USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=31 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 114 GLN : amide:sc= -1.26 X(o=-2.1,f=-2.4) USER MOD Set 1.2: A 121 THR OG1 : rot -23:sc= -0.824! USER MOD Set 2.1: A 91 THR OG1 : rot -26:sc= 0.913 USER MOD Set 2.2: A 93 CYS SG : rot 72:sc= -1.09! USER MOD Set 3.1: A 82 LYS NZ :NH3+ 176:sc= 0.00383 (180deg=0) USER MOD Set 3.2: A 84 TYR OH : rot 31:sc= 0.219 USER MOD Set 4.1: A 64 GLN : amide:sc= -0.2 X(o=-0.039,f=-0.02) USER MOD Set 4.2: A 70 THR OG1 : rot 90:sc= 0.161 USER MOD Set 5.1: A 45 GLN : amide:sc= 0.231 X(o=0.46,f=0.55) USER MOD Set 5.2: A 111 SER OG : rot 151:sc= 0.23 USER MOD Single : A 21 MET CE :methyl 159:sc= -0.241 (180deg=-0.86) USER MOD Single : A 27 GLN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 75:sc= 0.982 USER MOD Single : A 39 SER OG : rot -23:sc= 0.101 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc=-0.00593 (180deg=-0.0919) USER MOD Single : A 44 HIS : no HE2:sc= -0.13 X(o=-0.13,f=-0.35) USER MOD Single : A 46 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.49) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 61 MET CE :methyl -172:sc= -0.445 (180deg=-0.542) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.83! C(o=-2.8!,f=-1.8!) USER MOD Single : A 73 MET CE :methyl -158:sc= -0.14 (180deg=-0.565) USER MOD Single : A 74 SER OG : rot 76:sc= 1.22 USER MOD Single : A 78 SER OG : rot -160:sc= -0.337 USER MOD Single : A 86 SER OG : rot 39:sc= 0.327 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 158:sc= -0.58 USER MOD Single : A 105 ASN : amide:sc= 0.293 X(o=0.29,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -178:sc= -0.439 (180deg=-0.449) USER MOD Single : A 109 GLN :FLIP amide:sc= -1.15 F(o=-2.6!,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ -122:sc= 1.32 (180deg=0.246) USER MOD Single : A 115 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.765 K(o=0.76,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 135 THR OG1 : rot 56:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -0.864 14.448 -8.261 1.00 45.12 N ATOM 287 CA LEU A 20 -0.651 13.592 -7.085 1.00 54.54 C ATOM 288 C LEU A 20 0.786 13.063 -7.160 1.00 11.11 C ATOM 289 O LEU A 20 1.058 12.136 -7.908 1.00 33.11 O ATOM 290 CB LEU A 20 -1.665 12.403 -7.069 1.00 14.11 C ATOM 291 CG LEU A 20 -1.628 11.498 -5.799 1.00 4.44 C ATOM 292 CD1 LEU A 20 -2.268 12.209 -4.596 1.00 25.02 C ATOM 293 CD2 LEU A 20 -2.283 10.122 -6.056 1.00 2.12 C ATOM 0 HA LEU A 20 -0.808 14.163 -6.170 1.00 54.54 H new ATOM 0 HB2 LEU A 20 -2.672 12.807 -7.175 1.00 14.11 H new ATOM 0 HB3 LEU A 20 -1.478 11.779 -7.943 1.00 14.11 H new ATOM 0 HG LEU A 20 -0.581 11.313 -5.559 1.00 4.44 H new ATOM 0 HD11 LEU A 20 -2.229 11.556 -3.724 1.00 25.02 H new ATOM 0 HD12 LEU A 20 -1.723 13.129 -4.385 1.00 25.02 H new ATOM 0 HD13 LEU A 20 -3.307 12.447 -4.825 1.00 25.02 H new ATOM 0 HD21 LEU A 20 -2.237 9.522 -5.147 1.00 2.12 H new ATOM 0 HD22 LEU A 20 -3.324 10.263 -6.345 1.00 2.12 H new ATOM 0 HD23 LEU A 20 -1.750 9.609 -6.857 1.00 2.12 H new ATOM 305 N MET A 21 1.711 13.698 -6.426 1.00 42.21 N ATOM 306 CA MET A 21 3.137 13.332 -6.466 1.00 71.45 C ATOM 307 C MET A 21 3.493 12.633 -5.165 1.00 32.32 C ATOM 308 O MET A 21 3.758 13.295 -4.165 1.00 73.02 O ATOM 309 CB MET A 21 4.027 14.592 -6.659 1.00 50.03 C ATOM 310 CG MET A 21 3.765 15.392 -7.941 1.00 4.24 C ATOM 311 SD MET A 21 4.857 16.830 -8.098 1.00 44.13 S ATOM 312 CE MET A 21 6.480 16.063 -7.988 1.00 22.21 C ATOM 0 H MET A 21 1.497 14.470 -5.795 1.00 42.21 H new ATOM 0 HA MET A 21 3.316 12.666 -7.310 1.00 71.45 H new ATOM 0 HB2 MET A 21 3.884 15.252 -5.803 1.00 50.03 H new ATOM 0 HB3 MET A 21 5.072 14.283 -6.651 1.00 50.03 H new ATOM 0 HG2 MET A 21 3.900 14.742 -8.805 1.00 4.24 H new ATOM 0 HG3 MET A 21 2.727 15.725 -7.952 1.00 4.24 H new ATOM 0 HE1 MET A 21 7.226 16.725 -8.428 1.00 22.21 H new ATOM 0 HE2 MET A 21 6.727 15.883 -6.942 1.00 22.21 H new ATOM 0 HE3 MET A 21 6.472 15.116 -8.527 1.00 22.21 H new ATOM 322 N LEU A 22 3.516 11.294 -5.201 1.00 13.10 N ATOM 323 CA LEU A 22 3.773 10.460 -4.022 1.00 53.34 C ATOM 324 C LEU A 22 5.265 10.515 -3.698 1.00 32.53 C ATOM 325 O LEU A 22 6.078 10.079 -4.497 1.00 24.11 O ATOM 326 CB LEU A 22 3.314 9.000 -4.314 1.00 41.33 C ATOM 327 CG LEU A 22 1.814 8.843 -4.715 1.00 50.04 C ATOM 328 CD1 LEU A 22 1.501 7.407 -5.195 1.00 5.03 C ATOM 329 CD2 LEU A 22 0.881 9.273 -3.559 1.00 55.23 C ATOM 0 H LEU A 22 3.356 10.757 -6.054 1.00 13.10 H new ATOM 0 HA LEU A 22 3.213 10.827 -3.162 1.00 53.34 H new ATOM 0 HB2 LEU A 22 3.932 8.595 -5.115 1.00 41.33 H new ATOM 0 HB3 LEU A 22 3.502 8.393 -3.429 1.00 41.33 H new ATOM 0 HG LEU A 22 1.626 9.510 -5.556 1.00 50.04 H new ATOM 0 HD11 LEU A 22 0.448 7.335 -5.466 1.00 5.03 H new ATOM 0 HD12 LEU A 22 2.116 7.172 -6.064 1.00 5.03 H new ATOM 0 HD13 LEU A 22 1.719 6.700 -4.394 1.00 5.03 H new ATOM 0 HD21 LEU A 22 -0.158 9.153 -3.866 1.00 55.23 H new ATOM 0 HD22 LEU A 22 1.075 8.652 -2.685 1.00 55.23 H new ATOM 0 HD23 LEU A 22 1.068 10.318 -3.310 1.00 55.23 H new ATOM 409 N GLN A 27 10.194 8.401 6.695 1.00 3.43 N ATOM 410 CA GLN A 27 10.162 6.942 6.871 1.00 32.35 C ATOM 411 C GLN A 27 9.445 6.615 8.195 1.00 3.34 C ATOM 412 O GLN A 27 10.014 6.759 9.287 1.00 12.33 O ATOM 413 CB GLN A 27 11.604 6.335 6.775 1.00 40.54 C ATOM 414 CG GLN A 27 12.665 7.008 7.673 1.00 35.13 C ATOM 415 CD GLN A 27 14.090 6.446 7.527 1.00 54.54 C ATOM 416 OE1 GLN A 27 15.066 7.179 7.674 1.00 41.44 O ATOM 417 NE2 GLN A 27 14.222 5.146 7.280 1.00 54.14 N ATOM 0 HA GLN A 27 9.596 6.475 6.065 1.00 32.35 H new ATOM 0 HB2 GLN A 27 11.553 5.277 7.032 1.00 40.54 H new ATOM 0 HB3 GLN A 27 11.938 6.396 5.739 1.00 40.54 H new ATOM 0 HG2 GLN A 27 12.686 8.074 7.448 1.00 35.13 H new ATOM 0 HG3 GLN A 27 12.356 6.908 8.713 1.00 35.13 H new ATOM 0 HE21 GLN A 27 13.394 4.562 7.163 1.00 54.14 H new ATOM 0 HE22 GLN A 27 15.152 4.732 7.208 1.00 54.14 H new ATOM 426 N LEU A 28 8.158 6.243 8.078 1.00 64.41 N ATOM 427 CA LEU A 28 7.311 5.935 9.240 1.00 11.33 C ATOM 428 C LEU A 28 7.755 4.596 9.843 1.00 34.54 C ATOM 429 O LEU A 28 7.957 3.630 9.107 1.00 52.20 O ATOM 430 CB LEU A 28 5.808 5.880 8.830 1.00 33.04 C ATOM 431 CG LEU A 28 5.248 7.108 8.035 1.00 11.53 C ATOM 432 CD1 LEU A 28 3.720 6.996 7.847 1.00 12.04 C ATOM 433 CD2 LEU A 28 5.634 8.457 8.687 1.00 73.44 C ATOM 0 H LEU A 28 7.680 6.148 7.182 1.00 64.41 H new ATOM 0 HA LEU A 28 7.422 6.723 9.985 1.00 11.33 H new ATOM 0 HB2 LEU A 28 5.653 4.985 8.227 1.00 33.04 H new ATOM 0 HB3 LEU A 28 5.213 5.761 9.735 1.00 33.04 H new ATOM 0 HG LEU A 28 5.715 7.089 7.050 1.00 11.53 H new ATOM 0 HD11 LEU A 28 3.357 7.861 7.292 1.00 12.04 H new ATOM 0 HD12 LEU A 28 3.487 6.086 7.293 1.00 12.04 H new ATOM 0 HD13 LEU A 28 3.235 6.961 8.823 1.00 12.04 H new ATOM 0 HD21 LEU A 28 5.222 9.277 8.098 1.00 73.44 H new ATOM 0 HD22 LEU A 28 5.232 8.500 9.699 1.00 73.44 H new ATOM 0 HD23 LEU A 28 6.720 8.546 8.723 1.00 73.44 H new ATOM 445 N THR A 29 7.927 4.554 11.172 1.00 54.13 N ATOM 446 CA THR A 29 8.273 3.314 11.886 1.00 42.10 C ATOM 447 C THR A 29 7.069 2.360 11.866 1.00 11.35 C ATOM 448 O THR A 29 5.944 2.794 11.586 1.00 14.51 O ATOM 449 CB THR A 29 8.713 3.605 13.360 1.00 52.01 C ATOM 450 OG1 THR A 29 7.664 4.280 14.071 1.00 12.01 O ATOM 451 CG2 THR A 29 9.998 4.451 13.411 1.00 12.32 C ATOM 0 H THR A 29 7.832 5.369 11.778 1.00 54.13 H new ATOM 0 HA THR A 29 9.117 2.848 11.378 1.00 42.10 H new ATOM 0 HB THR A 29 8.917 2.646 13.835 1.00 52.01 H new ATOM 0 HG1 THR A 29 7.952 4.454 14.991 1.00 12.01 H new ATOM 0 HG21 THR A 29 10.273 4.633 14.450 1.00 12.32 H new ATOM 0 HG22 THR A 29 10.805 3.917 12.910 1.00 12.32 H new ATOM 0 HG23 THR A 29 9.827 5.403 12.909 1.00 12.32 H new ATOM 459 N ALA A 30 7.309 1.067 12.130 1.00 3.33 N ATOM 460 CA ALA A 30 6.229 0.068 12.270 1.00 45.43 C ATOM 461 C ALA A 30 5.240 0.491 13.373 1.00 13.24 C ATOM 462 O ALA A 30 4.031 0.361 13.201 1.00 60.52 O ATOM 463 CB ALA A 30 6.819 -1.329 12.546 1.00 61.13 C ATOM 0 H ALA A 30 8.246 0.683 12.252 1.00 3.33 H new ATOM 0 HA ALA A 30 5.676 0.016 11.332 1.00 45.43 H new ATOM 0 HB1 ALA A 30 6.010 -2.052 12.646 1.00 61.13 H new ATOM 0 HB2 ALA A 30 7.466 -1.621 11.719 1.00 61.13 H new ATOM 0 HB3 ALA A 30 7.399 -1.303 13.468 1.00 61.13 H new ATOM 469 N ASP A 31 5.784 1.064 14.465 1.00 32.32 N ATOM 470 CA ASP A 31 4.993 1.583 15.605 1.00 1.00 C ATOM 471 C ASP A 31 4.148 2.816 15.216 1.00 50.44 C ATOM 472 O ASP A 31 2.993 2.945 15.658 1.00 43.42 O ATOM 473 CB ASP A 31 5.934 1.943 16.779 1.00 71.15 C ATOM 474 CG ASP A 31 6.638 0.721 17.392 1.00 34.54 C ATOM 475 OD1 ASP A 31 6.007 0.002 18.201 1.00 2.15 O ATOM 476 OD2 ASP A 31 7.820 0.466 17.065 1.00 75.31 O ATOM 0 H ASP A 31 6.790 1.182 14.584 1.00 32.32 H new ATOM 0 HA ASP A 31 4.304 0.795 15.909 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.687 2.649 16.429 1.00 71.15 H new ATOM 0 HB3 ASP A 31 5.359 2.449 17.554 1.00 71.15 H new ATOM 481 N TYR A 32 4.737 3.729 14.411 1.00 23.43 N ATOM 482 CA TYR A 32 4.040 4.951 13.942 1.00 43.42 C ATOM 483 C TYR A 32 2.891 4.564 13.009 1.00 1.20 C ATOM 484 O TYR A 32 1.777 5.074 13.141 1.00 52.20 O ATOM 485 CB TYR A 32 5.009 5.916 13.200 1.00 23.31 C ATOM 486 CG TYR A 32 4.438 7.322 12.928 1.00 51.00 C ATOM 487 CD1 TYR A 32 3.698 7.611 11.772 1.00 23.13 C ATOM 488 CD2 TYR A 32 4.639 8.369 13.834 1.00 72.43 C ATOM 489 CE1 TYR A 32 3.185 8.876 11.539 1.00 65.25 C ATOM 490 CE2 TYR A 32 4.129 9.635 13.600 1.00 72.12 C ATOM 491 CZ TYR A 32 3.403 9.884 12.452 1.00 71.01 C ATOM 492 OH TYR A 32 2.879 11.142 12.227 1.00 2.41 O ATOM 0 H TYR A 32 5.695 3.643 14.071 1.00 23.43 H new ATOM 0 HA TYR A 32 3.651 5.470 14.818 1.00 43.42 H new ATOM 0 HB2 TYR A 32 5.920 6.017 13.789 1.00 23.31 H new ATOM 0 HB3 TYR A 32 5.292 5.464 12.249 1.00 23.31 H new ATOM 0 HD1 TYR A 32 3.524 6.829 11.047 1.00 23.13 H new ATOM 0 HD2 TYR A 32 5.204 8.186 14.736 1.00 72.43 H new ATOM 0 HE1 TYR A 32 2.615 9.072 10.643 1.00 65.25 H new ATOM 0 HE2 TYR A 32 4.299 10.427 14.315 1.00 72.12 H new ATOM 0 HH TYR A 32 3.124 11.736 12.967 1.00 2.41 H new ATOM 502 N PHE A 33 3.209 3.661 12.058 1.00 20.11 N ATOM 503 CA PHE A 33 2.247 3.140 11.075 1.00 51.25 C ATOM 504 C PHE A 33 1.078 2.466 11.807 1.00 12.13 C ATOM 505 O PHE A 33 -0.065 2.701 11.446 1.00 55.23 O ATOM 506 CB PHE A 33 2.928 2.145 10.088 1.00 11.43 C ATOM 507 CG PHE A 33 2.071 1.739 8.863 1.00 14.04 C ATOM 508 CD1 PHE A 33 0.930 0.943 8.996 1.00 24.24 C ATOM 509 CD2 PHE A 33 2.410 2.154 7.578 1.00 23.33 C ATOM 510 CE1 PHE A 33 0.171 0.588 7.904 1.00 0.21 C ATOM 511 CE2 PHE A 33 1.651 1.786 6.486 1.00 3.21 C ATOM 512 CZ PHE A 33 0.529 1.008 6.646 1.00 61.22 C ATOM 0 H PHE A 33 4.147 3.273 11.953 1.00 20.11 H new ATOM 0 HA PHE A 33 1.867 3.974 10.485 1.00 51.25 H new ATOM 0 HB2 PHE A 33 3.856 2.591 9.730 1.00 11.43 H new ATOM 0 HB3 PHE A 33 3.199 1.243 10.636 1.00 11.43 H new ATOM 0 HD1 PHE A 33 0.637 0.599 9.977 1.00 24.24 H new ATOM 0 HD2 PHE A 33 3.282 2.775 7.433 1.00 23.33 H new ATOM 0 HE1 PHE A 33 -0.709 -0.023 8.037 1.00 0.21 H new ATOM 0 HE2 PHE A 33 1.941 2.112 5.498 1.00 3.21 H new ATOM 0 HZ PHE A 33 -0.066 0.729 5.789 1.00 61.22 H new ATOM 522 N GLU A 34 1.393 1.641 12.833 1.00 44.11 N ATOM 523 CA GLU A 34 0.375 0.977 13.668 1.00 62.02 C ATOM 524 C GLU A 34 -0.591 2.011 14.270 1.00 62.22 C ATOM 525 O GLU A 34 -1.801 1.906 14.081 1.00 2.33 O ATOM 526 CB GLU A 34 1.024 0.145 14.808 1.00 73.44 C ATOM 527 CG GLU A 34 1.596 -1.217 14.394 1.00 52.32 C ATOM 528 CD GLU A 34 0.528 -2.199 13.889 1.00 73.32 C ATOM 529 OE1 GLU A 34 -0.379 -2.558 14.675 1.00 53.43 O ATOM 530 OE2 GLU A 34 0.602 -2.639 12.717 1.00 53.34 O ATOM 0 H GLU A 34 2.352 1.421 13.100 1.00 44.11 H new ATOM 0 HA GLU A 34 -0.180 0.298 13.021 1.00 62.02 H new ATOM 0 HB2 GLU A 34 1.825 0.735 15.253 1.00 73.44 H new ATOM 0 HB3 GLU A 34 0.277 -0.016 15.586 1.00 73.44 H new ATOM 0 HG2 GLU A 34 2.340 -1.068 13.612 1.00 52.32 H new ATOM 0 HG3 GLU A 34 2.113 -1.660 15.246 1.00 52.32 H new ATOM 537 N LYS A 35 -0.023 3.025 14.953 1.00 63.32 N ATOM 538 CA LYS A 35 -0.802 4.097 15.598 1.00 62.52 C ATOM 539 C LYS A 35 -1.756 4.781 14.594 1.00 54.13 C ATOM 540 O LYS A 35 -2.960 4.858 14.834 1.00 25.52 O ATOM 541 CB LYS A 35 0.147 5.159 16.227 1.00 42.45 C ATOM 542 CG LYS A 35 -0.576 6.419 16.770 1.00 35.53 C ATOM 543 CD LYS A 35 0.376 7.438 17.428 1.00 43.35 C ATOM 544 CE LYS A 35 1.033 6.913 18.714 1.00 3.25 C ATOM 545 NZ LYS A 35 1.989 7.902 19.280 1.00 64.13 N ATOM 0 H LYS A 35 0.985 3.122 15.072 1.00 63.32 H new ATOM 0 HA LYS A 35 -1.401 3.639 16.385 1.00 62.52 H new