USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 915 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 123 THR OG1 : rot 148:sc= 1.99 USER MOD Set 1.2: A 133 THR OG1 : rot -94:sc= 0.847 USER MOD Set 2.1: A 119 GLN : amide:sc= -3.11! K(o=-3.2!,f=1.4) USER MOD Set 2.2: A 137 SER OG : rot 180:sc= -0.132 USER MOD Set 3.1: A 48 THR OG1 : rot 110:sc= -0.277 USER MOD Set 3.2: A 87 MET CE :methyl 177:sc= -0.69 (180deg=-0.495) USER MOD Single : A 25 SER OG : rot 31:sc= 0.813 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.043) USER MOD Single : A 38 SER OG : rot -22:sc= -0.62! USER MOD Single : A 41 TYR OH : rot 31:sc= 1.85 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -1.52 (180deg=-2.14!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.47 K(o=0.47,f=-8.6!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -49:sc= 0.573 USER MOD Single : A 53 HIS : no HE2:sc= 0.0836 K(o=0.084,f=-3.7!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00766 USER MOD Single : A 58 CYS SG : rot -16:sc= -3.61! USER MOD Single : A 61 SER OG : rot -46:sc= 0.177 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-0.73) USER MOD Single : A 66 SER OG : rot 109:sc= 0.43 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0429) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 22:sc= 0.886 USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= 0.516 (180deg=0.333) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.96) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.15) USER MOD Single : A 143 LYS NZ :NH3+ 178:sc= 0.148 (180deg=0.147) USER MOD ----------------------------------------------------------------- ATOM 364 N GLY A 24 8.092 -0.121 -4.035 1.00 0.54 N ATOM 365 CA GLY A 24 7.319 -1.146 -4.650 1.00 0.46 C ATOM 366 C GLY A 24 6.556 -1.960 -3.626 1.00 0.33 C ATOM 367 O GLY A 24 7.156 -2.690 -2.846 1.00 0.39 O ATOM 0 HA2 GLY A 24 6.619 -0.700 -5.356 1.00 0.46 H new ATOM 0 HA3 GLY A 24 7.974 -1.803 -5.223 1.00 0.46 H new ATOM 371 N SER A 25 5.245 -1.775 -3.602 1.00 0.28 N ATOM 372 CA SER A 25 4.316 -2.599 -2.830 1.00 0.30 C ATOM 373 C SER A 25 2.901 -2.263 -3.267 1.00 0.32 C ATOM 374 O SER A 25 1.945 -2.359 -2.503 1.00 0.39 O ATOM 375 CB SER A 25 4.436 -2.380 -1.322 1.00 0.37 C ATOM 376 OG SER A 25 5.618 -2.957 -0.791 1.00 1.20 O ATOM 0 H SER A 25 4.783 -1.033 -4.128 1.00 0.28 H new ATOM 0 HA SER A 25 4.561 -3.643 -3.022 1.00 0.30 H new ATOM 0 HB2 SER A 25 4.428 -1.311 -1.110 1.00 0.37 H new ATOM 0 HB3 SER A 25 3.567 -2.810 -0.823 1.00 0.37 H new ATOM 0 HG SER A 25 6.326 -2.935 -1.469 1.00 1.20 H new ATOM 382 N VAL A 26 2.787 -1.873 -4.513 1.00 0.28 N ATOM 383 CA VAL A 26 1.535 -1.377 -5.056 1.00 0.30 C ATOM 384 C VAL A 26 1.276 -2.013 -6.409 1.00 0.30 C ATOM 385 O VAL A 26 2.217 -2.451 -7.069 1.00 0.30 O ATOM 386 CB VAL A 26 1.566 0.162 -5.203 1.00 0.33 C ATOM 387 CG1 VAL A 26 1.683 0.833 -3.844 1.00 0.93 C ATOM 388 CG2 VAL A 26 2.714 0.577 -6.109 1.00 0.88 C ATOM 0 H VAL A 26 3.556 -1.888 -5.183 1.00 0.28 H new ATOM 0 HA VAL A 26 0.734 -1.641 -4.366 1.00 0.30 H new ATOM 0 HB VAL A 26 0.629 0.486 -5.656 1.00 0.33 H new ATOM 0 HG11 VAL A 26 1.703 1.915 -3.973 1.00 0.93 H new ATOM 0 HG12 VAL A 26 0.828 0.557 -3.227 1.00 0.93 H new ATOM 0 HG13 VAL A 26 2.602 0.509 -3.356 1.00 0.93 H new ATOM 0 HG21 VAL A 26 2.727 1.663 -6.206 1.00 0.88 H new ATOM 0 HG22 VAL A 26 3.657 0.240 -5.679 1.00 0.88 H new ATOM 0 HG23 VAL A 26 2.582 0.126 -7.093 1.00 0.88 H new ATOM 398 N THR A 27 0.005 -2.110 -6.785 1.00 0.33 N ATOM 399 CA THR A 27 -0.377 -2.486 -8.142 1.00 0.36 C ATOM 400 C THR A 27 -1.901 -2.515 -8.326 1.00 0.38 C ATOM 401 O THR A 27 -2.411 -1.965 -9.302 1.00 0.48 O ATOM 402 CB THR A 27 0.241 -3.840 -8.584 1.00 0.39 C ATOM 403 OG1 THR A 27 -0.351 -4.290 -9.811 1.00 0.47 O ATOM 404 CG2 THR A 27 0.078 -4.908 -7.516 1.00 0.39 C ATOM 0 H THR A 27 -0.784 -1.932 -6.163 1.00 0.33 H new ATOM 0 HA THR A 27 0.032 -1.708 -8.787 1.00 0.36 H new ATOM 0 HB THR A 27 1.307 -3.672 -8.738 1.00 0.39 H new ATOM 0 HG1 THR A 27 0.052 -5.144 -10.075 1.00 0.47 H new ATOM 0 HG21 THR A 27 0.523 -5.840 -7.863 1.00 0.39 H new ATOM 0 HG22 THR A 27 0.576 -4.587 -6.601 1.00 0.39 H new ATOM 0 HG23 THR A 27 -0.982 -5.064 -7.317 1.00 0.39 H new ATOM 412 N ASP A 28 -2.634 -3.128 -7.395 1.00 0.35 N ATOM 413 CA ASP A 28 -4.080 -3.293 -7.570 1.00 0.42 C ATOM 414 C ASP A 28 -4.790 -3.440 -6.239 1.00 0.35 C ATOM 415 O ASP A 28 -4.213 -3.926 -5.275 1.00 0.37 O ATOM 416 CB ASP A 28 -4.367 -4.541 -8.394 1.00 0.57 C ATOM 417 CG ASP A 28 -5.802 -4.615 -8.866 1.00 1.08 C ATOM 418 OD1 ASP A 28 -6.209 -3.760 -9.675 1.00 1.69 O ATOM 419 OD2 ASP A 28 -6.517 -5.551 -8.456 1.00 1.44 O ATOM 0 H ASP A 28 -2.260 -3.512 -6.527 1.00 0.35 H new ATOM 0 HA ASP A 28 -4.446 -2.400 -8.077 1.00 0.42 H new ATOM 0 HB2 ASP A 28 -3.704 -4.560 -9.259 1.00 0.57 H new ATOM 0 HB3 ASP A 28 -4.139 -5.425 -7.798 1.00 0.57 H new ATOM 424 N VAL A 29 -6.048 -3.028 -6.199 1.00 0.39 N ATOM 425 CA VAL A 29 -6.891 -3.226 -5.030 1.00 0.41 C ATOM 426 C VAL A 29 -8.331 -3.499 -5.481 1.00 0.37 C ATOM 427 O VAL A 29 -8.941 -2.674 -6.159 1.00 0.42 O ATOM 428 CB VAL A 29 -6.857 -2.007 -4.082 1.00 0.60 C ATOM 429 CG1 VAL A 29 -7.770 -2.240 -2.898 1.00 1.13 C ATOM 430 CG2 VAL A 29 -5.442 -1.717 -3.594 1.00 1.14 C ATOM 0 H VAL A 29 -6.511 -2.550 -6.972 1.00 0.39 H new ATOM 0 HA VAL A 29 -6.505 -4.081 -4.476 1.00 0.41 H new ATOM 0 HB VAL A 29 -7.205 -1.141 -4.644 1.00 0.60 H new ATOM 0 HG11 VAL A 29 -7.737 -1.374 -2.237 1.00 1.13 H new ATOM 0 HG12 VAL A 29 -8.791 -2.390 -3.250 1.00 1.13 H new ATOM 0 HG13 VAL A 29 -7.441 -3.125 -2.353 1.00 1.13 H new ATOM 0 HG21 VAL A 29 -5.456 -0.853 -2.929 1.00 1.14 H new ATOM 0 HG22 VAL A 29 -5.058 -2.583 -3.055 1.00 1.14 H new ATOM 0 HG23 VAL A 29 -4.798 -1.507 -4.448 1.00 1.14 H new ATOM 440 N ASP A 30 -8.864 -4.656 -5.104 1.00 0.37 N ATOM 441 CA ASP A 30 -10.166 -5.110 -5.601 1.00 0.38 C ATOM 442 C ASP A 30 -11.199 -5.156 -4.484 1.00 0.42 C ATOM 443 O ASP A 30 -11.115 -6.003 -3.605 1.00 0.54 O ATOM 444 CB ASP A 30 -10.020 -6.514 -6.185 1.00 0.51 C ATOM 445 CG ASP A 30 -11.109 -6.866 -7.176 1.00 1.00 C ATOM 446 OD1 ASP A 30 -12.283 -6.946 -6.761 1.00 1.16 O ATOM 447 OD2 ASP A 30 -10.805 -7.057 -8.373 1.00 1.83 O ATOM 0 H ASP A 30 -8.416 -5.301 -4.454 1.00 0.37 H new ATOM 0 HA ASP A 30 -10.502 -4.406 -6.362 1.00 0.38 H new ATOM 0 HB2 ASP A 30 -9.051 -6.597 -6.676 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -10.029 -7.241 -5.373 1.00 0.51 H new ATOM 452 N LEU A 31 -12.181 -4.268 -4.526 1.00 0.47 N ATOM 453 CA LEU A 31 -13.206 -4.210 -3.483 1.00 0.57 C ATOM 454 C LEU A 31 -14.260 -5.299 -3.701 1.00 0.58 C ATOM 455 O LEU A 31 -14.774 -5.455 -4.811 1.00 0.67 O ATOM 456 CB LEU A 31 -13.852 -2.813 -3.473 1.00 0.71 C ATOM 457 CG LEU A 31 -14.782 -2.497 -2.290 1.00 0.85 C ATOM 458 CD1 LEU A 31 -16.174 -3.075 -2.505 1.00 0.94 C ATOM 459 CD2 LEU A 31 -14.187 -3.023 -0.994 1.00 0.86 C ATOM 0 H LEU A 31 -12.294 -3.577 -5.268 1.00 0.47 H new ATOM 0 HA LEU A 31 -12.740 -4.389 -2.514 1.00 0.57 H new ATOM 0 HB2 LEU A 31 -13.056 -2.069 -3.490 1.00 0.71 H new ATOM 0 HB3 LEU A 31 -14.420 -2.693 -4.395 1.00 0.71 H new ATOM 0 HG LEU A 31 -14.877 -1.413 -2.223 1.00 0.85 H new ATOM 0 HD11 LEU A 31 -16.805 -2.833 -1.650 1.00 0.94 H new ATOM 0 HD12 LEU A 31 -16.609 -2.649 -3.409 1.00 0.94 H new ATOM 0 HD13 LEU A 31 -16.106 -4.158 -2.610 1.00 0.94 H new ATOM 0 HD21 LEU A 31 -14.857 -2.792 -0.166 1.00 0.86 H new ATOM 0 HD22 LEU A 31 -14.057 -4.103 -1.065 1.00 0.86 H new ATOM 0 HD23 LEU A 31 -13.219 -2.552 -0.820 1.00 0.86 H new ATOM 471 N LYS A 32 -14.581 -6.058 -2.648 1.00 0.56 N ATOM 472 CA LYS A 32 -15.581 -7.109 -2.761 1.00 0.60 C ATOM 473 C LYS A 32 -16.534 -7.197 -1.567 1.00 0.82 C ATOM 474 O LYS A 32 -17.532 -6.499 -1.501 1.00 1.33 O ATOM 475 CB LYS A 32 -14.931 -8.477 -2.999 1.00 0.62 C ATOM 476 CG LYS A 32 -13.771 -8.850 -2.077 1.00 0.65 C ATOM 477 CD LYS A 32 -12.418 -8.585 -2.723 1.00 0.90 C ATOM 478 CE LYS A 32 -12.305 -9.212 -4.107 1.00 1.10 C ATOM 479 NZ LYS A 32 -12.593 -10.671 -4.100 1.00 1.32 N ATOM 0 H LYS A 32 -14.165 -5.962 -1.722 1.00 0.56 H new ATOM 0 HA LYS A 32 -16.182 -6.829 -3.626 1.00 0.60 H new ATOM 0 HB2 LYS A 32 -15.702 -9.242 -2.904 1.00 0.62 H new ATOM 0 HB3 LYS A 32 -14.573 -8.510 -4.028 1.00 0.62 H new ATOM 0 HG2 LYS A 32 -13.848 -8.281 -1.150 1.00 0.65 H new ATOM 0 HG3 LYS A 32 -13.845 -9.904 -1.811 1.00 0.65 H new ATOM 0 HD2 LYS A 32 -12.259 -7.509 -2.800 1.00 0.90 H new ATOM 0 HD3 LYS A 32 -11.629 -8.979 -2.083 1.00 0.90 H new ATOM 0 HE2 LYS A 32 -12.996 -8.712 -4.786 1.00 1.10 H new ATOM 0 HE3 LYS A 32 -11.300 -9.046 -4.496 1.00 1.10 H new ATOM 0 HZ1 LYS A 32 -12.372 -11.073 -5.033 1.00 1.32 H new ATOM 0 HZ2 LYS A 32 -12.010 -11.136 -3.375 1.00 1.32 H new ATOM 0 HZ3 LYS A 32 -13.599 -10.825 -3.886 1.00 1.32 H new ATOM 493 N ASP A 33 -16.149 -7.950 -0.569 1.00 0.60 N ATOM 494 CA ASP A 33 -17.110 -8.592 0.325 1.00 0.94 C ATOM 495 C ASP A 33 -17.428 -7.736 1.517 1.00 0.53 C ATOM 496 O ASP A 33 -17.024 -6.603 1.567 1.00 1.46 O ATOM 497 CB ASP A 33 -16.539 -9.898 0.818 1.00 2.08 C ATOM 498 CG ASP A 33 -17.563 -11.011 0.793 1.00 2.37 C ATOM 499 OD1 ASP A 33 -18.279 -11.186 1.799 1.00 2.32 O ATOM 500 OD2 ASP A 33 -17.643 -11.727 -0.226 1.00 2.85 O ATOM 0 H ASP A 33 -15.173 -8.142 -0.345 1.00 0.60 H new ATOM 0 HA ASP A 33 -18.028 -8.752 -0.241 1.00 0.94 H new ATOM 0 HB2 ASP A 33 -15.686 -10.177 0.200 1.00 2.08 H new ATOM 0 HB3 ASP A 33 -16.168 -9.770 1.835 1.00 2.08 H new ATOM 571 N SER A 38 -18.170 -6.026 7.877 1.00 0.54 N ATOM 572 CA SER A 38 -17.007 -5.343 7.331 1.00 0.48 C ATOM 573 C SER A 38 -16.751 -5.752 5.887 1.00 0.50 C ATOM 574 O SER A 38 -16.725 -6.939 5.551 1.00 0.94 O ATOM 575 CB SER A 38 -15.779 -5.661 8.179 1.00 0.55 C ATOM 576 OG SER A 38 -14.731 -4.734 7.952 1.00 0.76 O ATOM 0 HA SER A 38 -17.204 -4.271 7.351 1.00 0.48 H new ATOM 0 HB2 SER A 38 -16.053 -5.650 9.234 1.00 0.55 H new ATOM 0 HB3 SER A 38 -15.430 -6.668 7.951 1.00 0.55 H new ATOM 0 HG SER A 38 -14.857 -4.305 7.080 1.00 0.76 H new ATOM 582 N VAL A 39 -16.545 -4.755 5.049 1.00 0.33 N ATOM 583 CA VAL A 39 -16.321 -4.967 3.633 1.00 0.35 C ATOM 584 C VAL A 39 -14.889 -5.457 3.388 1.00 0.31 C ATOM 585 O VAL A 39 -14.006 -5.241 4.222 1.00 0.34 O ATOM 586 CB VAL A 39 -16.631 -3.668 2.852 1.00 0.43 C ATOM 587 CG1 VAL A 39 -16.367 -3.815 1.368 1.00 0.86 C ATOM 588 CG2 VAL A 39 -18.077 -3.271 3.080 1.00 0.86 C ATOM 0 H VAL A 39 -16.528 -3.775 5.331 1.00 0.33 H new ATOM 0 HA VAL A 39 -16.995 -5.743 3.269 1.00 0.35 H new ATOM 0 HB VAL A 39 -15.965 -2.891 3.226 1.00 0.43 H new ATOM 0 HG11 VAL A 39 -16.599 -2.878 0.863 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -15.318 -4.063 1.208 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -16.994 -4.610 0.964 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -18.294 -2.356 2.529 1.00 0.86 H new ATOM 0 HG22 VAL A 39 -18.733 -4.069 2.731 1.00 0.86 H new ATOM 0 HG23 VAL A 39 -18.245 -3.103 4.144 1.00 0.86 H new ATOM 598 N GLU A 40 -14.642 -6.159 2.284 1.00 0.33 N ATOM 599 CA GLU A 40 -13.334 -6.726 2.081 1.00 0.36 C ATOM 600 C GLU A 40 -12.807 -6.364 0.714 1.00 0.38 C ATOM 601 O GLU A 40 -13.559 -6.354 -0.251 1.00 0.50 O ATOM 602 CB GLU A 40 -13.411 -8.240 2.253 1.00 0.52 C ATOM 603 CG GLU A 40 -13.627 -8.666 3.700 1.00 0.62 C ATOM 604 CD GLU A 40 -13.776 -10.166 3.872 1.00 0.89 C ATOM 605 OE1 GLU A 40 -14.820 -10.712 3.468 1.00 1.16 O ATOM 606 OE2 GLU A 40 -12.859 -10.802 4.437 1.00 1.19 O ATOM 0 H GLU A 40 -15.317 -6.339 1.541 1.00 0.33 H new ATOM 0 HA GLU A 40 -12.643 -6.320 2.820 1.00 0.36 H new ATOM 0 HB2 GLU A 40 -14.225 -8.628 1.641 1.00 0.52 H new ATOM 0 HB3 GLU A 40 -12.490 -8.689 1.882 1.00 0.52 H new ATOM 0 HG2 GLU A 40 -12.786 -8.321 4.302 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -14.519 -8.173 4.086 1.00 0.62 H new ATOM 613 N TYR A 41 -11.524 -6.044 0.622 1.00 0.37 N ATOM 614 CA TYR A 41 -10.934 -5.788 -0.697 1.00 0.56 C ATOM 615 C TYR A 41 -9.544 -6.374 -0.828 1.00 0.43 C ATOM 616 O TYR A 41 -8.710 -6.225 0.052 1.00 0.40 O ATOM 617 CB TYR A 41 -10.912 -4.302 -1.069 1.00 0.89 C ATOM 618 CG TYR A 41 -10.190 -3.400 -0.110 1.00 0.86 C ATOM 619 CD1 TYR A 41 -8.814 -3.463 0.032 1.00 1.65 C ATOM 620 CD2 TYR A 41 -10.883 -2.473 0.636 1.00 1.30 C ATOM 621 CE1 TYR A 41 -8.150 -2.636 0.899 1.00 2.63 C ATOM 622 CE2 TYR A 41 -10.228 -1.638 1.505 1.00 2.04 C ATOM 623 CZ TYR A 41 -8.862 -1.725 1.634 1.00 2.72 C ATOM 624 OH TYR A 41 -8.214 -0.908 2.516 1.00 3.73 O ATOM 0 H TYR A 41 -10.885 -5.956 1.412 1.00 0.37 H new ATOM 0 HA TYR A 41 -11.592 -6.295 -1.403 1.00 0.56 H new ATOM 0 HB2 TYR A 41 -10.452 -4.199 -2.052 1.00 0.89 H new ATOM 0 HB3 TYR A 41 -11.941 -3.954 -1.161 1.00 0.89 H new ATOM 0 HD1 TYR A 41 -8.254 -4.178 -0.552 1.00 1.65 H new ATOM 0 HD2 TYR A 41 -11.956 -2.402 0.536 1.00 1.30 H new ATOM 0 HE1 TYR A 41 -7.077 -2.701 1.002 1.00 2.63 H new ATOM 0 HE2 TYR A 41 -10.783 -0.916 2.085 1.00 2.04 H new ATOM 0 HH TYR A 41 -7.309 -0.725 2.188 1.00 3.73 H new ATOM 634 N LEU A 42 -9.299 -7.028 -1.945 1.00 0.41 N ATOM 635 CA LEU A 42 -8.049 -7.732 -2.142 1.00 0.38 C ATOM 636 C LEU A 42 -6.985 -6.734 -2.550 1.00 0.34 C ATOM 637 O LEU A 42 -7.044 -6.156 -3.637 1.00 0.38 O ATOM 638 CB LEU A 42 -8.216 -8.828 -3.208 1.00 0.49 C ATOM 639 CG LEU A 42 -7.213 -9.992 -3.141 1.00 0.55 C ATOM 640 CD1 LEU A 42 -5.793 -9.522 -3.411 1.00 0.71 C ATOM 641 CD2 LEU A 42 -7.287 -10.682 -1.787 1.00 0.81 C ATOM 0 H LEU A 42 -9.948 -7.087 -2.729 1.00 0.41 H new ATOM 0 HA LEU A 42 -7.747 -8.217 -1.214 1.00 0.38 H new ATOM 0 HB2 LEU A 42 -9.223 -9.237 -3.125 1.00 0.49 H new ATOM 0 HB3 LEU A 42 -8.140 -8.365 -4.192 1.00 0.49 H new ATOM 0 HG LEU A 42 -7.485 -10.705 -3.919 1.00 0.55 H new ATOM 0 HD11 LEU A 42 -5.112 -10.371 -3.355 1.00 0.71 H new ATOM 0 HD12 LEU A 42 -5.739 -9.078 -4.405 1.00 0.71 H new ATOM 0 HD13 LEU A 42 -5.508 -8.779 -2.666 1.00 0.71 H new ATOM 0 HD21 LEU A 42 -6.571 -11.503 -1.757 1.00 0.81 H new ATOM 0 HD22 LEU A 42 -7.051 -9.966 -1.000 1.00 0.81 H new ATOM 0 HD23 LEU A 42 -8.293 -11.072 -1.632 1.00 0.81 H new ATOM 653 N ALA A 43 -6.032 -6.514 -1.667 1.00 0.33 N ATOM 654 CA ALA A 43 -4.959 -5.588 -1.946 1.00 0.36 C ATOM 655 C ALA A 43 -3.802 -6.317 -2.601 1.00 0.35 C ATOM 656 O ALA A 43 -3.010 -6.988 -1.939 1.00 0.37 O ATOM 657 CB ALA A 43 -4.516 -4.879 -0.676 1.00 0.42 C ATOM 0 H ALA A 43 -5.981 -6.964 -0.753 1.00 0.33 H new ATOM 0 HA ALA A 43 -5.321 -4.827 -2.638 1.00 0.36 H new ATOM 0 HB1 ALA A 43 -3.707 -4.186 -0.909 1.00 0.42 H new ATOM 0 HB2 ALA A 43 -5.357 -4.327 -0.255 1.00 0.42 H new ATOM 0 HB3 ALA A 43 -4.166 -5.615 0.048 1.00 0.42 H new ATOM 663 N LYS A 44 -3.721 -6.201 -3.912 1.00 0.38 N ATOM 664 CA LYS A 44 -2.647 -6.821 -4.651 1.00 0.39 C ATOM 665 C LYS A 44 -1.434 -5.909 -4.610 1.00 0.36 C ATOM 666 O LYS A 44 -1.504 -4.731 -4.960 1.00 0.47 O ATOM 667 CB LYS A 44 -3.073 -7.107 -6.096 1.00 0.53 C ATOM 668 CG LYS A 44 -1.993 -7.778 -6.936 1.00 0.95 C ATOM 669 CD LYS A 44 -1.556 -9.123 -6.362 1.00 1.58 C ATOM 670 CE LYS A 44 -2.546 -10.244 -6.671 1.00 1.61 C ATOM 671 NZ LYS A 44 -3.817 -10.123 -5.912 1.00 2.63 N ATOM 0 H LYS A 44 -4.387 -5.683 -4.484 1.00 0.38 H new ATOM 0 HA LYS A 44 -2.394 -7.778 -4.194 1.00 0.39 H new ATOM 0 HB2 LYS A 44 -3.958 -7.743 -6.085 1.00 0.53 H new ATOM 0 HB3 LYS A 44 -3.360 -6.170 -6.572 1.00 0.53 H new ATOM 0 HG2 LYS A 44 -2.364 -7.923 -7.950 1.00 0.95 H new ATOM 0 HG3 LYS A 44 -1.128 -7.118 -7.005 1.00 0.95 H new ATOM 0 HD2 LYS A 44 -0.578 -9.386 -6.766 1.00 1.58 H new ATOM 0 HD3 LYS A 44 -1.441 -9.033 -5.282 1.00 1.58 H new ATOM 0 HE2 LYS A 44 -2.766 -10.243 -7.739 1.00 1.61 H new ATOM 0 HE3 LYS A 44 -2.083 -11.204 -6.442 1.00 1.61 H new ATOM 0 HZ1 LYS A 44 -4.305 -11.041 -5.904 1.00 2.63 H new ATOM 0 HZ2 LYS A 44 -3.612 -9.831 -4.935 1.00 2.63 H new ATOM 0 HZ3 LYS A 44 -4.425 -9.412 -6.365 1.00 2.63 H new ATOM 685 N VAL A 45 -0.333 -6.464 -4.158 1.00 0.31 N ATOM 686 CA VAL A 45 0.879 -5.708 -3.927 1.00 0.33 C ATOM 687 C VAL A 45 1.978 -6.174 -4.857 1.00 0.28 C ATOM 688 O VAL A 45 2.123 -7.359 -5.115 1.00 0.30 O ATOM 689 CB VAL A 45 1.333 -5.894 -2.466 1.00 0.44 C ATOM 690 CG1 VAL A 45 2.729 -5.352 -2.236 1.00 0.82 C ATOM 691 CG2 VAL A 45 0.343 -5.238 -1.519 1.00 0.51 C ATOM 0 H VAL A 45 -0.251 -7.457 -3.939 1.00 0.31 H new ATOM 0 HA VAL A 45 0.676 -4.655 -4.119 1.00 0.33 H new ATOM 0 HB VAL A 45 1.362 -6.965 -2.263 1.00 0.44 H new ATOM 0 HG11 VAL A 45 3.011 -5.503 -1.194 1.00 0.82 H new ATOM 0 HG12 VAL A 45 3.434 -5.876 -2.882 1.00 0.82 H new ATOM 0 HG13 VAL A 45 2.748 -4.287 -2.467 1.00 0.82 H new ATOM 0 HG21 VAL A 45 0.676 -5.377 -0.491 1.00 0.51 H new ATOM 0 HG22 VAL A 45 0.280 -4.172 -1.739 1.00 0.51 H new ATOM 0 HG23 VAL A 45 -0.639 -5.693 -1.647 1.00 0.51 H new ATOM 701 N SER A 46 2.736 -5.249 -5.386 1.00 0.25 N ATOM 702 CA SER A 46 3.901 -5.614 -6.136 1.00 0.25 C ATOM 703 C SER A 46 5.119 -4.921 -5.553 1.00 0.24 C ATOM 704 O SER A 46 5.305 -3.718 -5.727 1.00 0.26 O ATOM 705 CB SER A 46 3.700 -5.279 -7.609 1.00 0.28 C ATOM 706 OG SER A 46 3.619 -6.460 -8.393 1.00 0.72 O ATOM 0 H SER A 46 2.567 -4.246 -5.310 1.00 0.25 H new ATOM 0 HA SER A 46 4.066 -6.689 -6.068 1.00 0.25 H new ATOM 0 HB2 SER A 46 2.789 -4.694 -7.731 1.00 0.28 H new ATOM 0 HB3 SER A 46 4.526 -4.661 -7.961 1.00 0.28 H new ATOM 0 HG SER A 46 3.489 -6.220 -9.334 1.00 0.72 H new ATOM 712 N VAL A 47 5.922 -5.694 -4.834 1.00 0.25 N ATOM 713 CA VAL A 47 7.082 -5.170 -4.140 1.00 0.28 C ATOM 714 C VAL A 47 8.258 -5.061 -5.084 1.00 0.28 C ATOM 715 O VAL A 47 8.565 -5.997 -5.813 1.00 0.30 O ATOM 716 CB VAL A 47 7.492 -6.047 -2.937 1.00 0.41 C ATOM 717 CG1 VAL A 47 8.730 -5.479 -2.245 1.00 1.14 C ATOM 718 CG2 VAL A 47 6.342 -6.178 -1.953 1.00 1.05 C ATOM 0 H VAL A 47 5.785 -6.698 -4.718 1.00 0.25 H new ATOM 0 HA VAL A 47 6.802 -4.184 -3.768 1.00 0.28 H new ATOM 0 HB VAL A 47 7.739 -7.040 -3.311 1.00 0.41 H new ATOM 0 HG11 VAL A 