USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 41 MET CE :methyl 170:sc= -1.97 (180deg=-2.25!) USER MOD Set 1.2: A 70 SER OG : rot -168:sc= 0.156 USER MOD Set 2.1: A 26 ASN :FLIP amide:sc= -1 F(o=-5.6!,f=-1) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -99:sc= -0.0341 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -130:sc= -4.3! (180deg=-8.5!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.166 F(o=-3.4!,f=-0.17) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0985) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00316 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -1.12 USER MOD Single : A 86 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.047) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -1.55 F(o=-2.7,f=-1.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.65) USER MOD Single : A 106 CYS SG : rot -140:sc= -0.376 USER MOD Single : A 107 SER OG : rot -110:sc= -0.45 USER MOD Single : A 115 LYS NZ :NH3+ 136:sc= 0.144 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.595 20.837 -5.167 1.00 0.00 N ATOM 385 CA ASN A 26 24.833 22.076 -5.063 1.00 0.00 C ATOM 386 C ASN A 26 23.380 21.858 -5.472 1.00 0.00 C ATOM 387 O ASN A 26 22.502 22.651 -5.132 1.00 0.00 O ATOM 388 CB ASN A 26 25.464 23.161 -5.938 1.00 0.00 C ATOM 389 CG ASN A 26 26.105 22.594 -7.190 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.329 21.844 -7.964 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.284 22.828 -7.458 1.00 0.00 N flip ATOM 0 HA ASN A 26 24.853 22.400 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 26 24.700 23.886 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.216 23.699 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.843 23.410 -6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 26 27.701 22.440 -8.304 1.00 0.00 H new ATOM 398 N VAL A 27 23.133 20.776 -6.204 1.00 0.00 N ATOM 399 CA VAL A 27 21.786 20.452 -6.658 1.00 0.00 C ATOM 400 C VAL A 27 21.065 19.565 -5.650 1.00 0.00 C ATOM 401 O VAL A 27 21.599 18.549 -5.206 1.00 0.00 O ATOM 402 CB VAL A 27 21.811 19.741 -8.025 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.407 19.323 -8.435 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.438 20.640 -9.080 1.00 0.00 C ATOM 0 H VAL A 27 23.848 20.109 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 27 21.249 21.396 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 27 22.421 18.842 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.444 18.823 -9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.998 18.641 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.771 20.205 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.448 20.123 -10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.856 21.558 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.460 20.885 -8.789 1.00 0.00 H new ATOM 414 N GLY A 28 19.845 19.956 -5.291 1.00 0.00 N ATOM 415 CA GLY A 28 19.069 19.185 -4.338 1.00 0.00 C ATOM 416 C GLY A 28 17.903 18.466 -4.986 1.00 0.00 C ATOM 417 O GLY A 28 17.281 18.986 -5.911 1.00 0.00 O ATOM 0 H GLY A 28 19.381 20.793 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.717 18.455 -3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.695 19.848 -3.558 1.00 0.00 H new ATOM 421 N SER A 29 17.607 17.264 -4.500 1.00 0.00 N ATOM 422 CA SER A 29 16.511 16.470 -5.042 1.00 0.00 C ATOM 423 C SER A 29 15.438 16.232 -3.984 1.00 0.00 C ATOM 424 O SER A 29 15.738 15.848 -2.854 1.00 0.00 O ATOM 425 CB SER A 29 17.034 15.130 -5.564 1.00 0.00 C ATOM 426 OG SER A 29 16.729 14.078 -4.665 1.00 0.00 O ATOM 0 H SER A 29 18.111 16.820 -3.733 1.00 0.00 H new ATOM 0 HA SER A 29 16.066 17.025 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.594 14.919 -6.538 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.113 15.188 -5.708 1.00 0.00 H new ATOM 0 HG SER A 29 17.072 13.233 -5.022 1.00 0.00 H new ATOM 432 N GLY A 30 14.183 16.464 -4.360 1.00 0.00 N ATOM 433 CA GLY A 30 13.083 16.270 -3.433 1.00 0.00 C ATOM 434 C GLY A 30 11.967 15.432 -4.025 1.00 0.00 C ATOM 435 O GLY A 30 11.370 15.806 -5.034 1.00 0.00 O ATOM 0 H GLY A 30 13.909 16.783 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.455 15.788 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.686 17.241 -3.137 1.00 0.00 H new ATOM 439 N MET A 31 11.686 14.295 -3.397 1.00 0.00 N ATOM 440 CA MET A 31 10.634 13.402 -3.869 1.00 0.00 C ATOM 441 C MET A 31 9.621 13.124 -2.763 1.00 0.00 C ATOM 442 O MET A 31 9.982 12.679 -1.673 1.00 0.00 O ATOM 443 CB MET A 31 11.237 12.087 -4.366 1.00 0.00 C ATOM 444 CG MET A 31 10.201 11.095 -4.868 1.00 0.00 C ATOM 445 SD MET A 31 9.953 9.716 -3.733 1.00 0.00 S ATOM 446 CE MET A 31 8.216 9.910 -3.339 1.00 0.00 C ATOM 0 H MET A 31 12.172 13.970 -2.561 1.00 0.00 H new ATOM 0 HA MET A 31 10.119 13.892 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.942 12.301 -5.169 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.805 11.628 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.253 11.611 -5.019 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.513 10.710 -5.839 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.083 9.886 -2.257 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.859 10.864 -3.728 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.647 9.098 -3.792 1.00 0.00 H new ATOM 456 N VAL A 32 8.350 13.390 -3.050 1.00 0.00 N ATOM 457 CA VAL A 32 7.285 13.167 -2.080 1.00 0.00 C ATOM 458 C VAL A 32 6.133 12.384 -2.699 1.00 0.00 C ATOM 459 O VAL A 32 5.816 12.552 -3.876 1.00 0.00 O ATOM 460 CB VAL A 32 6.745 14.498 -1.523 1.00 0.00 C ATOM 461 CG1 VAL A 32 7.847 15.261 -0.802 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.147 15.339 -2.641 1.00 0.00 C ATOM 0 H VAL A 32 8.034 13.760 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 32 7.717 12.588 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 32 5.957 14.278 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.447 16.198 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.225 14.659 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.659 15.472 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.770 16.276 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.914 15.552 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.328 14.793 -3.109 1.00 0.00 H new ATOM 472 N GLY A 33 5.508 11.526 -1.897 1.00 0.00 N ATOM 473 CA GLY A 33 4.397 10.730 -2.384 1.00 0.00 C ATOM 474 C GLY A 33 3.445 10.325 -1.276 1.00 0.00 C ATOM 475 O GLY A 33 3.675 10.633 -0.107 1.00 0.00 O ATOM 0 H GLY A 33 5.752 11.369 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.851 11.296 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.782 9.835 -2.873 1.00 0.00 H new ATOM 479 N ALA A 34 2.372 9.632 -1.644 1.00 0.00 N ATOM 480 CA ALA A 34 1.382 9.184 -0.672 1.00 0.00 C ATOM 481 C ALA A 34 0.717 7.888 -1.124 1.00 0.00 C ATOM 482 O ALA A 34 0.609 7.600 -2.316 1.00 0.00 O ATOM 483 CB ALA A 34 0.336 10.266 -0.448 1.00 0.00 C ATOM 0 H ALA A 34 2.166 9.369 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 34 1.895 8.989 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.397 9.918 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.820 11.168 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.165 10.488 -1.390 1.00 0.00 H new ATOM 489 N PRO A 35 0.261 7.086 -0.151 1.00 0.00 N ATOM 490 CA PRO A 35 -0.401 5.807 -0.425 1.00 0.00 C ATOM 491 C PRO A 35 -1.778 5.990 -1.054 1.00 0.00 C ATOM 492 O PRO A 35 -2.098 5.362 -2.063 1.00 0.00 O ATOM 493 CB PRO A 35 -0.527 5.169 0.961 1.00 0.00 C ATOM 494 CG PRO A 35 -0.530 6.319 1.908 1.00 0.00 C ATOM 495 CD PRO A 35 0.355 7.366 1.292 1.00 0.00 C ATOM 0 HA PRO A 35 0.159 5.203 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.443 4.584 1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.303 4.492 1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.540 6.700 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.156 6.019 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.011 8.373 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.381 7.287 1.651 1.00 0.00 H new ATOM 503 N ALA A 36 -2.589 6.854 -0.452 1.00 0.00 N ATOM 504 CA ALA A 36 -3.930 7.121 -0.956 1.00 0.00 C ATOM 505 C ALA A 36 -3.893 8.103 -2.122 1.00 0.00 C ATOM 506 O ALA A 36 -4.811 8.141 -2.943 1.00 0.00 O ATOM 507 CB ALA A 36 -4.816 7.657 0.160 1.00 0.00 C ATOM 0 H ALA A 36 -2.340 7.381 0.385 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.349 6.182 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.815 7.852 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.877 6.921 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.391 8.582 0.549 1.00 0.00 H new ATOM 513 N CYS A 37 -2.830 8.896 -2.188 1.00 0.00 N ATOM 514 CA CYS A 37 -2.675 9.880 -3.253 1.00 0.00 C ATOM 515 C CYS A 37 -2.249 9.209 -4.555 1.00 0.00 C ATOM 516 O CYS A 37 -2.586 9.672 -5.644 1.00 0.00 O ATOM 517 CB CYS A 37 -1.648 10.940 -2.852 1.00 0.00 C ATOM 518 SG CYS A 37 -1.856 12.526 -3.694 1.00 0.00 S ATOM 0 H CYS A 37 -2.062 8.877 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.640 10.362 -3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.710 11.101 -1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.648 10.559 -3.060 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.942 13.356 -3.287 1.00 0.00 H new ATOM 524 N GLY A 38 -1.503 8.115 -4.435 1.00 0.00 N ATOM 525 CA GLY A 38 -1.041 7.399 -5.609 1.00 0.00 C ATOM 526 C GLY A 38 -0.355 8.308 -6.610 1.00 0.00 C ATOM 527 O GLY A 38 -0.779 8.407 -7.761 1.00 0.00 O ATOM 0 H GLY A 38 -1.210 7.712 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.350 6.613 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.888 6.909 -6.089 1.00 0.00 H new ATOM 531 N ALA A 39 0.707 8.975 -6.170 1.00 0.00 N ATOM 532 CA ALA A 39 1.453 9.880 -7.036 1.00 0.00 C ATOM 533 C ALA A 39 2.807 10.229 -6.428 1.00 0.00 C ATOM 534 O ALA A 39 3.102 9.863 -5.291 1.00 0.00 O ATOM 535 CB ALA A 39 0.648 11.144 -7.297 1.00 0.00 C ATOM 0 H ALA A 39 1.070 8.906 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 39 1.630 9.373 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.217 11.811 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.293 10.883 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.442 11.646 -6.352 1.00 0.00 H new ATOM 541 N VAL A 40 3.629 10.940 -7.195 1.00 0.00 N ATOM 542 CA VAL A 40 4.953 11.339 -6.731 1.00 0.00 C ATOM 543 C VAL A 40 5.343 12.702 -7.290 1.00 0.00 C ATOM 544 O VAL A 40 5.131 12.985 -8.469 1.00 0.00 O ATOM 545 CB VAL A 40 6.023 10.306 -7.134 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.356 10.637 -6.480 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.573 8.901 -6.764 1.00 0.00 C ATOM 0 H VAL A 40 3.401 11.251 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 40 4.904 11.396 