ATOM 0 HB2 LYS A 35 0.704 4.695 17.041 1.00 42.45 H new ATOM 0 HB3 LYS A 35 0.876 5.467 15.477 1.00 42.45 H new ATOM 0 HG2 LYS A 35 -1.106 6.905 15.951 1.00 35.53 H new ATOM 0 HG3 LYS A 35 -1.327 6.112 17.498 1.00 35.53 H new ATOM 0 HD2 LYS A 35 1.155 7.710 16.715 1.00 43.35 H new ATOM 0 HD3 LYS A 35 -0.179 8.348 17.657 1.00 43.35 H new ATOM 0 HE2 LYS A 35 0.263 6.687 19.451 1.00 3.25 H new ATOM 0 HE3 LYS A 35 1.556 5.980 18.502 1.00 3.25 H new ATOM 0 HZ1 LYS A 35 2.415 7.516 20.147 1.00 64.13 H new ATOM 0 HZ2 LYS A 35 2.737 8.099 18.585 1.00 64.13 H new ATOM 0 HZ3 LYS A 35 1.485 8.783 19.504 1.00 64.13 H new ATOM 559 N THR A 36 -1.196 5.210 13.452 1.00 33.03 N ATOM 560 CA THR A 36 -1.919 6.013 12.450 1.00 70.30 C ATOM 561 C THR A 36 -2.989 5.158 11.723 1.00 54.41 C ATOM 562 O THR A 36 -4.101 5.616 11.495 1.00 21.21 O ATOM 563 CB THR A 36 -0.919 6.654 11.421 1.00 44.11 C ATOM 564 OG1 THR A 36 0.221 7.192 12.117 1.00 43.44 O ATOM 565 CG2 THR A 36 -1.560 7.797 10.603 1.00 33.25 C ATOM 0 H THR A 36 -0.229 5.011 13.196 1.00 33.03 H new ATOM 0 HA THR A 36 -2.432 6.821 12.971 1.00 70.30 H new ATOM 0 HB THR A 36 -0.627 5.859 10.735 1.00 44.11 H new ATOM 0 HG1 THR A 36 0.804 6.459 12.406 1.00 43.44 H new ATOM 0 HG21 THR A 36 -0.825 8.204 9.908 1.00 33.25 H new ATOM 0 HG22 THR A 36 -2.413 7.411 10.045 1.00 33.25 H new ATOM 0 HG23 THR A 36 -1.895 8.584 11.278 1.00 33.25 H new ATOM 573 N TRP A 37 -2.631 3.895 11.398 1.00 4.25 N ATOM 574 CA TRP A 37 -3.522 2.926 10.707 1.00 34.11 C ATOM 575 C TRP A 37 -4.787 2.679 11.532 1.00 71.50 C ATOM 576 O TRP A 37 -5.904 2.766 11.023 1.00 10.32 O ATOM 577 CB TRP A 37 -2.762 1.589 10.463 1.00 10.24 C ATOM 578 CG TRP A 37 -3.566 0.490 9.782 1.00 51.00 C ATOM 579 CD1 TRP A 37 -4.282 -0.507 10.387 1.00 60.02 C ATOM 580 CD2 TRP A 37 -3.717 0.276 8.374 1.00 24.20 C ATOM 581 NE1 TRP A 37 -4.883 -1.296 9.446 1.00 23.33 N ATOM 582 CE2 TRP A 37 -4.546 -0.843 8.206 1.00 64.24 C ATOM 583 CE3 TRP A 37 -3.242 0.930 7.242 1.00 3.40 C ATOM 584 CZ2 TRP A 37 -4.905 -1.320 6.950 1.00 54.01 C ATOM 585 CZ3 TRP A 37 -3.596 0.458 5.997 1.00 14.41 C ATOM 586 CH2 TRP A 37 -4.421 -0.657 5.859 1.00 64.53 C ATOM 0 H TRP A 37 -1.709 3.513 11.608 1.00 4.25 H new ATOM 0 HA TRP A 37 -3.818 3.344 9.745 1.00 34.11 H new ATOM 0 HB2 TRP A 37 -1.881 1.798 9.857 1.00 10.24 H new ATOM 0 HB3 TRP A 37 -2.407 1.213 11.423 1.00 10.24 H new ATOM 0 HD1 TRP A 37 -4.361 -0.650 11.455 1.00 60.02 H new ATOM 0 HE1 TRP A 37 -5.486 -2.095 9.641 1.00 23.33 H new ATOM 0 HE3 TRP A 37 -2.604 1.796 7.338 1.00 3.40 H new ATOM 0 HZ2 TRP A 37 -5.544 -2.184 6.841 1.00 54.01 H new ATOM 0 HZ3 TRP A 37 -3.228 0.960 5.114 1.00 14.41 H new ATOM 0 HH2 TRP A 37 -4.682 -1.003 4.870 1.00 64.53 H new ATOM 597 N LEU A 38 -4.575 2.400 12.816 1.00 1.23 N ATOM 598 CA LEU A 38 -5.642 2.082 13.769 1.00 71.04 C ATOM 599 C LEU A 38 -6.387 3.365 14.221 1.00 13.24 C ATOM 600 O LEU A 38 -7.500 3.288 14.747 1.00 34.54 O ATOM 601 CB LEU A 38 -5.001 1.299 14.952 1.00 61.31 C ATOM 602 CG LEU A 38 -4.234 -0.013 14.534 1.00 43.02 C ATOM 603 CD1 LEU A 38 -3.365 -0.588 15.681 1.00 43.40 C ATOM 604 CD2 LEU A 38 -5.203 -1.074 13.975 1.00 11.14 C ATOM 0 H LEU A 38 -3.644 2.388 13.232 1.00 1.23 H new ATOM 0 HA LEU A 38 -6.404 1.456 13.305 1.00 71.04 H new ATOM 0 HB2 LEU A 38 -4.307 1.959 15.473 1.00 61.31 H new ATOM 0 HB3 LEU A 38 -5.785 1.035 15.662 1.00 61.31 H new ATOM 0 HG LEU A 38 -3.546 0.268 13.737 1.00 43.02 H new ATOM 0 HD11 LEU A 38 -2.860 -1.491 15.337 1.00 43.40 H new ATOM 0 HD12 LEU A 38 -2.623 0.152 15.981 1.00 43.40 H new ATOM 0 HD13 LEU A 38 -4.001 -0.830 16.533 1.00 43.40 H new ATOM 0 HD21 LEU A 38 -4.643 -1.967 13.696 1.00 11.14 H new ATOM 0 HD22 LEU A 38 -5.940 -1.331 14.736 1.00 11.14 H new ATOM 0 HD23 LEU A 38 -5.712 -0.676 13.097 1.00 11.14 H new ATOM 616 N SER A 39 -5.754 4.541 14.002 1.00 33.43 N ATOM 617 CA SER A 39 -6.373 5.865 14.233 1.00 50.54 C ATOM 618 C SER A 39 -7.247 6.316 13.046 1.00 64.12 C ATOM 619 O SER A 39 -8.073 7.222 13.204 1.00 33.33 O ATOM 620 CB SER A 39 -5.282 6.930 14.516 1.00 24.02 C ATOM 621 OG SER A 39 -5.839 8.201 14.853 1.00 52.25 O ATOM 0 H SER A 39 -4.795 4.597 13.659 1.00 33.43 H new ATOM 0 HA SER A 39 -7.022 5.766 15.103 1.00 50.54 H new ATOM 0 HB2 SER A 39 -4.646 6.587 15.332 1.00 24.02 H new ATOM 0 HB3 SER A 39 -4.645 7.036 13.638 1.00 24.02 H new ATOM 0 HG SER A 39 -6.747 8.267 14.490 1.00 52.25 H new ATOM 627 N LEU A 40 -7.050 5.721 11.855 1.00 42.43 N ATOM 628 CA LEU A 40 -7.825 6.065 10.637 1.00 35.34 C ATOM 629 C LEU A 40 -8.742 4.879 10.271 1.00 21.03 C ATOM 630 O LEU A 40 -8.486 3.738 10.677 1.00 3.15 O ATOM 631 CB LEU A 40 -6.861 6.389 9.454 1.00 2.30 C ATOM 632 CG LEU A 40 -5.786 7.495 9.716 1.00 43.51 C ATOM 633 CD1 LEU A 40 -4.784 7.591 8.546 1.00 60.11 C ATOM 634 CD2 LEU A 40 -6.418 8.867 10.032 1.00 64.22 C ATOM 0 H LEU A 40 -6.354 4.991 11.705 1.00 42.43 H new ATOM 0 HA LEU A 40 -8.433 6.948 10.832 1.00 35.34 H new ATOM 0 HB2 LEU A 40 -6.345 5.471 9.172 1.00 2.30 H new ATOM 0 HB3 LEU A 40 -7.462 6.693 8.597 1.00 2.30 H new ATOM 0 HG LEU A 40 -5.234 7.193 10.606 1.00 43.51 H new ATOM 0 HD11 LEU A 40 -4.050 8.368 8.758 1.00 60.11 H new ATOM 0 HD12 LEU A 40 -4.275 6.635 8.424 1.00 60.11 H new ATOM 0 HD13 LEU A 40 -5.318 7.838 7.629 1.00 60.11 H new ATOM 0 HD21 LEU A 40 -5.630 9.599 10.206 1.00 64.22 H new ATOM 0 HD22 LEU A 40 -7.032 9.187 9.190 1.00 64.22 H new ATOM 0 HD23 LEU A 40 -7.040 8.785 10.924 1.00 64.22 H new ATOM 646 N LYS A 41 -9.802 5.144 9.491 1.00 34.42 N ATOM 647 CA LYS A 41 -10.734 4.104 9.013 1.00 31.32 C ATOM 648 C LYS A 41 -10.426 3.796 7.542 1.00 72.51 C ATOM 649 O LYS A 41 -9.881 4.653 6.846 1.00 65.02 O ATOM 650 CB LYS A 41 -12.206 4.571 9.173 1.00 45.33 C ATOM 651 CG LYS A 41 -12.609 4.924 10.621 1.00 62.23 C ATOM 652 CD LYS A 41 -14.091 5.344 10.744 1.00 70.44 C ATOM 653 CE LYS A 41 -14.474 5.730 12.181 1.00 73.14 C ATOM 654 NZ LYS A 41 -13.709 6.908 12.672 1.00 63.41 N ATOM 0 H LYS A 41 -10.039 6.084 9.173 1.00 34.42 H new ATOM 0 HA LYS A 41 -10.604 3.201 9.610 1.00 31.32 H new ATOM 0 HB2 LYS A 41 -12.368 5.444 8.541 1.00 45.33 H new ATOM 0 HB3 LYS A 41 -12.866 3.785 8.807 1.00 45.33 H new ATOM 0 HG2 LYS A 41 -12.425 4.064 11.265 1.00 62.23 H new ATOM 0 HG3 LYS A 41 -11.975 5.734 10.983 1.00 62.23 H new ATOM 0 HD2 LYS A 41 -14.283 6.188 10.081 1.00 70.44 H new ATOM 0 HD3 LYS A 41 -14.727 4.524 10.409 1.00 70.44 H new ATOM 0 HE2 LYS A 41 -15.541 5.949 12.224 1.00 73.14 H new ATOM 0 HE3 LYS A 41 -14.296 4.882 12.842 1.00 73.14 H new ATOM 0 HZ1 LYS A 41 -14.104 7.225 13.580 1.00 63.41 H new ATOM 0 HZ2 LYS A 41 -12.711 6.644 12.802 1.00 63.41 H new ATOM 0 HZ3 LYS A 41 -13.776 7.679 11.978 1.00 63.41 H new ATOM 668 N VAL A 42 -10.750 2.568 7.086 1.00 42.40 N ATOM 669 CA VAL A 42 -10.551 2.144 5.683 1.00 25.40 C ATOM 670 C VAL A 42 -11.347 3.068 4.731 1.00 71.21 C ATOM 671 O VAL A 42 -12.562 3.219 4.885 1.00 4.13 O ATOM 672 CB VAL A 42 -10.977 0.635 5.471 1.00 62.24 C ATOM 673 CG1 VAL A 42 -10.746 0.174 4.007 1.00 33.34 C ATOM 674 CG2 VAL A 42 -10.225 -0.285 6.464 1.00 54.25 C ATOM 0 H VAL A 42 -11.156 1.843 7.678 1.00 42.40 H new ATOM 0 HA VAL A 42 -9.489 2.225 5.453 1.00 25.40 H new ATOM 0 HB VAL A 42 -12.046 0.561 5.670 1.00 62.24 H new ATOM 0 HG11 VAL A 42 -11.050 -0.867 3.901 1.00 33.34 H new ATOM 0 HG12 VAL A 42 -11.336 0.795 3.333 1.00 33.34 H new ATOM 0 HG13 VAL A 42 -9.689 0.270 3.758 1.00 33.34 H new ATOM 0 HG21 VAL A 42 -10.530 -1.319 6.304 1.00 54.25 H new ATOM 0 HG22 VAL A 42 -9.151 -0.194 6.302 1.00 54.25 H new ATOM 0 HG23 VAL A 42 -10.464 0.010 7.486 1.00 54.25 H new ATOM 684 N ALA A 43 -10.632 3.693 3.782 1.00 3.42 N ATOM 685 CA ALA A 43 -11.218 4.616 2.792 1.00 53.10 C ATOM 686 C ALA A 43 -11.787 3.813 1.621 1.00 61.32 C ATOM 687 O ALA A 43 -12.919 4.043 1.176 1.00 55.53 O ATOM 688 CB ALA A 43 -10.155 5.619 2.310 1.00 64.51 C ATOM 0 H ALA A 43 -9.625 3.573 3.678 1.00 3.42 H new ATOM 0 HA ALA A 43 -12.028 5.181 3.253 1.00 53.10 H new ATOM 0 HB1 ALA A 43 -10.598 6.296 1.579 1.00 64.51 H new ATOM 0 HB2 ALA A 43 -9.785 6.194 3.159 1.00 64.51 H new ATOM 0 HB3 ALA A 43 -9.328 5.079 1.849 1.00 64.51 H new ATOM 694 N HIS A 44 -10.994 2.843 1.162 1.00 73.03 N ATOM 695 CA HIS A 44 -11.385 1.898 0.107 1.00 64.04 C ATOM 696 C HIS A 44 -10.587 0.604 0.286 1.00 30.33 C ATOM 697 O HIS A 44 -9.468 0.630 0.806 1.00 74.04 O ATOM 698 CB HIS A 44 -11.139 2.516 -1.302 1.00 40.11 C ATOM 699 CG HIS A 44 -11.683 1.708 -2.469 1.00 44.43 C ATOM 700 ND1 HIS A 44 -12.948 1.930 -2.968 1.00 74.12 N ATOM 701 CD2 HIS A 44 -11.095 0.720 -3.200 1.00 10.02 C ATOM 702 CE1 HIS A 44 -13.096 1.084 -3.973 1.00 33.21 C ATOM 703 NE2 HIS A 44 -12.002 0.334 -4.153 1.00 63.10 N ATOM 0 H HIS A 44 -10.050 2.687 1.515 1.00 73.03 H new ATOM 0 HA HIS A 44 -12.450 1.679 0.185 1.00 64.04 H new ATOM 0 HB2 HIS A 44 -11.588 3.509 -1.328 1.00 40.11 H new ATOM 0 HB3 HIS A 44 -10.066 2.647 -1.441 1.00 40.11 H new ATOM 0 HD1 HIS A 44 -13.631 2.609 -2.631 1.00 74.12 H new ATOM 0 HD2 HIS A 44 -10.103 0.317 -3.056 1.00 10.02 H new ATOM 0 HE1 HIS A 44 -13.990 1.007 -4.575 1.00 33.21 H new ATOM 711 N GLN A 45 -11.158 -0.520 -0.154 1.00 32.23 N ATOM 712 CA GLN A 45 -10.489 -1.820 -0.123 1.00 51.21 C ATOM 713 C GLN A 45 -10.886 -2.597 -1.379 1.00 43.22 C ATOM 714 O GLN A 45 -12.072 -2.856 -1.610 1.00 30.01 O ATOM 715 CB GLN A 45 -10.833 -2.629 1.159 1.00 2.31 C ATOM 716 CG GLN A 45 -9.997 -3.918 1.315 1.00 30.25 C ATOM 717 CD GLN A 45 -10.350 -4.749 2.548 1.00 30.53 C ATOM 718 OE1 GLN A 45 -11.501 -4.797 2.979 1.00 2.32 O ATOM 719 NE2 GLN A 45 -9.363 -5.409 3.126 1.00 34.13 N ATOM 0 H GLN A 45 -12.100 -0.553 -0.543 1.00 32.23 H new ATOM 0 HA GLN A 45 -9.411 -1.660 -0.103 1.00 51.21 H new ATOM 0 HB2 GLN A 45 -10.676 -1.996 2.032 1.00 2.31 H new ATOM 0 HB3 GLN A 45 -11.891 -2.891 1.141 1.00 2.31 H new ATOM 0 HG2 GLN A 45 -10.130 -4.534 0.426 1.00 30.25 H new ATOM 0 HG3 GLN A 45 -8.942 -3.650 1.362 1.00 30.25 H new ATOM 0 HE21 GLN A 45 -8.418 -5.350 2.746 1.00 34.13 H new ATOM 0 HE22 GLN A 45 -9.545 -5.978 3.953 1.00 34.13 H new ATOM 728 N GLN A 46 -9.885 -2.984 -2.167 1.00 34.20 N ATOM 729 CA GLN A 46 -10.074 -3.624 -3.466 1.00 21.04 C ATOM 730 C GLN A 46 -9.168 -4.848 -3.550 1.00 11.42 C ATOM 731 O GLN A 46 -8.006 -4.775 -3.178 1.00 1.13 O ATOM 732 CB GLN A 46 -9.727 -2.643 -4.611 1.00 4.23 C ATOM 733 CG GLN A 46 -9.980 -3.224 -6.019 1.00 31.45 C ATOM 734 CD GLN A 46 -9.468 -2.344 -7.157 1.00 54.04 C ATOM 735 OE1 GLN A 46 -9.411 -1.123 -7.050 1.00 64.13 O ATOM 736 NE2 GLN A 46 -9.120 -2.964 -8.260 1.00 64.43 N ATOM 0 H GLN A 46 -8.904 -2.859 -1.916 1.00 34.20 H new ATOM 0 HA GLN A 46 -11.118 -3.921 -3.570 1.00 21.04 H new ATOM 0 HB2 GLN A 46 -10.316 -1.734 -4.491 1.00 4.23 H new ATOM 0 HB3 GLN A 46 -8.679 -2.357 -4.528 1.00 4.23 H new ATOM 0 HG2 GLN A 46 -9.504 -4.202 -6.088 1.00 31.45 H new ATOM 0 HG3 GLN A 46 -11.051 -3.381 -6.149 1.00 31.45 H new ATOM 0 HE21 GLN A 46 -9.180 -3.981 -8.314 1.00 64.43 H new ATOM 0 HE22 GLN A 46 -8.789 -2.429 -9.063 1.00 64.43 H new ATOM 745 N VAL A 47 -9.702 -5.964 -4.046 1.00 72.25 N ATOM 746 CA VAL A 47 -8.928 -7.183 -4.282 1.00 10.20 C ATOM 747 C VAL A 47 -8.466 -7.202 -5.749 1.00 35.11 C ATOM 748 O VAL A 47 -9.185 -6.728 -6.634 1.00 3.21 O ATOM 749 CB VAL A 47 -9.785 -8.469 -3.954 1.00 61.45 C ATOM 750 CG1 VAL A 47 -8.978 -9.766 -4.184 1.00 73.41 C ATOM 751 CG2 VAL A 47 -10.337 -8.402 -2.508 1.00 2.10 C ATOM 0 H VAL A 47 -10.687 -6.048 -4.296 1.00 72.25 H new ATOM 0 HA VAL A 47 -8.060 -7.191 -3.623 1.00 10.20 H new ATOM 0 HB VAL A 47 -10.630 -8.490 -4.642 1.00 61.45 H new ATOM 0 HG11 VAL A 47 -9.601 -10.629 -3.948 1.00 73.41 H new ATOM 0 HG12 VAL A 47 -8.664 -9.819 -5.227 1.00 73.41 H new ATOM 0 HG13 VAL A 47 -8.099 -9.766 -3.540 1.00 73.41 H new ATOM 0 HG21 VAL A 47 -10.924 -9.296 -2.301 1.00 2.10 H new ATOM 0 HG22 VAL A 47 -9.507 -8.342 -1.804 1.00 2.10 H new ATOM 0 HG23 VAL A 47 -10.969 -7.520 -2.400 1.00 2.10 H new ATOM 761 N LEU A 48 -7.248 -7.703 -5.989 1.00 72.31 N ATOM 762 CA LEU A 48 -6.721 -7.991 -7.329 1.00 52.25 C ATOM 763 C LEU A 48 -6.172 -9.429 -7.324 1.00 71.31 C ATOM 764 O LEU A 48 -5.484 -9.807 -6.378 1.00 62.14 O ATOM 765 CB LEU A 48 -5.606 -6.980 -7.731 1.00 2.33 C ATOM 766 CG LEU A 48 -6.072 -5.509 -7.958 1.00 51.10 C ATOM 767 CD1 LEU A 48 -4.873 -4.585 -8.251 1.00 15.43 C ATOM 768 CD2 LEU A 48 -7.136 -5.421 -9.081 1.00 72.02 C ATOM 0 H LEU A 48 -6.588 -7.924 -5.243 1.00 72.31 H new ATOM 0 HA LEU A 48 -7.519 -7.891 -8.065 1.00 52.25 H new ATOM 0 HB2 LEU A 48 -4.842 -6.983 -6.954 1.00 2.33 H new ATOM 0 HB3 LEU A 48 -5.132 -7.336 -8.646 1.00 2.33 H new ATOM 0 HG LEU A 48 -6.539 -5.165 -7.035 1.00 51.10 H new ATOM 0 HD11 LEU A 48 -5.228 -3.566 -8.405 1.00 15.43 H new ATOM 0 HD12 LEU A 48 -4.183 -4.605 -7.407 1.00 15.43 H new ATOM 0 HD13 LEU A 48 -4.359 -4.930 -9.148 1.00 15.43 H new ATOM 0 HD21 LEU A 48 -7.440 -4.383 -9.214 1.00 72.02 H new ATOM 0 HD22 LEU A 48 -6.714 -5.798 -10.013 1.00 72.02 H new ATOM 0 HD23 LEU A 48 -8.004 -6.021 -8.807 1.00 72.02 H new ATOM 780 N PRO A 49 -6.456 -10.254 -8.380 1.00 33.44 N ATOM 781 CA PRO A 49 -6.010 -11.664 -8.423 1.00 21.40 C ATOM 782 C PRO A 49 -4.497 -11.770 -8.708 1.00 2.15 C ATOM 783 O PRO A 49 -3.907 -10.888 -9.338 1.00 12.42 O ATOM 784 CB PRO A 49 -6.867 -12.259 -9.562 1.00 71.15 C ATOM 785 CG PRO A 49 -7.132 -11.107 -10.486 1.00 31.44 C ATOM 786 CD PRO A 49 -7.210 -9.872 -9.614 1.00 75.41 C ATOM 0 HA PRO A 49 -6.141 -12.192 -7.478 1.00 21.40 H new ATOM 0 HB2 PRO A 49 -6.340 -13.064 -10.074 1.00 71.15 H new ATOM 0 HB3 PRO A 49 -7.796 -12.680 -9.179 1.00 71.15 H new ATOM 0 HG2 PRO A 49 -6.337 -11.011 -11.226 1.00 31.44 H new ATOM 0 HG3 PRO A 49 -8.062 -11.255 -11.035 1.00 31.44 H new ATOM 0 HD2 PRO A 49 -6.762 -9.008 -10.104 1.00 75.41 H new ATOM 0 HD3 PRO A 49 -8.243 -9.609 -9.386 1.00 75.41 H new ATOM 794 N TRP A 50 -3.872 -12.842 -8.225 1.00 24.05 N ATOM 795 CA TRP A 50 -2.445 -13.121 -8.455 1.00 34.10 C ATOM 796 C TRP A 50 -2.333 -14.482 -9.170 1.00 64.31 C ATOM 797 O TRP A 50 -3.237 -15.315 -9.054 1.00 71.44 O ATOM 798 CB TRP A 50 -1.687 -13.097 -7.099 1.00 44.03 C ATOM 799 CG TRP A 50 -0.188 -12.939 -7.242 1.00 73.24 C ATOM 800 CD1 TRP A 50 0.744 -13.928 -7.351 1.00 13.42 C ATOM 801 CD2 TRP A 50 0.546 -11.704 -7.282 1.00 2.21 C ATOM 802 NE1 TRP A 50 1.991 -13.389 -7.518 1.00 12.11 N ATOM 803 CE2 TRP A 50 1.902 -12.030 -7.453 1.00 75.24 C ATOM 804 CE3 TRP A 50 0.189 -10.356 -7.196 1.00 44.23 C ATOM 805 CZ2 TRP A 50 2.896 -11.066 -7.538 1.00 4.13 C ATOM 806 CZ3 TRP A 50 1.181 -9.398 -7.274 1.00 71.41 C ATOM 807 CH2 TRP A 50 2.519 -9.759 -7.443 1.00 53.00 C ATOM 0 H TRP A 50 -4.340 -13.550 -7.658 1.00 24.05 H new ATOM 0 HA TRP A 50 -1.987 -12.361 -9.088 1.00 34.10 H new ATOM 0 HB2 TRP A 50 -2.073 -12.279 -6.491 1.00 44.03 H new ATOM 0 HB3 TRP A 50 -1.896 -14.021 -6.560 1.00 44.03 H new ATOM 0 HD1 TRP A 50 0.529 -14.986 -7.311 1.00 13.42 H new ATOM 0 HE1 TRP A 50 2.850 -13.919 -7.667 1.00 12.11 H new ATOM 0 HE3 TRP A 50 -0.844 -10.068 -7.071 1.00 44.23 H new ATOM 0 HZ2 TRP A 50 3.931 -11.341 -7.675 1.00 4.13 H new ATOM 0 HZ3 TRP A 50 0.917 -8.353 -7.203 1.00 71.41 H new ATOM 0 HH2 TRP A 50 3.272 -8.987 -7.500 1.00 53.00 H new ATOM 864 N PHE A 54 4.114 -16.415 -6.167 1.00 32.31 N ATOM 865 CA PHE A 54 4.066 -15.036 -5.653 1.00 54.34 C ATOM 866 C PHE A 54 5.432 -14.354 -5.826 1.00 63.32 C ATOM 867 O PHE A 54 6.475 -15.016 -5.753 1.00 43.15 O ATOM 868 CB PHE A 54 3.615 -14.998 -4.175 1.00 74.22 C ATOM 869 CG PHE A 54 3.344 -13.577 -3.679 1.00 2.00 C ATOM 870 CD1 PHE A 54 2.254 -12.867 -4.168 1.00 41.31 C ATOM 871 CD2 PHE A 54 4.196 -12.934 -2.792 1.00 43.41 C ATOM 872 CE1 PHE A 54 2.015 -11.570 -3.780 1.00 33.52 C ATOM 873 CE2 PHE A 54 3.966 -11.631 -2.415 1.00 32.22 C ATOM 874 CZ PHE A 54 2.873 -10.949 -2.908 1.00 54.53 C ATOM 0 HA PHE A 54 3.326 -14.486 -6.234 1.00 54.34 H new ATOM 0 HB2 PHE A 54 2.712 -15.598 -4.059 1.00 74.22 H new ATOM 0 HB3 PHE A 54 4.384 -15.456 -3.553 1.00 74.22 H new ATOM 0 HD1 PHE A 54 1.582 -13.343 -4.866 1.00 41.31 H new ATOM 0 HD2 PHE A 54 5.049 -13.462 -2.393 1.00 43.41 H new ATOM 0 HE1 PHE A 54 1.154 -11.041 -4.161 1.00 33.52 H new ATOM 0 HE2 PHE A 54 4.643 -11.141 -1.731 1.00 32.22 H new ATOM 0 HZ PHE A 54 2.693 -9.927 -2.608 1.00 54.53 H new ATOM 884 N HIS A 55 5.421 -13.020 -6.063 1.00 73.24 N ATOM 885 CA HIS A 55 6.639 -12.253 -6.398 1.00 74.43 C ATOM 886 C HIS A 55 6.795 -11.011 -5.480 1.00 74.00 C ATOM 887 O HIS A 55 6.365 -9.916 -5.848 1.00 35.24 O ATOM 888 CB HIS A 55 6.602 -11.838 -7.899 1.00 11.43 C ATOM 889 CG HIS A 55 6.420 -12.994 -8.849 1.00 42.30 C ATOM 890 ND1 HIS A 55 5.418 -13.056 -9.790 1.00 34.31 N ATOM 891 CD2 HIS A 55 7.113 -14.151 -8.975 1.00 33.42 C ATOM 892 CE1 HIS A 55 5.502 -14.197 -10.444 1.00 74.40 C ATOM 893 NE2 HIS A 55 6.519 -14.878 -9.968 1.00 52.54 N ATOM 0 H HIS A 55 4.574 -12.452 -6.027 1.00 73.24 H new ATOM 0 HA HIS A 55 7.508 -12.889 -6.229 1.00 74.43 H new ATOM 0 HB2 HIS A 55 5.790 -11.126 -8.049 1.00 11.43 H new ATOM 0 HB3 HIS A 55 7.529 -11.321 -8.146 1.00 11.43 H new ATOM 0 HD2 HIS A 55 7.977 -14.445 -8.397 1.00 33.42 H new ATOM 0 HE1 HIS A 55 4.845 -14.518 -11.238 1.00 74.40 H new ATOM 0 HE2 HIS A 55 6.817 -15.800 -10.288 1.00 52.54 H new ATOM 902 N PRO A 56 7.392 -11.171 -4.250 1.00 64.24 N ATOM 903 CA PRO A 56 7.648 -10.035 -3.332 1.00 34.11 C ATOM 904 C PRO A 56 8.854 -9.171 -3.773 1.00 74.52 C ATOM 905 O PRO A 56 8.944 -8.006 -3.397 1.00 40.30 O ATOM 906 CB PRO A 56 7.901 -10.712 -1.952 1.00 33.21 C ATOM 907 CG PRO A 56 7.653 -12.186 -2.160 1.00 34.40 C ATOM 908 CD PRO A 56 7.838 -12.447 -3.637 1.00 5.24 C ATOM 0 HA PRO A 56 6.812 -9.336 -3.312 1.00 34.11 H new ATOM 0 HB2 PRO A 56 8.920 -10.532 -1.610 1.00 33.21 H new ATOM 0 HB3 PRO A 56 7.234 -10.308 -1.191 1.00 33.21 H new ATOM 0 HG2 PRO A 56 8.348 -12.784 -1.570 1.00 34.40 H new ATOM 0 HG3 PRO A 56 6.647 -12.459 -1.841 1.00 34.40 H new ATOM 0 HD2 PRO A 56 8.876 -12.673 -3.882 1.00 5.24 H new ATOM 0 HD3 PRO A 56 7.239 -13.291 -3.978 1.00 5.24 H new ATOM 916 N ASP A 57 9.786 -9.772 -4.560 1.00 50.51 N ATOM 917 CA ASP A 57 10.946 -9.037 -5.130 1.00 10.31 C ATOM 918 C ASP A 57 10.456 -8.037 -6.176 1.00 72.45 C ATOM 919 O ASP A 57 10.761 -6.843 -6.097 1.00 64.11 O ATOM 920 CB ASP A 57 11.996 -9.981 -5.796 1.00 34.20 C ATOM 921 CG ASP A 57 12.741 -10.903 -4.811 1.00 10.12 C ATOM 922 OD1 ASP A 57 13.586 -10.397 -4.031 1.00 44.43 O ATOM 923 OD2 ASP A 57 12.500 -12.134 -4.818 1.00 64.14 O ATOM 0 H ASP A 57 9.756 -10.760 -4.813 1.00 50.51 H new ATOM 0 HA ASP A 57 11.435 -8.529 -4.299 1.00 10.31 H new ATOM 0 HB2 ASP A 57 11.492 -10.597 -6.540 1.00 34.20 H new ATOM 0 HB3 ASP A 57 12.727 -9.373 -6.328 1.00 34.20 H new ATOM 928 N THR A 58 9.637 -8.539 -7.120 1.00 34.51 N ATOM 929 CA THR A 58 9.122 -7.742 -8.241 1.00 3.03 C ATOM 930 C THR A 58 8.145 -6.674 -7.720 1.00 35.13 C ATOM 931 O THR A 58 8.142 -5.537 -8.199 1.00 32.43 O ATOM 932 CB THR A 58 8.416 -8.652 -9.299 1.00 1.10 C ATOM 933 OG1 THR A 58 9.219 -9.811 -9.549 1.00 55.03 O ATOM 934 CG2 THR A 58 8.169 -7.923 -10.633 1.00 3.15 C ATOM 0 H THR A 58 9.316 -9.507 -7.124 1.00 34.51 H new ATOM 0 HA THR A 58 9.964 -7.250 -8.728 1.00 3.03 H new ATOM 0 HB THR A 58 7.447 -8.932 -8.885 1.00 1.10 H new ATOM 0 HG1 THR A 58 8.774 -10.381 -10.211 1.00 55.03 H new ATOM 0 HG21 THR A 58 7.677 -8.600 -11.332 1.00 3.15 H new ATOM 0 HG22 THR A 58 7.534 -7.054 -10.461 1.00 3.15 H new ATOM 0 HG23 THR A 58 9.121 -7.599 -11.052 1.00 3.15 H new ATOM 942 N LEU A 59 7.345 -7.061 -6.702 1.00 25.11 N ATOM 943 CA LEU A 59 6.391 -6.157 -6.050 1.00 40.42 C ATOM 944 C LEU A 59 7.124 -5.002 -5.350 1.00 35.41 C ATOM 945 O LEU A 59 6.853 -3.842 -5.650 1.00 21.42 O ATOM 946 CB LEU A 59 5.493 -6.946 -5.063 1.00 61.25 C ATOM 947 CG LEU A 59 4.383 -6.141 -4.318 1.00 63.42 C ATOM 948 CD1 LEU A 59 3.435 -5.381 -5.285 1.00 34.51 C ATOM 949 CD2 LEU A 59 3.588 -7.080 -3.401 1.00 44.10 C ATOM 0 H LEU A 59 7.347 -8.005 -6.316 1.00 25.11 H new ATOM 0 HA LEU A 59 5.747 -5.718 -6.812 1.00 40.42 H new ATOM 0 HB2 LEU A 59 5.013 -7.755 -5.614 1.00 61.25 H new ATOM 0 HB3 LEU A 59 6.137 -7.408 -4.315 1.00 61.25 H new ATOM 0 HG LEU A 59 4.881 -5.379 -3.718 1.00 63.42 H new ATOM 0 HD11 LEU A 59 2.685 -4.840 -4.708 1.00 34.51 H new ATOM 0 HD12 LEU A 59 4.013 -4.675 -5.881 1.00 34.51 H new ATOM 0 HD13 LEU A 59 2.941 -6.094 -5.945 1.00 34.51 H new ATOM 0 HD21 LEU A 59 2.814 -6.514 -2.883 1.00 44.10 H new ATOM 0 HD22 LEU A 59 3.124 -7.865 -3.998 1.00 44.10 H new ATOM 0 HD23 LEU A 59 4.260 -7.529 -2.670 1.00 44.10 H new ATOM 961 N GLN A 60 8.101 -5.340 -4.481 1.00 15.24 N ATOM 962 CA GLN A 60 8.856 -4.344 -3.685 1.00 71.04 C ATOM 963 C GLN A 60 9.579 -3.334 -4.596 1.00 70.40 C ATOM 964 O GLN A 60 9.438 -2.123 -4.416 1.00 61.04 O ATOM 965 CB GLN A 60 9.887 -5.032 -2.749 1.00 31.32 C ATOM 966 CG GLN A 60 10.696 -4.052 -1.869 1.00 63.22 C ATOM 967 CD GLN A 60 11.705 -4.737 -0.940 1.00 71.01 C ATOM 968 OE1 GLN A 60 11.496 -5.859 -0.489 1.00 44.23 O ATOM 969 NE2 GLN A 60 12.807 -4.064 -0.635 1.00 21.11 N ATOM 0 H GLN A 60 8.388 -6.304 -4.311 1.00 15.24 H new ATOM 0 HA GLN A 60 8.130 -3.809 -3.073 1.00 71.04 H new ATOM 0 HB2 GLN A 60 9.362 -5.735 -2.102 1.00 31.32 H new ATOM 0 HB3 GLN A 60 10.580 -5.615 -3.356 1.00 31.32 H new ATOM 0 HG2 GLN A 60 11.228 -3.354 -2.515 1.00 63.22 H new ATOM 0 HG3 GLN A 60 10.004 -3.464 -1.266 1.00 63.22 H new ATOM 0 HE21 GLN A 60 12.959 -3.133 -1.022 1.00 21.11 H new ATOM 0 HE22 GLN A 60 13.502 -4.478 -0.014 1.00 21.11 H new ATOM 978 N MET A 61 10.325 -3.856 -5.592 1.00 51.52 N ATOM 979 CA MET A 61 11.120 -3.025 -6.517 1.00 43.13 C ATOM 980 C MET A 61 10.222 -2.102 -7.361 1.00 12.02 C ATOM 981 O MET A 61 10.564 -0.934 -7.564 1.00 24.34 O ATOM 982 CB MET A 61 12.010 -3.899 -7.445 1.00 61.34 C ATOM 983 CG MET A 61 13.082 -4.733 -6.723 1.00 32.13 C ATOM 984 SD MET A 61 14.119 -5.684 -7.867 1.00 3.04 S ATOM 985 CE MET A 61 12.918 -6.706 -8.741 1.00 3.34 C ATOM 0 H MET A 61 10.392 -4.857 -5.776 1.00 51.52 H new ATOM 0 HA MET A 61 11.771 -2.402 -5.903 1.00 43.13 H new ATOM 0 HB2 MET A 61 11.367 -4.573 -8.010 1.00 61.34 H new ATOM 0 HB3 MET A 61 12.503 -3.249 -8.168 1.00 61.34 H new ATOM 0 HG2 MET A 61 13.714 -4.071 -6.132 1.00 32.13 H new ATOM 0 HG3 MET A 61 12.596 -5.416 -6.026 1.00 32.13 H new ATOM 0 HE1 MET A 61 13.442 -7.430 -9.364 1.00 3.34 H new ATOM 0 HE2 MET A 61 12.294 -7.233 -8.019 1.00 3.34 H new ATOM 0 HE3 MET A 61 12.291 -6.074 -9.369 1.00 3.34 H new ATOM 995 N ALA A 62 9.063 -2.621 -7.813 1.00 4.22 N ATOM 996 CA ALA A 62 8.101 -1.840 -8.617 1.00 43.41 C ATOM 997 C ALA A 62 7.511 -0.685 -7.785 1.00 71.01 C ATOM 998 O ALA A 62 7.427 0.453 -8.268 1.00 60.32 O ATOM 999 CB ALA A 62 6.990 -2.747 -9.160 1.00 71.12 C ATOM 0 H ALA A 62 8.769 -3.581 -7.634 1.00 4.22 H new ATOM 0 HA ALA A 62 8.631 -1.409 -9.466 1.00 43.41 H new ATOM 0 HB1 ALA A 62 6.291 -2.153 -9.750 1.00 71.12 H new ATOM 0 HB2 ALA A 62 7.428 -3.522 -9.789 1.00 71.12 H new ATOM 0 HB3 ALA A 62 6.460 -3.211 -8.328 1.00 71.12 H new ATOM 1005 N LEU A 63 7.161 -1.001 -6.513 1.00 63.32 N ATOM 1006 CA LEU A 63 6.676 -0.017 -5.520 1.00 54.13 C ATOM 1007 C LEU A 63 7.696 1.119 -5.359 1.00 75.30 C ATOM 1008 O LEU A 63 7.346 2.291 -5.423 1.00 74.24 O ATOM 1009 CB LEU A 63 6.408 -0.701 -4.149 1.00 70.03 C ATOM 1010 CG LEU A 63 5.221 -1.715 -4.116 1.00 44.33 C ATOM 1011 CD1 LEU A 63 5.260 -2.582 -2.837 1.00 43.43 C ATOM 1012 CD2 LEU A 63 3.860 -0.998 -4.277 1.00 23.11 C ATOM 0 H LEU A 63 7.209 -1.952 -6.148 1.00 63.32 H new ATOM 0 HA LEU A 63 5.736 0.401 -5.881 1.00 54.13 H new ATOM 0 HB2 LEU A 63 7.315 -1.222 -3.841 1.00 70.03 H new ATOM 0 HB3 LEU A 63 6.219 0.075 -3.408 1.00 70.03 H new ATOM 0 HG LEU A 63 5.336 -2.385 -4.968 1.00 44.33 H new ATOM 0 HD11 LEU A 63 4.421 -3.278 -2.843 1.00 43.43 H new ATOM 0 HD12 LEU A 63 6.195 -3.141 -2.805 1.00 43.43 H new ATOM 0 HD13 LEU A 63 5.192 -1.939 -1.959 1.00 43.43 H new ATOM 0 HD21 LEU A 63 3.056 -1.733 -4.250 1.00 23.11 H new ATOM 0 HD22 LEU A 63 3.727 -0.284 -3.464 1.00 23.11 H new ATOM 0 HD23 LEU A 63 3.837 -0.471 -5.231 1.00 23.11 H new ATOM 1024 N GLN A 64 8.966 0.743 -5.214 1.00 33.42 N ATOM 1025 CA GLN A 64 10.073 1.698 -5.116 1.00 13.15 C ATOM 1026 C GLN A 64 10.192 2.593 -6.371 1.00 71.11 C ATOM 1027 O GLN A 64 10.421 3.801 -6.233 1.00 23.31 O ATOM 1028 CB GLN A 64 11.392 0.945 -4.810 1.00 60.12 C ATOM 1029 CG GLN A 64 11.374 0.229 -3.441 1.00 22.20 C ATOM 1030 CD GLN A 64 11.183 1.174 -2.244 1.00 75.52 C ATOM 1031 OE1 GLN A 64 10.512 0.829 -1.272 1.00 14.31 O ATOM 1032 NE2 GLN A 64 11.821 2.338 -2.276 1.00 21.21 N ATOM 0 H GLN A 64 9.258 -0.233 -5.161 1.00 33.42 H new ATOM 0 HA GLN A 64 9.863 2.376 -4.289 1.00 13.15 H new ATOM 0 HB2 GLN A 64 11.576 0.212 -5.595 1.00 60.12 H new ATOM 0 HB3 GLN A 64 12.221 1.652 -4.833 1.00 60.12 H new ATOM 0 HG2 GLN A 64 10.572 -0.510 -3.439 1.00 22.20 H new ATOM 0 HG3 GLN A 64 12.310 -0.316 -3.315 1.00 22.20 H new ATOM 0 HE21 GLN A 64 12.370 2.596 -3.096 1.00 21.21 H new ATOM 0 HE22 GLN A 64 11.762 2.974 -1.480 1.00 21.21 H new ATOM 1041 N VAL A 65 9.973 2.027 -7.585 1.00 51.45 N ATOM 1042 CA VAL A 65 10.017 2.802 -8.845 1.00 15.44 C ATOM 1043 C VAL A 65 