47 8.999 -6.114 -1.401 1.00 1.14 H new ATOM 0 HG12 VAL A 47 9.559 -5.445 -2.952 1.00 1.14 H new ATOM 0 HG13 VAL A 47 8.517 -4.472 -1.887 1.00 1.14 H new ATOM 0 HG21 VAL A 47 6.651 -6.800 -1.113 1.00 1.05 H new ATOM 0 HG22 VAL A 47 6.060 -5.190 -1.589 1.00 1.05 H new ATOM 0 HG23 VAL A 47 5.488 -6.639 -2.450 1.00 1.05 H new ATOM 728 N THR A 48 8.880 -3.904 -5.095 1.00 0.30 N ATOM 729 CA THR A 48 10.059 -3.684 -5.889 1.00 0.31 C ATOM 730 C THR A 48 11.202 -3.242 -5.000 1.00 0.34 C ATOM 731 O THR A 48 11.141 -2.174 -4.377 1.00 0.37 O ATOM 732 CB THR A 48 9.809 -2.631 -6.981 1.00 0.36 C ATOM 733 OG1 THR A 48 8.652 -3.000 -7.736 1.00 0.41 O ATOM 734 CG2 THR A 48 11.014 -2.509 -7.905 1.00 0.41 C ATOM 0 H THR A 48 8.581 -3.093 -4.554 1.00 0.30 H new ATOM 0 HA THR A 48 10.318 -4.623 -6.378 1.00 0.31 H new ATOM 0 HB THR A 48 9.647 -1.664 -6.505 1.00 0.36 H new ATOM 0 HG1 THR A 48 7.921 -2.378 -7.539 1.00 0.41 H new ATOM 0 HG21 THR A 48 10.812 -1.758 -8.669 1.00 0.41 H new ATOM 0 HG22 THR A 48 11.888 -2.212 -7.326 1.00 0.41 H new ATOM 0 HG23 THR A 48 11.205 -3.470 -8.383 1.00 0.41 H new ATOM 742 N ASN A 49 12.216 -4.089 -4.907 1.00 0.38 N ATOM 743 CA ASN A 49 13.407 -3.764 -4.149 1.00 0.44 C ATOM 744 C ASN A 49 14.453 -3.185 -5.087 1.00 0.42 C ATOM 745 O ASN A 49 14.517 -3.577 -6.247 1.00 0.46 O ATOM 746 CB ASN A 49 13.962 -5.007 -3.438 1.00 0.59 C ATOM 747 CG ASN A 49 14.383 -6.129 -4.380 1.00 0.73 C ATOM 748 OD1 ASN A 49 13.845 -6.288 -5.472 1.00 1.48 O ATOM 749 ND2 ASN A 49 15.348 -6.931 -3.954 1.00 0.76 N ATOM 0 H ASN A 49 12.234 -5.008 -5.349 1.00 0.38 H new ATOM 0 HA ASN A 49 13.151 -3.029 -3.386 1.00 0.44 H new ATOM 0 HB2 ASN A 49 14.821 -4.713 -2.834 1.00 0.59 H new ATOM 0 HB3 ASN A 49 13.205 -5.388 -2.752 1.00 0.59 H new ATOM 0 HD21 ASN A 49 15.663 -7.706 -4.538 1.00 0.76 H new ATOM 0 HD22 ASN A 49 15.776 -6.774 -3.042 1.00 0.76 H new ATOM 756 N PRO A 50 15.273 -2.235 -4.608 1.00 0.46 N ATOM 757 CA PRO A 50 16.309 -1.594 -5.414 1.00 0.51 C ATOM 758 C PRO A 50 17.675 -2.266 -5.277 1.00 0.53 C ATOM 759 O PRO A 50 18.679 -1.763 -5.781 1.00 0.65 O ATOM 760 CB PRO A 50 16.350 -0.201 -4.805 1.00 0.64 C ATOM 761 CG PRO A 50 16.094 -0.428 -3.351 1.00 0.73 C ATOM 762 CD PRO A 50 15.234 -1.670 -3.246 1.00 0.55 C ATOM 0 HA PRO A 50 16.092 -1.632 -6.482 1.00 0.51 H new ATOM 0 HB2 PRO A 50 17.316 0.277 -4.969 1.00 0.64 H new ATOM 0 HB3 PRO A 50 15.594 0.449 -5.246 1.00 0.64 H new ATOM 0 HG2 PRO A 50 17.031 -0.560 -2.810 1.00 0.73 H new ATOM 0 HG3 PRO A 50 15.588 0.431 -2.909 1.00 0.73 H new ATOM 0 HD2 PRO A 50 15.629 -2.370 -2.510 1.00 0.55 H new ATOM 0 HD3 PRO A 50 14.216 -1.428 -2.941 1.00 0.55 H new ATOM 770 N TYR A 51 17.706 -3.406 -4.605 1.00 0.53 N ATOM 771 CA TYR A 51 18.958 -4.074 -4.305 1.00 0.68 C ATOM 772 C TYR A 51 18.997 -5.435 -4.986 1.00 0.88 C ATOM 773 O TYR A 51 18.066 -6.231 -4.858 1.00 1.88 O ATOM 774 CB TYR A 51 19.131 -4.222 -2.792 1.00 0.74 C ATOM 775 CG TYR A 51 20.577 -4.297 -2.360 1.00 0.88 C ATOM 776 CD1 TYR A 51 21.264 -5.501 -2.357 1.00 1.06 C ATOM 777 CD2 TYR A 51 21.258 -3.152 -1.966 1.00 1.22 C ATOM 778 CE1 TYR A 51 22.589 -5.563 -1.973 1.00 1.36 C ATOM 779 CE2 TYR A 51 22.584 -3.206 -1.584 1.00 1.63 C ATOM 780 CZ TYR A 51 23.244 -4.414 -1.588 1.00 1.64 C ATOM 781 OH TYR A 51 24.565 -4.477 -1.215 1.00 2.08 O ATOM 0 H TYR A 51 16.876 -3.887 -4.258 1.00 0.53 H new ATOM 0 HA TYR A 51 19.782 -3.471 -4.686 1.00 0.68 H new ATOM 0 HB2 TYR A 51 18.654 -3.378 -2.294 1.00 0.74 H new ATOM 0 HB3 TYR A 51 18.613 -5.122 -2.460 1.00 0.74 H new ATOM 0 HD1 TYR A 51 20.755 -6.404 -2.660 1.00 1.06 H new ATOM 0 HD2 TYR A 51 20.742 -2.203 -1.958 1.00 1.22 H new ATOM 0 HE1 TYR A 51 23.110 -6.509 -1.975 1.00 1.36 H new ATOM 0 HE2 TYR A 51 23.100 -2.306 -1.284 1.00 1.63 H new ATOM 0 HH TYR A 51 24.880 -3.581 -0.973 1.00 2.08 H new ATOM 791 N SER A 52 20.101 -5.722 -5.659 1.00 0.69 N ATOM 792 CA SER A 52 20.188 -6.877 -6.546 1.00 0.66 C ATOM 793 C SER A 52 20.617 -8.123 -5.769 1.00 0.65 C ATOM 794 O SER A 52 21.468 -8.892 -6.210 1.00 0.77 O ATOM 795 CB SER A 52 21.180 -6.568 -7.674 1.00 0.80 C ATOM 796 OG SER A 52 21.278 -7.636 -8.598 1.00 1.51 O ATOM 0 H SER A 52 20.956 -5.168 -5.608 1.00 0.69 H new ATOM 0 HA SER A 52 19.207 -7.079 -6.976 1.00 0.66 H new ATOM 0 HB2 SER A 52 20.866 -5.664 -8.196 1.00 0.80 H new ATOM 0 HB3 SER A 52 22.163 -6.365 -7.248 1.00 0.80 H new ATOM 0 HG SER A 52 21.415 -8.477 -8.113 1.00 1.51 H new ATOM 802 N HIS A 53 20.018 -8.328 -4.606 1.00 0.58 N ATOM 803 CA HIS A 53 20.371 -9.485 -3.775 1.00 0.66 C ATOM 804 C HIS A 53 19.177 -10.086 -3.028 1.00 0.65 C ATOM 805 O HIS A 53 19.381 -10.852 -2.090 1.00 1.08 O ATOM 806 CB HIS A 53 21.462 -9.119 -2.763 1.00 0.74 C ATOM 807 CG HIS A 53 22.849 -9.053 -3.337 1.00 0.95 C ATOM 808 ND1 HIS A 53 23.433 -7.877 -3.761 1.00 1.06 N ATOM 809 CD2 HIS A 53 23.775 -10.021 -3.543 1.00 1.41 C ATOM 810 CE1 HIS A 53 24.652 -8.125 -4.203 1.00 1.43 C ATOM 811 NE2 HIS A 53 24.883 -9.413 -4.082 1.00 1.67 N ATOM 0 H HIS A 53 19.296 -7.723 -4.215 1.00 0.58 H new ATOM 0 HA HIS A 53 20.738 -10.241 -4.469 1.00 0.66 H new ATOM 0 HB2 HIS A 53 21.220 -8.153 -2.320 1.00 0.74 H new ATOM 0 HB3 HIS A 53 21.451 -9.851 -1.956 1.00 0.74 H new ATOM 0 HD1 HIS A 53 22.991 -6.958 -3.737 1.00 1.06 H new ATOM 0 HD2 HIS A 53 23.663 -11.073 -3.325 1.00 1.41 H new ATOM 0 HE1 HIS A 53 25.342 -7.394 -4.597 1.00 1.43 H new ATOM 820 N SER A 54 17.947 -9.761 -3.447 1.00 0.55 N ATOM 821 CA SER A 54 16.744 -10.333 -2.832 1.00 0.51 C ATOM 822 C SER A 54 16.635 -9.972 -1.347 1.00 0.47 C ATOM 823 O SER A 54 17.187 -10.657 -0.506 1.00 0.51 O ATOM 824 CB SER A 54 16.744 -11.862 -3.003 1.00 0.61 C ATOM 825 OG SER A 54 15.536 -12.445 -2.538 1.00 1.39 O ATOM 0 H SER A 54 17.760 -9.107 -4.207 1.00 0.55 H new ATOM 0 HA SER A 54 15.878 -9.907 -3.339 1.00 0.51 H new ATOM 0 HB2 SER A 54 16.886 -12.110 -4.055 1.00 0.61 H new ATOM 0 HB3 SER A 54 17.586 -12.289 -2.459 1.00 0.61 H new ATOM 0 HG SER A 54 15.572 -13.416 -2.664 1.00 1.39 H new ATOM 831 N ILE A 55 15.850 -8.956 -1.013 1.00 0.44 N ATOM 832 CA ILE A 55 15.853 -8.425 0.351 1.00 0.49 C ATOM 833 C ILE A 55 15.046 -9.296 1.273 1.00 0.58 C ATOM 834 O ILE A 55 13.889 -9.537 1.027 1.00 1.03 O ATOM 835 CB ILE A 55 15.251 -7.028 0.430 1.00 0.49 C ATOM 836 CG1 ILE A 55 13.970 -6.952 -0.393 1.00 0.47 C ATOM 837 CG2 ILE A 55 16.265 -5.996 -0.017 1.00 0.48 C ATOM 838 CD1 ILE A 55 13.244 -5.638 -0.261 1.00 0.56 C ATOM 0 H ILE A 55 15.211 -8.486 -1.654 1.00 0.44 H new ATOM 0 HA ILE A 55 16.901 -8.397 0.650 1.00 0.49 H new ATOM 0 HB ILE A 55 14.989 -6.811 1.466 1.00 0.49 H new ATOM 0 HG12 ILE A 55 14.212 -7.120 -1.442 1.00 0.47 H new ATOM 0 HG13 ILE A 55 13.303 -7.758 -0.087 1.00 0.47 H new ATOM 0 HG21 ILE A 55 15.823 -5.001 0.044 1.00 0.48 H new ATOM 0 HG22 ILE A 55 17.142 -6.044 0.629 1.00 0.48 H new ATOM 0 HG23 ILE A 55 16.561 -6.199 -1.046 1.00 0.48 H new ATOM 0 HD11 ILE A 55 12.343 -5.657 -0.874 1.00 0.56 H new ATOM 0 HD12 ILE A 55 12.970 -5.477 0.782 1.00 0.56 H new ATOM 0 HD13 ILE A 55 13.893 -4.829 -0.595 1.00 0.56 H new ATOM 850 N PRO A 56 15.623 -9.688 2.398 1.00 0.35 N ATOM 851 CA PRO A 56 15.103 -10.790 3.182 1.00 0.34 C ATOM 852 C PRO A 56 13.743 -10.498 3.792 1.00 0.30 C ATOM 853 O PRO A 56 12.775 -11.217 3.549 1.00 0.32 O ATOM 854 CB PRO A 56 16.140 -10.987 4.279 1.00 0.37 C ATOM 855 CG PRO A 56 16.895 -9.704 4.369 1.00 0.35 C ATOM 856 CD PRO A 56 16.767 -9.022 3.035 1.00 0.35 C ATOM 0 HA PRO A 56 14.948 -11.672 2.560 1.00 0.34 H new ATOM 0 HB2 PRO A 56 15.662 -11.225 5.229 1.00 0.37 H new ATOM 0 HB3 PRO A 56 16.807 -11.816 4.041 1.00 0.37 H new ATOM 0 HG2 PRO A 56 16.493 -9.075 5.163 1.00 0.35 H new ATOM 0 HG3 PRO A 56 17.942 -9.889 4.608 1.00 0.35 H new ATOM 0 HD2 PRO A 56 16.592 -7.952 3.150 1.00 0.35 H new ATOM 0 HD3 PRO A 56 17.674 -9.134 2.442 1.00 0.35 H new ATOM 864 N ILE A 57 13.673 -9.462 4.602 1.00 0.29 N ATOM 865 CA ILE A 57 12.455 -9.199 5.350 1.00 0.30 C ATOM 866 C ILE A 57 11.910 -7.817 5.025 1.00 0.27 C ATOM 867 O ILE A 57 12.662 -6.935 4.617 1.00 0.30 O ATOM 868 CB ILE A 57 12.739 -9.351 6.862 1.00 0.38 C ATOM 869 CG1 ILE A 57 13.299 -10.757 7.130 1.00 0.58 C ATOM 870 CG2 ILE A 57 11.489 -9.096 7.695 1.00 0.38 C ATOM 871 CD1 ILE A 57 12.249 -11.852 7.151 1.00 1.23 C ATOM 0 H ILE A 57 14.430 -8.797 4.760 1.00 0.29 H new ATOM 0 HA ILE A 57 11.692 -9.923 5.063 1.00 0.30 H new ATOM 0 HB ILE A 57 13.475 -8.604 7.158 1.00 0.38 H new ATOM 0 HG12 ILE A 57 14.038 -10.993 6.365 1.00 0.58 H new ATOM 0 HG13 ILE A 57 13.821 -10.751 8.087 1.00 0.58 H new ATOM 0 HG21 ILE A 57 11.727 -9.212 8.752 1.00 0.38 H new ATOM 0 HG22 ILE A 57 11.130 -8.083 7.512 1.00 0.38 H new ATOM 0 HG23 ILE A 57 10.714 -9.811 7.417 1.00 0.38 H new ATOM 0 HD11 ILE A 57 12.728 -12.812 7.346 1.00 1.23 H new ATOM 0 HD12 ILE A 57 11.521 -11.643 7.935 1.00 1.23 H new ATOM 0 HD13 ILE A 57 11.742 -11.889 6.187 1.00 1.23 H new ATOM 883 N CYS A 58 10.599 -7.642 5.142 1.00 0.26 N ATOM 884 