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 40 6.155 10.347 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.100 9.897 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.682 11.627 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.243 10.624 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.341 8.184 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.412 8.842 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.643 8.668 -7.283 1.00 0.00 H new ATOM 557 N MET A 41 5.913 13.545 -6.435 1.00 0.00 N ATOM 558 CA MET A 41 6.335 14.880 -6.844 1.00 0.00 C ATOM 559 C MET A 41 7.855 14.996 -6.836 1.00 0.00 C ATOM 560 O MET A 41 8.478 15.061 -5.775 1.00 0.00 O ATOM 561 CB MET A 41 5.725 15.936 -5.920 1.00 0.00 C ATOM 562 CG MET A 41 4.694 16.819 -6.604 1.00 0.00 C ATOM 563 SD MET A 41 3.495 17.510 -5.447 1.00 0.00 S ATOM 564 CE MET A 41 3.289 19.158 -6.117 1.00 0.00 C ATOM 0 H MET A 41 6.093 13.327 -5.455 1.00 0.00 H new ATOM 0 HA MET A 41 5.982 15.050 -7.861 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.258 15.438 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.523 16.564 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.203 17.632 -7.122 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.169 16.238 -7.362 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.451 19.650 -5.622 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.199 19.735 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.092 19.094 -7.187 1.00 0.00 H new ATOM 574 N LYS A 42 8.449 15.023 -8.024 1.00 0.00 N ATOM 575 CA LYS A 42 9.897 15.133 -8.154 1.00 0.00 C ATOM 576 C LYS A 42 10.291 16.493 -8.721 1.00 0.00 C ATOM 577 O LYS A 42 9.911 16.844 -9.839 1.00 0.00 O ATOM 578 CB LYS A 42 10.435 14.018 -9.054 1.00 0.00 C ATOM 579 CG LYS A 42 10.064 12.623 -8.582 1.00 0.00 C ATOM 580 CD LYS A 42 10.880 11.557 -9.294 1.00 0.00 C ATOM 581 CE LYS A 42 12.318 11.534 -8.799 1.00 0.00 C ATOM 582 NZ LYS A 42 12.811 10.144 -8.592 1.00 0.00 N ATOM 0 H LYS A 42 7.949 14.970 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 42 10.334 15.033 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.055 14.163 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.521 14.098 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.225 12.547 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.003 12.448 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.423 10.580 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.866 11.743 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.958 12.043 -9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.389 12.088 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.794 10.171 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.216 9.666 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.768 9.623 -9.491 1.00 0.00 H new ATOM 596 N LEU A 43 11.055 17.254 -7.945 1.00 0.00 N ATOM 597 CA LEU A 43 11.502 18.575 -8.371 1.00 0.00 C ATOM 598 C LEU A 43 13.000 18.744 -8.142 1.00 0.00 C ATOM 599 O LEU A 43 13.547 18.240 -7.161 1.00 0.00 O ATOM 600 CB LEU A 43 10.733 19.663 -7.618 1.00 0.00 C ATOM 601 CG LEU A 43 9.332 19.979 -8.141 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.345 18.906 -7.707 1.00 0.00 C ATOM 603 CD2 LEU A 43 8.879 21.349 -7.658 1.00 0.00 C ATOM 0 H LEU A 43 11.378 16.979 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 43 11.304 18.671 -9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.650 19.364 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.323 20.579 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 43 9.367 19.993 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.353 19.148 -8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.660 17.940 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.313 18.859 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.880 21.557 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.861 21.363 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.571 22.109 -8.019 1.00 0.00 H new ATOM 615 N GLN A 44 13.657 19.457 -9.051 1.00 0.00 N ATOM 616 CA GLN A 44 15.092 19.693 -8.946 1.00 0.00 C ATOM 617 C GLN A 44 15.379 21.147 -8.586 1.00 0.00 C ATOM 618 O GLN A 44 14.582 22.038 -8.880 1.00 0.00 O ATOM 619 CB GLN A 44 15.787 19.333 -10.260 1.00 0.00 C ATOM 620 CG GLN A 44 16.904 18.315 -10.098 1.00 0.00 C ATOM 621 CD GLN A 44 16.418 16.887 -10.243 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.868 16.152 -11.123 1.00 0.00 O ATOM 623 NE2 GLN A 44 15.494 16.485 -9.378 1.00 0.00 N ATOM 0 H GLN A 44 13.218 19.881 -9.868 1.00 0.00 H new ATOM 0 HA GLN A 44 15.483 19.057 -8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.047 18.940 -10.957 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.195 20.240 -10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.677 18.509 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.365 18.440 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.149 17.127 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.129 15.534 -9.427 1.00 0.00 H new ATOM 632 N ILE A 45 16.523 21.379 -7.950 1.00 0.00 N ATOM 633 CA ILE A 45 16.915 22.725 -7.552 1.00 0.00 C ATOM 634 C ILE A 45 18.430 22.893 -7.599 1.00 0.00 C ATOM 635 O ILE A 45 19.175 21.912 -7.601 1.00 0.00 O ATOM 636 CB ILE A 45 16.417 23.060 -6.133 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.170 22.227 -5.095 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.918 22.820 -6.028 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.730 22.493 -3.672 1.00 0.00 C ATOM 0 H ILE A 45 17.194 20.653 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 45 16.453 23.411 -8.262 1.00 0.00 H new ATOM 0 HB ILE A 45 16.611 24.114 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.030 21.169 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.237 22.432 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.581 23.061 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.397 23.453 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.701 21.774 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.306 21.868 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.896 23.543 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.670 22.260 -3.569 1.00 0.00 H new ATOM 651 N LYS A 46 18.881 24.142 -7.635 1.00 0.00 N ATOM 652 CA LYS A 46 20.307 24.440 -7.679 1.00 0.00 C ATOM 653 C LYS A 46 20.655 25.578 -6.724 1.00 0.00 C ATOM 654 O LYS A 46 20.343 26.740 -6.987 1.00 0.00 O ATOM 655 CB LYS A 46 20.729 24.809 -9.103 1.00 0.00 C ATOM 656 CG LYS A 46 22.146 25.348 -9.198 1.00 0.00 C ATOM 657 CD LYS A 46 23.165 24.322 -8.731 1.00 0.00 C ATOM 658 CE LYS A 46 24.013 23.813 -9.886 1.00 0.00 C ATOM 659 NZ LYS A 46 25.406 24.338 -9.825 1.00 0.00 N ATOM 0 H LYS A 46 18.279 24.965 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 46 20.848 23.547 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.641 23.928 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.038 25.555 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.360 25.632 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.234 26.251 -8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.810 24.767 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.650 23.485 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.034 22.723 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.555 24.107 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.500 25.148 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.620 24.642 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 26.071 23.591 -10.108 1.00 0.00 H new ATOM 673 N VAL A 47 21.303 25.237 -5.615 1.00 0.00 N ATOM 674 CA VAL A 47 21.696 26.230 -4.622 1.00 0.00 C ATOM 675 C VAL A 47 23.183 26.551 -4.724 1.00 0.00 C ATOM 676 O VAL A 47 24.000 25.674 -5.000 1.00 0.00 O ATOM 677 CB VAL A 47 21.382 25.750 -3.193 1.00 0.00 C ATOM 678 CG1 VAL A 47 21.506 26.899 -2.204 1.00 0.00 C ATOM 679 CG2 VAL A 47 19.994 25.130 -3.132 1.00 0.00 C ATOM 0 H VAL A 47 21.567 24.280 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 47 21.118 27.131 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 47 22.109 24.986 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 47 21.280 26.541 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 47 22.522 27.293 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 47 20.804 27.688 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 47 19.789 24.796 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.251 25.871 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 47 19.946 24.278 -3.810 1.00 0.00 H new ATOM 689 N ASN A 48 23.526 27.815 -4.498 1.00 0.00 N ATOM 690 CA ASN A 48 24.916 28.252 -4.564 1.00 0.00 C ATOM 691 C ASN A 48 25.506 28.404 -3.165 1.00 0.00 C ATOM 692 O ASN A 48 24.816 28.208 -2.165 1.00 0.00 O ATOM 693 CB ASN A 48 25.019 29.579 -5.320 1.00 0.00 C ATOM 694 CG ASN A 48 23.778 30.435 -5.157 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.541 30.907 -3.939 1.00 0.00 O flip ATOM 696 ND2 ASN A 48 23.042 30.669 -6.116 1.00 0.00 N flip ATOM 0 H ASN A 48 22.862 28.554 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 48 25.485 27.491 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.888 30.131 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 48 25.183 29.379 -6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.264 30.285 -7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.211 31.247 -5.992 1.00 0.00 H new ATOM 703 N ASP A 49 26.786 28.754 -3.104 1.00 0.00 N ATOM 704 CA ASP A 49 27.469 28.934 -1.828 1.00 0.00 C ATOM 705 C ASP A 49 26.770 29.994 -0.982 1.00 0.00 C ATOM 706 O ASP A 49 26.901 30.010 0.242 1.00 0.00 O ATOM 707 CB ASP A 49 28.928 29.329 -2.058 1.00 0.00 C ATOM 708 CG ASP A 49 29.749 29.278 -0.784 1.00 0.00 C ATOM 709 OD1 ASP A 49 29.305 28.623 0.182 1.00 0.00 O ATOM 710 OD2 ASP A 49 30.836 29.893 -0.753 1.00 0.00 O ATOM 0 H ASP A 49 27.371 28.919 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 49 27.437 27.986 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.370 28.662 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 49 28.968 30.336 -2.472 1.00 0.00 H new ATOM 715 N GLU A 50 26.028 30.877 -1.643 1.00 0.00 N ATOM 716 CA GLU A 50 25.310 31.941 -0.950 1.00 0.00 C ATOM 717 C GLU A 50 24.064 31.395 -0.258 1.00 0.00 C ATOM 718 O GLU A 50 23.457 32.069 0.573 1.00 0.00 O ATOM 719 CB GLU A 50 24.918 33.045 -1.934 1.00 0.00 C ATOM 720 CG GLU A 50 25.755 34.306 -1.798 1.00 0.00 C ATOM 721 CD GLU A 50 25.677 35.193 -3.025 1.00 0.00 C ATOM 722 OE1 GLU A 50 26.010 34.712 -4.128 1.00 0.00 O ATOM 723 OE2 GLU A 50 25.281 36.369 -2.882 1.00 0.00 O ATOM 0 H GLU A 50 25.908 30.877 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 50 25.972 32.358 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.012 32.664 