8.861 3.831 -8.886 1.00 11.34 C ATOM 1044 O VAL A 65 9.030 4.949 -9.393 1.00 44.30 O ATOM 1045 CB VAL A 65 9.966 1.852 -10.116 1.00 42.35 C ATOM 1046 CG1 VAL A 65 9.903 2.644 -11.449 1.00 75.44 C ATOM 1047 CG2 VAL A 65 11.169 0.876 -10.132 1.00 3.24 C ATOM 0 H VAL A 65 9.765 1.037 -7.715 1.00 51.45 H new ATOM 0 HA VAL A 65 10.965 3.339 -8.874 1.00 15.44 H new ATOM 0 HB VAL A 65 9.044 1.277 -10.033 1.00 42.35 H new ATOM 0 HG11 VAL A 65 9.870 1.946 -12.286 1.00 75.44 H new ATOM 0 HG12 VAL A 65 9.009 3.267 -11.460 1.00 75.44 H new ATOM 0 HG13 VAL A 65 10.786 3.276 -11.539 1.00 75.44 H new ATOM 0 HG21 VAL A 65 11.108 0.238 -11.013 1.00 3.24 H new ATOM 0 HG22 VAL A 65 12.099 1.445 -10.159 1.00 3.24 H new ATOM 0 HG23 VAL A 65 11.148 0.258 -9.234 1.00 3.24 H new ATOM 1057 N VAL A 66 7.707 3.471 -8.284 1.00 52.51 N ATOM 1058 CA VAL A 66 6.513 4.344 -8.251 1.00 23.22 C ATOM 1059 C VAL A 66 6.426 5.121 -6.909 1.00 3.34 C ATOM 1060 O VAL A 66 5.343 5.566 -6.503 1.00 3.44 O ATOM 1061 CB VAL A 66 5.194 3.524 -8.513 1.00 72.33 C ATOM 1062 CG1 VAL A 66 5.251 2.768 -9.864 1.00 54.54 C ATOM 1063 CG2 VAL A 66 4.889 2.562 -7.355 1.00 71.44 C ATOM 0 H VAL A 66 7.577 2.576 -7.812 1.00 52.51 H new ATOM 0 HA VAL A 66 6.616 5.072 -9.056 1.00 23.22 H new ATOM 0 HB VAL A 66 4.376 4.242 -8.571 1.00 72.33 H new ATOM 0 HG11 VAL A 66 4.324 2.214 -10.010 1.00 54.54 H new ATOM 0 HG12 VAL A 66 5.378 3.484 -10.676 1.00 54.54 H new ATOM 0 HG13 VAL A 66 6.091 2.074 -9.857 1.00 54.54 H new ATOM 0 HG21 VAL A 66 3.972 2.013 -7.570 1.00 71.44 H new ATOM 0 HG22 VAL A 66 5.714 1.859 -7.239 1.00 71.44 H new ATOM 0 HG23 VAL A 66 4.764 3.130 -6.433 1.00 71.44 H new ATOM 1073 N ASN A 67 7.590 5.262 -6.227 1.00 12.10 N ATOM 1074 CA ASN A 67 7.764 6.159 -5.051 1.00 24.01 C ATOM 1075 C ASN A 67 6.872 5.764 -3.845 1.00 62.14 C ATOM 1076 O ASN A 67 6.568 6.597 -2.976 1.00 32.54 O ATOM 1077 CB ASN A 67 7.517 7.635 -5.463 1.00 44.42 C ATOM 1078 CG ASN A 67 8.506 8.152 -6.517 1.00 71.14 C ATOM 1079 OD1 ASN A 67 8.285 7.999 -7.720 1.00 62.11 O ATOM 1080 ND2 ASN A 67 9.590 8.774 -6.073 1.00 24.03 N ATOM 0 H ASN A 67 8.440 4.756 -6.476 1.00 12.10 H new ATOM 0 HA ASN A 67 8.795 6.045 -4.715 1.00 24.01 H new ATOM 0 HB2 ASN A 67 6.503 7.730 -5.851 1.00 44.42 H new ATOM 0 HB3 ASN A 67 7.580 8.266 -4.577 1.00 44.42 H new ATOM 0 HD21 ASN A 67 10.273 9.144 -6.734 1.00 24.03 H new ATOM 0 HD22 ASN A 67 9.741 8.883 -5.070 1.00 24.03 H new ATOM 1087 N ILE A 68 6.513 4.475 -3.773 1.00 63.13 N ATOM 1088 CA ILE A 68 5.796 3.897 -2.632 1.00 5.20 C ATOM 1089 C ILE A 68 6.829 3.355 -1.639 1.00 3.41 C ATOM 1090 O ILE A 68 7.663 2.497 -1.983 1.00 55.21 O ATOM 1091 CB ILE A 68 4.804 2.753 -3.069 1.00 40.12 C ATOM 1092 CG1 ILE A 68 3.674 3.323 -3.983 1.00 51.43 C ATOM 1093 CG2 ILE A 68 4.199 2.014 -1.847 1.00 20.34 C ATOM 1094 CD1 ILE A 68 2.762 4.344 -3.316 1.00 2.33 C ATOM 0 H ILE A 68 6.714 3.801 -4.511 1.00 63.13 H new ATOM 0 HA ILE A 68 5.190 4.676 -2.169 1.00 5.20 H new ATOM 0 HB ILE A 68 5.379 2.023 -3.639 1.00 40.12 H new ATOM 0 HG12 ILE A 68 4.133 3.784 -4.858 1.00 51.43 H new ATOM 0 HG13 ILE A 68 3.065 2.494 -4.342 1.00 51.43 H new ATOM 0 HG21 ILE A 68 3.521 1.234 -2.193 1.00 20.34 H new ATOM 0 HG22 ILE A 68 5.000 1.565 -1.260 1.00 20.34 H new ATOM 0 HG23 ILE A 68 3.650 2.724 -1.228 1.00 20.34 H new ATOM 0 HD11 ILE A 68 2.010 4.681 -4.030 1.00 2.33 H new ATOM 0 HD12 ILE A 68 2.269 3.886 -2.459 1.00 2.33 H new ATOM 0 HD13 ILE A 68 3.353 5.197 -2.982 1.00 2.33 H new ATOM 1106 N GLN A 69 6.771 3.892 -0.425 1.00 3.41 N ATOM 1107 CA GLN A 69 7.656 3.530 0.681 1.00 31.52 C ATOM 1108 C GLN A 69 7.186 2.202 1.312 1.00 70.24 C ATOM 1109 O GLN A 69 6.013 2.056 1.653 1.00 51.04 O ATOM 1110 CB GLN A 69 7.626 4.702 1.694 1.00 31.21 C ATOM 1111 CG GLN A 69 8.377 4.481 3.009 1.00 73.21 C ATOM 1112 CD GLN A 69 8.363 5.745 3.874 1.00 44.52 C ATOM 1113 OE1 GLN A 69 7.332 5.911 4.697 1.00 3.32 O flip ATOM 1114 NE2 GLN A 69 9.256 6.583 3.774 1.00 22.13 N flip ATOM 0 H GLN A 69 6.091 4.609 -0.175 1.00 3.41 H new ATOM 0 HA GLN A 69 8.680 3.372 0.344 1.00 31.52 H new ATOM 0 HB2 GLN A 69 8.040 5.585 1.208 1.00 31.21 H new ATOM 0 HB3 GLN A 69 6.585 4.926 1.928 1.00 31.21 H new ATOM 0 HG2 GLN A 69 7.921 3.657 3.557 1.00 73.21 H new ATOM 0 HG3 GLN A 69 9.407 4.192 2.799 1.00 73.21 H new ATOM 0 HE21 GLN A 69 10.034 6.426 3.133 1.00 22.13 H new ATOM 0 HE22 GLN A 69 9.220 7.436 4.332 1.00 22.13 H new ATOM 1123 N THR A 70 8.106 1.236 1.457 1.00 30.31 N ATOM 1124 CA THR A 70 7.800 -0.082 2.024 1.00 60.44 C ATOM 1125 C THR A 70 8.139 -0.062 3.527 1.00 44.04 C ATOM 1126 O THR A 70 9.313 0.025 3.908 1.00 71.31 O ATOM 1127 CB THR A 70 8.595 -1.211 1.279 1.00 43.03 C ATOM 1128 OG1 THR A 70 8.327 -1.147 -0.135 1.00 52.02 O ATOM 1129 CG2 THR A 70 8.229 -2.616 1.792 1.00 10.01 C ATOM 0 H THR A 70 9.082 1.349 1.184 1.00 30.31 H new ATOM 0 HA THR A 70 6.740 -0.299 1.895 1.00 60.44 H new ATOM 0 HB THR A 70 9.654 -1.042 1.476 1.00 43.03 H new ATOM 0 HG1 THR A 70 8.980 -0.557 -0.565 1.00 52.02 H new ATOM 0 HG21 THR A 70 8.805 -3.364 1.246 1.00 10.01 H new ATOM 0 HG22 THR A 70 8.458 -2.686 2.855 1.00 10.01 H new ATOM 0 HG23 THR A 70 7.165 -2.794 1.638 1.00 10.01 H new ATOM 1137 N ILE A 71 7.092 -0.074 4.368 1.00 42.22 N ATOM 1138 CA ILE A 71 7.224 -0.051 5.836 1.00 32.24 C ATOM 1139 C ILE A 71 7.534 -1.464 6.338 1.00 41.33 C ATOM 1140 O ILE A 71 8.563 -1.705 6.983 1.00 33.53 O ATOM 1141 CB ILE A 71 5.904 0.492 6.505 1.00 60.21 C ATOM 1142 CG1 ILE A 71 5.541 1.900 5.943 1.00 21.42 C ATOM 1143 CG2 ILE A 71 5.994 0.516 8.055 1.00 41.13 C ATOM 1144 CD1 ILE A 71 6.513 3.015 6.292 1.00 10.22 C ATOM 0 H ILE A 71 6.124 -0.100 4.048 1.00 42.22 H new ATOM 0 HA ILE A 71 8.040 0.618 6.110 1.00 32.24 H new ATOM 0 HB ILE A 71 5.104 -0.202 6.247 1.00 60.21 H new ATOM 0 HG12 ILE A 71 5.469 1.831 4.858 1.00 21.42 H new ATOM 0 HG13 ILE A 71 4.553 2.175 6.311 1.00 21.42 H new ATOM 0 HG21 ILE A 71 5.060 0.898 8.468 1.00 41.13 H new ATOM 0 HG22 ILE A 71 6.168 -0.494 8.425 1.00 41.13 H new ATOM 0 HG23 ILE A 71 6.817 1.161 8.362 1.00 41.13 H new ATOM 0 HD11 ILE A 71 6.167 3.950 5.852 1.00 10.22 H new ATOM 0 HD12 ILE A 71 6.570 3.122 7.375 1.00 10.22 H new ATOM 0 HD13 ILE A 71 7.501 2.773 5.899 1.00 10.22 H new ATOM 1156 N ALA A 72 6.644 -2.400 5.995 1.00 21.22 N ATOM 1157 CA ALA A 72 6.748 -3.808 6.393 1.00 75.51 C ATOM 1158 C ALA A 72 6.395 -4.701 5.201 1.00 54.13 C ATOM 1159 O ALA A 72 5.694 -4.267 4.281 1.00 43.41 O ATOM 1160 CB ALA A 72 5.818 -4.087 7.586 1.00 61.53 C ATOM 0 H ALA A 72 5.821 -2.199 5.426 1.00 21.22 H new ATOM 0 HA ALA A 72 7.770 -4.028 6.702 1.00 75.51 H new ATOM 0 HB1 ALA A 72 5.901 -5.135 7.875 1.00 61.53 H new ATOM 0 HB2 ALA A 72 6.105 -3.455 8.426 1.00 61.53 H new ATOM 0 HB3 ALA A 72 4.788 -3.870 7.303 1.00 61.53 H new ATOM 1166 N MET A 73 6.919 -5.930 5.212 1.00 12.34 N ATOM 1167 CA MET A 73 6.609 -6.956 4.203 1.00 10.32 C ATOM 1168 C MET A 73 6.911 -8.341 4.794 1.00 74.01 C ATOM 1169 O MET A 73 7.974 -8.532 5.382 1.00 33.14 O ATOM 1170 CB MET A 73 7.422 -6.701 2.893 1.00 32.11 C ATOM 1171 CG MET A 73 7.169 -7.715 1.766 1.00 21.44 C ATOM 1172 SD MET A 73 7.853 -7.203 0.170 1.00 33.21 S ATOM 1173 CE MET A 73 6.872 -5.747 -0.210 1.00 14.11 C ATOM 0 H MET A 73 7.576 -6.247 5.925 1.00 12.34 H new ATOM 0 HA MET A 73 5.553 -6.909 3.939 1.00 10.32 H new ATOM 0 HB2 MET A 73 7.185 -5.703 2.524 1.00 32.11 H new ATOM 0 HB3 MET A 73 8.485 -6.707 3.135 1.00 32.11 H new ATOM 0 HG2 MET A 73 7.602 -8.675 2.047 1.00 21.44 H new ATOM 0 HG3 MET A 73 6.095 -7.869 1.660 1.00 21.44 H new ATOM 0 HE1 MET A 73 6.895 -5.563 -1.284 1.00 14.11 H new ATOM 0 HE2 MET A 73 5.842 -5.909 0.108 1.00 14.11 H new ATOM 0 HE3 MET A 73 7.283 -4.884 0.315 1.00 14.11 H new ATOM 1183 N SER A 74 5.964 -9.290 4.659 1.00 23.03 N ATOM 1184 CA SER A 74 6.141 -10.683 5.129 1.00 41.01 C ATOM 1185 C SER A 74 7.049 -11.473 4.177 1.00 44.54 C ATOM 1186 O SER A 74 7.326 -11.021 3.060 1.00 11.53 O ATOM 1187 CB SER A 74 4.767 -11.375 5.285 1.00 44.43 C ATOM 1188 OG SER A 74 3.952 -10.687 6.225 1.00 32.52 O ATOM 0 H SER A 74 5.058 -9.116 4.224 1.00 23.03 H new ATOM 0 HA SER A 74 6.626 -10.658 6.105 1.00 41.01 H new ATOM 0 HB2 SER A 74 4.263 -11.411 4.319 1.00 44.43 H new ATOM 0 HB3 SER A 74 4.910 -12.406 5.609 1.00 44.43 H new ATOM 0 HG SER A 74 3.597 -9.871 5.815 1.00 32.52 H new ATOM 1194 N ARG A 75 7.496 -12.659 4.621 1.00 13.44 N ATOM 1195 CA ARG A 75 8.482 -13.468 3.887 1.00 73.22 C ATOM 1196 C ARG A 75 7.815 -14.204 2.705 1.00 5.21 C ATOM 1197 O ARG A 75 6.612 -14.519 2.744 1.00 54.11 O ATOM 1198 CB ARG A 75 9.158 -14.501 4.837 1.00 71.03 C ATOM 1199 CG ARG A 75 10.493 -15.090 4.301 1.00 3.32 C ATOM 1200 CD ARG A 75 10.852 -16.448 4.931 1.00 1.24 C ATOM 1201 NE ARG A 75 9.989 -17.529 4.410 1.00 60.22 N ATOM 1202 CZ ARG A 75 9.119 -18.262 5.124 1.00 15.22 C ATOM 1203 NH1 ARG A 75 8.957 -18.052 6.431 1.00 62.15 N ATOM 1204 NH2 ARG A 75 8.385 -19.179 4.507 1.00 24.03 N ATOM 0 H ARG A 75 7.185 -13.082 5.495 1.00 13.44 H new ATOM 0 HA ARG A 75 9.244 -12.795 3.495 1.00 73.22 H new ATOM 0 HB2 ARG A 75 9.346 -14.023 5.798 1.00 71.03 H new ATOM 0 HB3 ARG A 75 8.461 -15.319 5.019 1.00 71.03 H new ATOM 0 HG2 ARG A 75 10.424 -15.205 3.219 1.00 3.32 H new ATOM 0 HG3 ARG A 75 11.299 -14.382 4.495 1.00 3.32 H new ATOM 0 HD2 ARG A 75 11.896 -16.682 4.724 1.00 1.24 H new ATOM 0 HD3 ARG A 75 10.748 -16.387 6.014 1.00 1.24 H new ATOM 0 HE ARG A 75 10.061 -17.738 3.414 1.00 60.22 H new ATOM 0 HH11 ARG A 75 9.498 -17.326 6.902 1.00 62.15 H new ATOM 0 HH12 ARG A 75 8.292 -18.617 6.960 1.00 62.15 H new ATOM 0 HH21 ARG A 75 8.485 -19.321 3.502 1.00 24.03 H new ATOM 0 HH22 ARG A 75 7.721 -19.742 5.038 1.00 24.03 H new ATOM 1218 N ALA A 76 8.623 -14.471 1.669 1.00 0.43 N ATOM 1219 CA ALA A 76 8.229 -15.306 0.529 1.00 51.01 C ATOM 1220 C ALA A 76 7.933 -16.739 1.015 1.00 42.44 C ATOM 1221 O ALA A 76 8.754 -17.334 1.715 1.00 2.53 O ATOM 1222 CB ALA A 76 9.351 -15.315 -0.518 1.00 22.14 C ATOM 0 H ALA A 76 9.575 -14.110 1.600 1.00 0.43 H new ATOM 0 HA ALA A 76 7.328 -14.898 0.072 1.00 51.01 H new ATOM 0 HB1 ALA A 76 9.055 -15.936 -1.363 1.00 22.14 H new ATOM 0 HB2 ALA A 76 9.535 -14.297 -0.862 1.00 22.14 H new ATOM 0 HB3 ALA A 76 10.261 -15.718 -0.073 1.00 22.14 H new ATOM 1228 N GLY A 77 6.745 -17.252 0.669 1.00 32.24 N ATOM 1229 CA GLY A 77 6.300 -18.586 1.089 1.00 73.32 C ATOM 1230 C GLY A 77 5.405 -18.564 2.322 1.00 73.42 C ATOM 1231 O GLY A 77 4.719 -19.555 2.595 1.00 40.52 O ATOM 0 H GLY A 77 6.067 -16.755 0.091 1.00 32.24 H new ATOM 0 HA2 GLY A 77 5.762 -19.057 0.267 1.00 73.32 H new ATOM 0 HA3 GLY A 77 7.174 -19.205 1.294 1.00 73.32 H new ATOM 1235 N SER A 78 5.392 -17.436 3.058 1.00 60.44 N ATOM 1236 CA SER A 78 4.543 -17.271 4.249 1.00 13.35 C ATOM 1237 C SER A 78 3.131 -16.818 3.832 1.00 44.44 C ATOM 1238 O SER A 78 2.974 -15.759 3.219 1.00 41.04 O ATOM 1239 CB SER A 78 5.185 -16.226 5.186 1.00 75.30 C ATOM 1240 OG SER A 78 6.515 -16.588 5.516 1.00 14.44 O ATOM 0 H SER A 78 5.966 -16.620 2.844 1.00 60.44 H new ATOM 0 HA SER A 78 4.459 -18.223 4.773 1.00 13.35 H new ATOM 0 HB2 SER A 78 5.179 -15.248 4.704 1.00 75.30 H new ATOM 0 HB3 SER A 78 4.592 -16.136 6.096 1.00 75.30 H new ATOM 0 HG SER A 78 6.790 -16.115 6.329 1.00 14.44 H new ATOM 1246 N ARG A 79 2.109 -17.643 4.135 1.00 50.55 N ATOM 1247 CA ARG A 79 0.685 -17.304 3.911 1.00 4.34 C ATOM 1248 C ARG A 79 -0.067 -17.337 5.275 1.00 43.42 C ATOM 1249 O ARG A 79 0.206 -18.220 6.089 1.00 21.04 O ATOM 1250 CB ARG A 79 -0.003 -18.255 2.880 1.00 1.43 C ATOM 1251 CG ARG A 79 0.463 -18.111 1.401 1.00 72.01 C ATOM 1252 CD ARG A 79 1.834 -18.750 1.139 1.00 51.43 C ATOM 1253 NE ARG A 79 2.320 -18.550 -0.233 1.00 65.43 N ATOM 1254 CZ ARG A 79 3.209 -19.348 -0.850 1.00 51.12 C ATOM 1255 NH1 ARG A 79 3.701 -20.417 -0.235 1.00 53.44 N ATOM 1256 NH2 ARG A 79 3.624 -19.054 -2.064 1.00 74.13 N ATOM 0 H ARG A 79 2.246 -18.567 4.544 1.00 50.55 H new ATOM 0 HA ARG A 79 0.640 -16.302 3.483 1.00 4.34 H new ATOM 0 HB2 ARG A 79 0.168 -19.284 3.195 1.00 1.43 H new ATOM 0 HB3 ARG A 79 -1.079 -18.084 2.919 1.00 1.43 H new ATOM 0 HG2 ARG A 79 -0.277 -18.571 0.746 1.00 72.01 H new ATOM 0 HG3 ARG A 79 0.506 -17.053 1.141 1.00 72.01 H new ATOM 0 HD2 ARG A 79 2.560 -18.334 1.838 1.00 51.43 H new ATOM 0 HD3 ARG A 79 1.773 -19.819 1.342 1.00 51.43 H new ATOM 0 HE ARG A 79 1.958 -17.751 -0.753 1.00 65.43 H new ATOM 0 HH11 ARG A 79 3.405 -20.640 0.715 1.00 53.44 H new ATOM 0 HH12 ARG A 79 4.375 -21.015 -0.713 1.00 53.44 H new ATOM 0 HH21 ARG A 79 3.271 -18.221 -2.536 1.00 74.13 H new ATOM 0 HH22 ARG A 79 4.298 -19.659 -2.533 1.00 74.13 H new ATOM 1270 N PRO A 80 -1.008 -16.365 5.566 1.00 43.31 N ATOM 1271 CA PRO A 80 -1.359 -15.236 4.673 1.00 25.53 C ATOM 1272 C PRO A 80 -0.251 -14.161 4.642 1.00 35.10 C ATOM 1273 O PRO A 80 0.190 -13.674 5.686 1.00 5.41 O ATOM 1274 CB PRO A 80 -2.669 -14.691 5.280 1.00 73.43 C ATOM 1275 CG PRO A 80 -2.592 -15.031 6.732 1.00 12.45 C ATOM 1276 CD PRO A 80 -1.811 -16.327 6.826 1.00 33.30 C ATOM 0 HA PRO A 80 -1.472 -15.542 3.633 1.00 25.53 H new ATOM 0 HB2 PRO A 80 -2.756 -13.615 5.131 1.00 73.43 H new ATOM 0 HB3 PRO A 80 -3.541 -15.149 4.813 1.00 73.43 H new ATOM 0 HG2 PRO A 80 -2.097 -14.237 7.291 1.00 12.45 H new ATOM 0 HG3 PRO A 80 -3.589 -15.146 7.158 1.00 12.45 H new ATOM 0 HD2 PRO A 80 -1.170 -16.342 7.707 1.00 33.30 H new ATOM 0 HD3 PRO A 80 -2.476 -17.188 6.901 1.00 33.30 H new ATOM 1284 N TRP A 81 0.209 -13.829 3.435 1.00 52.31 N ATOM 1285 CA TRP A 81 1.294 -12.859 3.235 1.00 1.53 C ATOM 1286 C TRP A 81 0.734 -11.445 3.454 1.00 61.42 C ATOM 1287 O TRP A 81 -0.295 -11.109 2.892 1.00 53.44 O ATOM 1288 CB TRP A 81 1.888 -13.027 1.810 1.00 31.15 C ATOM 1289 CG TRP A 81 2.994 -12.054 1.472 1.00 72.04 C ATOM 1290 CD1 TRP A 81 4.340 -12.214 1.666 1.00 23.33 C ATOM 1291 CD2 TRP A 81 2.833 -10.760 0.880 1.00 74.11 C ATOM 1292 NE1 TRP A 81 5.014 -11.098 1.235 1.00 22.44 N ATOM 1293 CE2 TRP A 81 4.108 -10.197 0.746 1.00 0.53 C ATOM 1294 CE3 TRP A 81 1.721 -10.031 0.449 1.00 53.22 C ATOM 1295 CZ2 TRP A 81 4.301 -8.939 0.198 1.00 63.32 C ATOM 1296 CZ3 TRP A 81 1.917 -8.787 -0.093 1.00 40.35 C ATOM 1297 CH2 TRP A 81 3.199 -8.252 -0.216 1.00 54.02 C ATOM 0 H TRP A 81 -0.157 -14.222 2.568 1.00 52.31 H new ATOM 0 HA TRP A 81 2.100 -13.029 3.949 1.00 1.53 H new ATOM 0 HB2 TRP A 81 2.271 -14.042 1.707 1.00 31.15 H new ATOM 0 HB3 TRP A 81 1.086 -12.913 1.080 1.00 31.15 H new ATOM 0 HD1 TRP A 81 4.804 -13.090 2.095 1.00 23.33 H new ATOM 0 HE1 TRP A 81 6.024 -10.963 1.273 1.00 22.44 H new ATOM 0 HE3 TRP A 81 0.726 -10.440 0.541 1.00 53.22 H new ATOM 0 HZ2 TRP A 81 5.291 -8.517 0.102 1.00 63.32 H new ATOM 0 HZ3 TRP A 81 1.066 -8.213 -0.430 1.00 40.35 H new ATOM 0 HH2 TRP A 81 3.321 -7.270 -0.649 1.00 54.02 H new ATOM 1308 N LYS A 82 1.389 -10.627 4.290 1.00 33.32 N ATOM 1309 CA LYS A 82 0.940 -9.244 4.538 1.00 51.20 C ATOM 1310 C LYS A 82 2.088 -8.245 4.368 1.00 60.01 C ATOM 1311 O LYS A 82 3.247 -8.571 4.606 1.00 41.11 O ATOM 1312 CB LYS A 82 0.301 -9.146 5.942 1.00 12.15 C ATOM 1313 CG LYS A 82 -0.403 -7.807 6.244 1.00 22.45 C ATOM 1314 CD LYS A 82 -1.174 -7.835 7.584 1.00 14.32 C ATOM 1315 CE LYS A 82 -0.282 -8.162 8.785 1.00 30.23 C ATOM 1316 NZ LYS A 82 -1.034 -8.123 10.071 1.00 41.03 N ATOM 0 H LYS A 82 2.228 -10.895 4.805 1.00 33.32 H new ATOM 0 HA LYS A 82 0.185 -8.983 3.797 1.00 51.20 H new ATOM 0 HB2 LYS A 82 -0.423 -9.953 6.053 1.00 12.15 H new ATOM 0 HB3 LYS A 82 1.077 -9.309 6.690 1.00 12.15 H new ATOM 0 HG2 LYS A 82 0.338 -7.008 6.271 1.00 22.45 H new ATOM 0 HG3 LYS A 82 -1.095 -7.573 5.435 1.00 22.45 H new ATOM 0 HD2 LYS A 82 -1.647 -6.866 7.744 1.00 14.32 H new ATOM 0 HD3 LYS A 82 -1.973 -8.574 7.521 1.00 14.32 H new ATOM 0 HE2 LYS A 82 0.156 -9.151 8.652 1.00 30.23 H new ATOM 0 HE3 LYS A 82 0.543 -7.451 8.827 1.00 30.23 H new ATOM 0 HZ1 LYS A 82 -0.408 -8.416 10.848 1.00 41.03 H new ATOM 0 HZ2 LYS A 82 -1.373 -7.155 10.246 1.00 41.03 H new ATOM 0 HZ3 LYS A 82 -1.846 -8.770 10.018 1.00 41.03 H new ATOM 1330 N ALA A 83 1.750 -7.021 3.958 1.00 34.35 N ATOM 1331 CA ALA A 83 2.719 -5.931 3.769 1.00 70.22 C ATOM 1332 C ALA A 83 2.062 -4.605 4.133 1.00 20.44 C ATOM 1333 O ALA A 83 0.857 -4.437 3.953 1.00 32.53 O ATOM 1334 CB ALA A 83 3.233 -5.887 2.323 1.00 23.40 C ATOM 0 H ALA A 83 0.789 -6.753 3.745 1.00 34.35 H new ATOM 0 HA ALA A 83 3.575 -6.110 4.420 1.00 70.22 H new ATOM 0 HB1 ALA A 83 3.947 -5.071 2.215 1.00 23.40 H new ATOM 0 HB2 ALA A 83 3.722 -6.831 2.082 1.00 23.40 H new ATOM 0 HB3 ALA A 83 2.395 -5.728 1.644 1.00 23.40 H new ATOM 1340 N TYR A 84 2.862 -3.681 4.666 1.00 10.05 N ATOM 1341 CA TYR A 84 2.430 -2.322 4.984 1.00 64.20 C ATOM 1342 C TYR A 84 3.242 -1.323 4.168 1.00 75.32 C ATOM 1343 O TYR A 84 4.473 -1.330 4.208 1.00 61.30 O ATOM 1344 CB TYR A 84 2.549 -2.072 6.506 1.00 33.23 C ATOM 1345 CG TYR A 84 1.497 -2.857 7.308 1.00 44.11 C ATOM 1346 CD1 TYR A 84 0.136 -2.649 7.069 1.00 62.21 C ATOM 1347 CD2 TYR A 84 1.845 -3.795 8.279 1.00 65.31 C ATOM 1348 CE1 TYR A 84 -0.827 -3.341 7.757 1.00 34.42 C ATOM 1349 CE2 TYR A 84 0.873 -4.492 8.970 1.00 10.40 C ATOM 1350 CZ TYR A 84 -0.458 -4.255 8.710 1.00 21.03 C ATOM 1351 OH TYR A 84 -1.420 -4.948 9.393 1.00 51.41 O ATOM 0 H TYR A 84 3.841 -3.859 4.891 1.00 10.05 H new ATOM 0 HA TYR A 84 1.381 -2.191 4.717 1.00 64.20 H new ATOM 0 HB2 TYR A 84 3.546 -2.356 6.842 1.00 33.23 H new ATOM 0 HB3 TYR A 84 2.436 -1.007 6.707 1.00 33.23 H new ATOM 0 HD1 TYR A 84 -0.164 -1.926 6.325 1.00 62.21 H new ATOM 0 HD2 TYR A 84 2.887 -3.979 8.494 1.00 65.31 H new ATOM 0 HE1 TYR A 84 -1.872 -3.167 7.549 1.00 34.42 H new ATOM 0 HE2 TYR A 84 1.157 -5.222 9.713 1.00 10.40 H new ATOM 0 HH TYR A 84 -2.203 -5.075 8.817 1.00 51.41 H new ATOM 1361 N LEU A 85 2.533 -0.509 3.388 1.00 10.20 N ATOM 1362 CA LEU A 85 3.109 0.509 2.504 1.00 75.32 C ATOM 1363 C LEU A 85 2.636 1.886 2.952 1.00 13.20 C ATOM 1364 O LEU A 85 1.527 2.021 3.446 1.00 74.54 O ATOM 1365 CB LEU A 85 2.637 0.261 1.052 1.00 43.22 C ATOM 1366 CG LEU A 85 2.875 -1.163 0.484 1.00 4.22 C ATOM 1367 CD1 LEU A 85 2.282 -1.291 -0.938 1.00 65.41 C ATOM 1368 CD2 LEU A 85 4.377 -1.542 0.529 1.00 74.03 C ATOM 0 H LEU A 85 1.514 -0.538 3.351 1.00 10.20 H new ATOM 0 HA LEU A 85 4.197 0.456 2.549 1.00 75.32 H new ATOM 0 HB2 LEU A 85 1.570 0.477 0.998 1.00 43.22 H new ATOM 0 HB3 LEU A 85 3.140 0.977 0.402 1.00 43.22 H new ATOM 0 HG LEU A 85 2.352 -1.878 1.119 1.00 4.22 H new ATOM 0 HD11 LEU A 85 2.460 -2.297 -1.317 1.00 65.41 H new ATOM 0 HD12 LEU A 85 1.209 -1.101 -0.903 1.00 65.41 H new ATOM 0 HD13 LEU A 85 2.758 -0.565 -1.597 1.00 65.41 H new ATOM 0 HD21 LEU A 85 4.511 -2.545 0.124 1.00 74.03 H new ATOM 0 HD22 LEU A 85 4.950 -0.831 -0.066 1.00 74.03 H new ATOM 0 HD23 LEU A 85 4.728 -1.517 1.561 1.00 74.03 H new ATOM 1380 N SER A 86 3.454 2.907 2.745 1.00 1.31 N ATOM 1381 CA SER A 86 3.092 4.288 3.061 1.00 52.30 C ATOM 1382 C SER A 86 3.588 5.206 1.947 1.00 4.01 C ATOM 1383 O SER A 86 4.490 4.851 1.184 1.00 62.44 O ATOM 1384 CB SER A 86 3.680 4.705 4.429 1.00 63.21 C ATOM 1385 OG SER A 86 3.300 6.021 4.787 1.00 41.35 O ATOM 0 H SER A 86 4.390 2.805 2.353 1.00 1.31 H new ATOM 0 HA SER A 86 2.007 4.371 3.131 1.00 52.30 H new ATOM 0 HB2 SER A 86 3.343 4.008 5.197 1.00 63.21 H new ATOM 0 HB3 SER A 86 4.767 4.638 4.393 1.00 63.21 H new ATOM 0 HG SER A 86 2.368 6.175 4.525 1.00 41.35 H new ATOM 1391 N ALA A 87 2.945 6.363 1.832 1.00 74.15 N ATOM 1392 CA ALA A 87 3.385 7.458 0.969 1.00 41.45 C ATOM 1393 C ALA A 87 2.862 8.768 1.546 1.00 1.23 C ATOM 1394 O ALA A 87 1.973 8.771 2.398 1.00 62.24 O ATOM 1395 CB ALA A 87 2.895 7.253 -0.480 1.00 15.33 C ATOM 0 H ALA A 87 2.088 6.572 2.344 1.00 74.15 H new ATOM 0 HA ALA A 87 4.474 7.483 0.935 1.00 41.45 H new ATOM 0 HB1 ALA A 87 3.236 8.082 -1.100 1.00 15.33 H new ATOM 0 HB2 ALA A 87 3.296 6.318 -0.871 1.00 15.33 H new ATOM 0 HB3 ALA A 87 1.806 7.214 -0.494 1.00 15.33 H new ATOM 1401 N GLN A 88 3.439 9.878 1.102 1.00 2.22 N ATOM 1402 CA GLN A 88 2.980 11.231 1.446 1.00 23.53 C ATOM 1403 C GLN A 88 3.063 12.038 0.170 1.00 1.11 C ATOM 1404 O GLN A 88 4.154 12.253 -0.326 1.00 10.30 O ATOM 1405 CB GLN A 88 3.878 11.865 2.546 1.00 4.54 C ATOM 1406 CG GLN A 88 3.822 11.139 3.894 1.00 15.02 C ATOM 1407 CD GLN A 88 4.807 11.686 4.921 1.00 23.24 C ATOM 1408 OE1 GLN A 88 4.497 12.612 5.668 1.00 51.22 O ATOM 1409 NE2 GLN A 88 5.983 11.111 4.973 1.00 45.41 N ATOM 0 H GLN A 88 4.250 9.871 0.484 1.00 2.22 H new ATOM 0 HA GLN A 88 1.966 11.209 1.844 1.00 23.53 H new ATOM 0 HB2 GLN A 88 4.910 11.878 2.195 1.00 4.54 H new ATOM 0 HB3 GLN A 88 3.578 12.903 2.692 1.00 4.54 H new ATOM 0 HG2 GLN A 88 2.812 11.213 4.296 1.00 15.02 H new ATOM 0 HG3 GLN A 88 4.025 10.080 3.736 1.00 15.02 H new ATOM 0 HE21 GLN A 88 6.205 10.345 4.337 1.00 45.41 H new ATOM 0 HE22 GLN A 88 6.677 11.429 5.650 1.00 45.41 H new ATOM 1418 N ASP A 89 1.932 12.489 -0.392 1.00 2.34 N ATOM 1419 CA ASP A 89 1.979 13.175 -1.690 1.00 74.11 C ATOM 1420 C ASP A 89 2.431 14.641 -1.503 1.00 55.12 C ATOM 1421 O ASP A 89 2.685 15.096 -0.374 1.00 44.10 O ATOM 1422 CB ASP A 89 0.632 13.052 -2.480 1.00 31.13 C ATOM 1423 CG ASP A 89 -0.366 14.188 -2.217 1.00 51.23 C ATOM 1424 OD1 ASP A 89 -0.787 14.356 -1.066 1.00 45.54 O ATOM 1425 OD2 ASP A 89 -0.682 14.954 -3.161 1.00 32.41 O ATOM 0 H ASP A 89 1.002 12.396 0.016 1.00 2.34 H new ATOM 0 HA ASP A 89 2.723 12.675 -2.311 1.00 74.11 H new ATOM 0 HB2 ASP A 89 0.853 13.019 -3.547 1.00 31.13 H new ATOM 0 HB3 ASP A 89 0.160 12.104 -2.223 1.00 31.13 H new ATOM 1430 N ASP A 90 2.536 15.351 -2.625 1.00 20.11 N ATOM 1431 CA ASP A 90 2.983 16.747 -2.675 1.00 71.04 C ATOM 1432 C ASP A 90 2.047 17.720 -1.906 1.00 30.10 C ATOM 1433 O ASP A 90 2.512 18.746 -1.408 1.00 22.30 O ATOM 1434 CB ASP A 90 3.157 17.148 -4.157 1.00 23.43 C ATOM 1435 CG ASP A 90 3.582 18.609 -4.345 1.00 0.32 C ATOM 1436 OD1 ASP A 90 4.782 18.913 -4.177 1.00 33.24 O ATOM 1437 OD2 ASP A 90 2.719 19.461 -4.644 1.00 31.13 O ATOM 0 H ASP A 90 2.309 14.968 -3.543 1.00 20.11 H new ATOM 0 HA ASP A 90 3.939 16.826 -2.157 1.00 71.04 H new ATOM 0 HB2 ASP A 90 3.902 16.498 -4.617 1.00 23.43 H new ATOM 0 HB3 ASP A 90 2.218 16.979 -4.684 1.00 23.43 H new ATOM 1442 N THR A 91 0.747 17.372 -1.766 1.00 4.31 N ATOM 1443 CA THR A 91 -0.219 18.207 -0.995 1.00 22.30 C ATOM 1444 C THR A 91 -0.180 17.853 0.511 1.00 33.13 C ATOM 1445 O THR A 91 -0.842 18.510 1.323 1.00 31.23 O ATOM 1446 CB THR A 91 -1.692 18.126 -1.530 1.00 24.32 C ATOM 1447 OG1 THR A 91 -2.250 16.826 -1.299 1.00 14.34 O ATOM 1448 CG2 THR A 91 -1.777 18.472 -3.031 1.00 4.01 C ATOM 0 H THR A 91 0.340 16.528 -2.170 1.00 4.31 H new ATOM 0 HA THR A 91 0.107 19.237 -1.136 1.00 22.30 H new ATOM 0 HB THR A 91 -2.272 18.866 -0.978 1.00 24.32 H new ATOM 0 HG1 THR A 91 -1.529 16.165 -1.248 1.00 14.34 H new ATOM 0 HG21 THR A 91 -2.813 18.404 -3.362 1.00 4.01 H new ATOM 0 HG22 THR A 91 -1.410 19.486 -3.192 1.00 4.01 H new ATOM 0 HG23 THR A 91 -1.167 17.771 -3.601 1.00 4.01 H new ATOM 1456 N GLY A 92 0.613 16.813 0.870 1.00 55.01 N ATOM 1457 CA GLY A 92 0.877 16.459 2.268 1.00 51.12 C ATOM 1458 C GLY A 92 -0.097 15.441 2.849 1.00 50.42 C ATOM 1459 O GLY A 92 -0.253 15.381 4.070 1.00 33.21 O ATOM 0 H GLY A 92 1.080 16.206 0.196 1.00 55.01 H new ATOM 0 HA2 GLY A 92 1.889 16.062 2.346 1.00 51.12 H new ATOM 0 HA3 GLY A 92 0.842 17.365 2.873 1.00 51.12 H new ATOM 1463 N CYS A 93 -0.769 14.652 1.988 1.00 52.53 N ATOM 1464 CA CYS A 93 -1.694 13.591 2.435 1.00 42.40 C ATOM 1465 C CYS A 93 -0.910 12.364 2.949 1.00 14.23 C ATOM 1466 O CYS A 93 -0.004 11.889 2.269 1.00 70.13 O ATOM 1467 CB CYS A 93 -2.630 13.168 1.281 1.00 23.41 C ATOM 1468 SG CYS A 93 -3.548 14.522 0.533 1.00 42.53 S ATOM 0 H CYS A 93 -0.688 14.730 0.974 1.00 52.53 H new ATOM 0 HA CYS A 93 -2.296 13.990 3.252 1.00 42.40 H new ATOM 0 HB2 CYS A 93 -2.036 12.678 0.509 1.00 23.41 H new ATOM 0 HB3 CYS A 93 -3.338 12.429 1.656 1.00 23.41 H new ATOM 0 HG CYS A 93 -2.741 15.254 -0.176 1.00 42.53 H new ATOM 1474 N LEU A 94 -1.259 11.874 4.153 1.00 23.10 N ATOM 1475 CA LEU A 94 -0.627 10.677 4.748 1.00 2.33 C ATOM 1476 C LEU A 94 -1.378 9.428 4.220 1.00 51.51 C ATOM 1477 O LEU A 94 -2.542 9.237 4.553 1.00 21.43 O ATOM 1478 CB LEU A 94 -0.681 10.781 6.319 1.00 14.24 C ATOM 1479 CG LEU A 94 0.382 9.971 7.150 1.00 62.54 C ATOM 1480 CD1 LEU A 94 0.186 8.449 7.043 1.00 61.21 C ATOM 1481 CD2 LEU A 94 1.816 10.373 6.750 1.00 22.54 C ATOM 0 H LEU A 94 -1.982 12.292 4.739 1.00 23.10 H new ATOM 0 HA LEU A 94 0.423 10.600 4.466 1.00 2.33 H new ATOM 0 HB2 LEU A 94 -0.584 11.833 6.588 1.00 14.24 H new ATOM 0 HB3 LEU A 94 -1.672 10.460 6.641 1.00 14.24 H new ATOM 0 HG LEU A 94 0.227 10.232 8.197 1.00 62.54 H new ATOM 0 HD11 LEU A 94 0.947 7.942 7.636 1.00 61.21 H new ATOM 0 HD12 LEU A 94 -0.803 8.182 7.417 1.00 61.21 H new ATOM 0 HD13 LEU A 94 0.275 8.143 6.001 1.00 61.21 H new ATOM 0 HD21 LEU A 94 2.532 9.799 7.338 1.00 22.54 H new ATOM 0 HD22 LEU A 94 1.969 10.167 5.691 1.00 22.54 H new ATOM 0 HD23 LEU A 94 1.961 11.437 6.938 1.00 22.54 H new ATOM 1493 N PHE A 95 -0.703 8.602 3.402 1.00 61.33 N ATOM 1494 CA PHE A 95 -1.278 7.373 2.797 1.00 62.14 C ATOM 1495 C PHE A 95 -0.755 6.136 3.519 1.00 71.02 C ATOM 1496 