CA CYS A 58 9.987 -6.363 4.835 1.00 0.24 C ATOM 885 C CYS A 58 8.761 -6.095 5.701 1.00 0.23 C ATOM 886 O CYS A 58 8.362 -6.901 6.534 1.00 0.25 O ATOM 887 CB CYS A 58 9.563 -6.301 3.371 1.00 0.26 C ATOM 888 SG CYS A 58 10.796 -6.921 2.200 1.00 1.15 S ATOM 0 H CYS A 58 9.947 -8.366 5.445 1.00 0.26 H new ATOM 0 HA CYS A 58 10.741 -5.603 5.041 1.00 0.24 H new ATOM 0 HB2 CYS A 58 8.644 -6.875 3.248 1.00 0.26 H new ATOM 0 HB3 CYS A 58 9.329 -5.267 3.118 1.00 0.26 H new ATOM 0 HG CYS A 58 11.954 -6.993 2.786 1.00 1.15 H new ATOM 894 N GLU A 59 8.203 -4.928 5.475 1.00 0.25 N ATOM 895 CA GLU A 59 6.999 -4.494 6.144 1.00 0.27 C ATOM 896 C GLU A 59 6.052 -3.834 5.163 1.00 0.29 C ATOM 897 O GLU A 59 6.383 -2.820 4.553 1.00 0.32 O ATOM 898 CB GLU A 59 7.345 -3.521 7.270 1.00 0.32 C ATOM 899 CG GLU A 59 6.134 -2.958 7.997 1.00 0.39 C ATOM 900 CD GLU A 59 6.508 -1.835 8.940 1.00 0.67 C ATOM 901 OE1 GLU A 59 6.700 -0.697 8.465 1.00 1.04 O ATOM 902 OE2 GLU A 59 6.622 -2.084 10.157 1.00 1.36 O ATOM 0 H GLU A 59 8.576 -4.246 4.814 1.00 0.25 H new ATOM 0 HA GLU A 59 6.506 -5.369 6.568 1.00 0.27 H new ATOM 0 HB2 GLU A 59 7.985 -4.029 7.991 1.00 0.32 H new ATOM 0 HB3 GLU A 59 7.924 -2.695 6.857 1.00 0.32 H new ATOM 0 HG2 GLU A 59 5.411 -2.593 7.268 1.00 0.39 H new ATOM 0 HG3 GLU A 59 5.646 -3.755 8.558 1.00 0.39 H new ATOM 909 N ILE A 60 4.890 -4.433 5.005 1.00 0.32 N ATOM 910 CA ILE A 60 3.824 -3.792 4.267 1.00 0.34 C ATOM 911 C ILE A 60 2.862 -3.125 5.238 1.00 0.31 C ATOM 912 O ILE A 60 2.142 -3.781 5.991 1.00 0.36 O ATOM 913 CB ILE A 60 3.065 -4.743 3.298 1.00 0.48 C ATOM 914 CG1 ILE A 60 3.440 -6.212 3.509 1.00 0.33 C ATOM 915 CG2 ILE A 60 3.333 -4.350 1.855 1.00 0.99 C ATOM 916 CD1 ILE A 60 2.616 -6.907 4.562 1.00 1.05 C ATOM 0 H ILE A 60 4.661 -5.356 5.375 1.00 0.32 H new ATOM 0 HA ILE A 60 4.290 -3.043 3.627 1.00 0.34 H new ATOM 0 HB ILE A 60 2.003 -4.638 3.519 1.00 0.48 H new ATOM 0 HG12 ILE A 60 3.329 -6.745 2.564 1.00 0.33 H new ATOM 0 HG13 ILE A 60 4.492 -6.272 3.787 1.00 0.33 H new ATOM 0 HG21 ILE A 60 2.795 -5.024 1.188 1.00 0.99 H new ATOM 0 HG22 ILE A 60 2.994 -3.328 1.687 1.00 0.99 H new ATOM 0 HG23 ILE A 60 4.402 -4.416 1.653 1.00 0.99 H new ATOM 0 HD11 ILE A 60 2.941 -7.943 4.653 1.00 1.05 H new ATOM 0 HD12 ILE A 60 2.746 -6.401 5.518 1.00 1.05 H new ATOM 0 HD13 ILE A 60 1.564 -6.880 4.277 1.00 1.05 H new ATOM 928 N SER A 61 2.905 -1.805 5.226 1.00 0.26 N ATOM 929 CA SER A 61 2.070 -1.001 6.095 1.00 0.25 C ATOM 930 C SER A 61 1.131 -0.156 5.262 1.00 0.24 C ATOM 931 O SER A 61 1.521 0.873 4.733 1.00 0.24 O ATOM 932 CB SER A 61 2.936 -0.131 7.009 1.00 0.29 C ATOM 933 OG SER A 61 3.946 0.547 6.288 1.00 0.83 O ATOM 0 H SER A 61 3.517 -1.264 4.616 1.00 0.26 H new ATOM 0 HA SER A 61 1.472 -1.656 6.729 1.00 0.25 H new ATOM 0 HB2 SER A 61 2.306 0.596 7.522 1.00 0.29 H new ATOM 0 HB3 SER A 61 3.394 -0.755 7.777 1.00 0.29 H new ATOM 0 HG SER A 61 4.385 -0.078 5.673 1.00 0.83 H new ATOM 939 N PHE A 62 -0.117 -0.571 5.167 1.00 0.24 N ATOM 940 CA PHE A 62 -1.035 0.020 4.213 1.00 0.25 C ATOM 941 C PHE A 62 -2.089 0.839 4.930 1.00 0.26 C ATOM 942 O PHE A 62 -2.732 0.366 5.856 1.00 0.30 O ATOM 943 CB PHE A 62 -1.693 -1.079 3.359 1.00 0.27 C ATOM 944 CG PHE A 62 -2.037 -2.325 4.133 1.00 0.29 C ATOM 945 CD1 PHE A 62 -3.272 -2.461 4.750 1.00 0.31 C ATOM 946 CD2 PHE A 62 -1.119 -3.357 4.248 1.00 0.34 C ATOM 947 CE1 PHE A 62 -3.582 -3.602 5.465 1.00 0.37 C ATOM 948 CE2 PHE A 62 -1.424 -4.501 4.961 1.00 0.40 C ATOM 949 CZ PHE A 62 -2.656 -4.623 5.571 1.00 0.40 C ATOM 0 H PHE A 62 -0.518 -1.315 5.738 1.00 0.24 H new ATOM 0 HA PHE A 62 -0.475 0.684 3.554 1.00 0.25 H new ATOM 0 HB2 PHE A 62 -2.601 -0.680 2.907 1.00 0.27 H new ATOM 0 HB3 PHE A 62 -1.021 -1.343 2.543 1.00 0.27 H new ATOM 0 HD1 PHE A 62 -3.999 -1.666 4.671 1.00 0.31 H new ATOM 0 HD2 PHE A 62 -0.153 -3.266 3.774 1.00 0.34 H new ATOM 0 HE1 PHE A 62 -4.547 -3.696 5.941 1.00 0.37 H new ATOM 0 HE2 PHE A 62 -0.700 -5.298 5.041 1.00 0.40 H new ATOM 0 HZ PHE A 62 -2.896 -5.515 6.130 1.00 0.40 H new ATOM 959 N THR A 63 -2.221 2.079 4.516 1.00 0.25 N ATOM 960 CA THR A 63 -3.225 2.969 5.056 1.00 0.27 C ATOM 961 C THR A 63 -4.142 3.433 3.934 1.00 0.25 C ATOM 962 O THR A 63 -3.762 4.255 3.106 1.00 0.27 O ATOM 963 CB THR A 63 -2.578 4.189 5.739 1.00 0.32 C ATOM 964 OG1 THR A 63 -1.500 3.758 6.577 1.00 0.36 O ATOM 965 CG2 THR A 63 -3.598 4.950 6.573 1.00 0.38 C ATOM 0 H THR A 63 -1.635 2.500 3.795 1.00 0.25 H new ATOM 0 HA THR A 63 -3.800 2.427 5.807 1.00 0.27 H new ATOM 0 HB THR A 63 -2.199 4.855 4.964 1.00 0.32 H new ATOM 0 HG1 THR A 63 -1.090 4.536 7.008 1.00 0.36 H new ATOM 0 HG21 THR A 63 -3.116 5.806 7.045 1.00 0.38 H new ATOM 0 HG22 THR A 63 -4.407 5.297 5.930 1.00 0.38 H new ATOM 0 HG23 THR A 63 -4.002 4.292 7.342 1.00 0.38 H new ATOM 973 N PHE A 64 -5.338 2.893 3.900 1.00 0.24 N ATOM 974 CA PHE A 64 -6.265 3.164 2.826 1.00 0.24 C ATOM 975 C PHE A 64 -7.278 4.232 3.227 1.00 0.22 C ATOM 976 O PHE A 64 -7.726 4.278 4.367 1.00 0.23 O ATOM 977 CB PHE A 64 -6.983 1.890 2.422 1.00 0.27 C ATOM 978 CG PHE A 64 -6.117 0.909 1.691 1.00 0.43 C ATOM 979 CD1 PHE A 64 -6.003 0.968 0.312 1.00 0.58 C ATOM 980 CD2 PHE A 64 -5.388 -0.048 2.383 1.00 0.65 C ATOM 981 CE1 PHE A 64 -5.178 0.097 -0.365 1.00 0.84 C ATOM 982 CE2 PHE A 64 -4.568 -0.925 1.707 1.00 0.90 C ATOM 983 CZ PHE A 64 -4.574 -0.959 0.347 1.00 0.96 C ATOM 0 H PHE A 64 -5.695 2.256 4.613 1.00 0.24 H new ATOM 0 HA PHE A 64 -5.696 3.540 1.976 1.00 0.24 H new ATOM 0 HB2 PHE A 64 -7.383 1.411 3.316 1.00 0.27 H new ATOM 0 HB3 PHE A 64 -7.834 2.149 1.792 1.00 0.27 H new ATOM 0 HD1 PHE A 64 -6.568 1.706 -0.239 1.00 0.58 H new ATOM 0 HD2 PHE A 64 -5.464 -0.106 3.459 1.00 0.65 H new ATOM 0 HE1 PHE A 64 -4.997 0.221 -1.423 1.00 0.84 H new ATOM 0 HE2 PHE A 64 -3.918 -1.588 2.259 1.00 0.90 H new ATOM 0 HZ PHE A 64 -4.121 -1.785 -0.181 1.00 0.96 H new ATOM 993 N HIS A 65 -7.596 5.110 2.288 1.00 0.24 N ATOM 994 CA HIS A 65 -8.613 6.151 2.464 1.00 0.26 C ATOM 995 C HIS A 65 -9.481 6.176 1.221 1.00 0.24 C ATOM 996 O HIS A 65 -8.984 5.928 0.136 1.00 0.36 O ATOM 997 CB HIS A 65 -7.976 7.534 2.647 1.00 0.42 C ATOM 998 CG HIS A 65 -7.131 7.705 3.880 1.00 0.51 C ATOM 999 ND1 HIS A 65 -7.199 8.831 4.673 1.00 1.02 N ATOM 1000 CD2 HIS A 65 -6.182 6.913 4.440 1.00 0.53 C ATOM 1001 CE1 HIS A 65 -6.339 8.722 5.667 1.00 1.29 C ATOM 1002 NE2 HIS A 65 -5.710 7.571 5.549 1.00 1.02 N ATOM 0 H HIS A 65 -7.153 5.125 1.369 1.00 0.24 H new ATOM 0 HA HIS A 65 -9.197 5.925 3.356 1.00 0.26 H new ATOM 0 HB2 HIS A 65 -7.360 7.748 1.774 1.00 0.42 H new ATOM 0 HB3 HIS A 65 -8.771 8.280 2.667 1.00 0.42 H new ATOM 0 HD1 HIS A 65 -7.819 9.626 4.515 1.00 1.02 H new ATOM 0 HD2 HIS A 65 -5.859 5.947 4.081 1.00 0.53 H new ATOM 0 HE1 HIS A 65 -6.178 9.453 6.446 1.00 1.29 H new ATOM 1011 N SER A 66 -10.773 6.424 1.362 1.00 0.22 N ATOM 1012 CA SER A 66 -11.623 6.502 0.186 1.00 0.25 C ATOM 1013 C SER A 66 -12.038 7.933 -0.096 1.00 0.24 C ATOM 1014 O SER A 66 -11.238 8.708 -0.614 1.00 0.30 O ATOM 1015 CB SER A 66 -12.854 5.615 0.328 1.00 0.38 C ATOM 1016 OG SER A 66 -13.640 5.631 -0.850 1.00 1.27 O ATOM 0 H SER A 66 -11.246 6.571 2.254 1.00 0.22 H new ATOM 0 HA SER A 66 -11.038 6.139 -0.659 1.00 0.25 H new ATOM 0 HB2 SER A 66 -12.545 4.593 0.547 1.00 0.38 H new ATOM 0 HB3 SER A 66 -13.454 5.955 1.172 1.00 0.38 H new ATOM 0 HG SER A 66 -13.569 4.765 -1.303 1.00 1.27 H new ATOM 1022 N ALA A 67 -13.267 8.299 0.287 1.00 0.24 N ATOM 1023 CA ALA A 67 -13.796 9.614 -0.030 1.00 0.28 C ATOM 1024 C ALA A 67 -12.878 10.672 0.544 1.00 0.30 C ATOM 1025 O ALA A 67 -12.337 11.507 -0.180 1.00 0.36 O ATOM 1026 CB ALA A 67 -15.206 9.769 0.523 1.00 0.32 C ATOM 0 H ALA A 67 -13.904 7.701 0.813 1.00 0.24 H new ATOM 0 HA ALA A 67 -13.846 9.732 -1.112 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -15.587 10.760 0.276 1.00 0.32 H new ATOM 0 HB2 ALA A 67 -15.855 9.011 0.083 1.00 0.32 H new ATOM 0 HB3 ALA A 67 -15.188 9.647 1.606 1.00 0.32 H new ATOM 1032 N GLY A 68 -12.718 10.656 1.858 1.00 0.29 N ATOM 1033 CA GLY A 68 -11.670 11.425 2.477 1.00 0.32 C ATOM 1034 C GLY A 68 -11.468 10.944 3.890 1.00 0.34 C ATOM 1035 O GLY A 68 -10.940 11.654 4.744 1.00 0.39 O ATOM 0 H GLY A 68 -13.299 10.122 2.504 1.00 0.29 H new ATOM 0 HA2 GLY A 68 -10.745 11.323 1.910 1.00 0.32 H new ATOM 0 HA3 GLY A 68 -11.930 12.484 2.475 1.00 0.32 H new ATOM 1039 N ARG A 69 -11.916 9.720 4.132 1.00 0.36 N ATOM 1040 CA ARG A 69 -11.834 9.114 5.440 1.00 0.46 C ATOM 1041 C ARG A 69 -10.932 7.903 5.356 1.00 0.52 C ATOM 1042 O ARG A 69 -10.419 7.593 4.287 1.00 1.08 O ATOM 1043 CB ARG A 69 -13.234 8.742 5.910 1.00 0.48 C ATOM 1044 CG ARG A 69 -13.986 7.871 4.922 1.00 0.47 C ATOM 1045 CD ARG A 69 -15.479 8.066 5.058 1.00 0.58 C ATOM 1046 NE ARG A 69 -15.845 9.476 4.940 1.00 0.55 N ATOM 1047 CZ ARG A 69 -16.586 10.143 5.827 1.00 1.05 C ATOM 1048 NH1 ARG A 69 -16.974 9.566 6.958 1.00 1.97 N ATOM 1049 NH2 ARG A 69 -16.903 11.403 5.595 1.00 1.04 N ATOM 