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.868 33.298 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.420 34.868 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.794 34.030 -1.619 1.00 0.00 H new ATOM 730 N GLY A 51 23.688 30.169 -0.608 1.00 0.00 N ATOM 731 CA GLY A 51 22.517 29.553 -0.012 1.00 0.00 C ATOM 732 C GLY A 51 21.224 30.048 -0.630 1.00 0.00 C ATOM 733 O GLY A 51 20.185 30.078 0.029 1.00 0.00 O ATOM 0 H GLY A 51 24.174 29.591 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 51 22.581 28.471 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.507 29.759 1.058 1.00 0.00 H new ATOM 737 N ILE A 52 21.288 30.439 -1.899 1.00 0.00 N ATOM 738 CA ILE A 52 20.114 30.935 -2.605 1.00 0.00 C ATOM 739 C ILE A 52 19.845 30.121 -3.866 1.00 0.00 C ATOM 740 O ILE A 52 20.775 29.693 -4.550 1.00 0.00 O ATOM 741 CB ILE A 52 20.273 32.418 -2.989 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.497 33.270 -1.738 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.050 32.902 -3.754 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.415 33.108 -0.694 1.00 0.00 C ATOM 0 H ILE A 52 22.141 30.422 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 52 19.270 30.833 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 52 21.145 32.519 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.458 33.007 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.556 34.319 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.178 33.952 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.932 32.311 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.163 32.790 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 52 19.640 33.741 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.454 33.399 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.370 32.067 -0.375 1.00 0.00 H new ATOM 756 N ILE A 53 18.568 29.913 -4.168 1.00 0.00 N ATOM 757 CA ILE A 53 18.178 29.153 -5.349 1.00 0.00 C ATOM 758 C ILE A 53 18.395 29.964 -6.622 1.00 0.00 C ATOM 759 O ILE A 53 17.796 31.023 -6.804 1.00 0.00 O ATOM 760 CB ILE A 53 16.702 28.719 -5.276 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.430 27.975 -3.967 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.347 27.846 -6.471 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.187 26.671 -3.844 1.00 0.00 C ATOM 0 H ILE A 53 17.786 30.260 -3.612 1.00 0.00 H new ATOM 0 HA ILE A 53 18.809 28.265 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 53 16.075 29.610 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.696 28.620 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.362 27.774 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.301 27.547 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.507 28.407 -7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.979 26.958 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.946 26.199 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.903 26.007 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.258 26.866 -3.891 1.00 0.00 H new ATOM 775 N GLU A 54 19.255 29.457 -7.500 1.00 0.00 N ATOM 776 CA GLU A 54 19.550 30.135 -8.757 1.00 0.00 C ATOM 777 C GLU A 54 18.896 29.413 -9.931 1.00 0.00 C ATOM 778 O GLU A 54 18.651 30.008 -10.981 1.00 0.00 O ATOM 779 CB GLU A 54 21.063 30.218 -8.974 1.00 0.00 C ATOM 780 CG GLU A 54 21.454 30.587 -10.395 1.00 0.00 C ATOM 781 CD GLU A 54 22.948 30.796 -10.553 1.00 0.00 C ATOM 782 OE1 GLU A 54 23.647 30.876 -9.522 1.00 0.00 O ATOM 783 OE2 GLU A 54 23.417 30.879 -11.707 1.00 0.00 O ATOM 0 H GLU A 54 19.759 28.581 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 54 19.142 31.144 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.480 30.955 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.511 29.257 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.127 29.799 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.931 31.497 -10.687 1.00 0.00 H new ATOM 790 N ASP A 55 18.617 28.127 -9.746 1.00 0.00 N ATOM 791 CA ASP A 55 17.991 27.323 -10.789 1.00 0.00 C ATOM 792 C ASP A 55 17.045 26.290 -10.184 1.00 0.00 C ATOM 793 O ASP A 55 17.252 25.825 -9.064 1.00 0.00 O ATOM 794 CB ASP A 55 19.057 26.624 -11.633 1.00 0.00 C ATOM 795 CG ASP A 55 19.080 27.121 -13.065 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.046 26.994 -13.753 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.132 27.637 -13.498 1.00 0.00 O ATOM 0 H ASP A 55 18.815 27.619 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 55 17.412 27.989 -11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.036 26.783 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.874 25.550 -11.627 1.00 0.00 H new ATOM 802 N ALA A 56 16.007 25.935 -10.934 1.00 0.00 N ATOM 803 CA ALA A 56 15.030 24.957 -10.472 1.00 0.00 C ATOM 804 C ALA A 56 14.480 24.139 -11.636 1.00 0.00 C ATOM 805 O ALA A 56 14.005 24.693 -12.627 1.00 0.00 O ATOM 806 CB ALA A 56 13.897 25.651 -9.731 1.00 0.00 C ATOM 0 H ALA A 56 15.821 26.310 -11.864 1.00 0.00 H new ATOM 0 HA ALA A 56 15.533 24.274 -9.787 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.175 24.908 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.299 26.186 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.404 26.357 -10.399 1.00 0.00 H new ATOM 812 N ARG A 57 14.549 22.817 -11.509 1.00 0.00 N ATOM 813 CA ARG A 57 14.059 21.923 -12.552 1.00 0.00 C ATOM 814 C ARG A 57 12.820 21.167 -12.082 1.00 0.00 C ATOM 815 O ARG A 57 12.508 21.145 -10.891 1.00 0.00 O ATOM 816 CB ARG A 57 15.152 20.933 -12.958 1.00 0.00 C ATOM 817 CG ARG A 57 15.434 20.915 -14.451 1.00 0.00 C ATOM 818 CD ARG A 57 16.866 20.494 -14.742 1.00 0.00 C ATOM 819 NE ARG A 57 17.824 21.544 -14.407 1.00 0.00 N ATOM 820 CZ ARG A 57 18.057 22.600 -15.178 1.00 0.00 C ATOM 821 NH1 ARG A 57 17.403 22.747 -16.322 1.00 0.00 N ATOM 822 NH2 ARG A 57 18.944 23.513 -14.804 1.00 0.00 N ATOM 0 H ARG A 57 14.939 22.342 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 57 13.787 22.528 -13.417 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.071 21.181 -12.426 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.860 19.932 -12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.745 20.230 -14.944 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.253 21.905 -14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.102 19.594 -14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 57 16.962 20.239 -15.798 1.00 0.00 H new ATOM 0 HE ARG A 57 18.343 21.462 -13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.719 22.048 -16.612 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.584 23.559 -16.912 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.448 23.404 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.122 24.324 -15.397 1.00 0.00 H new ATOM 836 N PHE A 58 12.118 20.548 -13.025 1.00 0.00 N ATOM 837 CA PHE A 58 10.912 19.792 -12.708 1.00 0.00 C ATOM 838 C PHE A 58 10.602 18.778 -13.805 1.00 0.00 C ATOM 839 O PHE A 58 10.805 19.046 -14.990 1.00 0.00 O ATOM 840 CB PHE A 58 9.725 20.739 -12.522 1.00 0.00 C ATOM 841 CG PHE A 58 8.409 20.029 -12.373 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.247 19.034 -11.423 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.335 20.356 -13.184 1.00 0.00 C ATOM 844 CE1 PHE A 58 7.038 18.378 -11.285 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.123 19.705 -13.051 1.00 0.00 C ATOM 846 CZ PHE A 58 5.975 18.715 -12.099 1.00 0.00 C ATOM 0 H PHE A 58 12.363 20.555 -14.015 1.00 0.00 H new ATOM 0 HA PHE A 58 11.086 19.252 -11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.898 21.356 -11.640 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.670 21.413 -13.377 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.075 18.768 -10.783 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.446 21.129 -13.930 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.925 17.603 -10.541 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.294 19.970 -13.690 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.029 18.205 -11.992 1.00 0.00 H new ATOM 856 N LYS A 59 10.109 17.612 -13.403 1.00 0.00 N ATOM 857 CA LYS A 59 9.769 16.556 -14.350 1.00 0.00 C ATOM 858 C LYS A 59 8.605 15.716 -13.833 1.00 0.00 C ATOM 859 O LYS A 59 8.437 15.544 -12.625 1.00 0.00 O ATOM 860 CB LYS A 59 10.984 15.662 -14.605 1.00 0.00 C ATOM 861 CG LYS A 59 11.586 15.077 -13.339 1.00 0.00 C ATOM 862 CD LYS A 59 12.467 13.877 -13.643 1.00 0.00 C ATOM 863 CE LYS A 59 11.648 12.697 -14.143 1.00 0.00 C ATOM 864 NZ LYS A 59 11.830 11.493 -13.286 1.00 0.00 N ATOM 0 H LYS A 59 9.936 17.374 -12.427 1.00 0.00 H new ATOM 0 HA LYS A 59 9.468 17.025 -15.287 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.692 14.848 -15.268 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.747 16.240 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.173 15.840 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.788 14.780 -12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.209 14.150 -14.393 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.013 13.588 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.593 12.971 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.938 12.461 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.027 10.846 -13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.712 11.009 -13.