O PHE A 95 0.453 6.017 3.758 1.00 3.30 O ATOM 1497 CB PHE A 95 -0.899 7.252 1.301 1.00 42.42 C ATOM 1498 CG PHE A 95 -1.422 8.367 0.410 1.00 71.33 C ATOM 1499 CD1 PHE A 95 -2.663 8.260 -0.218 1.00 55.04 C ATOM 1500 CD2 PHE A 95 -0.664 9.514 0.186 1.00 33.42 C ATOM 1501 CE1 PHE A 95 -3.127 9.265 -1.041 1.00 23.32 C ATOM 1502 CE2 PHE A 95 -1.132 10.517 -0.633 1.00 60.13 C ATOM 1503 CZ PHE A 95 -2.360 10.392 -1.252 1.00 3.22 C ATOM 0 H PHE A 95 0.268 8.765 3.135 1.00 61.33 H new ATOM 0 HA PHE A 95 -2.362 7.442 2.892 1.00 62.14 H new ATOM 0 HB2 PHE A 95 0.187 7.222 1.219 1.00 42.42 H new ATOM 0 HB3 PHE A 95 -1.273 6.301 0.923 1.00 42.42 H new ATOM 0 HD1 PHE A 95 -3.268 7.380 -0.058 1.00 55.04 H new ATOM 0 HD2 PHE A 95 0.301 9.618 0.660 1.00 33.42 H new ATOM 0 HE1 PHE A 95 -4.090 9.170 -1.520 1.00 23.32 H new ATOM 0 HE2 PHE A 95 -0.537 11.404 -0.792 1.00 60.13 H new ATOM 0 HZ PHE A 95 -2.720 11.176 -1.901 1.00 3.22 H new ATOM 1513 N LEU A 96 -1.674 5.235 3.877 1.00 20.44 N ATOM 1514 CA LEU A 96 -1.361 3.925 4.460 1.00 55.42 C ATOM 1515 C LEU A 96 -2.064 2.818 3.653 1.00 74.33 C ATOM 1516 O LEU A 96 -3.267 2.907 3.380 1.00 14.42 O ATOM 1517 CB LEU A 96 -1.840 3.902 5.931 1.00 33.34 C ATOM 1518 CG LEU A 96 -1.283 5.022 6.854 1.00 72.33 C ATOM 1519 CD1 LEU A 96 -2.000 5.026 8.206 1.00 71.54 C ATOM 1520 CD2 LEU A 96 0.242 4.924 7.036 1.00 51.32 C ATOM 0 H LEU A 96 -2.675 5.397 3.768 1.00 20.44 H new ATOM 0 HA LEU A 96 -0.286 3.751 4.428 1.00 55.42 H new ATOM 0 HB2 LEU A 96 -2.928 3.963 5.937 1.00 33.34 H new ATOM 0 HB3 LEU A 96 -1.572 2.938 6.363 1.00 33.34 H new ATOM 0 HG LEU A 96 -1.482 5.972 6.358 1.00 72.33 H new ATOM 0 HD11 LEU A 96 -1.591 5.819 8.832 1.00 71.54 H new ATOM 0 HD12 LEU A 96 -3.065 5.198 8.052 1.00 71.54 H new ATOM 0 HD13 LEU A 96 -1.855 4.064 8.698 1.00 71.54 H new ATOM 0 HD21 LEU A 96 0.583 5.728 7.689 1.00 51.32 H new ATOM 0 HD22 LEU A 96 0.494 3.962 7.483 1.00 51.32 H new ATOM 0 HD23 LEU A 96 0.731 5.012 6.066 1.00 51.32 H new ATOM 1532 N THR A 97 -1.303 1.790 3.262 1.00 53.13 N ATOM 1533 CA THR A 97 -1.806 0.637 2.493 1.00 24.21 C ATOM 1534 C THR A 97 -1.405 -0.682 3.168 1.00 51.44 C ATOM 1535 O THR A 97 -0.376 -0.761 3.844 1.00 14.43 O ATOM 1536 CB THR A 97 -1.245 0.667 1.031 1.00 34.15 C ATOM 1537 OG1 THR A 97 -1.461 1.964 0.479 1.00 65.12 O ATOM 1538 CG2 THR A 97 -1.894 -0.390 0.104 1.00 43.15 C ATOM 0 H THR A 97 -0.307 1.731 3.472 1.00 53.13 H new ATOM 0 HA THR A 97 -2.894 0.703 2.461 1.00 24.21 H new ATOM 0 HB THR A 97 -0.183 0.429 1.091 1.00 34.15 H new ATOM 0 HG1 THR A 97 -0.832 2.115 -0.257 1.00 65.12 H new ATOM 0 HG21 THR A 97 -1.460 -0.315 -0.893 1.00 43.15 H new ATOM 0 HG22 THR A 97 -1.711 -1.387 0.505 1.00 43.15 H new ATOM 0 HG23 THR A 97 -2.968 -0.213 0.047 1.00 43.15 H new ATOM 1546 N GLU A 98 -2.252 -1.699 2.995 1.00 44.45 N ATOM 1547 CA GLU A 98 -1.985 -3.083 3.398 1.00 44.34 C ATOM 1548 C GLU A 98 -2.219 -3.994 2.192 1.00 12.43 C ATOM 1549 O GLU A 98 -3.168 -3.787 1.434 1.00 35.32 O ATOM 1550 CB GLU A 98 -2.922 -3.464 4.561 1.00 54.22 C ATOM 1551 CG GLU A 98 -2.867 -4.933 5.016 1.00 60.03 C ATOM 1552 CD GLU A 98 -3.941 -5.248 6.072 1.00 71.25 C ATOM 1553 OE1 GLU A 98 -5.145 -5.214 5.730 1.00 4.32 O ATOM 1554 OE2 GLU A 98 -3.599 -5.488 7.253 1.00 74.11 O ATOM 0 H GLU A 98 -3.167 -1.580 2.559 1.00 44.45 H new ATOM 0 HA GLU A 98 -0.954 -3.194 3.736 1.00 44.34 H new ATOM 0 HB2 GLU A 98 -2.685 -2.830 5.415 1.00 54.22 H new ATOM 0 HB3 GLU A 98 -3.946 -3.233 4.267 1.00 54.22 H new ATOM 0 HG2 GLU A 98 -3.004 -5.585 4.154 1.00 60.03 H new ATOM 0 HG3 GLU A 98 -1.880 -5.149 5.426 1.00 60.03 H new ATOM 1561 N LEU A 99 -1.338 -4.969 2.000 1.00 0.05 N ATOM 1562 CA LEU A 99 -1.473 -5.997 0.962 1.00 61.53 C ATOM 1563 C LEU A 99 -1.593 -7.353 1.662 1.00 71.25 C ATOM 1564 O LEU A 99 -0.686 -7.723 2.403 1.00 31.31 O ATOM 1565 CB LEU A 99 -0.238 -5.983 0.025 1.00 51.03 C ATOM 1566 CG LEU A 99 0.120 -4.632 -0.666 1.00 64.15 C ATOM 1567 CD1 LEU A 99 1.401 -4.788 -1.516 1.00 15.32 C ATOM 1568 CD2 LEU A 99 -1.056 -4.091 -1.513 1.00 74.21 C ATOM 0 H LEU A 99 -0.496 -5.073 2.566 1.00 0.05 H new ATOM 0 HA LEU A 99 -2.355 -5.805 0.352 1.00 61.53 H new ATOM 0 HB2 LEU A 99 0.628 -6.306 0.603 1.00 51.03 H new ATOM 0 HB3 LEU A 99 -0.397 -6.729 -0.754 1.00 51.03 H new ATOM 0 HG LEU A 99 0.312 -3.895 0.114 1.00 64.15 H new ATOM 0 HD11 LEU A 99 1.639 -3.837 -1.993 1.00 15.32 H new ATOM 0 HD12 LEU A 99 2.229 -5.090 -0.874 1.00 15.32 H new ATOM 0 HD13 LEU A 99 1.240 -5.547 -2.281 1.00 15.32 H new ATOM 0 HD21 LEU A 99 -0.766 -3.149 -1.978 1.00 74.21 H new ATOM 0 HD22 LEU A 99 -1.310 -4.815 -2.288 1.00 74.21 H new ATOM 0 HD23 LEU A 99 -1.922 -3.928 -0.871 1.00 74.21 H new ATOM 1580 N LEU A 100 -2.717 -8.066 1.466 1.00 54.45 N ATOM 1581 CA LEU A 100 -2.965 -9.373 2.116 1.00 23.01 C ATOM 1582 C LEU A 100 -3.239 -10.440 1.039 1.00 35.54 C ATOM 1583 O LEU A 100 -4.306 -10.452 0.423 1.00 64.13 O ATOM 1584 CB LEU A 100 -4.146 -9.256 3.145 1.00 14.34 C ATOM 1585 CG LEU A 100 -4.326 -10.424 4.199 1.00 35.01 C ATOM 1586 CD1 LEU A 100 -4.870 -11.741 3.575 1.00 30.34 C ATOM 1587 CD2 LEU A 100 -3.006 -10.688 4.973 1.00 43.12 C ATOM 0 H LEU A 100 -3.476 -7.758 0.858 1.00 54.45 H new ATOM 0 HA LEU A 100 -2.081 -9.680 2.676 1.00 23.01 H new ATOM 0 HB2 LEU A 100 -4.019 -8.324 3.696 1.00 14.34 H new ATOM 0 HB3 LEU A 100 -5.074 -9.168 2.581 1.00 14.34 H new ATOM 0 HG LEU A 100 -5.085 -10.079 4.901 1.00 35.01 H new ATOM 0 HD11 LEU A 100 -4.969 -12.498 4.353 1.00 30.34 H new ATOM 0 HD12 LEU A 100 -5.845 -11.554 3.124 1.00 30.34 H new ATOM 0 HD13 LEU A 100 -4.178 -12.094 2.810 1.00 30.34 H new ATOM 0 HD21 LEU A 100 -3.160 -11.495 5.690 1.00 43.12 H new ATOM 0 HD22 LEU A 100 -2.222 -10.971 4.270 1.00 43.12 H new ATOM 0 HD23 LEU A 100 -2.708 -9.784 5.503 1.00 43.12 H new ATOM 1599 N LEU A 101 -2.296 -11.368 0.878 1.00 63.14 N ATOM 1600 CA LEU A 101 -2.397 -12.488 -0.048 1.00 22.42 C ATOM 1601 C LEU A 101 -2.916 -13.681 0.760 1.00 13.01 C ATOM 1602 O LEU A 101 -2.295 -14.061 1.769 1.00 75.12 O ATOM 1603 CB LEU A 101 -1.010 -12.799 -0.657 1.00 32.23 C ATOM 1604 CG LEU A 101 -0.919 -14.081 -1.543 1.00 63.52 C ATOM 1605 CD1 LEU A 101 -1.566 -13.884 -2.933 1.00 44.05 C ATOM 1606 CD2 LEU A 101 0.538 -14.557 -1.652 1.00 25.31 C ATOM 0 H LEU A 101 -1.421 -11.359 1.402 1.00 63.14 H new ATOM 0 HA LEU A 101 -3.071 -12.261 -0.874 1.00 22.42 H new ATOM 0 HB2 LEU A 101 -0.700 -11.944 -1.258 1.00 32.23 H new ATOM 0 HB3 LEU A 101 -0.291 -12.893 0.157 1.00 32.23 H new ATOM 0 HG LEU A 101 -1.496 -14.863 -1.050 1.00 63.52 H new ATOM 0 HD11 LEU A 101 -1.476 -14.804 -3.510 1.00 44.05 H new ATOM 0 HD12 LEU A 101 -2.620 -13.633 -2.812 1.00 44.05 H new ATOM 0 HD13 LEU A 101 -1.059 -13.075 -3.459 1.00 44.05 H new ATOM 0 HD21 LEU A 101 0.583 -15.452 -2.273 1.00 25.31 H new ATOM 0 HD22 LEU A 101 1.145 -13.771 -2.103 1.00 25.31 H new ATOM 0 HD23 LEU A 101 0.921 -14.786 -0.658 1.00 25.31 H new ATOM 1618 N GLU A 102 -4.041 -14.249 0.318 1.00 42.33 N ATOM 1619 CA GLU A 102 -4.815 -15.247 1.083 1.00 25.23 C ATOM 1620 C GLU A 102 -4.069 -16.607 1.201 1.00 71.34 C ATOM 1621 O GLU A 102 -3.293 -16.962 0.310 1.00 64.31 O ATOM 1622 CB GLU A 102 -6.200 -15.427 0.410 1.00 1.41 C ATOM 1623 CG GLU A 102 -6.988 -14.115 0.234 1.00 51.42 C ATOM 1624 CD GLU A 102 -8.382 -14.321 -0.375 1.00 2.12 C ATOM 1625 OE1 GLU A 102 -8.476 -14.589 -1.586 1.00 52.44 O ATOM 1626 OE2 GLU A 102 -9.393 -14.207 0.355 1.00 43.41 O ATOM 0 H GLU A 102 -4.450 -14.031 -0.591 1.00 42.33 H new ATOM 0 HA GLU A 102 -4.943 -14.881 2.102 1.00 25.23 H new ATOM 0 HB2 GLU A 102 -6.060 -15.888 -0.568 1.00 1.41 H new ATOM 0 HB3 GLU A 102 -6.795 -16.119 1.007 1.00 1.41 H new ATOM 0 HG2 GLU A 102 -7.091 -13.628 1.204 1.00 51.42 H new ATOM 0 HG3 GLU A 102 -6.417 -13.439 -0.403 1.00 51.42 H new ATOM 1633 N PRO A 103 -4.275 -17.379 2.332 1.00 34.41 N ATOM 1634 CA PRO A 103 -3.633 -18.708 2.552 1.00 45.35 C ATOM 1635 C PRO A 103 -3.975 -19.737 1.451 1.00 3.12 C ATOM 1636 O PRO A 103 -5.060 -20.335 1.449 1.00 73.11 O ATOM 1637 CB PRO A 103 -4.159 -19.154 3.950 1.00 63.11 C ATOM 1638 CG PRO A 103 -4.633 -17.892 4.603 1.00 4.25 C ATOM 1639 CD PRO A 103 -5.139 -17.015 3.481 1.00 4.23 C ATOM 0 HA PRO A 103 -2.546 -18.641 2.511 1.00 45.35 H new ATOM 0 HB2 PRO A 103 -4.968 -19.878 3.855 1.00 63.11 H new ATOM 0 HB3 PRO A 103 -3.372 -19.630 4.535 1.00 63.11 H new ATOM 0 HG2 PRO A 103 -5.423 -18.098 5.325 1.00 4.25 H new ATOM 0 HG3 PRO A 103 -3.823 -17.404 5.146 1.00 4.25 H new ATOM 0 HD2 PRO A 103 -6.191 -17.206 3.267 1.00 4.23 H new ATOM 0 HD3 PRO A 103 -5.051 -15.957 3.729 1.00 4.23 H new ATOM 1647 N GLY A 104 -3.044 -19.895 0.489 1.00 33.33 N ATOM 1648 CA GLY A 104 -3.209 -20.809 -0.642 1.00 13.32 C ATOM 1649 C GLY A 104 -3.831 -20.122 -1.852 1.00 53.34 C ATOM 1650 O GLY A 104 -3.346 -20.280 -2.978 1.00 61.33 O ATOM 0 H GLY A 104 -2.158 -19.389 0.481 1.00 33.33 H new ATOM 0 HA2 GLY A 104 -2.238 -21.220 -0.919 1.00 13.32 H new ATOM 0 HA3 GLY A 104 -3.836 -21.648 -0.340 1.00 13.32 H new ATOM 1654 N ASN A 105 -4.904 -19.338 -1.614 1.00 43.34 N ATOM 1655 CA ASN A 105 -5.645 -18.637 -2.676 1.00 34.21 C ATOM 1656 C ASN A 105 -4.826 -17.452 -3.203 1.00 11.25 C ATOM 1657 O ASN A 105 -4.410 -16.582 -2.429 1.00 22.05 O ATOM 1658 CB ASN A 105 -7.014 -18.140 -2.155 1.00 73.14 C ATOM 1659 CG ASN A 105 -7.945 -17.697 -3.288 1.00 3.54 C ATOM 1660 OD1 ASN A 105 -8.725 -18.493 -3.808 1.00 75.24 O ATOM 1661 ND2 ASN A 105 -7.863 -16.442 -3.674 1.00 70.44 N ATOM 0 H ASN A 105 -5.278 -19.175 -0.679 1.00 43.34 H new ATOM 0 HA ASN A 105 -5.818 -19.341 -3.490 1.00 34.21 H new ATOM 0 HB2 ASN A 105 -7.493 -18.936 -1.585 1.00 73.14 H new ATOM 0 HB3 ASN A 105 -6.858 -17.307 -1.470 1.00 73.14 H new ATOM 0 HD21 ASN A 105 -8.459 -16.100 -4.428 1.00 70.44 H new ATOM 0 HD22 ASN A 105 -7.204 -15.811 -3.219 1.00 70.44 H new ATOM 1668 N SER A 106 -4.615 -17.432 -4.525 1.00 1.32 N ATOM 1669 CA SER A 106 -3.823 -16.404 -5.195 1.00 34.42 C ATOM 1670 C SER A 106 -4.681 -15.169 -5.509 1.00 1.31 C ATOM 1671 O SER A 106 -5.115 -14.963 -6.643 1.00 23.21 O ATOM 1672 CB SER A 106 -3.173 -17.001 -6.461 1.00 22.24 C ATOM 1673 OG SER A 106 -2.394 -18.143 -6.135 1.00 62.12 O ATOM 0 H SER A 106 -4.993 -18.135 -5.160 1.00 1.32 H new ATOM 0 HA SER A 106 -3.026 -16.068 -4.531 1.00 34.42 H new ATOM 0 HB2 SER A 106 -3.947 -17.275 -7.178 1.00 22.24 H new ATOM 0 HB3 SER A 106 -2.545 -16.251 -6.941 1.00 22.24 H new ATOM 0 HG SER A 106 -1.992 -18.508 -6.951 1.00 62.12 H new ATOM 1679 N GLU A 107 -4.986 -14.404 -4.448 1.00 54.14 N ATOM 1680 CA GLU A 107 -5.606 -13.063 -4.534 1.00 64.32 C ATOM 1681 C GLU A 107 -5.013 -12.170 -3.435 1.00 2.32 C ATOM 1682 O GLU A 107 -4.739 -12.640 -2.329 1.00 12.23 O ATOM 1683 CB GLU A 107 -7.155 -13.122 -4.397 1.00 52.42 C ATOM 1684 CG GLU A 107 -7.899 -13.728 -5.602 1.00 71.41 C ATOM 1685 CD GLU A 107 -9.419 -13.813 -5.408 1.00 1.21 C ATOM 1686 OE1 GLU A 107 -10.092 -12.760 -5.464 1.00 62.14 O ATOM 1687 OE2 GLU A 107 -9.956 -14.922 -5.196 1.00 0.22 O ATOM 0 H GLU A 107 -4.807 -14.701 -3.489 1.00 54.14 H new ATOM 0 HA GLU A 107 -5.389 -12.649 -5.519 1.00 64.32 H new ATOM 0 HB2 GLU A 107 -7.403 -13.702 -3.508 1.00 52.42 H new ATOM 0 HB3 GLU A 107 -7.528 -12.111 -4.232 1.00 52.42 H new ATOM 0 HG2 GLU A 107 -7.687 -13.129 -6.488 1.00 71.41 H new ATOM 0 HG3 GLU A 107 -7.509 -14.728 -5.793 1.00 71.41 H new ATOM 1694 N MET A 108 -4.854 -10.878 -3.749 1.00 21.23 N ATOM 1695 CA MET A 108 -4.256 -9.876 -2.850 1.00 3.15 C ATOM 1696 C MET A 108 -5.330 -8.841 -2.504 1.00 23.35 C ATOM 1697 O MET A 108 -6.038 -8.366 -3.387 1.00 61.15 O ATOM 1698 CB MET A 108 -3.037 -9.176 -3.519 1.00 32.22 C ATOM 1699 CG MET A 108 -2.372 -8.097 -2.640 1.00 40.11 C ATOM 1700 SD MET A 108 -1.061 -7.195 -3.494 1.00 32.21 S ATOM 1701 CE MET A 108 0.122 -8.497 -3.836 1.00 20.44 C ATOM 0 H MET A 108 -5.141 -10.491 -4.648 1.00 21.23 H new ATOM 0 HA MET A 108 -3.896 -10.370 -1.947 1.00 3.15 H new ATOM 0 HB2 MET A 108 -2.293 -9.931 -3.775 1.00 32.22 H new ATOM 0 HB3 MET A 108 -3.362 -8.719 -4.454 1.00 32.22 H new ATOM 0 HG2 MET A 108 -3.132 -7.391 -2.305 1.00 40.11 H new ATOM 0 HG3 MET A 108 -1.959 -8.568 -1.748 1.00 40.11 H new ATOM 0 HE1 MET A 108 0.997 -8.073 -4.329 1.00 20.44 H new ATOM 0 HE2 MET A 108 0.425 -8.968 -2.901 1.00 20.44 H new ATOM 0 HE3 MET A 108 -0.335 -9.242 -4.487 1.00 20.44 H new ATOM 1711 N GLN A 109 -5.431 -8.494 -1.225 1.00 75.03 N ATOM 1712 CA GLN A 109 -6.379 -7.504 -0.720 1.00 45.20 C ATOM 1713 C GLN A 109 -5.610 -6.213 -0.469 1.00 73.22 C ATOM 1714 O GLN A 109 -4.694 -6.186 0.352 1.00 10.13 O ATOM 1715 CB GLN A 