0 H ARG A 69 -12.345 9.125 3.423 1.00 0.36 H new ATOM 0 HA ARG A 69 -11.412 9.809 6.166 1.00 0.46 H new ATOM 0 HB2 ARG A 69 -13.163 8.219 6.864 1.00 0.48 H new ATOM 0 HB3 ARG A 69 -13.804 9.654 6.088 1.00 0.48 H new ATOM 0 HG2 ARG A 69 -13.675 8.114 3.906 1.00 0.47 H new ATOM 0 HG3 ARG A 69 -13.735 6.824 5.090 1.00 0.47 H new ATOM 0 HD2 ARG A 69 -15.994 7.489 4.290 1.00 0.58 H new ATOM 0 HD3 ARG A 69 -15.811 7.682 6.022 1.00 0.58 H new ATOM 0 HE ARG A 69 -15.511 9.986 4.122 1.00 0.55 H new ATOM 0 HH11 ARG A 69 -16.706 8.602 7.157 1.00 1.97 H new ATOM 0 HH12 ARG A 69 -17.540 10.087 7.628 1.00 1.97 H new ATOM 0 HH21 ARG A 69 -16.582 11.861 4.742 1.00 1.04 H new ATOM 0 HH22 ARG A 69 -17.469 11.919 6.269 1.00 1.04 H new ATOM 1063 N GLU A 70 -10.788 7.183 6.442 1.00 0.52 N ATOM 1064 CA GLU A 70 -9.759 6.189 6.533 1.00 0.52 C ATOM 1065 C GLU A 70 -10.377 4.827 6.348 1.00 0.67 C ATOM 1066 O GLU A 70 -10.965 4.253 7.264 1.00 1.28 O ATOM 1067 CB GLU A 70 -9.011 6.295 7.862 1.00 0.66 C ATOM 1068 CG GLU A 70 -7.730 5.479 7.906 1.00 1.35 C ATOM 1069 CD GLU A 70 -6.819 5.901 9.040 1.00 1.91 C ATOM 1070 OE1 GLU A 70 -7.007 5.405 10.174 1.00 2.61 O ATOM 1071 OE2 GLU A 70 -5.907 6.720 8.808 1.00 2.12 O ATOM 0 H GLU A 70 -11.373 7.271 7.273 1.00 0.52 H new ATOM 0 HA GLU A 70 -9.023 6.352 5.746 1.00 0.52 H new ATOM 0 HB2 GLU A 70 -8.772 7.341 8.052 1.00 0.66 H new ATOM 0 HB3 GLU A 70 -9.669 5.967 8.667 1.00 0.66 H new ATOM 0 HG2 GLU A 70 -7.978 4.423 8.016 1.00 1.35 H new ATOM 0 HG3 GLU A 70 -7.201 5.586 6.959 1.00 1.35 H new ATOM 1078 N ILE A 71 -10.286 4.366 5.119 1.00 0.28 N ATOM 1079 CA ILE A 71 -10.773 3.068 4.715 1.00 0.28 C ATOM 1080 C ILE A 71 -10.255 1.975 5.639 1.00 0.29 C ATOM 1081 O ILE A 71 -10.998 1.092 6.048 1.00 0.33 O ATOM 1082 CB ILE A 71 -10.333 2.797 3.267 1.00 0.31 C ATOM 1083 CG1 ILE A 71 -11.294 3.441 2.284 1.00 0.37 C ATOM 1084 CG2 ILE A 71 -10.223 1.324 3.000 1.00 0.30 C ATOM 1085 CD1 ILE A 71 -12.686 2.870 2.356 1.00 0.40 C ATOM 0 H ILE A 71 -9.862 4.896 4.358 1.00 0.28 H new ATOM 0 HA ILE A 71 -11.861 3.063 4.777 1.00 0.28 H new ATOM 0 HB ILE A 71 -9.347 3.241 3.131 1.00 0.31 H new ATOM 0 HG12 ILE A 71 -11.337 4.513 2.477 1.00 0.37 H new ATOM 0 HG13 ILE A 71 -10.908 3.315 1.272 1.00 0.37 H new ATOM 0 HG21 ILE A 71 -9.910 1.164 1.968 1.00 0.30 H new ATOM 0 HG22 ILE A 71 -9.487 0.886 3.675 1.00 0.30 H new ATOM 0 HG23 ILE A 71 -11.192 0.851 3.163 1.00 0.30 H new ATOM 0 HD11 ILE A 71 -13.324 3.373 1.629 1.00 0.40 H new ATOM 0 HD12 ILE A 71 -12.654 1.803 2.134 1.00 0.40 H new ATOM 0 HD13 ILE A 71 -13.090 3.020 3.357 1.00 0.40 H new ATOM 1097 N GLY A 72 -8.988 2.067 5.983 1.00 0.29 N ATOM 1098 CA GLY A 72 -8.389 1.078 6.846 1.00 0.36 C ATOM 1099 C GLY A 72 -6.893 1.221 6.884 1.00 0.34 C ATOM 1100 O GLY A 72 -6.332 1.979 6.101 1.00 0.49 O ATOM 0 H GLY A 72 -8.359 2.811 5.680 1.00 0.29 H new ATOM 0 HA2 GLY A 72 -8.792 1.180 7.854 1.00 0.36 H new ATOM 0 HA3 GLY A 72 -8.652 0.080 6.496 1.00 0.36 H new ATOM 1104 N LYS A 73 -6.238 0.515 7.786 1.00 0.36 N ATOM 1105 CA LYS A 73 -4.790 0.509 7.817 1.00 0.35 C ATOM 1106 C LYS A 73 -4.283 -0.672 8.625 1.00 0.39 C ATOM 1107 O LYS A 73 -5.033 -1.291 9.381 1.00 0.47 O ATOM 1108 CB LYS A 73 -4.219 1.819 8.381 1.00 0.44 C ATOM 1109 CG LYS A 73 -4.330 1.963 9.888 1.00 0.61 C ATOM 1110 CD LYS A 73 -5.711 2.415 10.324 1.00 0.68 C ATOM 1111 CE LYS A 73 -5.769 2.573 11.829 1.00 1.26 C ATOM 1112 NZ LYS A 73 -5.754 1.261 12.528 1.00 1.81 N ATOM 0 H LYS A 73 -6.683 -0.058 8.503 1.00 0.36 H new ATOM 0 HA LYS A 73 -4.445 0.416 6.787 1.00 0.35 H new ATOM 0 HB2 LYS A 73 -3.169 1.893 8.099 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -4.735 2.656 7.911 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -4.097 1.008 10.360 1.00 0.61 H new ATOM 0 HG3 LYS A 73 -3.588 2.681 10.238 1.00 0.61 H new ATOM 0 HD2 LYS A 73 -5.958 3.362 9.844 1.00 0.68 H new ATOM 0 HD3 LYS A 73 -6.457 1.689 10.000 1.00 0.68 H new ATOM 0 HE2 LYS A 73 -4.922 3.172 12.164 1.00 1.26 H new ATOM 0 HE3 LYS A 73 -6.672 3.119 12.102 1.00 1.26 H new ATOM 0 HZ1 LYS A 73 -5.914 1.408 13.545 1.00 1.81 H new ATOM 0 HZ2 LYS A 73 -6.506 0.654 12.143 1.00 1.81 H new ATOM 0 HZ3 LYS A 73 -4.832 0.802 12.385 1.00 1.81 H new ATOM 1126 N GLY A 74 -3.011 -0.978 8.456 1.00 0.39 N ATOM 1127 CA GLY A 74 -2.405 -2.088 9.151 1.00 0.43 C ATOM 1128 C GLY A 74 -0.958 -2.248 8.766 1.00 0.34 C ATOM 1129 O GLY A 74 -0.533 -1.752 7.720 1.00 0.32 O ATOM 0 H GLY A 74 -2.378 -0.468 7.840 1.00 0.39 H new ATOM 0 HA2 GLY A 74 -2.483 -1.933 10.227 1.00 0.43 H new ATOM 0 HA3 GLY A 74 -2.948 -3.005 8.921 1.00 0.43 H new ATOM 1133 N LYS A 75 -0.197 -2.928 9.602 1.00 0.37 N ATOM 1134 CA LYS A 75 1.216 -3.135 9.351 1.00 0.37 C ATOM 1135 C LYS A 75 1.582 -4.591 9.578 1.00 0.39 C ATOM 1136 O LYS A 75 1.263 -5.160 10.621 1.00 0.50 O ATOM 1137 CB LYS A 75 2.063 -2.235 10.253 1.00 0.56 C ATOM 1138 CG LYS A 75 1.871 -0.755 9.979 1.00 0.84 C ATOM 1139 CD LYS A 75 2.814 0.098 10.805 1.00 0.90 C ATOM 1140 CE LYS A 75 2.790 1.546 10.348 1.00 1.17 C ATOM 1141 NZ LYS A 75 3.552 2.426 11.271 1.00 1.72 N ATOM 0 H LYS A 75 -0.537 -3.349 10.467 1.00 0.37 H new ATOM 0 HA LYS A 75 1.421 -2.875 8.312 1.00 0.37 H new ATOM 0 HB2 LYS A 75 1.814 -2.439 11.294 1.00 0.56 H new ATOM 0 HB3 LYS A 75 3.115 -2.488 10.121 1.00 0.56 H new ATOM 0 HG2 LYS A 75 2.036 -0.557 8.920 1.00 0.84 H new ATOM 0 HG3 LYS A 75 0.841 -0.475 10.199 1.00 0.84 H new ATOM 0 HD2 LYS A 75 2.533 0.041 11.857 1.00 0.90 H new ATOM 0 HD3 LYS A 75 3.828 -0.294 10.725 1.00 0.90 H new ATOM 0 HE2 LYS A 75 3.212 1.618 9.345 1.00 1.17 H new ATOM 0 HE3 LYS A 75 1.758 1.891 10.285 1.00 1.17 H new ATOM 0 HZ1 LYS A 75 3.513 3.407 10.927 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 3.134 2.376 12.222 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 4.543 2.112 11.311 1.00 1.72 H new ATOM 1155 N ILE A 76 2.240 -5.191 8.599 1.00 0.35 N ATOM 1156 CA ILE A 76 2.612 -6.592 8.677 1.00 0.39 C ATOM 1157 C ILE A 76 4.064 -6.778 8.240 1.00 0.34 C ATOM 1158 O ILE A 76 4.406 -6.552 7.078 1.00 0.35 O ATOM 1159 CB ILE A 76 1.698 -7.473 7.790 1.00 0.45 C ATOM 1160 CG1 ILE A 76 0.227 -7.311 8.190 1.00 0.51 C ATOM 1161 CG2 ILE A 76 2.117 -8.936 7.879 1.00 0.56 C ATOM 1162 CD1 ILE A 76 -0.737 -8.070 7.298 1.00 0.73 C ATOM 0 H ILE A 76 2.528 -4.726 7.738 1.00 0.35 H new ATOM 0 HA ILE A 76 2.494 -6.904 9.715 1.00 0.39 H new ATOM 0 HB ILE A 76 1.807 -7.143 6.757 1.00 0.45 H new ATOM 0 HG12 ILE A 76 0.100 -7.650 9.218 1.00 0.51 H new ATOM 0 HG13 ILE A 76 -0.031 -6.252 8.170 1.00 0.51 H new ATOM 0 HG21 ILE A 76 1.464 -9.540 7.250 1.00 0.56 H new ATOM 0 HG22 ILE A 76 3.147 -9.041 7.539 1.00 0.56 H new ATOM 0 HG23 ILE A 76 2.040 -9.274 8.912 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -1.758 -7.907 7.644 1.00 0.73 H new ATOM 0 HD12 ILE A 76 -0.640 -7.715 6.272 1.00 0.73 H new ATOM 0 HD13 ILE A 76 -0.507 -9.135 7.337 1.00 0.73 H new ATOM 1174 N PRO A 77 4.946 -7.140 9.175 1.00 0.34 N ATOM 1175 CA PRO A 77 6.320 -7.506 8.856 1.00 0.32 C ATOM 1176 C PRO A 77 6.371 -8.891 8.217 1.00 0.33 C ATOM 1177 O PRO A 77 6.101 -9.899 8.873 1.00 0.44 O ATOM 1178 CB PRO A 77 7.032 -7.509 10.217 1.00 0.40 C ATOM 1179 CG PRO A 77 6.050 -6.945 11.193 1.00 0.57 C ATOM 1180 CD PRO A 77 4.691 -7.205 10.615 1.00 0.42 C ATOM 0 HA PRO A 77 6.783 -6.823 8.144 1.00 0.32 H new ATOM 0 HB2 PRO A 77 7.329 -8.519 10.501 1.00 0.40 H new ATOM 0 HB3 PRO A 77 7.940 -6.907 10.184 1.00 0.40 H new ATOM 0 HG2 PRO A 77 6.155 -7.419 12.169 1.00 0.57 H new ATOM 0 HG3 PRO A 77 6.214 -5.877 11.338 1.00 0.57 H new ATOM 0 HD2 PRO A 77 4.301 -8.177 10.915 1.00 0.42 H new ATOM 0 HD3 PRO A 77 3.964 -6.458 10.933 1.00 0.42 H new ATOM 1188 N ASP A 78 6.706 -8.944 6.941 1.00 0.30 N ATOM 1189 CA ASP A 78 6.642 -10.188 6.189 1.00 0.35 C ATOM 1190 C ASP A 78 7.948 -10.401 5.435 1.00 0.32 C ATOM 1191 O ASP A 78 8.556 -9.436 4.977 1.00 0.28 O ATOM 1192 CB ASP A 78 5.458 -10.138 5.217 1.00 0.39 C ATOM 1193 CG ASP A 78 5.071 -11.505 4.689 1.00 0.52 C ATOM 1194 OD1 ASP A 78 4.674 -12.365 5.505 1.00 0.79 O ATOM 1195 OD2 ASP A 78 5.137 -11.720 3.462 1.00 0.52 O ATOM 0 H ASP A 78 7.026 -8.140 6.401 1.00 0.30 H new ATOM 0 HA ASP A 78 6.498 -11.024 6.874 1.00 0.35 H new ATOM 0 HB2 ASP A 78 4.600 -9.692 5.720 1.00 0.39 H new ATOM 0 HB3 ASP A 78 5.710 -9.488 4.379 1.00 0.39 H new ATOM 1200 N PRO A 79 8.428 -11.652 5.334 1.00 0.39 N ATOM 1201 CA PRO A 79 9.654 -11.969 4.595 1.00 0.40 C ATOM 1202 C PRO A 79 9.527 -11.669 3.102 1.00 0.38 C ATOM 1203 O PRO A 79 9.224 -12.555 2.300 1.00 0.47 O ATOM 1204 CB PRO A 79 9.854 -13.471 4.835 1.00 0.52 C ATOM 1205 CG PRO A 79 8.510 -13.984 5.236 1.00 0.58 C ATOM 1206 CD PRO A 79 7.829 -12.850 5.947 1.00 0.49 C ATOM 0 HA PRO A 79 10.496 -11.365 4.933 1.00 0.40 H new ATOM 0 HB2 PRO A 79 10.214 -13.969 3.935 1.00 0.52 H new ATOM 0 HB3 PRO A 79 10.593 -13.650 5.616 1.00 0.52 H new ATOM 0 HG2 PRO A 79 7.936 -14.298 4.364 1.00 0.58 H new ATOM 0 HG3 PRO A 