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.878 11.781 -12.288 1.00 0.00 H new ATOM 978 N ALA A 68 -0.634 22.566 -12.285 1.00 0.00 N ATOM 979 CA ALA A 68 -0.235 23.903 -11.862 1.00 0.00 C ATOM 980 C ALA A 68 0.407 23.873 -10.480 1.00 0.00 C ATOM 981 O ALA A 68 1.249 24.711 -10.157 1.00 0.00 O ATOM 982 CB ALA A 68 -1.435 24.839 -11.869 1.00 0.00 C ATOM 0 HA ALA A 68 0.506 24.275 -12.570 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.122 25.834 -11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.848 24.893 -12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.195 24.461 -11.185 1.00 0.00 H new ATOM 988 N SER A 69 0.005 22.902 -9.666 1.00 0.00 N ATOM 989 CA SER A 69 0.538 22.765 -8.316 1.00 0.00 C ATOM 990 C SER A 69 2.063 22.821 -8.326 1.00 0.00 C ATOM 991 O SER A 69 2.679 23.422 -7.446 1.00 0.00 O ATOM 992 CB SER A 69 0.069 21.451 -7.690 1.00 0.00 C ATOM 993 OG SER A 69 -1.330 21.284 -7.844 1.00 0.00 O ATOM 0 H SER A 69 -0.689 22.198 -9.918 1.00 0.00 H new ATOM 0 HA SER A 69 0.165 23.597 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.592 20.616 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.326 21.437 -6.631 1.00 0.00 H new ATOM 0 HG SER A 69 -1.605 20.436 -7.437 1.00 0.00 H new ATOM 999 N SER A 70 2.665 22.189 -9.329 1.00 0.00 N ATOM 1000 CA SER A 70 4.118 22.162 -9.453 1.00 0.00 C ATOM 1001 C SER A 70 4.623 23.400 -10.186 1.00 0.00 C ATOM 1002 O SER A 70 5.646 23.978 -9.820 1.00 0.00 O ATOM 1003 CB SER A 70 4.564 20.899 -10.192 1.00 0.00 C ATOM 1004 OG SER A 70 4.474 19.759 -9.356 1.00 0.00 O ATOM 0 H SER A 70 2.169 21.689 -10.067 1.00 0.00 H new ATOM 0 HA SER A 70 4.544 22.156 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.945 20.754 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.591 21.020 -10.538 1.00 0.00 H new ATOM 0 HG SER A 70 4.942 19.007 -9.776 1.00 0.00 H new ATOM 1010 N SER A 71 3.898 23.802 -11.225 1.00 0.00 N ATOM 1011 CA SER A 71 4.274 24.970 -12.014 1.00 0.00 C ATOM 1012 C SER A 71 4.521 26.177 -11.114 1.00 0.00 C ATOM 1013 O SER A 71 5.360 27.028 -11.413 1.00 0.00 O ATOM 1014 CB SER A 71 3.181 25.295 -13.035 1.00 0.00 C ATOM 1015 OG SER A 71 3.581 26.353 -13.889 1.00 0.00 O ATOM 0 H SER A 71 3.047 23.336 -11.540 1.00 0.00 H new ATOM 0 HA SER A 71 5.198 24.739 -12.543 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.958 24.408 -13.629 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.263 25.570 -12.515 1.00 0.00 H new ATOM 0 HG SER A 71 2.867 26.541 -14.533 1.00 0.00 H new ATOM 1021 N LEU A 72 3.784 26.244 -10.011 1.00 0.00 N ATOM 1022 CA LEU A 72 3.922 27.347 -9.065 1.00 0.00 C ATOM 1023 C LEU A 72 5.049 27.076 -8.074 1.00 0.00 C ATOM 1024 O LEU A 72 5.729 27.999 -7.624 1.00 0.00 O ATOM 1025 CB LEU A 72 2.608 27.567 -8.314 1.00 0.00 C ATOM 1026 CG LEU A 72 2.371 26.670 -7.098 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.948 27.308 -5.844 1.00 0.00 C ATOM 1028 CD2 LEU A 72 0.885 26.392 -6.922 1.00 0.00 C ATOM 0 H LEU A 72 3.085 25.549 -9.749 1.00 0.00 H new ATOM 0 HA LEU A 72 4.167 28.248 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.569 28.606 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.784 27.422 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 72 2.880 25.721 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.770 26.656 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.021 27.455 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.468 28.271 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.735 25.752 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.354 27.333 -6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.501 25.892 -7.811 1.00 0.00 H new ATOM 1040 N VAL A 73 5.242 25.805 -7.738 1.00 0.00 N ATOM 1041 CA VAL A 73 6.289 25.412 -6.802 1.00 0.00 C ATOM 1042 C VAL A 73 7.670 25.765 -7.343 1.00 0.00 C ATOM 1043 O VAL A 73 8.554 26.186 -6.595 1.00 0.00 O ATOM 1044 CB VAL A 73 6.237 23.902 -6.504 1.00 0.00 C ATOM 1045 CG1 VAL A 73 7.471 23.468 -5.727 1.00 0.00 C ATOM 1046 CG2 VAL A 73 4.967 23.553 -5.742 1.00 0.00 C ATOM 0 H VAL A 73 4.687 25.029 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 73 6.112 25.963 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 73 6.225 23.363 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.417 22.398 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.364 23.682 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.517 24.013 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.947 22.482 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.946 24.101 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.097 23.826 -6.340 1.00 0.00 H new ATOM 1056 N THR A 74 7.851 25.591 -8.649 1.00 0.00 N ATOM 1057 CA THR A 74 9.125 25.890 -9.291 1.00 0.00 C ATOM 1058 C THR A 74 9.405 27.388 -9.284 1.00 0.00 C ATOM 1059 O THR A 74 10.508 27.821 -8.952 1.00 0.00 O ATOM 1060 CB THR A 74 9.155 25.380 -10.744 1.00 0.00 C ATOM 1061 OG1 THR A 74 8.067 25.944 -11.484 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.070 23.862 -10.786 1.00 0.00 C ATOM 0 H THR A 74 7.131 25.244 -9.283 1.00 0.00 H new ATOM 0 HA THR A 74 9.897 25.376 -8.718 1.00 0.00 H new ATOM 0 HB THR A 74 10.098 25.688 -11.194 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.094 25.616 -12.407 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.093 23.525 -11.822 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.916 23.435 -10.247 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.140 23.537 -10.319 1.00 0.00 H new ATOM 1070 N GLU A 75 8.399 28.176 -9.652 1.00 0.00 N ATOM 1071 CA GLU A 75 8.539 29.627 -9.689 1.00 0.00 C ATOM 1072 C GLU A 75 8.781 30.185 -8.289 1.00 0.00 C ATOM 1073 O GLU A 75 9.372 31.253 -8.129 1.00 0.00 O ATOM 1074 CB GLU A 75 7.290 30.267 -10.296 1.00 0.00 C ATOM 1075 CG GLU A 75 6.897 29.679 -11.641 1.00 0.00 C ATOM 1076 CD GLU A 75 7.746 30.210 -12.780 1.00 0.00 C ATOM 1077 OE1 GLU A 75 8.987 30.217 -12.643 1.00 0.00 O ATOM 1078 OE2 GLU A 75 7.168 30.618 -13.809 1.00 0.00 O ATOM 0 H GLU A 75 7.479 27.834 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 75 9.400 29.868 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.458 30.151 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.461 31.337 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.989 28.594 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.849 29.903 -11.839 1.00 0.00 H new ATOM 1085 N TRP A 76 8.319 29.456 -7.280 1.00 0.00 N ATOM 1086 CA TRP A 76 8.484 29.878 -5.894 1.00 0.00 C ATOM 1087 C TRP A 76 9.899 29.594 -5.403 1.00 0.00 C ATOM 1088 O TRP A 76 10.521 30.434 -4.752 1.00 0.00 O ATOM 1089 CB TRP A 76 7.468 29.166 -4.998 1.00 0.00 C ATOM 1090 CG TRP A 76 6.463 30.094 -4.386 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.116 29.894 -4.288 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.726 31.369 -3.789 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.525 30.967 -3.666 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.491 31.885 -3.349 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.884 32.123 -3.581 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.384 33.121 -2.716 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.776 33.349 -2.953 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.534 33.838 -2.526 1.00 0.00 C ATOM 0 H TRP A 76 7.827 28.570 -7.395 1.00 0.00 H new ATOM 0 HA TRP A 76 8.311 30.953 -5.845 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.945 28.410 -5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 76 7.999 28.642 -4.203 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.592 29.020 -4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.528 31.064 -3.472 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.846 31.754 -3.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.428 33.500 -2.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.664 33.941 -2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.483 34.800 -2.037 1.00 0.00 H new ATOM 1109 N VAL A 77 10.404 28.406 -5.719 1.00 0.00 N ATOM 1110 CA VAL A 77 11.747 28.013 -5.312 1.00 0.00 C ATOM 1111 C VAL A 77 12.806 28.760 -6.115 1.00 0.00 C ATOM 1112 O VAL A 77 13.860 29.120 -5.590 1.00 0.00 O ATOM 1113 CB VAL A 77 11.965 26.498 -5.481 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.051 25.719 -4.547 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.737 26.086 -6.928 1.00 0.00 C ATOM 0 H VAL A 77 9.902 27.699 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 77 11.845 28.271 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 77 12.997 26.265 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.219 24.650 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.266 25.994 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.011 25.954 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.895 25.012 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.716 26.332 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.436 26.619 -7.572 1.00 0.00 H new ATOM 1125 N LYS A 78 12.519 28.991 -7.391 1.00 0.00 N ATOM 1126 CA LYS A 78 13.445 29.697 -8.269 1.00 0.00 C ATOM 1127 C LYS A 78 13.730 31.101 -7.743 1.00 0.00 C ATOM 1128 O LYS A 78 12.928 32.016 -7.923 1.00 0.00 O ATOM 1129 CB LYS A 78 12.874 29.779 -9.687 1.00 0.00 C ATOM 1130 CG LYS A 78 13.512 28.799 -10.656 1.00 0.00 C ATOM 1131 CD LYS A 78 13.807 29.451 -11.996 1.00 0.00 C ATOM 1132 CE LYS A 78 12.526 29.800 -12.739 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.335 31.272 -12.856 1.00 0.00 N ATOM 0 H LYS A 78 11.651 28.699 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 78 14.381 29.139 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.801 29.593 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.009 30.792 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.436 28.412 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.848 27.947 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.397 30.355 -11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.410 28.778 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.552 29.357 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.674 29.364 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.451 31.468 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.285 31.692 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.135 31.686 -13.376 1.00 0.00 H new ATOM 1147 N GLY A 79 14.878 31.262 -7.092 1.00 0.00 N ATOM 1148 CA GLY A 79 15.248 32.557 -6.551 1.00 0.00 C ATOM 1149 C GLY A 79 15.051 32.636 -5.050 1.00 0.00 C ATOM 1150 O GLY A 79 15.440 33.618 -4.416 1.00 0.00 O ATOM 0 H GLY A 79 15.558 30.519 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.292 32.762 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.653 33.332 -7.034 1.00 0.00 H new ATOM 1154 N LYS A 80 14.444 31.602 -4.479 1.00 0.00 N ATOM 1155 CA LYS A 80 14.195 31.557 -3.043 1.00 0.00 C ATOM 1156 C LYS A 80 15.469 31.207 -2.281 1.00 0.00 C ATOM 1157 O LYS A 80 16.563 31.215 -2.845 1.00 0.00 O ATOM 1158 CB LYS A 80 13.102 30.535 -2.726 1.00 0.00 C ATOM 1159 CG LYS A 80 12.003 31.078 -1.829 1.00 0.00 C ATOM 1160 CD LYS A 80 11.235 32.201 -2.506 1.00 0.00 C ATOM 1161 CE LYS A 80 11.611 33.559 -1.931 1.00 0.00 C ATOM 1162 NZ LYS A 80 11.806 34.578 -2.999 1.00 0.00 N ATOM 0 H LYS A 80 14.115 30.782 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 80 13.863 32.545 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.659 30.188 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.555 29.668 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.316 30.274 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.438 31.443 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.439 32.189 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.164 32.037 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.830 33.893 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.526 33.465 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.061 35.489 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.569 34.271 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.925 34.686 -3.541 1.00 0.00 H new ATOM 1176 N SER A 81 15.319 30.900 -0.996 1.00 0.00 N ATOM 1177 CA SER A 81 16.458 30.550 -0.156 1.00 0.00 C ATOM 1178 C SER A 81 16.201 29.244 0.591 1.00 0.00 C ATOM 1179 O