109 -7.040 -8.012 0.589 1.00 12.03 C ATOM 1716 CG GLN A 109 -7.920 -9.257 0.393 1.00 54.53 C ATOM 1717 CD GLN A 109 -8.456 -9.813 1.712 1.00 21.12 C ATOM 1718 OE1 GLN A 109 -7.727 -10.741 2.305 1.00 60.03 O flip ATOM 1719 NE2 GLN A 109 -9.520 -9.414 2.187 1.00 71.12 N flip ATOM 0 H GLN A 109 -4.845 -8.900 -0.495 1.00 75.03 H new ATOM 0 HA GLN A 109 -7.175 -7.332 -1.444 1.00 45.20 H new ATOM 0 HB2 GLN A 109 -6.260 -8.240 1.315 1.00 12.03 H new ATOM 0 HB3 GLN A 109 -7.647 -7.212 1.014 1.00 12.03 H new ATOM 0 HG2 GLN A 109 -8.757 -9.006 -0.258 1.00 54.53 H new ATOM 0 HG3 GLN A 109 -7.342 -10.029 -0.114 1.00 54.53 H new ATOM 0 HE21 GLN A 109 -10.058 -8.696 1.702 1.00 71.12 H new ATOM 0 HE22 GLN A 109 -9.864 -9.802 3.066 1.00 71.12 H new ATOM 1728 N ILE A 110 -5.993 -5.158 -1.181 1.00 40.15 N ATOM 1729 CA ILE A 110 -5.364 -3.846 -1.072 1.00 3.34 C ATOM 1730 C ILE A 110 -6.285 -3.010 -0.165 1.00 23.43 C ATOM 1731 O ILE A 110 -7.410 -2.699 -0.551 1.00 44.31 O ATOM 1732 CB ILE A 110 -5.197 -3.131 -2.489 1.00 64.23 C ATOM 1733 CG1 ILE A 110 -4.251 -3.923 -3.471 1.00 53.52 C ATOM 1734 CG2 ILE A 110 -4.691 -1.682 -2.314 1.00 13.52 C ATOM 1735 CD1 ILE A 110 -4.829 -5.200 -4.085 1.00 2.11 C ATOM 0 H ILE A 110 -6.756 -5.190 -1.857 1.00 40.15 H new ATOM 0 HA ILE A 110 -4.358 -3.946 -0.666 1.00 3.34 H new ATOM 0 HB ILE A 110 -6.187 -3.116 -2.944 1.00 64.23 H new ATOM 0 HG12 ILE A 110 -3.962 -3.254 -4.281 1.00 53.52 H new ATOM 0 HG13 ILE A 110 -3.340 -4.184 -2.933 1.00 53.52 H new ATOM 0 HG21 ILE A 110 -4.584 -1.213 -3.292 1.00 13.52 H new ATOM 0 HG22 ILE A 110 -5.406 -1.116 -1.717 1.00 13.52 H new ATOM 0 HG23 ILE A 110 -3.725 -1.692 -1.809 1.00 13.52 H new ATOM 0 HD11 ILE A 110 -4.088 -5.656 -4.741 1.00 2.11 H new ATOM 0 HD12 ILE A 110 -5.090 -5.900 -3.291 1.00 2.11 H new ATOM 0 HD13 ILE A 110 -5.721 -4.955 -4.661 1.00 2.11 H new ATOM 1747 N SER A 111 -5.807 -2.668 1.035 1.00 63.33 N ATOM 1748 CA SER A 111 -6.575 -1.902 2.015 1.00 52.41 C ATOM 1749 C SER A 111 -5.964 -0.507 2.087 1.00 71.11 C ATOM 1750 O SER A 111 -4.877 -0.334 2.640 1.00 24.32 O ATOM 1751 CB SER A 111 -6.506 -2.618 3.388 1.00 72.14 C ATOM 1752 OG SER A 111 -6.878 -3.986 3.272 1.00 73.00 O ATOM 0 H SER A 111 -4.871 -2.917 1.354 1.00 63.33 H new ATOM 0 HA SER A 111 -7.625 -1.825 1.731 1.00 52.41 H new ATOM 0 HB2 SER A 111 -5.495 -2.546 3.789 1.00 72.14 H new ATOM 0 HB3 SER A 111 -7.166 -2.117 4.096 1.00 72.14 H new ATOM 0 HG SER A 111 -6.411 -4.511 3.955 1.00 73.00 H new ATOM 1758 N VAL A 112 -6.648 0.475 1.494 1.00 33.20 N ATOM 1759 CA VAL A 112 -6.168 1.862 1.436 1.00 55.54 C ATOM 1760 C VAL A 112 -6.954 2.711 2.442 1.00 20.31 C ATOM 1761 O VAL A 112 -8.185 2.616 2.533 1.00 2.30 O ATOM 1762 CB VAL A 112 -6.312 2.496 -0.005 1.00 5.14 C ATOM 1763 CG1 VAL A 112 -5.698 3.920 -0.061 1.00 70.35 C ATOM 1764 CG2 VAL A 112 -5.690 1.583 -1.082 1.00 24.35 C ATOM 0 H VAL A 112 -7.550 0.333 1.040 1.00 33.20 H new ATOM 0 HA VAL A 112 -5.106 1.850 1.682 1.00 55.54 H new ATOM 0 HB VAL A 112 -7.377 2.586 -0.217 1.00 5.14 H new ATOM 0 HG11 VAL A 112 -5.814 4.327 -1.066 1.00 70.35 H new ATOM 0 HG12 VAL A 112 -6.210 4.565 0.653 1.00 70.35 H new ATOM 0 HG13 VAL A 112 -4.638 3.870 0.190 1.00 70.35 H new ATOM 0 HG21 VAL A 112 -5.805 2.046 -2.062 1.00 24.35 H new ATOM 0 HG22 VAL A 112 -4.630 1.440 -0.870 1.00 24.35 H new ATOM 0 HG23 VAL A 112 -6.195 0.617 -1.076 1.00 24.35 H new ATOM 1774 N LYS A 113 -6.218 3.510 3.197 1.00 34.02 N ATOM 1775 CA LYS A 113 -6.757 4.568 4.047 1.00 12.45 C ATOM 1776 C LYS A 113 -5.768 5.727 4.037 1.00 34.04 C ATOM 1777 O LYS A 113 -4.599 5.555 3.672 1.00 61.40 O ATOM 1778 CB LYS A 113 -7.026 4.069 5.490 1.00 35.31 C ATOM 1779 CG LYS A 113 -5.783 3.596 6.267 1.00 50.12 C ATOM 1780 CD LYS A 113 -6.127 3.102 7.689 1.00 72.15 C ATOM 1781 CE LYS A 113 -7.101 1.914 7.702 1.00 71.01 C ATOM 1782 NZ LYS A 113 -7.355 1.421 9.083 1.00 4.30 N ATOM 0 H LYS A 113 -5.201 3.442 3.239 1.00 34.02 H new ATOM 0 HA LYS A 113 -7.721 4.894 3.657 1.00 12.45 H new ATOM 0 HB2 LYS A 113 -7.501 4.873 6.052 1.00 35.31 H new ATOM 0 HB3 LYS A 113 -7.740 3.247 5.445 1.00 35.31 H new ATOM 0 HG2 LYS A 113 -5.297 2.792 5.714 1.00 50.12 H new ATOM 0 HG3 LYS A 113 -5.067 4.415 6.334 1.00 50.12 H new ATOM 0 HD2 LYS A 113 -5.207 2.814 8.198 1.00 72.15 H new ATOM 0 HD3 LYS A 113 -6.561 3.925 8.257 1.00 72.15 H new ATOM 0 HE2 LYS A 113 -8.044 2.212 7.244 1.00 71.01 H new ATOM 0 HE3 LYS A 113 -6.694 1.104 7.096 1.00 71.01 H new ATOM 0 HZ1 LYS A 113 -7.093 0.417 9.147 1.00 4.30 H new ATOM 0 HZ2 LYS A 113 -6.786 1.971 9.758 1.00 4.30 H new ATOM 0 HZ3 LYS A 113 -8.364 1.531 9.311 1.00 4.30 H new ATOM 1796 N GLN A 114 -6.240 6.899 4.419 1.00 75.52 N ATOM 1797 CA GLN A 114 -5.436 8.114 4.422 1.00 20.32 C ATOM 1798 C GLN A 114 -5.944 9.066 5.507 1.00 10.13 C ATOM 1799 O GLN A 114 -7.042 8.873 6.034 1.00 64.35 O ATOM 1800 CB GLN A 114 -5.450 8.763 3.014 1.00 22.42 C ATOM 1801 CG GLN A 114 -6.848 9.034 2.432 1.00 11.43 C ATOM 1802 CD GLN A 114 -6.807 9.746 1.079 1.00 40.43 C ATOM 1803 OE1 GLN A 114 -5.895 10.530 0.809 1.00 44.20 O ATOM 1804 NE2 GLN A 114 -7.791 9.489 0.224 1.00 72.23 N ATOM 0 H GLN A 114 -7.198 7.039 4.739 1.00 75.52 H new ATOM 0 HA GLN A 114 -4.399 7.874 4.656 1.00 20.32 H new ATOM 0 HB2 GLN A 114 -4.904 9.705 3.060 1.00 22.42 H new ATOM 0 HB3 GLN A 114 -4.907 8.114 2.327 1.00 22.42 H new ATOM 0 HG2 GLN A 114 -7.379 8.088 2.322 1.00 11.43 H new ATOM 0 HG3 GLN A 114 -7.418 9.639 3.137 1.00 11.43 H new ATOM 0 HE21 GLN A 114 -8.531 8.835 0.479 1.00 72.23 H new ATOM 0 HE22 GLN A 114 -7.807 9.946 -0.688 1.00 72.23 H new ATOM 1813 N ASN A 115 -5.115 10.073 5.843 1.00 71.43 N ATOM 1814 CA ASN A 115 -5.367 11.035 6.943 1.00 60.01 C ATOM 1815 C ASN A 115 -6.741 11.706 6.787 1.00 13.14 C ATOM 1816 O ASN A 115 -7.550 11.719 7.721 1.00 54.14 O ATOM 1817 CB ASN A 115 -4.222 12.095 6.981 1.00 21.41 C ATOM 1818 CG ASN A 115 -4.226 13.033 8.211 1.00 52.15 C ATOM 1819 OD1 ASN A 115 -5.265 13.374 8.769 1.00 12.15 O ATOM 1820 ND2 ASN A 115 -3.047 13.461 8.644 1.00 45.12 N ATOM 0 H ASN A 115 -4.237 10.247 5.353 1.00 71.43 H new ATOM 0 HA ASN A 115 -5.378 10.495 7.890 1.00 60.01 H new ATOM 0 HB2 ASN A 115 -3.266 11.573 6.947 1.00 21.41 H new ATOM 0 HB3 ASN A 115 -4.285 12.705 6.080 1.00 21.41 H new ATOM 0 HD21 ASN A 115 -2.995 14.082 9.451 1.00 45.12 H new ATOM 0 HD22 ASN A 115 -2.193 13.169 8.170 1.00 45.12 H new ATOM 1827 N GLU A 116 -6.984 12.254 5.599 1.00 32.15 N ATOM 1828 CA GLU A 116 -8.267 12.853 5.215 1.00 63.25 C ATOM 1829 C GLU A 116 -8.594 12.359 3.797 1.00 40.43 C ATOM 1830 O GLU A 116 -7.803 12.594 2.871 1.00 54.31 O ATOM 1831 CB GLU A 116 -8.173 14.409 5.264 1.00 25.12 C ATOM 1832 CG GLU A 116 -7.871 14.991 6.669 1.00 22.34 C ATOM 1833 CD GLU A 116 -7.713 16.521 6.692 1.00 71.22 C ATOM 1834 OE1 GLU A 116 -8.740 17.234 6.603 1.00 4.14 O ATOM 1835 OE2 GLU A 116 -6.567 17.020 6.791 1.00 42.05 O ATOM 0 H GLU A 116 -6.283 12.297 4.859 1.00 32.15 H new ATOM 0 HA GLU A 116 -9.058 12.559 5.905 1.00 63.25 H new ATOM 0 HB2 GLU A 116 -7.394 14.735 4.574 1.00 25.12 H new ATOM 0 HB3 GLU A 116 -9.113 14.829 4.905 1.00 25.12 H new ATOM 0 HG2 GLU A 116 -8.675 14.709 7.348 1.00 22.34 H new ATOM 0 HG3 GLU A 116 -6.957 14.536 7.051 1.00 22.34 H new ATOM 1842 N ALA A 117 -9.737 11.654 3.631 1.00 3.10 N ATOM 1843 CA ALA A 117 -10.086 11.016 2.352 1.00 72.24 C ATOM 1844 C ALA A 117 -10.486 12.080 1.319 1.00 24.14 C ATOM 1845 O ALA A 117 -11.504 12.754 1.477 1.00 73.33 O ATOM 1846 CB ALA A 117 -11.208 9.984 2.558 1.00 73.14 C ATOM 0 H ALA A 117 -10.428 11.516 4.368 1.00 3.10 H new ATOM 0 HA ALA A 117 -9.213 10.488 1.968 1.00 72.24 H new ATOM 0 HB1 ALA A 117 -11.456 9.520 1.603 1.00 73.14 H new ATOM 0 HB2 ALA A 117 -10.874 9.218 3.258 1.00 73.14 H new ATOM 0 HB3 ALA A 117 -12.091 10.482 2.959 1.00 73.14 H new ATOM 1852 N ARG A 118 -9.653 12.231 0.277 1.00 54.35 N ATOM 1853 CA ARG A 118 -9.915 13.125 -0.857 1.00 4.32 C ATOM 1854 C ARG A 118 -10.154 12.241 -2.093 1.00 23.33 C ATOM 1855 O ARG A 118 -9.559 11.152 -2.186 1.00 43.24 O ATOM 1856 CB ARG A 118 -8.711 14.092 -0.993 1.00 51.05 C ATOM 1857 CG ARG A 118 -8.789 15.138 -2.114 1.00 74.53 C ATOM 1858 CD ARG A 118 -7.589 16.106 -2.077 1.00 71.35 C ATOM 1859 NE ARG A 118 -7.604 17.079 -3.182 1.00 55.34 N ATOM 1860 CZ ARG A 118 -6.910 18.233 -3.208 1.00 70.14 C ATOM 1861 NH1 ARG A 118 -6.142 18.601 -2.185 1.00 64.12 N ATOM 1862 NH2 ARG A 118 -6.951 18.989 -4.290 1.00 24.41 N ATOM 0 H ARG A 118 -8.769 11.729 0.200 1.00 54.35 H new ATOM 0 HA ARG A 118 -10.801 13.746 -0.726 1.00 4.32 H new ATOM 0 HB2 ARG A 118 -8.588 14.617 -0.046 1.00 51.05 H new ATOM 0 HB3 ARG A 118 -7.811 13.496 -1.146 1.00 51.05 H new ATOM 0 HG2 ARG A 118 -8.820 14.634 -3.080 1.00 74.53 H new ATOM 0 HG3 ARG A 118 -9.716 15.704 -2.020 1.00 74.53 H new ATOM 0 HD2 ARG A 118 -7.590 16.642 -1.128 1.00 71.35 H new ATOM 0 HD3 ARG A 118 -6.664 15.531 -2.118 1.00 71.35 H new ATOM 0 HE ARG A 118 -8.186 16.862 -3.991 1.00 55.34 H new ATOM 0 HH11 ARG A 118 -6.071 18.005 -1.361 1.00 64.12 H new ATOM 0 HH12 ARG A 118 -5.625 19.479 -2.226 1.00 64.12 H new ATOM 0 HH21 ARG A 118 -7.505 18.697 -5.095 1.00 24.41 H new ATOM 0 HH22 ARG A 118 -6.429 19.865 -4.320 1.00 24.41 H new ATOM 1876 N THR A 119 -11.037 12.675 -3.014 1.00 34.21 N ATOM 1877 CA THR A 119 -11.461 11.856 -4.167 1.00 22.10 C ATOM 1878 C THR A 119 -10.260 11.531 -5.088 1.00 34.22 C ATOM 1879 O THR A 119 -9.985 10.359 -5.367 1.00 12.04 O ATOM 1880 CB THR A 119 -12.601 12.565 -4.984 1.00 4.34 C ATOM 1881 OG1 THR A 119 -13.638 13.000 -4.088 1.00 1.14 O ATOM 1882 CG2 THR A 119 -13.222 11.647 -6.062 1.00 63.03 C ATOM 0 H THR A 119 -11.474 13.596 -2.981 1.00 34.21 H new ATOM 0 HA THR A 119 -11.858 10.920 -3.774 1.00 22.10 H new ATOM 0 HB THR A 119 -12.146 13.414 -5.494 1.00 4.34 H new ATOM 0 HG1 THR A 119 -14.347 13.443 -4.599 1.00 1.14 H new ATOM 0 HG21 THR A 119 -14.003 12.189 -6.595 1.00 63.03 H new ATOM 0 HG22 THR A 119 -12.449 11.339 -6.766 1.00 63.03 H new ATOM 0 HG23 THR A 119 -13.652 10.766 -5.586 1.00 63.03 H new ATOM 1890 N GLU A 120 -9.522 12.583 -5.490 1.00 11.33 N ATOM 1891 CA GLU A 120 -8.364 12.455 -6.402 1.00 62.14 C ATOM 1892 C GLU A 120 -7.226 11.644 -5.769 1.00 43.14 C ATOM 1893 O GLU A 120 -6.623 10.815 -6.448 1.00 33.53 O ATOM 1894 CB GLU A 120 -7.849 13.845 -6.845 1.00 75.42 C ATOM 1895 CG GLU A 120 -7.415 14.752 -5.688 1.00 75.14 C ATOM 1896 CD GLU A 120 -6.935 16.124 -6.149 1.00 32.53 C ATOM 1897 OE1 GLU A 120 -7.775 17.041 -6.313 1.00 54.42 O ATOM 1898 OE2 GLU A 120 -5.720 16.296 -6.355 1.00 54.03 O ATOM 0 H GLU A 120 -9.708 13.541 -5.195 1.00 11.33 H new ATOM 0 HA GLU A 120 -8.710 11.914 -7.283 1.00 62.14 H new ATOM 0 HB2 GLU A 120 -7.005 13.709 -7.521 1.00 75.42 H new ATOM 0 HB3 GLU A 120 -8.633 14.347 -7.411 1.00 75.42 H new ATOM 0 HG2 GLU A 120 -8.251 14.879 -5.001 1.00 75.14 H new ATOM 0 HG3 GLU A 120 -6.616 14.263 -5.131 1.00 75.14 H new ATOM 1905 N THR A 121 -6.954 11.875 -4.464 1.00 62.22 N ATOM 1906 CA THR A 121 -5.867 11.185 -3.758 1.00 33.44 C ATOM 1907 C THR A 121 -6.112 9.675 -3.727 1.00 21.22 C ATOM 1908 O THR A 121 -5.261 8.910 -4.159 1.00 5.24 O ATOM 1909 CB THR A 121 -5.686 11.719 -2.298 1.00 24.23 C ATOM 1910 OG1 THR A 121 -6.917 11.605 -1.563 1.00 62.43 O ATOM 1911 CG2 THR A 121 -5.201 13.177 -2.269 1.00 43.20 C ATOM 0 H THR A 121 -7.475 12.534 -3.886 1.00 62.22 H new ATOM 0 HA THR A 121 -4.950 11.390 -4.310 1.00 33.44 H new ATOM 0 HB THR A 121 -4.920 11.102 -1.828 1.00 24.23 H new ATOM 0 HG1 THR A 121 -7.671 11.582 -2.189 1.00 62.43 H new ATOM 0 HG21 THR A 121 -5.090 13.503 -1.235 1.00 43.20 H new ATOM 0 HG22 THR A 121 -4.240 13.251 -2.778 1.00 43.20 H new ATOM 0 HG23 THR A 121 -5.929 13.813 -2.774 1.00 43.20 H new ATOM 1919 N LEU A 122 -7.323 9.279 -3.296 1.00 71.52 N ATOM 1920 CA LEU A 122 -7.703 7.872 -3.146 1.00 52.45 C ATOM 1921 C LEU A 122 -7.704 7.137 -4.503 1.00 70.24 C ATOM 1922 O LEU A 122 -6.977 6.160 -4.667 1.00 31.33 O ATOM 1923 CB LEU A 122 -9.100 7.775 -2.466 1.00 63.23 C ATOM 1924 CG LEU A 122 -9.634 6.335 -2.183 1.00 15.31 C ATOM 1925 CD1 LEU A 122 -8.700 5.554 -1.236 1.00 72.13 C ATOM 1926 CD2 LEU A 122 -11.075 6.367 -1.632 1.00 2.42 C ATOM 0 H LEU A 122 -8.065 9.932 -3.042 1.00 71.52 H new ATOM 0 HA LEU A 122 -6.962 7.383 -2.514 1.00 52.45 H new ATOM 0 HB2 LEU A 122 -9.059 8.316 -1.521 1.00 63.23 H new ATOM 0 HB3 LEU A 122 -9.824 8.290 -3.097 1.00 63.23 H new ATOM 0 HG LEU A 122 -9.650 5.808 -3.137 1.00 15.31 H new ATOM 0 HD11 LEU A 122 -9.107 4.557 -1.064 1.00 72.13 H new ATOM 0 HD12 LEU A 122 -7.712 5.470 -1.688 1.00 72.13 H new ATOM 0 