79 8.603 -14.853 5.887 1.00 0.58 H new ATOM 0 HD2 PRO A 79 6.749 -12.877 5.804 1.00 0.49 H new ATOM 0 HD3 PRO A 79 8.009 -12.884 7.022 1.00 0.49 H new ATOM 1214 N GLY A 80 9.773 -10.414 2.741 1.00 0.34 N ATOM 1215 CA GLY A 80 9.644 -9.984 1.365 1.00 0.40 C ATOM 1216 C GLY A 80 10.920 -10.185 0.584 1.00 0.35 C ATOM 1217 O GLY A 80 11.319 -9.333 -0.200 1.00 0.40 O ATOM 0 H GLY A 80 10.063 -9.680 3.388 1.00 0.34 H new ATOM 0 HA2 GLY A 80 8.836 -10.538 0.887 1.00 0.40 H new ATOM 0 HA3 GLY A 80 9.366 -8.930 1.340 1.00 0.40 H new ATOM 1221 N SER A 81 11.549 -11.323 0.813 1.00 0.34 N ATOM 1222 CA SER A 81 12.754 -11.707 0.113 1.00 0.36 C ATOM 1223 C SER A 81 12.409 -12.035 -1.335 1.00 0.37 C ATOM 1224 O SER A 81 11.708 -13.013 -1.607 1.00 0.43 O ATOM 1225 CB SER A 81 13.375 -12.905 0.845 1.00 0.41 C ATOM 1226 OG SER A 81 12.570 -14.067 0.706 1.00 0.62 O ATOM 0 H SER A 81 11.233 -12.011 1.497 1.00 0.34 H new ATOM 0 HA SER A 81 13.482 -10.896 0.101 1.00 0.36 H new ATOM 0 HB2 SER A 81 14.371 -13.100 0.448 1.00 0.41 H new ATOM 0 HB3 SER A 81 13.494 -12.667 1.902 1.00 0.41 H new ATOM 0 HG SER A 81 11.999 -13.977 -0.085 1.00 0.62 H new ATOM 1232 N LEU A 82 12.896 -11.214 -2.265 1.00 0.37 N ATOM 1233 CA LEU A 82 12.357 -11.237 -3.633 1.00 0.39 C ATOM 1234 C LEU A 82 13.432 -11.025 -4.683 1.00 0.49 C ATOM 1235 O LEU A 82 14.461 -10.419 -4.400 1.00 0.82 O ATOM 1236 CB LEU A 82 11.283 -10.162 -3.840 1.00 0.36 C ATOM 1237 CG LEU A 82 11.816 -8.747 -4.085 1.00 0.52 C ATOM 1238 CD1 LEU A 82 10.840 -7.937 -4.912 1.00 1.10 C ATOM 1239 CD2 LEU A 82 12.075 -8.046 -2.774 1.00 1.08 C ATOM 0 H LEU A 82 13.644 -10.539 -2.107 1.00 0.37 H new ATOM 0 HA LEU A 82 11.923 -12.230 -3.753 1.00 0.39 H new ATOM 0 HB2 LEU A 82 10.661 -10.451 -4.687 1.00 0.36 H new ATOM 0 HB3 LEU A 82 10.637 -10.143 -2.962 1.00 0.36 H new ATOM 0 HG LEU A 82 12.753 -8.833 -4.636 1.00 0.52 H new ATOM 0 HD11 LEU A 82 11.242 -6.936 -5.072 1.00 1.10 H new ATOM 0 HD12 LEU A 82 10.687 -8.425 -5.875 1.00 1.10 H new ATOM 0 HD13 LEU A 82 9.888 -7.866 -4.385 1.00 1.10 H new ATOM 0 HD21 LEU A 82 12.453 -7.042 -2.967 1.00 1.08 H new ATOM 0 HD22 LEU A 82 11.147 -7.981 -2.206 1.00 1.08 H new ATOM 0 HD23 LEU A 82 12.812 -8.608 -2.201 1.00 1.08 H new ATOM 1251 N LYS A 83 13.086 -11.432 -5.916 1.00 0.40 N ATOM 1252 CA LYS A 83 13.985 -11.491 -7.077 1.00 0.46 C ATOM 1253 C LYS A 83 15.366 -10.897 -6.817 1.00 0.47 C ATOM 1254 O LYS A 83 16.238 -11.566 -6.257 1.00 0.63 O ATOM 1255 CB LYS A 83 13.325 -10.785 -8.266 1.00 0.52 C ATOM 1256 CG LYS A 83 11.962 -11.359 -8.625 1.00 0.58 C ATOM 1257 CD LYS A 83 11.416 -10.748 -9.898 1.00 0.68 C ATOM 1258 CE LYS A 83 10.093 -11.379 -10.288 1.00 1.08 C ATOM 1259 NZ LYS A 83 9.451 -10.667 -11.424 1.00 1.84 N ATOM 0 H LYS A 83 12.139 -11.739 -6.138 1.00 0.40 H new ATOM 0 HA LYS A 83 14.148 -12.546 -7.296 1.00 0.46 H new ATOM 0 HB2 LYS A 83 13.216 -9.725 -8.036 1.00 0.52 H new ATOM 0 HB3 LYS A 83 13.982 -10.857 -9.133 1.00 0.52 H new ATOM 0 HG2 LYS A 83 12.042 -12.439 -8.745 1.00 0.58 H new ATOM 0 HG3 LYS A 83 11.264 -11.180 -7.807 1.00 0.58 H new ATOM 0 HD2 LYS A 83 11.283 -9.675 -9.761 1.00 0.68 H new ATOM 0 HD3 LYS A 83 12.136 -10.880 -10.705 1.00 0.68 H new ATOM 0 HE2 LYS A 83 10.255 -12.422 -10.559 1.00 1.08 H new ATOM 0 HE3 LYS A 83 9.421 -11.373 -9.430 1.00 1.08 H new ATOM 0 HZ1 LYS A 83 8.743 -11.287 -11.866 1.00 1.84 H new ATOM 0 HZ2 LYS A 83 8.987 -9.804 -11.075 1.00 1.84 H new ATOM 0 HZ3 LYS A 83 10.174 -10.411 -12.127 1.00 1.84 H new ATOM 1273 N ALA A 84 15.527 -9.635 -7.196 1.00 0.47 N ATOM 1274 CA ALA A 84 16.777 -8.907 -7.047 1.00 0.50 C ATOM 1275 C ALA A 84 16.651 -7.602 -7.793 1.00 0.58 C ATOM 1276 O ALA A 84 16.621 -7.596 -9.022 1.00 0.99 O ATOM 1277 CB ALA A 84 17.972 -9.697 -7.569 1.00 0.56 C ATOM 0 H ALA A 84 14.782 -9.083 -7.621 1.00 0.47 H new ATOM 0 HA ALA A 84 16.957 -8.733 -5.986 1.00 0.50 H new ATOM 0 HB1 ALA A 84 18.882 -9.111 -7.436 1.00 0.56 H new ATOM 0 HB2 ALA A 84 18.059 -10.633 -7.017 1.00 0.56 H new ATOM 0 HB3 ALA A 84 17.831 -9.912 -8.628 1.00 0.56 H new ATOM 1283 N LYS A 85 16.556 -6.513 -7.036 1.00 0.49 N ATOM 1284 CA LYS A 85 16.271 -5.185 -7.572 1.00 0.54 C ATOM 1285 C LYS A 85 15.172 -5.251 -8.634 1.00 0.53 C ATOM 1286 O LYS A 85 15.326 -4.779 -9.763 1.00 0.61 O ATOM 1287 CB LYS A 85 17.536 -4.493 -8.102 1.00 0.65 C ATOM 1288 CG LYS A 85 18.197 -5.205 -9.260 1.00 1.07 C ATOM 1289 CD LYS A 85 18.756 -4.215 -10.249 1.00 1.25 C ATOM 1290 CE LYS A 85 20.050 -3.600 -9.761 1.00 1.60 C ATOM 1291 NZ LYS A 85 20.748 -2.876 -10.858 1.00 1.84 N ATOM 0 H LYS A 85 16.676 -6.527 -6.023 1.00 0.49 H new ATOM 0 HA LYS A 85 15.904 -4.571 -6.750 1.00 0.54 H new ATOM 0 HB2 LYS A 85 17.279 -3.480 -8.413 1.00 0.65 H new ATOM 0 HB3 LYS A 85 18.255 -4.404 -7.288 1.00 0.65 H new ATOM 0 HG2 LYS A 85 18.997 -5.847 -8.890 1.00 1.07 H new ATOM 0 HG3 LYS A 85 17.473 -5.852 -9.756 1.00 1.07 H new ATOM 0 HD2 LYS A 85 18.928 -4.713 -11.203 1.00 1.25 H new ATOM 0 HD3 LYS A 85 18.024 -3.427 -10.427 1.00 1.25 H new ATOM 0 HE2 LYS A 85 19.843 -2.912 -8.942 1.00 1.60 H new ATOM 0 HE3 LYS A 85 20.700 -4.380 -9.365 1.00 1.60 H new ATOM 0 HZ1 LYS A 85 21.632 -2.465 -10.495 1.00 1.84 H new ATOM 0 HZ2 LYS A 85 20.966 -3.540 -11.628 1.00 1.84 H new ATOM 0 HZ3 LYS A 85 20.135 -2.117 -11.218 1.00 1.84 H new ATOM 1305 N ASP A 86 14.051 -5.834 -8.241 1.00 0.48 N ATOM 1306 CA ASP A 86 12.983 -6.132 -9.184 1.00 0.46 C ATOM 1307 C ASP A 86 11.634 -6.172 -8.479 1.00 0.40 C ATOM 1308 O ASP A 86 11.523 -5.777 -7.320 1.00 0.38 O ATOM 1309 CB ASP A 86 13.261 -7.468 -9.881 1.00 0.49 C ATOM 1310 CG ASP A 86 12.640 -7.546 -11.262 1.00 0.53 C ATOM 1311 OD1 ASP A 86 11.465 -7.946 -11.365 1.00 0.55 O ATOM 1312 OD2 ASP A 86 13.323 -7.211 -12.251 1.00 0.64 O ATOM 0 H ASP A 86 13.856 -6.110 -7.279 1.00 0.48 H new ATOM 0 HA ASP A 86 12.950 -5.341 -9.933 1.00 0.46 H new ATOM 0 HB2 ASP A 86 14.338 -7.614 -9.962 1.00 0.49 H new ATOM 0 HB3 ASP A 86 12.875 -8.281 -9.267 1.00 0.49 H new ATOM 1317 N MET A 87 10.626 -6.684 -9.166 1.00 0.39 N ATOM 1318 CA MET A 87 9.260 -6.591 -8.695 1.00 0.35 C ATOM 1319 C MET A 87 8.669 -7.975 -8.468 1.00 0.34 C ATOM 1320 O MET A 87 8.667 -8.818 -9.363 1.00 0.37 O ATOM 1321 CB MET A 87 8.407 -5.806 -9.693 1.00 0.35 C ATOM 1322 CG MET A 87 7.038 -5.433 -9.154 1.00 0.35 C ATOM 1323 SD MET A 87 6.042 -4.517 -10.345 1.00 0.41 S ATOM 1324 CE MET A 87 7.002 -3.013 -10.506 1.00 1.35 C ATOM 0 H MET A 87 10.732 -7.170 -10.056 1.00 0.39 H new ATOM 0 HA MET A 87 9.263 -6.062 -7.742 1.00 0.35 H new ATOM 0 HB2 MET A 87 8.937 -4.897 -9.977 1.00 0.35 H new ATOM 0 HB3 MET A 87 8.283 -6.399 -10.599 1.00 0.35 H new ATOM 0 HG2 MET A 87 6.507 -6.340 -8.865 1.00 0.35 H new ATOM 0 HG3 MET A 87 7.159 -4.834 -8.252 1.00 0.35 H new ATOM 0 HE1 MET A 87 6.541 -2.365 -11.252 1.00 1.35 H new ATOM 0 HE2 MET A 87 7.033 -2.497 -9.546 1.00 1.35 H new ATOM 0 HE3 MET A 87 8.017 -3.261 -10.818 1.00 1.35 H new ATOM 1334 N THR A 88 8.179 -8.188 -7.263 1.00 0.31 N ATOM 1335 CA THR A 88 7.586 -9.450 -6.866 1.00 0.30 C ATOM 1336 C THR A 88 6.088 -9.247 -6.606 1.00 0.27 C ATOM 1337 O THR A 88 5.674 -8.183 -6.133 1.00 0.27 O ATOM 1338 CB THR A 88 8.281 -9.997 -5.594 1.00 0.32 C ATOM 1339 OG1 THR A 88 8.189 -11.427 -5.536 1.00 0.77 O ATOM 1340 CG2 THR A 88 7.667 -9.403 -4.330 1.00 0.54 C ATOM 0 H THR A 88 8.181 -7.484 -6.525 1.00 0.31 H new ATOM 0 HA THR A 88 7.719 -10.177 -7.668 1.00 0.30 H new ATOM 0 HB THR A 88 9.330 -9.705 -5.649 1.00 0.32 H new ATOM 0 HG1 THR A 88 8.636 -11.751 -4.726 1.00 0.77 H new ATOM 0 HG21 THR A 88 8.176 -9.806 -3.454 1.00 0.54 H new ATOM 0 HG22 THR A 88 7.777 -8.319 -4.347 1.00 0.54 H new ATOM 0 HG23 THR A 88 6.609 -9.659 -4.285 1.00 0.54 H new ATOM 1348 N ALA A 89 5.270 -10.225 -6.958 1.00 0.27 N ATOM 1349 CA ALA A 89 3.843 -10.133 -6.683 1.00 0.28 C ATOM 1350 C ALA A 89 3.525 -10.607 -5.265 1.00 0.29 C ATOM 1351 O ALA A 89 3.558 -11.800 -4.968 1.00 0.48 O ATOM 1352 CB ALA A 89 3.043 -10.913 -7.712 1.00 0.31 C ATOM 0 H ALA A 89 5.562 -11.081 -7.428 1.00 0.27 H new ATOM 0 HA ALA A 89 3.553 -9.085 -6.756 1.00 0.28 H new ATOM 0 HB1 ALA A 89 1.980 -10.830 -7.486 1.00 0.31 H new ATOM 0 HB2 ALA A 89 3.236 -10.508 -8.706 1.00 0.31 H new ATOM 0 HB3 ALA A 89 3.339 -11.962 -7.684 1.00 0.31 H new ATOM 1358 N LEU A 90 3.224 -9.653 -4.400 1.00 0.27 N ATOM 1359 CA LEU A 90 2.874 -9.922 -3.012 1.00 0.30 C ATOM 1360 C LEU A 90 1.359 -9.785 -2.858 1.00 0.29 C ATOM 1361 O LEU A 90 0.709 -9.157 -3.693 1.00 0.32 O ATOM 1362 CB LEU A 90 3.644 -8.945 -2.102 1.00 0.35 C ATOM 1363 CG LEU A 90 3.398 -9.061 -0.595 1.00 0.40 C ATOM 1364 CD1 LEU A 90 4.673 -8.752 0.170 1.00 0.77 C ATOM 1365 CD2 LEU A 90 2.301 -8.101 -0.159 1.00 0.72 C ATOM 0 H LEU A 90 3.215 -8.662 -4.641 1.00 0.27 H new ATOM 0 HA LEU A 90 3.154 -10.934 -2.720 1.00 0.30 H new ATOM 0 HB2 LEU A 90 4.710 -9.082 -2.283 1.00 0.35 H new ATOM 0 HB3 LEU A 90 3.396 -7.929 -2.409 1.00 0.35 H new ATOM 0 HG LEU A 90 3.085 -10.082 -0.378 