SER A 81 15.067 28.771 0.665 1.00 0.00 O ATOM 1180 CB SER A 81 16.748 31.673 0.841 1.00 0.00 C ATOM 1181 OG SER A 81 16.682 32.942 0.214 1.00 0.00 O ATOM 0 H SER A 81 14.420 30.887 -0.514 1.00 0.00 H new ATOM 0 HA SER A 81 17.326 30.414 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 81 16.030 31.631 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.737 31.530 1.277 1.00 0.00 H new ATOM 0 HG SER A 81 16.869 33.643 0.873 1.00 0.00 H new ATOM 1187 N LEU A 82 17.262 28.668 1.144 1.00 0.00 N ATOM 1188 CA LEU A 82 17.154 27.417 1.886 1.00 0.00 C ATOM 1189 C LEU A 82 16.120 27.534 3.002 1.00 0.00 C ATOM 1190 O LEU A 82 15.325 26.620 3.223 1.00 0.00 O ATOM 1191 CB LEU A 82 18.512 27.029 2.473 1.00 0.00 C ATOM 1192 CG LEU A 82 19.685 27.007 1.492 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.984 26.695 2.220 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.435 25.993 0.385 1.00 0.00 C ATOM 0 H LEU A 82 18.207 29.047 1.093 1.00 0.00 H new ATOM 0 HA LEU A 82 16.830 26.640 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.750 27.725 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 82 18.422 26.040 2.923 1.00 0.00 H new ATOM 0 HG LEU A 82 19.774 27.995 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.808 26.684 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 82 21.170 27.458 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.907 25.720 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.280 25.991 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.319 25.000 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.527 26.261 -0.155 1.00 0.00 H new ATOM 1206 N ASP A 83 16.136 28.664 3.700 1.00 0.00 N ATOM 1207 CA ASP A 83 15.198 28.902 4.791 1.00 0.00 C ATOM 1208 C ASP A 83 13.847 29.364 4.255 1.00 0.00 C ATOM 1209 O ASP A 83 12.803 28.841 4.644 1.00 0.00 O ATOM 1210 CB ASP A 83 15.761 29.946 5.757 1.00 0.00 C ATOM 1211 CG ASP A 83 16.384 29.319 6.989 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.335 28.525 6.834 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.920 29.623 8.108 1.00 0.00 O ATOM 0 H ASP A 83 16.788 29.430 3.530 1.00 0.00 H new ATOM 0 HA ASP A 83 15.055 27.963 5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.509 30.548 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.963 30.623 6.062 1.00 0.00 H new ATOM 1218 N GLU A 84 13.875 30.346 3.360 1.00 0.00 N ATOM 1219 CA GLU A 84 12.652 30.879 2.772 1.00 0.00 C ATOM 1220 C GLU A 84 11.795 29.758 2.191 1.00 0.00 C ATOM 1221 O GLU A 84 10.601 29.664 2.476 1.00 0.00 O ATOM 1222 CB GLU A 84 12.986 31.898 1.681 1.00 0.00 C ATOM 1223 CG GLU A 84 13.255 33.295 2.215 1.00 0.00 C ATOM 1224 CD GLU A 84 12.083 33.858 2.995 1.00 0.00 C ATOM 1225 OE1 GLU A 84 10.928 33.537 2.646 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.322 34.619 3.955 1.00 0.00 O ATOM 0 H GLU A 84 14.731 30.789 3.026 1.00 0.00 H new ATOM 0 HA GLU A 84 12.086 31.375 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.861 31.554 1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.160 31.942 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.136 33.271 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.485 33.960 1.383 1.00 0.00 H new ATOM 1233 N ALA A 85 12.413 28.911 1.374 1.00 0.00 N ATOM 1234 CA ALA A 85 11.708 27.796 0.754 1.00 0.00 C ATOM 1235 C ALA A 85 11.176 26.829 1.806 1.00 0.00 C ATOM 1236 O ALA A 85 10.054 26.334 1.696 1.00 0.00 O ATOM 1237 CB ALA A 85 12.624 27.068 -0.219 1.00 0.00 C ATOM 0 H ALA A 85 13.400 28.976 1.126 1.00 0.00 H new ATOM 0 HA ALA A 85 10.857 28.198 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.085 26.238 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.951 27.758 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.493 26.686 0.316 1.00 0.00 H new ATOM 1243 N GLN A 86 11.987 26.565 2.825 1.00 0.00 N ATOM 1244 CA GLN A 86 11.597 25.656 3.896 1.00 0.00 C ATOM 1245 C GLN A 86 10.589 26.317 4.831 1.00 0.00 C ATOM 1246 O GLN A 86 10.033 25.669 5.717 1.00 0.00 O ATOM 1247 CB GLN A 86 12.828 25.209 4.688 1.00 0.00 C ATOM 1248 CG GLN A 86 12.705 23.807 5.262 1.00 0.00 C ATOM 1249 CD GLN A 86 13.317 23.686 6.643 1.00 0.00 C ATOM 1250 OE1 GLN A 86 14.157 22.821 6.890 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.897 24.556 7.555 1.00 0.00 N ATOM 0 H GLN A 86 12.918 26.968 2.932 1.00 0.00 H new ATOM 0 HA GLN A 86 11.127 24.782 3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.703 25.252 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 86 13.001 25.912 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.652 23.529 5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.191 23.100 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.199 25.257 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.273 24.523 8.503 1.00 0.00 H new ATOM 1260 N ALA A 87 10.359 27.610 4.626 1.00 0.00 N ATOM 1261 CA ALA A 87 9.417 28.357 5.449 1.00 0.00 C ATOM 1262 C ALA A 87 8.033 28.388 4.809 1.00 0.00 C ATOM 1263 O ALA A 87 7.035 28.658 5.479 1.00 0.00 O ATOM 1264 CB ALA A 87 9.925 29.773 5.680 1.00 0.00 C ATOM 0 H ALA A 87 10.812 28.161 3.897 1.00 0.00 H new ATOM 0 HA ALA A 87 9.333 27.851 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.211 30.320 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.889 29.735 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.039 30.279 4.722 1.00 0.00 H new ATOM 1270 N ILE A 88 7.980 28.111 3.511 1.00 0.00 N ATOM 1271 CA ILE A 88 6.718 28.106 2.782 1.00 0.00 C ATOM 1272 C ILE A 88 5.678 27.245 3.489 1.00 0.00 C ATOM 1273 O ILE A 88 6.003 26.207 4.066 1.00 0.00 O ATOM 1274 CB ILE A 88 6.902 27.592 1.342 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.890 28.479 0.582 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.563 27.544 0.621 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.311 27.908 -0.754 1.00 0.00 C ATOM 0 H ILE A 88 8.797 27.887 2.942 1.00 0.00 H new ATOM 0 HA ILE A 88 6.369 29.138 2.749 1.00 0.00 H new ATOM 0 HB ILE A 88 7.307 26.581 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.439 29.458 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.776 28.632 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.710 27.179 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.887 26.875 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.131 28.544 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 88 9.011 28.590 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.792 26.942 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.434 27.781 -1.388 1.00 0.00 H new ATOM 1289 N LYS A 89 4.423 27.681 3.439 1.00 0.00 N ATOM 1290 CA LYS A 89 3.333 26.949 4.071 1.00 0.00 C ATOM 1291 C LYS A 89 2.359 26.413 3.026 1.00 0.00 C ATOM 1292 O LYS A 89 1.981 27.122 2.095 1.00 0.00 O ATOM 1293 CB LYS A 89 2.590 27.852 5.059 1.00 0.00 C ATOM 1294 CG LYS A 89 3.484 28.432 6.142 1.00 0.00 C ATOM 1295 CD LYS A 89 4.174 27.338 6.940 1.00 0.00 C ATOM 1296 CE LYS A 89 5.045 27.919 8.043 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.706 27.347 9.376 1.00 0.00 N ATOM 0 H LYS A 89 4.137 28.538 2.967 1.00 0.00 H new ATOM 0 HA LYS A 89 3.761 26.104 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.121 28.669 4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.788 27.281 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.233 29.080 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.889 29.053 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.425 26.677 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.786 26.731 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.094 27.723 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.922 29.002 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.321 27.768 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.712 27.556 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.847 26.317 9.358 1.00 0.00 H new ATOM 1311 N ASN A 90 1.956 25.157 3.189 1.00 0.00 N ATOM 1312 CA ASN A 90 1.026 24.526 2.259 1.00 0.00 C ATOM 1313 C ASN A 90 -0.181 25.424 2.005 1.00 0.00 C ATOM 1314 O ASN A 90 -0.742 25.434 0.908 1.00 0.00 O ATOM 1315 CB ASN A 90 0.563 23.174 2.807 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.288 23.316 4.054 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -1.573 23.593 3.865 1.00 0.00 O flip ATOM 1318 ND2 ASN A 90 0.204 23.179 5.174 1.00 0.00 N flip ATOM 0 H ASN A 90 2.259 24.556 3.956 1.00 0.00 H new ATOM 0 HA ASN A 90 1.546 24.369 1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.007 22.650 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.434 22.559 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.197 22.966 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.381 23.278 6.004 1.00 0.00 H new ATOM 1325 N THR A 91 -0.576 26.180 3.025 1.00 0.00 N ATOM 1326 CA THR A 91 -1.715 27.081 2.913 1.00 0.00 C ATOM 1327 C THR A 91 -1.553 28.028 1.729 1.00 0.00 C ATOM 1328 O THR A 91 -2.522 28.350 1.042 1.00 0.00 O ATOM 1329 CB THR A 91 -1.905 27.910 4.197 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.025 28.789 4.052 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.655 28.720 4.507 1.00 0.00 C ATOM 0 H THR A 91 -0.123 26.185 3.939 1.00 0.00 H new ATOM 0 HA THR A 91 -2.596 26.458 2.759 1.00 0.00 H new ATOM 0 HB THR A 91 -2.088 27.223 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.140 29.311 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.812 29.298 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.190 28.046 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.446 29.398 3.679 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.322 28.471 1.497 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.033 29.380 0.394 1.00 0.00 C ATOM 1341 C ASP A 92 -0.154 28.664 -0.947 1.00 0.00 C ATOM 1342 O ASP A 92 -0.603 29.247 -1.935 1.00 0.00 O ATOM 1343 CB ASP A 92 1.370 29.970 0.547 1.00 0.00 C ATOM 1344 CG ASP A 92 1.345 31.406 1.030 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.565 32.206 0.473 1.00 0.00 O ATOM 1346 OD2 ASP A 92 2.107 31.731 1.965 1.00 0.00 O ATOM 0 H ASP A 92 0.491 28.216 2.058 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.764 30.188 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.941 29.363 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.888 29.921 -0.411 1.00 0.00 H new ATOM 1351 N ILE A 93 0.250 27.399 -0.975 1.00 0.00 N ATOM 1352 CA ILE A 93 0.186 26.604 -2.195 1.00 0.00 C ATOM 1353 C ILE A 93 -1.245 26.169 -2.494 1.00 0.00 C ATOM 1354 O ILE A 93 -1.640 26.056 -3.654 1.00 0.00 O ATOM 1355 CB ILE A 93 1.081 25.354 -2.100 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.553 25.760 -2.006 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.852 24.446 -3.299 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.984 26.152 -0.610 1.00 0.00 C ATOM 