HD13 LEU A 122 -8.621 6.082 -0.286 1.00 72.13 H new ATOM 0 HD21 LEU A 122 -11.416 5.349 -1.446 1.00 2.42 H new ATOM 0 HD22 LEU A 122 -11.096 6.933 -0.700 1.00 2.42 H new ATOM 0 HD23 LEU A 122 -11.732 6.842 -2.360 1.00 2.42 H new ATOM 1938 N ASN A 123 -8.472 7.661 -5.483 1.00 1.43 N ATOM 1939 CA ASN A 123 -8.669 6.993 -6.791 1.00 0.42 C ATOM 1940 C ASN A 123 -7.347 6.858 -7.576 1.00 65.31 C ATOM 1941 O ASN A 123 -7.047 5.786 -8.112 1.00 35.24 O ATOM 1942 CB ASN A 123 -9.723 7.736 -7.663 1.00 30.52 C ATOM 1943 CG ASN A 123 -11.172 7.484 -7.228 1.00 50.34 C ATOM 1944 OD1 ASN A 123 -11.750 6.450 -7.564 1.00 41.22 O ATOM 1945 ND2 ASN A 123 -11.787 8.450 -6.566 1.00 73.53 N ATOM 0 H ASN A 123 -8.968 8.548 -5.394 1.00 1.43 H new ATOM 0 HA ASN A 123 -9.041 5.993 -6.570 1.00 0.42 H new ATOM 0 HB2 ASN A 123 -9.523 8.807 -7.625 1.00 30.52 H new ATOM 0 HB3 ASN A 123 -9.606 7.426 -8.701 1.00 30.52 H new ATOM 0 HD21 ASN A 123 -12.771 8.352 -6.318 1.00 73.53 H new ATOM 0 HD22 ASN A 123 -11.277 9.293 -6.304 1.00 73.53 H new ATOM 1952 N SER A 124 -6.565 7.952 -7.633 1.00 42.53 N ATOM 1953 CA SER A 124 -5.302 7.992 -8.403 1.00 74.10 C ATOM 1954 C SER A 124 -4.218 7.117 -7.736 1.00 50.41 C ATOM 1955 O SER A 124 -3.381 6.535 -8.429 1.00 1.50 O ATOM 1956 CB SER A 124 -4.818 9.451 -8.572 1.00 53.30 C ATOM 1957 OG SER A 124 -3.657 9.536 -9.381 1.00 50.31 O ATOM 0 H SER A 124 -6.785 8.825 -7.154 1.00 42.53 H new ATOM 0 HA SER A 124 -5.492 7.580 -9.394 1.00 74.10 H new ATOM 0 HB2 SER A 124 -5.614 10.048 -9.017 1.00 53.30 H new ATOM 0 HB3 SER A 124 -4.609 9.879 -7.592 1.00 53.30 H new ATOM 0 HG SER A 124 -3.384 10.474 -9.464 1.00 50.31 H new ATOM 1963 N PHE A 125 -4.261 7.029 -6.390 1.00 70.03 N ATOM 1964 CA PHE A 125 -3.331 6.193 -5.595 1.00 73.13 C ATOM 1965 C PHE A 125 -3.581 4.689 -5.857 1.00 41.24 C ATOM 1966 O PHE A 125 -2.631 3.915 -6.036 1.00 5.34 O ATOM 1967 CB PHE A 125 -3.491 6.521 -4.092 1.00 63.14 C ATOM 1968 CG PHE A 125 -2.515 5.815 -3.157 1.00 3.20 C ATOM 1969 CD1 PHE A 125 -1.223 6.299 -2.981 1.00 52.14 C ATOM 1970 CD2 PHE A 125 -2.893 4.680 -2.448 1.00 52.23 C ATOM 1971 CE1 PHE A 125 -0.339 5.671 -2.129 1.00 11.54 C ATOM 1972 CE2 PHE A 125 -2.011 4.055 -1.598 1.00 12.52 C ATOM 1973 CZ PHE A 125 -0.732 4.548 -1.434 1.00 51.52 C ATOM 0 H PHE A 125 -4.941 7.535 -5.822 1.00 70.03 H new ATOM 0 HA PHE A 125 -2.309 6.417 -5.900 1.00 73.13 H new ATOM 0 HB2 PHE A 125 -3.380 7.597 -3.959 1.00 63.14 H new ATOM 0 HB3 PHE A 125 -4.506 6.266 -3.789 1.00 63.14 H new ATOM 0 HD1 PHE A 125 -0.907 7.180 -3.520 1.00 52.14 H new ATOM 0 HD2 PHE A 125 -3.891 4.285 -2.566 1.00 52.23 H new ATOM 0 HE1 PHE A 125 0.661 6.059 -2.007 1.00 11.54 H new ATOM 0 HE2 PHE A 125 -2.321 3.174 -1.056 1.00 12.52 H new ATOM 0 HZ PHE A 125 -0.043 4.056 -0.764 1.00 51.52 H new ATOM 1983 N ILE A 126 -4.872 4.296 -5.869 1.00 23.32 N ATOM 1984 CA ILE A 126 -5.304 2.919 -6.198 1.00 25.10 C ATOM 1985 C ILE A 126 -4.902 2.583 -7.647 1.00 33.24 C ATOM 1986 O ILE A 126 -4.440 1.476 -7.921 1.00 52.02 O ATOM 1987 CB ILE A 126 -6.864 2.743 -6.011 1.00 75.22 C ATOM 1988 CG1 ILE A 126 -7.287 3.050 -4.537 1.00 22.24 C ATOM 1989 CG2 ILE A 126 -7.337 1.322 -6.424 1.00 35.20 C ATOM 1990 CD1 ILE A 126 -8.784 3.166 -4.331 1.00 32.42 C ATOM 0 H ILE A 126 -5.646 4.924 -5.651 1.00 23.32 H new ATOM 0 HA ILE A 126 -4.808 2.232 -5.512 1.00 25.10 H new ATOM 0 HB ILE A 126 -7.351 3.461 -6.671 1.00 75.22 H new ATOM 0 HG12 ILE A 126 -6.902 2.262 -3.889 1.00 22.24 H new ATOM 0 HG13 ILE A 126 -6.815 3.981 -4.222 1.00 22.24 H new ATOM 0 HG21 ILE A 126 -8.415 1.241 -6.281 1.00 35.20 H new ATOM 0 HG22 ILE A 126 -7.096 1.149 -7.473 1.00 35.20 H new ATOM 0 HG23 ILE A 126 -6.832 0.577 -5.808 1.00 35.20 H new ATOM 0 HD11 ILE A 126 -8.992 3.380 -3.282 1.00 32.42 H new ATOM 0 HD12 ILE A 126 -9.175 3.973 -4.950 1.00 32.42 H new ATOM 0 HD13 ILE A 126 -9.264 2.228 -4.612 1.00 32.42 H new ATOM 2002 N SER A 127 -5.055 3.575 -8.548 1.00 63.51 N ATOM 2003 CA SER A 127 -4.679 3.460 -9.969 1.00 64.04 C ATOM 2004 C SER A 127 -3.174 3.140 -10.124 1.00 73.32 C ATOM 2005 O SER A 127 -2.795 2.317 -10.974 1.00 71.53 O ATOM 2006 CB SER A 127 -5.055 4.758 -10.723 1.00 44.23 C ATOM 2007 OG SER A 127 -4.886 4.623 -12.123 1.00 31.03 O ATOM 0 H SER A 127 -5.446 4.485 -8.306 1.00 63.51 H new ATOM 0 HA SER A 127 -5.234 2.631 -10.408 1.00 64.04 H new ATOM 0 HB2 SER A 127 -6.091 5.017 -10.506 1.00 44.23 H new ATOM 0 HB3 SER A 127 -4.438 5.580 -10.360 1.00 44.23 H new ATOM 0 HG SER A 127 -5.135 5.462 -12.565 1.00 31.03 H new ATOM 2013 N VAL A 128 -2.334 3.782 -9.270 1.00 24.54 N ATOM 2014 CA VAL A 128 -0.888 3.488 -9.189 1.00 12.12 C ATOM 2015 C VAL A 128 -0.678 2.007 -8.814 1.00 61.52 C ATOM 2016 O VAL A 128 -0.036 1.275 -9.556 1.00 70.24 O ATOM 2017 CB VAL A 128 -0.142 4.421 -8.146 1.00 61.23 C ATOM 2018 CG1 VAL A 128 1.343 4.018 -7.957 1.00 2.03 C ATOM 2019 CG2 VAL A 128 -0.255 5.910 -8.548 1.00 72.50 C ATOM 0 H VAL A 128 -2.642 4.511 -8.626 1.00 24.54 H new ATOM 0 HA VAL A 128 -0.457 3.689 -10.170 1.00 12.12 H new ATOM 0 HB VAL A 128 -0.641 4.283 -7.187 1.00 61.23 H new ATOM 0 HG11 VAL A 128 1.812 4.685 -7.234 1.00 2.03 H new ATOM 0 HG12 VAL A 128 1.398 2.992 -7.593 1.00 2.03 H new ATOM 0 HG13 VAL A 128 1.865 4.093 -8.911 1.00 2.03 H new ATOM 0 HG21 VAL A 128 0.266 6.525 -7.814 1.00 72.50 H new ATOM 0 HG22 VAL A 128 0.195 6.057 -9.530 1.00 72.50 H new ATOM 0 HG23 VAL A 128 -1.306 6.199 -8.583 1.00 72.50 H new ATOM 2029 N LEU A 129 -1.285 1.588 -7.684 1.00 50.31 N ATOM 2030 CA LEU A 129 -1.144 0.220 -7.124 1.00 71.43 C ATOM 2031 C LEU A 129 -1.573 -0.888 -8.114 1.00 24.45 C ATOM 2032 O LEU A 129 -0.911 -1.923 -8.209 1.00 75.43 O ATOM 2033 CB LEU A 129 -1.954 0.102 -5.808 1.00 3.12 C ATOM 2034 CG LEU A 129 -1.534 1.075 -4.661 1.00 21.43 C ATOM 2035 CD1 LEU A 129 -2.448 0.895 -3.438 1.00 72.12 C ATOM 2036 CD2 LEU A 129 -0.038 0.909 -4.278 1.00 72.04 C ATOM 0 H LEU A 129 -1.892 2.191 -7.128 1.00 50.31 H new ATOM 0 HA LEU A 129 -0.083 0.067 -6.925 1.00 71.43 H new ATOM 0 HB2 LEU A 129 -3.007 0.271 -6.035 1.00 3.12 H new ATOM 0 HB3 LEU A 129 -1.868 -0.921 -5.441 1.00 3.12 H new ATOM 0 HG LEU A 129 -1.654 2.093 -5.031 1.00 21.43 H new ATOM 0 HD11 LEU A 129 -2.140 1.581 -2.649 1.00 72.12 H new ATOM 0 HD12 LEU A 129 -3.479 1.106 -3.720 1.00 72.12 H new ATOM 0 HD13 LEU A 129 -2.374 -0.130 -3.076 1.00 72.12 H new ATOM 0 HD21 LEU A 129 0.212 1.605 -3.477 1.00 72.04 H new ATOM 0 HD22 LEU A 129 0.140 -0.112 -3.941 1.00 72.04 H new ATOM 0 HD23 LEU A 129 0.585 1.118 -5.147 1.00 72.04 H new ATOM 2048 N GLU A 130 -2.680 -0.650 -8.836 1.00 60.32 N ATOM 2049 CA GLU A 130 -3.183 -1.563 -9.881 1.00 42.44 C ATOM 2050 C GLU A 130 -2.154 -1.693 -11.019 1.00 20.04 C ATOM 2051 O GLU A 130 -1.904 -2.792 -11.513 1.00 24.20 O ATOM 2052 CB GLU A 130 -4.550 -1.079 -10.438 1.00 41.44 C ATOM 2053 CG GLU A 130 -5.711 -1.102 -9.425 1.00 33.21 C ATOM 2054 CD GLU A 130 -7.044 -0.692 -10.061 1.00 1.22 C ATOM 2055 OE1 GLU A 130 -7.752 -1.567 -10.604 1.00 60.11 O ATOM 2056 OE2 GLU A 130 -7.374 0.509 -10.060 1.00 12.41 O ATOM 0 H GLU A 130 -3.255 0.183 -8.713 1.00 60.32 H new ATOM 0 HA GLU A 130 -3.333 -2.544 -9.429 1.00 42.44 H new ATOM 0 HB2 GLU A 130 -4.434 -0.062 -10.811 1.00 41.44 H new ATOM 0 HB3 GLU A 130 -4.819 -1.702 -11.291 1.00 41.44 H new ATOM 0 HG2 GLU A 130 -5.804 -2.103 -9.005 1.00 33.21 H new ATOM 0 HG3 GLU A 130 -5.483 -0.429 -8.598 1.00 33.21 H new ATOM 2063 N THR A 131 -1.551 -0.557 -11.408 1.00 14.23 N ATOM 2064 CA THR A 131 -0.491 -0.526 -12.426 1.00 43.15 C ATOM 2065 C THR A 131 0.774 -1.272 -11.934 1.00 24.23 C ATOM 2066 O THR A 131 1.405 -1.962 -12.715 1.00 35.55 O ATOM 2067 CB THR A 131 -0.137 0.943 -12.818 1.00 52.10 C ATOM 2068 OG1 THR A 131 -1.337 1.623 -13.230 1.00 53.21 O ATOM 2069 CG2 THR A 131 0.897 1.033 -13.955 1.00 72.22 C ATOM 0 H THR A 131 -1.784 0.360 -11.027 1.00 14.23 H new ATOM 0 HA THR A 131 -0.867 -1.038 -13.312 1.00 43.15 H new ATOM 0 HB THR A 131 0.305 1.410 -11.938 1.00 52.10 H new ATOM 0 HG1 THR A 131 -1.853 1.885 -12.439 1.00 53.21 H new ATOM 0 HG21 THR A 131 1.100 2.080 -14.180 1.00 72.22 H new ATOM 0 HG22 THR A 131 1.820 0.543 -13.647 1.00 72.22 H new ATOM 0 HG23 THR A 131 0.504 0.540 -14.844 1.00 72.22 H new ATOM 2077 N VAL A 132 1.099 -1.143 -10.626 1.00 34.20 N ATOM 2078 CA VAL A 132 2.282 -1.799 -10.002 1.00 44.45 C ATOM 2079 C VAL A 132 2.149 -3.323 -10.076 1.00 61.11 C ATOM 2080 O VAL A 132 3.029 -4.016 -10.602 1.00 52.32 O ATOM 2081 CB VAL A 132 2.461 -1.391 -8.488 1.00 4.35 C ATOM 2082 CG1 VAL A 132 3.641 -2.146 -7.819 1.00 31.45 C ATOM 2083 CG2 VAL A 132 2.637 0.124 -8.354 1.00 30.44 C ATOM 0 H VAL A 132 0.552 -0.583 -9.971 1.00 34.20 H new ATOM 0 HA VAL A 132 3.155 -1.462 -10.562 1.00 44.45 H new ATOM 0 HB VAL A 132 1.552 -1.683 -7.962 1.00 4.35 H new ATOM 0 HG11 VAL A 132 3.728 -1.835 -6.778 1.00 31.45 H new ATOM 0 HG12 VAL A 132 3.458 -3.220 -7.863 1.00 31.45 H new ATOM 0 HG13 VAL A 132 4.567 -1.914 -8.346 1.00 31.45 H new ATOM 0 HG21 VAL A 132 2.759 0.385 -7.303 1.00 30.44 H new ATOM 0 HG22 VAL A 132 3.520 0.438 -8.910 1.00 30.44 H new ATOM 0 HG23 VAL A 132 1.758 0.629 -8.753 1.00 30.44 H new ATOM 2093 N ILE A 133 1.009 -3.807 -9.560 1.00 43.11 N ATOM 2094 CA ILE A 133 0.670 -5.232 -9.519 1.00 62.22 C ATOM 2095 C ILE A 133 0.564 -5.776 -10.964 1.00 13.41 C ATOM 2096 O ILE A 133 1.058 -6.859 -11.261 1.00 63.24 O ATOM 2097 CB ILE A 133 -0.664 -5.462 -8.694 1.00 40.41 C ATOM 2098 CG1 ILE A 133 -0.482 -4.974 -7.204 1.00 74.50 C ATOM 2099 CG2 ILE A 133 -1.125 -6.940 -8.744 1.00 73.00 C ATOM 2100 CD1 ILE A 133 -1.695 -5.163 -6.311 1.00 15.05 C ATOM 0 H ILE A 133 0.289 -3.209 -9.155 1.00 43.11 H new ATOM 0 HA ILE A 133 1.458 -5.784 -9.007 1.00 62.22 H new ATOM 0 HB ILE A 133 -1.449 -4.867 -9.160 1.00 40.41 H new ATOM 0 HG12 ILE A 133 0.360 -5.508 -6.764 1.00 74.50 H new ATOM 0 HG13 ILE A 133 -0.219 -3.916 -7.214 1.00 74.50 H new ATOM 0 HG21 ILE A 133 -2.042 -7.055 -8.166 1.00 73.00 H new ATOM 0 HG22 ILE A 133 -1.309 -7.229 -9.779 1.00 73.00 H new ATOM 0 HG23 ILE A 133 -0.348 -7.578 -8.322 1.00 73.00 H new ATOM 0 HD11 ILE A 133 -1.470 -4.797 -5.309 1.00 15.05 H new ATOM 0 HD12 ILE A 133 -2.538 -4.606 -6.720 1.00 15.05 H new ATOM 0 HD13 ILE A 133 -1.949 -6.222 -6.262 1.00 15.05 H new ATOM 2112 N GLY A 134 -0.003 -4.945 -11.859 1.00 53.05 N ATOM 2113 CA GLY A 134 -0.115 -5.259 -13.283 1.00 21.23 C ATOM 2114 C GLY A 134 1.244 -5.385 -13.979 1.00 23.32 C ATOM 2115 O GLY A 134 1.430 -6.270 -14.815 1.00 21.11 O ATOM 0 H GLY A 134 -0.395 -4.037 -11.608 1.00 53.05 H new ATOM 0 HA2 GLY A 134 -0.665 -6.193 -13.401 1.00 21.23 H new ATOM 0 HA3 GLY A 134 -0.698 -4.481 -13.776 1.00 21.23 H new ATOM 2119 N THR A 135 2.209 -4.511 -13.597 1.00 15.14 N ATOM 2120 CA THR A 135 3.599 -4.512 -14.140 1.00 2.25 C ATOM 2121 C THR A 135 4.318 -5.846 -13.815 1.00 42.55 C ATOM 2122 O THR A 135 5.246 -6.275 -14.524 1.00 62.21 O ATOM 2123 CB THR A 135 4.417 -3.289 -13.574 1.00 32.24 C ATOM 2124 OG1 THR A 135 3.774 -2.057 -13.935 1.00 50.51 O ATOM 2125 CG2 THR A 135 5.876 -3.236 -14.072 1.00 32.45 C ATOM 0 H THR A 135 2.049 -3.782 -12.902 1.00 15.14 H new ATOM 0 HA THR A 135 3.539 -4.414 -15.224 1.00 2.25 H new ATOM 0 HB THR A 135 4.441 -3.424 -12.493 1.00 32.24 H new ATOM 0 HG1 THR A 135 2.847 -2.066 -13.617 1.00 50.51 H new ATOM 0 HG21 THR A 135 6.376 -2.369 -13.641 1.00 32.45 H new ATOM 0 HG22 THR A 135 6.397 -4.144 -13.768 1.00 32.45 H new ATOM 0 HG23 THR A 135 5.887 -3.158 -15.159 1.00 32.45 H new ATOM 2133 N ILE A 136 3.853 -6.501 -12.749 1.00 11.04 N ATOM 2134 CA ILE A 136 4.314 -7.832 -12.349 1.00 35.54 C ATOM 2135 C ILE A 136 3.573 -8.903 -13.166 1.00 2.34 C ATOM 2136 O ILE A 136 4.197 -9.813 -13.728 1.00 65.02 O ATOM 2137 CB ILE A 136 4.058 -8.057 -10.816 1.00 34.31 C ATOM 2138 CG1 ILE A 136 4.598 -6.843 -9.994 1.00 72.25 C ATOM 2139 CG2 ILE A 136 4.687 -9.390 -10.334 1.00 51.34 C ATOM 2140 CD1 ILE A 136 4.048 -6.755 -8.595 1.00 54.31 C ATOM 0 H ILE A 136 3.137 -6.117 -12.132 1.00 11.04 H new ATOM 0 HA ILE A 136 5.384 -7.909 -12.540 1.00 35.54 H new ATOM 0 HB ILE A 136 2.983 -8.128 -10.652 1.00 34.31 H new ATOM 0 HG12 ILE A 136 5.685 -6.907 -9.942 1.00 72.25 H new ATOM 0 HG13 ILE A 136 4.358 -5.922 -10.526 1.00 72.25 H new ATOM 0 HG21 ILE A 136 4.494 -9.519 -9.269 1.00 51.34 H new ATOM 0 HG22 ILE A 136 4.247 -10.221 -10.886 1.00 51.34 H new ATOM 0 HG23 ILE A 136 5.763 -9.368 -10.508 1.00 51.34 H new ATOM 0 HD11 ILE A 136 4.472 -5.886 -8.091 1.00 54.31 H new ATOM 0 HD12 ILE A 136 2.963 -6.657 -8.636 1.00 54.31 H new ATOM 0 HD13 ILE A 136 4.310 -7.658 -8.043 1.00 54.31 H new