1.00 0.40 H new ATOM 0 HD11 LEU A 90 4.485 -8.838 1.240 1.00 0.77 H new ATOM 0 HD12 LEU A 90 5.451 -9.458 -0.120 1.00 0.77 H new ATOM 0 HD13 LEU A 90 4.999 -7.738 -0.061 1.00 0.77 H new ATOM 0 HD21 LEU A 90 2.139 -8.197 0.915 1.00 0.72 H new ATOM 0 HD22 LEU A 90 2.599 -7.079 -0.391 1.00 0.72 H new ATOM 0 HD23 LEU A 90 1.378 -8.339 -0.688 1.00 0.72 H new ATOM 1377 N ASP A 91 0.781 -10.357 -1.814 1.00 0.35 N ATOM 1378 CA ASP A 91 -0.669 -10.396 -1.726 1.00 0.43 C ATOM 1379 C ASP A 91 -1.147 -10.048 -0.326 1.00 0.43 C ATOM 1380 O ASP A 91 -0.796 -10.711 0.651 1.00 0.52 O ATOM 1381 CB ASP A 91 -1.186 -11.775 -2.143 1.00 0.63 C ATOM 1382 CG ASP A 91 -2.665 -11.767 -2.476 1.00 1.07 C ATOM 1383 OD1 ASP A 91 -3.046 -11.160 -3.497 1.00 1.67 O ATOM 1384 OD2 ASP A 91 -3.455 -12.341 -1.694 1.00 1.81 O ATOM 0 H ASP A 91 1.278 -10.790 -1.035 1.00 0.35 H new ATOM 0 HA ASP A 91 -1.070 -9.647 -2.409 1.00 0.43 H new ATOM 0 HB2 ASP A 91 -0.624 -12.123 -3.010 1.00 0.63 H new ATOM 0 HB3 ASP A 91 -1.002 -12.486 -1.338 1.00 0.63 H new ATOM 1389 N ILE A 92 -1.928 -8.982 -0.245 1.00 0.39 N ATOM 1390 CA ILE A 92 -2.514 -8.531 1.006 1.00 0.38 C ATOM 1391 C ILE A 92 -3.986 -8.923 1.052 1.00 0.38 C ATOM 1392 O ILE A 92 -4.657 -8.926 0.018 1.00 0.54 O ATOM 1393 CB ILE A 92 -2.378 -6.991 1.153 1.00 0.43 C ATOM 1394 CG1 ILE A 92 -0.909 -6.592 1.297 1.00 0.52 C ATOM 1395 CG2 ILE A 92 -3.190 -6.452 2.325 1.00 0.52 C ATOM 1396 CD1 ILE A 92 -0.197 -7.255 2.456 1.00 0.65 C ATOM 0 H ILE A 92 -2.174 -8.404 -1.049 1.00 0.39 H new ATOM 0 HA ILE A 92 -1.982 -9.006 1.830 1.00 0.38 H new ATOM 0 HB ILE A 92 -2.781 -6.545 0.244 1.00 0.43 H new ATOM 0 HG12 ILE A 92 -0.385 -6.839 0.374 1.00 0.52 H new ATOM 0 HG13 ILE A 92 -0.848 -5.510 1.418 1.00 0.52 H new ATOM 0 HG21 ILE A 92 -3.064 -5.371 2.388 1.00 0.52 H new ATOM 0 HG22 ILE A 92 -4.244 -6.686 2.176 1.00 0.52 H new ATOM 0 HG23 ILE A 92 -2.843 -6.913 3.250 1.00 0.52 H new ATOM 0 HD11 ILE A 92 0.839 -6.918 2.487 1.00 0.65 H new ATOM 0 HD12 ILE A 92 -0.694 -6.988 3.389 1.00 0.65 H new ATOM 0 HD13 ILE A 92 -0.223 -8.337 2.328 1.00 0.65 H new ATOM 1408 N PRO A 93 -4.497 -9.295 2.239 1.00 0.41 N ATOM 1409 CA PRO A 93 -5.914 -9.631 2.427 1.00 0.55 C ATOM 1410 C PRO A 93 -6.874 -8.480 2.081 1.00 0.61 C ATOM 1411 O PRO A 93 -6.537 -7.556 1.339 1.00 1.07 O ATOM 1412 CB PRO A 93 -6.009 -9.983 3.918 1.00 0.67 C ATOM 1413 CG PRO A 93 -4.792 -9.391 4.538 1.00 0.70 C ATOM 1414 CD PRO A 93 -3.728 -9.453 3.483 1.00 0.52 C ATOM 0 HA PRO A 93 -6.215 -10.438 1.759 1.00 0.55 H new ATOM 0 HB2 PRO A 93 -6.916 -9.573 4.362 1.00 0.67 H new ATOM 0 HB3 PRO A 93 -6.041 -11.062 4.066 1.00 0.67 H new ATOM 0 HG2 PRO A 93 -4.973 -8.363 4.852 1.00 0.70 H new ATOM 0 HG3 PRO A 93 -4.495 -9.948 5.427 1.00 0.70 H new ATOM 0 HD2 PRO A 93 -2.989 -8.661 3.606 1.00 0.52 H new ATOM 0 HD3 PRO A 93 -3.188 -10.399 3.508 1.00 0.52 H new ATOM 1422 N VAL A 94 -8.055 -8.521 2.678 1.00 0.38 N ATOM 1423 CA VAL A 94 -9.189 -7.758 2.202 1.00 0.34 C ATOM 1424 C VAL A 94 -9.792 -6.896 3.318 1.00 0.34 C ATOM 1425 O VAL A 94 -10.716 -7.314 3.987 1.00 0.36 O ATOM 1426 CB VAL A 94 -10.259 -8.750 1.671 1.00 0.36 C ATOM 1427 CG1 VAL A 94 -9.861 -9.325 0.322 1.00 0.42 C ATOM 1428 CG2 VAL A 94 -10.453 -9.897 2.650 1.00 0.46 C ATOM 0 H VAL A 94 -8.250 -9.085 3.505 1.00 0.38 H new ATOM 0 HA VAL A 94 -8.857 -7.088 1.409 1.00 0.34 H new ATOM 0 HB VAL A 94 -11.189 -8.192 1.560 1.00 0.36 H new ATOM 0 HG11 VAL A 94 -10.632 -10.015 -0.021 1.00 0.42 H new ATOM 0 HG12 VAL A 94 -9.751 -8.516 -0.400 1.00 0.42 H new ATOM 0 HG13 VAL A 94 -8.914 -9.857 0.418 1.00 0.42 H new ATOM 0 HG21 VAL A 94 -11.206 -10.583 2.262 1.00 0.46 H new ATOM 0 HG22 VAL A 94 -9.510 -10.429 2.779 1.00 0.46 H new ATOM 0 HG23 VAL A 94 -10.782 -9.503 3.612 1.00 0.46 H new ATOM 1438 N VAL A 95 -9.357 -5.650 3.451 1.00 0.35 N ATOM 1439 CA VAL A 95 -9.600 -4.937 4.708 1.00 0.35 C ATOM 1440 C VAL A 95 -10.294 -3.574 4.575 1.00 0.36 C ATOM 1441 O VAL A 95 -9.673 -2.581 4.236 1.00 0.44 O ATOM 1442 CB VAL A 95 -8.260 -4.731 5.446 1.00 0.42 C ATOM 1443 CG1 VAL A 95 -7.262 -3.970 4.566 1.00 0.48 C ATOM 1444 CG2 VAL A 95 -8.497 -4.020 6.762 1.00 0.45 C ATOM 0 H VAL A 95 -8.853 -5.124 2.737 1.00 0.35 H new ATOM 0 HA VAL A 95 -10.291 -5.572 5.262 1.00 0.35 H new ATOM 0 HB VAL A 95 -7.823 -5.706 5.661 1.00 0.42 H new ATOM 0 HG11 VAL A 95 -6.326 -3.837 5.108 1.00 0.48 H new ATOM 0 HG12 VAL A 95 -7.076 -4.537 3.654 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -7.674 -2.994 4.309 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -7.546 -3.879 7.276 1.00 0.45 H new ATOM 0 HG22 VAL A 95 -8.955 -3.049 6.574 1.00 0.45 H new ATOM 0 HG23 VAL A 95 -9.161 -4.620 7.385 1.00 0.45 H new ATOM 1454 N VAL A 96 -11.586 -3.513 4.849 1.00 0.34 N ATOM 1455 CA VAL A 96 -12.219 -2.230 5.116 1.00 0.34 C ATOM 1456 C VAL A 96 -13.447 -2.380 6.007 1.00 0.36 C ATOM 1457 O VAL A 96 -14.357 -3.142 5.694 1.00 0.47 O ATOM 1458 CB VAL A 96 -12.575 -1.464 3.828 1.00 0.45 C ATOM 1459 CG1 VAL A 96 -13.416 -2.312 2.891 1.00 1.02 C ATOM 1460 CG2 VAL A 96 -13.280 -0.167 4.173 1.00 1.07 C ATOM 0 H VAL A 96 -12.209 -4.320 4.892 1.00 0.34 H new ATOM 0 HA VAL A 96 -11.479 -1.636 5.652 1.00 0.34 H new ATOM 0 HB VAL A 96 -11.649 -1.229 3.303 1.00 0.45 H new ATOM 0 HG11 VAL A 96 -13.649 -1.740 1.993 1.00 1.02 H new ATOM 0 HG12 VAL A 96 -12.862 -3.209 2.616 1.00 1.02 H new ATOM 0 HG13 VAL A 96 -14.342 -2.596 3.390 1.00 1.02 H new ATOM 0 HG21 VAL A 96 -13.528 0.368 3.256 1.00 1.07 H new ATOM 0 HG22 VAL A 96 -14.195 -0.386 4.724 1.00 1.07 H new ATOM 0 HG23 VAL A 96 -12.625 0.451 4.787 1.00 1.07 H new ATOM 1470 N PRO A 97 -13.494 -1.682 7.144 1.00 0.34 N ATOM 1471 CA PRO A 97 -14.692 -1.651 7.972 1.00 0.36 C ATOM 1472 C PRO A 97 -15.926 -1.234 7.179 1.00 0.33 C ATOM 1473 O PRO A 97 -15.892 -0.286 6.390 1.00 0.34 O ATOM 1474 CB PRO A 97 -14.365 -0.634 9.060 1.00 0.41 C ATOM 1475 CG PRO A 97 -12.874 -0.596 9.118 1.00 0.48 C ATOM 1476 CD PRO A 97 -12.387 -0.908 7.730 1.00 0.36 C ATOM 0 HA PRO A 97 -14.936 -2.635 8.373 1.00 0.36 H new ATOM 0 HB2 PRO A 97 -14.776 0.347 8.820 1.00 0.41 H new ATOM 0 HB3 PRO A 97 -14.790 -0.931 10.019 1.00 0.41 H new ATOM 0 HG2 PRO A 97 -12.523 0.384 9.442 1.00 0.48 H new ATOM 0 HG3 PRO A 97 -12.495 -1.324 9.835 1.00 0.48 H new ATOM 0 HD2 PRO A 97 -12.187 0.000 7.161 1.00 0.36 H new ATOM 0 HD3 PRO A 97 -11.461 -1.483 7.749 1.00 0.36 H new ATOM 1484 N TYR A 98 -17.009 -1.967 7.399 1.00 0.35 N ATOM 1485 CA TYR A 98 -18.287 -1.738 6.728 1.00 0.37 C ATOM 1486 C TYR A 98 -18.700 -0.266 6.825 1.00 0.36 C ATOM 1487 O TYR A 98 -19.249 0.298 5.879 1.00 0.39 O ATOM 1488 CB TYR A 98 -19.335 -2.668 7.372 1.00 0.47 C ATOM 1489 CG TYR A 98 -20.793 -2.409 7.033 1.00 0.60 C ATOM 1490 CD1 TYR A 98 -21.416 -1.246 7.464 1.00 0.90 C ATOM 1491 CD2 TYR A 98 -21.523 -3.282 6.231 1.00 1.04 C ATOM 1492 CE1 TYR A 98 -22.723 -0.966 7.119 1.00 1.06 C ATOM 1493 CE2 TYR A 98 -22.826 -3.001 5.871 1.00 1.23 C ATOM 1494 CZ TYR A 98 -23.496 -2.024 6.506 1.00 1.08 C ATOM 1495 OH TYR A 98 -24.710 -1.548 5.949 1.00 1.31 O ATOM 0 H TYR A 98 -17.028 -2.747 8.056 1.00 0.35 H new ATOM 0 HA TYR A 98 -18.202 -1.965 5.665 1.00 0.37 H new ATOM 0 HB2 TYR A 98 -19.098 -3.693 7.086 1.00 0.47 H new ATOM 0 HB3 TYR A 98 -19.223 -2.605 8.454 1.00 0.47 H new ATOM 0 HD1 TYR A 98 -20.869 -0.548 8.080 1.00 0.90 H new ATOM 0 HD2 TYR A 98 -21.062 -4.195 5.884 1.00 1.04 H new ATOM 0 HE1 TYR A 98 -23.153 0.008 7.300 1.00 1.06 H new ATOM 0 HE2 TYR A 98 -23.305 -3.564 5.083 1.00 1.23 H new ATOM 0 HH TYR A 98 -25.199 -2.295 5.545 1.00 1.31 H new ATOM 1505 N SER A 99 -18.396 0.350 7.960 1.00 0.37 N ATOM 1506 CA SER A 99 -18.800 1.723 8.235 1.00 0.41 C ATOM 1507 C SER A 99 -18.128 2.736 7.298 1.00 0.38 C ATOM 1508 O SER A 99 -18.670 3.814 7.058 1.00 0.39 O ATOM 1509 CB SER A 99 -18.488 2.059 9.692 1.00 0.50 C ATOM 1510 OG SER A 99 -18.919 1.012 10.551 1.00 1.20 O ATOM 0 H SER A 99 -17.864 -0.086 8.714 1.00 0.37 H new ATOM 0 HA SER A 99 -19.873 1.795 8.055 1.00 0.41 H new ATOM 0 HB2 SER A 99 -17.416 2.218 9.813 1.00 0.50 H new ATOM 0 HB3 SER A 99 -18.981 2.991 9.970 1.00 0.50 H new ATOM 0 HG SER A 99 -18.709 1.244 11.480 1.00 1.20 H new ATOM 1516 N ILE A 100 -16.962 2.403 6.753 1.00 0.36 N ATOM 1517 CA ILE A 100 -16.251 3.351 5.901 1.00 0.37 C ATOM 1518 C ILE A 100 -16.961 3.486 4.569 1.00 0.34 C ATOM 1519 O ILE A 100 -17.280 4.590 4.126 1.00 0.36 O ATOM 1520 CB ILE A 100 -14.806 2.926 5.605 1.00 0.41 C ATOM 1521 CG1 ILE A 100 -14.153 2.278 6.832 1.00 0.45 C ATOM 1522 CG2 ILE A 100 -14.008 4.143 5.166 1.00 0.48 C ATOM 1523 CD1 ILE A 100 -14.090 3.183 8.045 1.00 0.51 C ATOM 0 H ILE A 100 -16.497 1.504 6.881 1.00 0.36 H new ATOM 0 HA ILE A 100 -16.235 4.293 6.450 1.00 0.37 H new ATOM 0 HB ILE A 100 -14.817 2.184 4.807 1.00 0.41 H new ATOM 0 HG12 ILE A 100 -14.707 1.376 7.092 1.00 0.45 H new ATOM 0 HG13 ILE A 100 -13.142 1.966 6.571 1.00 0.45 H new ATOM 0 HG21 ILE A 100 -12.980 3.847 4.954 1.00 0.48 