0 H ILE A 93 0.625 26.902 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 93 0.547 27.239 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 93 0.817 24.804 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.173 24.932 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.735 26.596 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.492 23.567 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.192 24.134 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.092 24.986 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.039 26.428 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.390 27.001 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.835 25.311 0.067 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.017 25.929 -1.440 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.405 25.511 -1.589 1.00 0.00 C ATOM 1372 C ALA A 94 -4.254 26.628 -2.186 1.00 0.00 C ATOM 1373 O ALA A 94 -4.972 26.419 -3.163 1.00 0.00 O ATOM 1374 CB ALA A 94 -3.972 25.075 -0.246 1.00 0.00 C ATOM 0 H ALA A 94 -1.705 26.017 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.432 24.664 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.009 24.765 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.389 24.240 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.925 25.907 0.456 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.166 27.814 -1.592 1.00 0.00 N ATOM 1381 CA GLU A 95 -4.928 28.964 -2.065 1.00 0.00 C ATOM 1382 C GLU A 95 -4.375 29.473 -3.393 1.00 0.00 C ATOM 1383 O GLU A 95 -5.080 30.127 -4.160 1.00 0.00 O ATOM 1384 CB GLU A 95 -4.901 30.085 -1.025 1.00 0.00 C ATOM 1385 CG GLU A 95 -3.516 30.667 -0.793 1.00 0.00 C ATOM 1386 CD GLU A 95 -3.410 32.114 -1.234 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -3.494 32.371 -2.453 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -3.244 32.990 -0.359 1.00 0.00 O ATOM 0 H GLU A 95 -3.575 28.004 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.959 28.646 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.572 30.882 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.288 29.702 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.268 30.595 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.780 30.071 -1.334 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.108 29.168 -3.656 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.460 29.597 -4.890 1.00 0.00 C ATOM 1397 C GLU A 96 -3.297 29.210 -6.106 1.00 0.00 C ATOM 1398 O GLU A 96 -3.563 30.038 -6.979 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.064 28.979 -5.001 1.00 0.00 C ATOM 1400 CG GLU A 96 0.060 29.961 -4.718 1.00 0.00 C ATOM 1401 CD GLU A 96 0.481 30.737 -5.951 1.00 0.00 C ATOM 1402 OE1 GLU A 96 1.133 30.141 -6.833 1.00 0.00 O ATOM 1403 OE2 GLU A 96 0.157 31.940 -6.033 1.00 0.00 O ATOM 0 H GLU A 96 -2.511 28.626 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.368 30.683 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.989 28.144 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.935 28.571 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.259 30.660 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.920 29.420 -4.323 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.709 27.948 -6.157 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.515 27.451 -7.266 1.00 0.00 C ATOM 1412 C LEU A 97 -5.886 26.991 -6.780 1.00 0.00 C ATOM 1413 O LEU A 97 -6.687 26.472 -7.555 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.797 26.297 -7.967 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.367 26.578 -8.430 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.592 25.279 -8.590 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -2.373 27.362 -9.734 1.00 0.00 C ATOM 0 H LEU A 97 -3.498 27.251 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.656 28.267 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.777 25.443 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.387 26.002 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.871 27.181 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.577 25.499 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.557 24.756 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.086 24.650 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.347 27.553 -10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.887 26.785 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.890 28.310 -9.586 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.147 27.188 -5.491 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.422 26.795 -4.902 1.00 0.00 C ATOM 1431 C GLU A 98 -7.745 25.339 -5.226 1.00 0.00 C ATOM 1432 O GLU A 98 -8.786 25.037 -5.810 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.545 27.702 -5.409 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.612 29.043 -4.697 1.00 0.00 C ATOM 1435 CD GLU A 98 -10.032 29.459 -4.368 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.872 29.480 -5.292 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.304 29.763 -3.188 1.00 0.00 O ATOM 0 H GLU A 98 -5.493 27.617 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.340 26.900 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.408 27.873 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.499 27.188 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.030 28.991 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.150 29.806 -5.323 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.844 24.441 -4.844 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.031 23.016 -5.094 1.00 0.00 C ATOM 1446 C LEU A 99 -8.397 22.551 -4.599 1.00 0.00 C ATOM 1447 O LEU A 99 -8.933 23.059 -3.614 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.926 22.208 -4.410 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.632 22.034 -5.205 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -4.849 21.092 -6.379 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.117 23.382 -5.689 1.00 0.00 C ATOM 0 H LEU A 99 -5.977 24.674 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.979 22.852 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.685 22.690 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.320 21.219 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.881 21.596 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.917 20.980 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.170 20.118 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.616 21.501 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.195 23.238 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.865 23.849 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.921 24.026 -4.832 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.973 21.560 -5.295 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.282 21.003 -4.943 1.00 0.00 C ATOM 1465 C PRO A 100 -10.241 20.200 -3.647 1.00 0.00 C ATOM 1466 O PRO A 100 -9.204 19.668 -3.251 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.609 20.089 -6.127 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.284 19.716 -6.695 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.391 20.907 -6.479 1.00 0.00 C ATOM 0 HA PRO A 100 -11.024 21.783 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.164 19.208 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.226 20.602 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.882 18.832 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.367 19.478 -7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.357 20.608 -6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.390 21.570 -7.344 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.395 20.109 -2.969 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.517 19.372 -1.708 1.00 0.00 C ATOM 1479 C PRO A 101 -11.399 17.864 -1.904 1.00 0.00 C ATOM 1480 O PRO A 101 -11.351 17.104 -0.937 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.919 19.740 -1.216 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.673 20.095 -2.451 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.671 20.718 -3.383 1.00 0.00 C ATOM 0 HA PRO A 101 -10.723 19.630 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.387 18.906 -0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.887 20.576 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.126 19.211 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.483 20.790 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.901 20.499 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.650 21.803 -3.283 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.354 17.437 -3.162 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.241 16.020 -3.485 1.00 0.00 C ATOM 1493 C VAL A 102 -9.920 15.447 -2.987 1.00 0.00 C ATOM 1494 O VAL A 102 -9.846 14.285 -2.584 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.353 15.780 -5.003 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -10.404 16.696 -5.760 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -11.074 14.321 -5.332 1.00 0.00 C ATOM 0 H VAL A 102 -11.394 18.053 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.065 15.514 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.371 16.012 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.497 16.512 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.654 17.735 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.379 16.498 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.157 14.168 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.067 14.060 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.797 13.688 -4.819 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.876 16.268 -3.015 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.556 15.845 -2.565 1.00 0.00 C ATOM 1509 C LYS A 103 -6.685 17.051 -2.224 1.00 0.00 C ATOM 1510 O LYS A 103 -5.637 17.263 -2.834 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.874 14.998 -3.642 1.00 0.00 C ATOM 1512 CG LYS A 103 -6.933 15.615 -5.028 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.450 14.643 -6.092 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.162 15.353 -7.406 1.00 0.00 C ATOM 1515 NZ LYS A 103 -5.329 14.519 -8.316 1.00 0.00 N ATOM 0 H LYS A 103 -8.919 17.232 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.682 15.244 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.831 14.845 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.344 14.015 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.956 15.919 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.321 16.516 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.548 14.140 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.204 13.872 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.102 15.600 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.650 16.294 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.155 15.038 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.421 14.304 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.828 13.632 -8.528 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.125 17.835 -1.246 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.384 19.016 -0.823 1.00 0.00 C ATOM 1531 C ILE A 104 -4.927 18.675 -0.526 1.00 0.00 C ATOM 1532 O ILE A 104 -4.042 19.523 -0.650 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.013 19.658 0.428 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.459 20.072 0.143 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.193 20.857 0.878 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.579 21.189 -0.870 1.00 0.00 C ATOM 0 H ILE A 104 -7.991 17.674 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.428 19.727 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.016 18.923 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.012 19.205 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.929 20.386 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.651 21.299 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.179 20.536 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.161 21.597 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.631 21.430 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.054 22.071 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.139 20.872 -1.815 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.685 17.427 -0.137 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.335 16.972 0.175 1.00 0.00 C ATOM 1550 C HIS A 105 -2.397 17.206 -1.006 1.00 0.00 C ATOM 1551 O HIS A 105 -1.181 17.299 -0.836 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.347 15.490 0.546 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.502 15.164 1.740 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.452 15.959 2.866 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.672 14.122 1.980 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -1.627 15.421 3.746 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -1.141 14.305 3.233 1.00 0.00 N ATOM 0 H HIS A 105 -5.406 16.713 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.971 17.548 1.026 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.374 15.182 0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.997 14.908 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.466 13.300 1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.390 15.825 4.719 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.479 13.680 3.693 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.970 17.298 -2.201 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.185 17.518 -3.410 1.00 0.00 C ATOM 1567 C CYS A 106 -1.364 18.799 -3.299 1.00 0.00 C ATOM 1568 O CYS A 106 -0.345 18.955 -3.973 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.102 17.590 -4.632 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.407 15.992 -5.422 1.00 0.00 S ATOM 0 H CYS A 106 -3.975 17.224 -2.358 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.500 16.678 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.056 18.023 -4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.661 18.267 -5.364 1.00 0.00 H new ATOM 0 HG CYS A 106 -3.401 16.138 -6.714 1.00 0.00 H new ATOM 1576 N SER A 107 -1.815 19.713 -2.447 1.00 0.00 N ATOM 1577 CA SER A 107 -1.125 20.983 -2.252 1.00 0.00 C ATOM 1578 C SER A 107 -0.091 20.873 -1.135 1.00 0.00 C ATOM 1579 O SER A 107 0.902 21.601 -1.119 1.00 0.00 O ATOM 1580 CB SER A 107 -2.130 22.089 -1.925 1.00 0.00 C ATOM 1581 OG SER A 107 -2.155 22.361 -0.534 1.00 0.00 O ATOM 0 H SER A 107 -2.655 19.598 -1.880 1.00 0.00 H new ATOM 0 HA SER A 107 -0.609 21.234 -3.179 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.869 22.995 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.124 21.791 -2.258 1.00 0.00 H new ATOM 0 HG SER A 107 -3.004 22.050 -0.155 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.332 19.958 -0.202 1.00 0.00 N ATOM 1588 CA ILE A 108 0.577 19.752 0.918 1.00 0.00 C ATOM 1589 C ILE A 108 1.888 19.125 0.454 1.00 0.00 C ATOM 1590 O ILE A 108 2.931 19.303 1.085 1.00 0.00 O ATOM 1591 CB ILE A 108 -0.054 18.854 1.998 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -1.482 19.312 2.303 1.00 0.00 C ATOM 1593 CG2 ILE A 108 0.794 18.868 3.262 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.564 20.736 2.807 1.00 0.00 C ATOM 0 H ILE A 108 -1.149 19.348 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 108 0.778 20.734 1.346 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.093 17.832 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.086 19.219 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.918 18.646 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.334 18.228 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.794 18.499 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.862 19.887 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.605 20.993 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.988 20.830 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.158 21.412 2.054 1.00 0.00 H new ATOM 1606 N LEU A 109 1.828 18.393 -0.652 1.00 0.00 N ATOM 1607 CA LEU A 109 3.010 17.741 -1.203 1.00 0.00 C ATOM 1608 C LEU A 109 3.889 18.742 -1.946 1.00 0.00 C ATOM 1609 O LEU A 109 5.108 18.588 -2.008 1.00 0.00 O ATOM 1610 CB LEU A 109 2.600 16.608 -2.146 1.00 0.00 C ATOM 1611 CG LEU A 109 2.258 15.273 -1.483 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.772 14.976 -1.618 1.00 0.00 C ATOM 1613 CD2 LEU A 109 3.086 14.149 -2.088 1.00 0.00 C ATOM 0 H LEU A 109 0.973 18.236 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 109 3.584 17.326 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.735 16.937 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.411 16.441 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 109 2.499 15.343 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.547 14.022 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.198 15.767 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.506 14.925 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.829 13.207 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.877 14.077 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.146 14.357 -1.939 1.00 0.00 H new ATOM 1625 N ALA A 110 3.261 19.771 -2.506 1.00 0.00 N ATOM 1626 CA ALA A 110 3.985 20.801 -3.240 1.00 0.00 C ATOM 1627 C ALA A 110 4.985 21.517 -2.338 1.00 0.00 C ATOM 1628 O ALA A 110 6.107 21.809 -2.750 1.00 0.00 O ATOM 1629 CB ALA A 110 3.012 21.798 -3.850 1.00 0.00 C ATOM 0 H ALA A 110 2.252 19.913 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 110 4.541 20.317 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.567 22.561 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.341 21.279 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.430 22.269 -3.058 1.00 0.00 H new ATOM 1635 N GLU A 111 4.569 21.798 -1.107 1.00 0.00 N ATOM 1636 CA GLU A 111 5.428 22.483 -0.149 1.00 0.00 C ATOM 1637 C GLU A 111 6.356 21.494 0.553 1.00 0.00 C ATOM 1638 O GLU A 111 7.404 21.874 1.074 1.00 0.00 O ATOM 1639 CB GLU A 111 4.583 23.229 0.886 1.00 0.00 C ATOM 1640 CG GLU A 111 3.728 22.315 1.746 1.00 0.00 C ATOM 1641 CD GLU A 111 3.920 22.563 3.230 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.253 23.707 3.603 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.735 21.612 4.019 1.00 0.00 O ATOM 0 H GLU A 111 3.643 21.562 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 111 6.038 23.202 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.243 23.809 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.936 23.939 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.678 22.459 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.972 21.277 1.520 1.00 0.00 H new ATOM 1650 N ASP A 112 5.961 20.226 0.561 1.00 0.00 N ATOM 1651 CA ASP A 112 6.756 19.182 1.198 1.00 0.00 C ATOM 1652 C ASP A 112 7.859 18.694 0.265 1.00 0.00 C ATOM 1653 O ASP A 112 8.866 18.145 0.711 1.00 0.00 O ATOM 1654 CB ASP A 112 5.863 18.011 1.609 1.00 0.00 C ATOM 1655 CG ASP A 112 5.006 18.333 2.818 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.320 19.314 3.524 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.021 17.603 3.058 1.00 0.00 O ATOM 0 H ASP A 112 5.096 19.896 0.134 1.00 0.00 H new ATOM 0 HA ASP A 112 7.220 19.605 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.219 17.738 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.485 17.143 1.829 1.00 0.00 H new ATOM 1662 N ALA A 113 7.661 18.896 -1.034 1.00 0.00 N ATOM 1663 CA ALA A 113 8.639 18.477 -2.030 1.00 0.00 C ATOM 1664 C ALA A 113 9.888 19.351 -1.975 1.00 0.00 C ATOM 1665 O ALA A 113 11.007 18.845 -1.883 1.00 0.00 O ATOM 1666 CB ALA A 113 8.025 18.518 -3.422 1.00 0.00 C ATOM 0 H ALA A 113 6.832 19.347 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 113 8.934 17.452 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.766 18.203 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.167 17.847 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.701 19.534 -3.647 1.00 0.00 H new ATOM 1672 N ILE A 114 9.689 20.663 -2.032 1.00 0.00 N ATOM 1673 CA ILE A 114 10.799 21.606 -1.988 1.00 0.00 C ATOM 1674 C ILE A 114 11.664 21.380 -0.753 1.00 0.00 C ATOM 1675 O ILE A 114 12.876 21.596 -0.781 1.00 0.00 O ATOM 1676 CB ILE A 114 10.301 23.064 -1.992 1.00 0.00 C ATOM 1677 CG1 ILE A 114 9.582 23.383 -0.680 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.380 23.305 -3.179 1.00 0.00 C ATOM 1679 CD1 ILE A 114 9.051 24.798 -0.611 1.00 0.00 C ATOM 0 H ILE A 114 8.769 21.097 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 114 11.395 21.432 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 114 11.161 23.727 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.754 22.686 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.269 23.220 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.036 24.339 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.922 23.112 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.521 22.637 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.554 24.954 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.877 25.502 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.339 24.959 -1.420 1.00 0.00 H new ATOM 1691 N LYS A 115 11.034 20.941 0.332 1.00 0.00 N ATOM 1692 CA LYS A 115 11.745 20.681 1.578 1.00 0.00 C ATOM 1693 C LYS A 115 12.608 19.430 1.461 1.00 0.00 C ATOM 1694 O LYS A 115 13.602 19.281 2.171 1.00 0.00 O ATOM 1695 CB LYS A 115 10.752 20.523 2.732 1.00 0.00 C ATOM 1696 CG LYS A 115 10.975 21.508 3.866 1.00 0.00 C ATOM 1697 CD LYS A 115 9.666 21.893 4.536 1.00 0.00 C ATOM 1698 CE LYS A 115 8.971 23.023 3.793 1.00 0.00 C ATOM 1699 NZ LYS A 115 7.494 22.981 3.975 1.00 0.00 N ATOM 0 H LYS A 115 10.031 20.758 0.373 1.00 0.00 H new ATOM 0 HA LYS A 115 12.396 21.532 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.739 20.647 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.822 19.508 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.647 21.069 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.465 22.403 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.008 21.025 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.858 22.197 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.353 23.980 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.208 22.959 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.140 23.941 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.048 22.610 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.261 22.363 4.778 1.00 0.00 H new ATOM 1713 N ALA A 116 12.223 18.532 0.559 1.00 0.00 N ATOM 1714 CA ALA A 116 12.965 17.296 0.347 1.00 0.00 C ATOM 1715 C ALA A 116 14.254 17.554 -0.424 1.00 0.00 C ATOM 1716 O ALA A 116 15.216 16.794 -0.317 1.00 0.00 O ATOM 1717 CB ALA A 116 12.101 16.282 -0.389 1.00 0.00 C ATOM 0 H ALA A 116 11.401 18.638 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 116 13.232 16.890 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.668 15.363 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.211 16.066 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.805 16.690 -1.356 1.00 0.00 H new ATOM 1723 N ALA A 117 14.267 18.631 -1.203 1.00 0.00 N ATOM 1724 CA ALA A 117 15.439 18.990 -1.992 1.00 0.00 C ATOM 1725 C ALA A 117 16.448 19.768 -1.153 1.00 0.00 C ATOM 1726 O ALA A 117 17.658 19.596 -1.304 1.00 0.00 O ATOM 1727 CB ALA A 117 15.027 19.801 -3.211 1.00 0.00 C ATOM 0 H ALA A 117 13.479 19.270 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 117 15.917 18.069 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.912 20.062 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.350 19.211 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.523 20.712 -2.888 1.00 0.00 H new ATOM 1733 N ILE A 118 15.942 20.623 -0.270 1.00 0.00 N ATOM 1734 CA ILE A 118 16.800 21.426 0.592 1.00 0.00 C ATOM 1735 C ILE A 118 17.516 20.556 1.619 1.00 0.00 C ATOM 1736 O ILE A 118 18.619 20.880 2.060 1.00 0.00 O ATOM 1737 CB ILE A 118 15.996 22.514 1.329 1.00 0.00 C ATOM 1738 CG1 ILE A 118 15.368 23.482 0.325 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.890 23.262 2.306 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.577 24.597 0.974 1.00 0.00 C ATOM 0 H ILE A 118 14.943 20.777 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 118 17.537 21.904 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 118 15.196 22.035 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 118 16.156 23.917 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.713 22.924 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.308 24.027 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.295 22.563 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.709 23.733 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 118 14.161 25.245 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.767 24.171 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.233 25.179 1.621 1.00 0.00 H new ATOM 1752 N ALA A 119 16.884 19.449 1.993 1.00 0.00 N ATOM 1753 CA ALA A 119 17.463 18.530 2.965 1.00 0.00 C ATOM 1754 C ALA A 119 18.560 17.681 2.332 1.00 0.00 C ATOM 1755 O ALA A 119 19.416 17.135 3.029 1.00 0.00 O ATOM 1756 CB ALA A 119 16.381 17.639 3.559 1.00 0.00 C ATOM 0 H ALA A 119 15.971 19.167 1.638 1.00 0.00 H new ATOM 0 HA ALA A 119 17.912 19.121 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.828 16.958 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.633 18.257 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.907 17.063 2.764 1.00 0.00 H new ATOM 1762 N ASP A 120 18.529 17.574 1.008 1.00 0.00 N ATOM 1763 CA ASP A 120 19.522 16.792 0.281 1.00 0.00 C ATOM 1764 C ASP A 120 20.788 17.608 0.040 1.00 0.00 C ATOM 1765 O ASP A 120 21.898 17.079 0.086 1.00 0.00 O ATOM 1766 CB ASP A 120 18.948 16.313 -1.054 1.00 0.00 C ATOM 1767 CG ASP A 120 19.207 14.840 -1.301 1.00 0.00 C ATOM 1768 OD1 ASP A 120 18.508 14.004 -0.690 1.00 0.00 O ATOM 1769 OD2 ASP A 120 20.110 14.523 -2.103 1.00 0.00 O ATOM 0 H ASP A 120 17.827 18.019 0.417 1.00 0.00 H new ATOM 0 HA ASP A 120 19.781 15.925 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.874 16.498 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.385 16.897 -1.864 1.00 0.00 H new ATOM 1774 N TYR A 121 20.612 18.900 -0.217 1.00 0.00 N ATOM 1775 CA TYR A 121 21.740 19.789 -0.468 1.00 0.00 C ATOM 1776 C TYR A 121 22.655 19.866 0.750 1.00 0.00 C ATOM 1777 O TYR A 121 23.871 19.709 0.639 1.00 0.00 O ATOM 1778 CB TYR A 121 21.241 21.188 -0.835 1.00 0.00 C ATOM 1779 CG TYR A 121 22.336 22.230 -0.877 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.566 21.950 -1.460 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.141 23.494 -0.333 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.570 22.899 -1.500 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.138 24.449 -0.370 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.351 24.146 -0.954 1.00 0.00 C ATOM 1785 OH TYR A 121 25.348 25.094 -0.992 1.00 0.00 O ATOM 0 H TYR A 121 19.700 19.354 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 121 22.311 19.383 -1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.753 21.147 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.485 21.496 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.740 20.974 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.193 23.734 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.521 22.665 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 121 22.969 25.427 0.056 1.00 0.00 H new ATOM 0 HH TYR A 121 25.032 25.918 -0.566 1.00 0.00 H new ATOM 1795 N LYS A 122 22.061 20.109 1.913 1.00 0.00 N ATOM 1796 CA LYS A 122 22.819 20.206 3.155 1.00 0.00 C ATOM 1797 C LYS A 122 23.524 18.889 3.466 1.00 0.00 C ATOM 1798 O LYS A 122 24.497 18.858 4.219 1.00 0.00 O ATOM 1799 CB LYS A 122 21.895 20.588 4.313 1.00 0.00 C ATOM 1800 CG LYS A 122 20.949 21.730 3.985 1.00 0.00 C ATOM 1801 CD LYS A 122 20.945 22.783 5.081 1.00 0.00 C ATOM 1802 CE LYS A 122 19.783 22.583 6.042 1.00 0.00 C ATOM 1803 NZ LYS A 122 20.230 22.585 7.462 1.00 0.00 N ATOM 0 H LYS A 122 21.056 20.243 2.022 1.00 0.00 H new ATOM 0 HA LYS A 122 23.574 20.982 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.310 19.715 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.502 20.866 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.243 22.188 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.940 21.340 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.885 22.741 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.882 23.775 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.048 23.373 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.286 21.639 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.409 22.446 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.913 21.815 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.681 23.496 7.683 1.00 0.00 H new ATOM 1817 N SER A 123 23.027 17.804 2.880 1.00 0.00 N ATOM 1818 CA SER A 123 23.608 16.485 3.097 1.00 0.00 C ATOM 1819 C SER A 123 24.844 16.285 2.225 1.00 0.00 C ATOM 1820 O SER A 123 25.698 15.448 2.518 1.00 0.00 O ATOM 1821 CB SER A 123 22.577 15.395 2.797 1.00 0.00 C ATOM 1822 OG SER A 123 22.930 14.173 3.422 1.00 0.00 O ATOM 0 H SER A 123 22.224 17.813 2.252 1.00 0.00 H new ATOM 0 HA SER A 123 23.907 16.415 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.594 15.714 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.502 15.248 1.720 1.00 0.00 H new ATOM 0 HG SER A 123 22.255 13.493 3.216 1.00 0.00 H new ATOM 1828 N LYS A 124 24.933 17.061 1.149 1.00 0.00 N ATOM 1829 CA LYS A 124 26.063 16.972 0.233 1.00 0.00 C ATOM 1830 C LYS A 124 27.306 17.615 0.839 1.00 0.00 C ATOM 1831 O LYS A 124 28.432 17.296 0.455 1.00 0.00 O ATOM 1832 CB LYS A 124 25.723 17.649 -1.097 1.00 0.00 C ATOM 1833 CG LYS A 124 24.629 16.941 -1.878 1.00 0.00 C ATOM 1834 CD LYS A 124 25.060 15.547 -2.301 1.00 0.00 C ATOM 1835 CE LYS A 124 26.273 15.592 -3.218 1.00 0.00 C ATOM 1836 NZ LYS A 124 26.630 14.241 -3.732 1.00 0.00 N ATOM 0 H LYS A 124 24.235 17.759 0.891 1.00 0.00 H new ATOM 0 HA LYS A 124 26.271 15.917 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 124 25.413 18.676 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.623 17.698 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 124 23.729 16.875 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 124 24.373 17.527 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 124 25.293 14.953 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 124 24.235 15.049 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 124 26.070 16.258 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 124 27.122 16.011 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 27.461 14.314 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 26.849 13.612 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.830 13.851 -4.270 1.00 0.00 H new ATOM 1850 N ARG A 125 27.095 18.521 1.788 1.00 0.00 N ATOM 1851 CA ARG A 125 28.199 19.209 2.447 1.00 0.00 C ATOM 1852 C ARG A 125 28.356 18.729 3.887 1.00 0.00 C ATOM 1853 O ARG A 125 29.315 19.088 4.570 1.00 0.00 O ATOM 1854 CB ARG A 125 27.973 20.721 2.424 1.00 0.00 C ATOM 1855 CG ARG A 125 26.717 21.161 3.160 1.00 0.00 C ATOM 1856 CD ARG A 125 27.046 22.088 4.319 1.00 0.00 C ATOM 1857 NE ARG A 125 27.577 23.369 3.862 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.819 24.352 3.389 1.00 0.00 C ATOM 1859 NH1 ARG A 125 25.504 24.202 3.313 1.00 0.00 N ATOM 1860 NH2 ARG A 125 27.376 25.489 2.992 1.00 0.00 N ATOM 0 H ARG A 125 26.170 18.796 2.118 1.00 0.00 H new ATOM 0 HA ARG A 125 29.115 18.978 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.837 21.216 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.913 21.055 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.046 21.668 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.187 20.285 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 125 26.148 22.259 4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.773 21.607 4.973 1.00 0.00 H new ATOM 0 HE ARG A 125 28.585 23.517 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 125 25.072 23.330 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 125 24.925 24.959 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 125 28.387 25.609 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 125 26.793 26.243 2.629 1.00 0.00 H new