H new ATOM 0 HG22 ILE A 100 -14.456 4.567 4.267 1.00 0.48 H new ATOM 0 HG23 ILE A 100 -14.014 4.889 5.961 1.00 0.48 H new ATOM 0 HD11 ILE A 100 -13.615 2.653 8.870 1.00 0.51 H new ATOM 0 HD12 ILE A 100 -13.510 4.074 7.805 1.00 0.51 H new ATOM 0 HD13 ILE A 100 -15.100 3.475 8.334 1.00 0.51 H new ATOM 1535 N LEU A 101 -17.165 2.346 3.925 1.00 0.33 N ATOM 1536 CA LEU A 101 -17.934 2.288 2.684 1.00 0.34 C ATOM 1537 C LEU A 101 -19.345 2.780 2.894 1.00 0.34 C ATOM 1538 O LEU A 101 -19.991 3.264 1.972 1.00 0.36 O ATOM 1539 CB LEU A 101 -17.919 0.899 2.072 1.00 0.35 C ATOM 1540 CG LEU A 101 -16.735 0.669 1.145 1.00 0.41 C ATOM 1541 CD1 LEU A 101 -15.447 0.623 1.926 1.00 0.89 C ATOM 1542 CD2 LEU A 101 -16.927 -0.581 0.309 1.00 1.00 C ATOM 0 H LEU A 101 -16.808 1.444 4.240 1.00 0.33 H new ATOM 0 HA LEU A 101 -17.449 2.956 1.972 1.00 0.34 H new ATOM 0 HB2 LEU A 101 -17.898 0.157 2.870 1.00 0.35 H new ATOM 0 HB3 LEU A 101 -18.844 0.743 1.516 1.00 0.35 H new ATOM 0 HG LEU A 101 -16.675 1.511 0.456 1.00 0.41 H new ATOM 0 HD11 LEU A 101 -14.613 0.458 1.244 1.00 0.89 H new ATOM 0 HD12 LEU A 101 -15.305 1.568 2.450 1.00 0.89 H new ATOM 0 HD13 LEU A 101 -15.490 -0.190 2.650 1.00 0.89 H new ATOM 0 HD21 LEU A 101 -16.065 -0.719 -0.343 1.00 1.00 H new ATOM 0 HD22 LEU A 101 -17.027 -1.446 0.965 1.00 1.00 H new ATOM 0 HD23 LEU A 101 -17.827 -0.479 -0.297 1.00 1.00 H new ATOM 1554 N PHE A 102 -19.792 2.666 4.124 1.00 0.34 N ATOM 1555 CA PHE A 102 -21.080 3.208 4.494 1.00 0.36 C ATOM 1556 C PHE A 102 -21.048 4.699 4.209 1.00 0.35 C ATOM 1557 O PHE A 102 -21.920 5.249 3.542 1.00 0.36 O ATOM 1558 CB PHE A 102 -21.391 2.945 5.972 1.00 0.42 C ATOM 1559 CG PHE A 102 -22.749 3.423 6.409 1.00 0.57 C ATOM 1560 CD1 PHE A 102 -23.870 2.636 6.210 1.00 0.74 C ATOM 1561 CD2 PHE A 102 -22.900 4.657 7.024 1.00 0.80 C ATOM 1562 CE1 PHE A 102 -25.118 3.071 6.616 1.00 0.90 C ATOM 1563 CE2 PHE A 102 -24.145 5.095 7.431 1.00 0.96 C ATOM 1564 CZ PHE A 102 -25.254 4.302 7.227 1.00 0.94 C ATOM 0 H PHE A 102 -19.287 2.206 4.881 1.00 0.34 H new ATOM 0 HA PHE A 102 -21.868 2.724 3.916 1.00 0.36 H new ATOM 0 HB2 PHE A 102 -21.316 1.875 6.163 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -20.632 3.432 6.584 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -23.769 1.672 5.733 1.00 0.74 H new ATOM 0 HD2 PHE A 102 -22.034 5.282 7.186 1.00 0.80 H new ATOM 0 HE1 PHE A 102 -25.986 2.449 6.455 1.00 0.90 H new ATOM 0 HE2 PHE A 102 -24.250 6.058 7.909 1.00 0.96 H new ATOM 0 HZ PHE A 102 -26.228 4.643 7.545 1.00 0.94 H new ATOM 1574 N ASN A 103 -19.987 5.325 4.676 1.00 0.36 N ATOM 1575 CA ASN A 103 -19.797 6.751 4.528 1.00 0.38 C ATOM 1576 C ASN A 103 -19.381 7.160 3.109 1.00 0.36 C ATOM 1577 O ASN A 103 -20.038 8.005 2.506 1.00 0.38 O ATOM 1578 CB ASN A 103 -18.777 7.216 5.553 1.00 0.43 C ATOM 1579 CG ASN A 103 -19.336 7.135 6.963 1.00 0.49 C ATOM 1580 OD1 ASN A 103 -20.523 7.370 7.180 1.00 0.82 O ATOM 1581 ND2 ASN A 103 -18.501 6.786 7.925 1.00 0.49 N ATOM 0 H ASN A 103 -19.229 4.855 5.171 1.00 0.36 H new ATOM 0 HA ASN A 103 -20.756 7.239 4.703 1.00 0.38 H new ATOM 0 HB2 ASN A 103 -17.879 6.603 5.480 1.00 0.43 H new ATOM 0 HB3 ASN A 103 -18.481 8.242 5.335 1.00 0.43 H new ATOM 0 HD21 ASN A 103 -18.835 6.704 8.885 1.00 0.49 H new ATOM 0 HD22 ASN A 103 -17.522 6.599 7.708 1.00 0.49 H new ATOM 1588 N LEU A 104 -18.283 6.598 2.585 1.00 0.36 N ATOM 1589 CA LEU A 104 -17.827 6.930 1.229 1.00 0.39 C ATOM 1590 C LEU A 104 -18.913 6.731 0.157 1.00 0.37 C ATOM 1591 O LEU A 104 -19.153 7.626 -0.650 1.00 0.40 O ATOM 1592 CB LEU A 104 -16.563 6.139 0.878 1.00 0.45 C ATOM 1593 CG LEU A 104 -16.741 4.649 0.593 1.00 0.51 C ATOM 1594 CD1 LEU A 104 -16.933 4.387 -0.894 1.00 0.55 C ATOM 1595 CD2 LEU A 104 -15.546 3.886 1.109 1.00 0.65 C ATOM 0 H LEU A 104 -17.700 5.919 3.074 1.00 0.36 H new ATOM 0 HA LEU A 104 -17.594 7.995 1.232 1.00 0.39 H new ATOM 0 HB2 LEU A 104 -16.106 6.600 0.003 1.00 0.45 H new ATOM 0 HB3 LEU A 104 -15.856 6.246 1.701 1.00 0.45 H new ATOM 0 HG LEU A 104 -17.639 4.307 1.108 1.00 0.51 H new ATOM 0 HD11 LEU A 104 -17.057 3.317 -1.062 1.00 0.55 H new ATOM 0 HD12 LEU A 104 -17.820 4.914 -1.245 1.00 0.55 H new ATOM 0 HD13 LEU A 104 -16.060 4.742 -1.442 1.00 0.55 H new ATOM 0 HD21 LEU A 104 -15.677 2.823 0.904 1.00 0.65 H new ATOM 0 HD22 LEU A 104 -14.644 4.243 0.612 1.00 0.65 H new ATOM 0 HD23 LEU A 104 -15.453 4.039 2.184 1.00 0.65 H new ATOM 1607 N ALA A 105 -19.563 5.569 0.152 1.00 0.35 N ATOM 1608 CA ALA A 105 -20.591 5.256 -0.847 1.00 0.38 C ATOM 1609 C ALA A 105 -21.811 6.135 -0.644 1.00 0.37 C ATOM 1610 O ALA A 105 -22.591 6.380 -1.550 1.00 0.39 O ATOM 1611 CB ALA A 105 -20.978 3.794 -0.767 1.00 0.43 C ATOM 0 H ALA A 105 -19.398 4.825 0.829 1.00 0.35 H new ATOM 0 HA ALA A 105 -20.181 5.453 -1.838 1.00 0.38 H new ATOM 0 HB1 ALA A 105 -21.741 3.578 -1.515 1.00 0.43 H new ATOM 0 HB2 ALA A 105 -20.101 3.175 -0.955 1.00 0.43 H new ATOM 0 HB3 ALA A 105 -21.371 3.575 0.226 1.00 0.43 H new ATOM 1617 N ARG A 106 -21.952 6.582 0.573 1.00 0.36 N ATOM 1618 CA ARG A 106 -23.014 7.504 0.917 1.00 0.40 C ATOM 1619 C ARG A 106 -22.754 8.868 0.285 1.00 0.38 C ATOM 1620 O ARG A 106 -23.621 9.424 -0.371 1.00 0.40 O ATOM 1621 CB ARG A 106 -23.143 7.629 2.422 1.00 0.48 C ATOM 1622 CG ARG A 106 -23.953 8.825 2.877 1.00 0.53 C ATOM 1623 CD ARG A 106 -23.708 9.079 4.345 1.00 0.73 C ATOM 1624 NE ARG A 106 -22.274 9.104 4.613 1.00 0.91 N ATOM 1625 CZ ARG A 106 -21.668 10.032 5.354 1.00 1.38 C ATOM 1626 NH1 ARG A 106 -22.386 10.931 6.018 1.00 1.52 N ATOM 1627 NH2 ARG A 106 -20.344 10.041 5.445 1.00 1.81 N ATOM 0 H ARG A 106 -21.345 6.325 1.351 1.00 0.36 H new ATOM 0 HA ARG A 106 -23.954 7.114 0.526 1.00 0.40 H new ATOM 0 HB2 ARG A 106 -23.604 6.722 2.813 1.00 0.48 H new ATOM 0 HB3 ARG A 106 -22.146 7.693 2.857 1.00 0.48 H new ATOM 0 HG2 ARG A 106 -23.678 9.705 2.295 1.00 0.53 H new ATOM 0 HG3 ARG A 106 -25.014 8.646 2.701 1.00 0.53 H new ATOM 0 HD2 ARG A 106 -24.158 10.027 4.639 1.00 0.73 H new ATOM 0 HD3 ARG A 106 -24.185 8.301 4.942 1.00 0.73 H new ATOM 0 HE ARG A 106 -21.699 8.365 4.208 1.00 0.91 H new ATOM 0 HH11 ARG A 106 -23.404 10.913 5.962 1.00 1.52 H new ATOM 0 HH12 ARG A 106 -21.919 11.640 6.584 1.00 1.52 H new ATOM 0 HH21 ARG A 106 -19.794 9.340 4.949 1.00 1.81 H new ATOM 0 HH22 ARG A 106 -19.876 10.749 6.011 1.00 1.81 H new ATOM 1641 N ASP A 107 -21.544 9.383 0.463 1.00 0.37 N ATOM 1642 CA ASP A 107 -21.216 10.739 0.023 1.00 0.41 C ATOM 1643 C ASP A 107 -20.876 10.791 -1.471 1.00 0.38 C ATOM 1644 O ASP A 107 -21.484 11.536 -2.252 1.00 0.41 O ATOM 1645 CB ASP A 107 -20.023 11.236 0.842 1.00 0.46 C ATOM 1646 CG ASP A 107 -19.651 12.683 0.573 1.00 0.57 C ATOM 1647 OD1 ASP A 107 -19.298 12.997 -0.583 1.00 0.68 O ATOM 1648 OD2 ASP A 107 -19.761 13.520 1.492 1.00 0.80 O ATOM 0 H ASP A 107 -20.773 8.886 0.908 1.00 0.37 H new ATOM 0 HA ASP A 107 -22.087 11.376 0.178 1.00 0.41 H new ATOM 0 HB2 ASP A 107 -20.249 11.121 1.902 1.00 0.46 H new ATOM 0 HB3 ASP A 107 -19.161 10.604 0.630 1.00 0.46 H new ATOM 1653 N VAL A 108 -19.935 9.974 -1.898 1.00 0.34 N ATOM 1654 CA VAL A 108 -19.533 10.018 -3.286 1.00 0.33 C ATOM 1655 C VAL A 108 -20.395 9.074 -4.110 1.00 0.32 C ATOM 1656 O VAL A 108 -20.494 9.220 -5.315 1.00 0.37 O ATOM 1657 CB VAL A 108 -18.040 9.692 -3.487 1.00 0.32 C ATOM 1658 CG1 VAL A 108 -17.578 10.173 -4.847 1.00 0.77 C ATOM 1659 CG2 VAL A 108 -17.186 10.314 -2.395 1.00 0.88 C ATOM 0 H VAL A 108 -19.446 9.289 -1.321 1.00 0.34 H new ATOM 0 HA VAL A 108 -19.680 11.042 -3.628 1.00 0.33 H new ATOM 0 HB VAL A 108 -17.923 8.610 -3.431 1.00 0.32 H new ATOM 0 HG11 VAL A 108 -16.522 9.937 -4.977 1.00 0.77 H new ATOM 0 HG12 VAL A 108 -18.159 9.677 -5.625 1.00 0.77 H new ATOM 0 HG13 VAL A 108 -17.720 11.251 -4.919 1.00 0.77 H new ATOM 0 HG21 VAL A 108 -16.139 10.065 -2.566 1.00 0.88 H new ATOM 0 HG22 VAL A 108 -17.309 11.397 -2.410 1.00 0.88 H new ATOM 0 HG23 VAL A 108 -17.497 9.927 -1.425 1.00 0.88 H new ATOM 1669 N GLY A 109 -20.985 8.081 -3.452 1.00 0.29 N ATOM 1670 CA GLY A 109 -22.015 7.281 -4.095 1.00 0.30 C ATOM 1671 C GLY A 109 -23.304 8.061 -4.240 1.00 0.33 C ATOM 1672 O GLY A 109 -24.195 7.691 -5.006 1.00 0.38 O ATOM 0 H GLY A 109 -20.771 7.816 -2.491 1.00 0.29 H new ATOM 0 HA2 GLY A 109 -21.669 6.960 -5.077 1.00 0.30 H new ATOM 0 HA3 GLY A 109 -22.197 6.379 -3.510 1.00 0.30 H new ATOM 1676 N VAL A 110 -23.396 9.120 -3.446 1.00 0.37 N ATOM 1677 CA VAL A 110 -24.391 10.155 -3.680 1.00 0.46 C ATOM 1678 C VAL A 110 -24.249 10.584 -5.137 1.00 0.47 C ATOM 1679 O VAL A 110 -25.235 10.721 -5.861 1.00 0.54 O ATOM 1680 CB VAL A 110 -24.237 11.359 -2.717 1.00 0.56 C ATOM 1681 CG1 VAL A 110 -24.108 12.680 -3.460 1.00 1.09 C ATOM 1682 CG2 VAL A 110 -25.406 11.418 -1.748 1.00 0.78 C ATOM 0 H VAL A 110 -22.796 9.283 -2.638 1.00 0.37 H new ATOM 0 HA VAL A 110 -25.388 9.761 -3.484 1.00 0.46 H new ATOM 0 HB VAL A 110 -23.313 11.205 -2.160 1.00 0.56 H new ATOM 0 HG11 VAL A 110 -24.003 13.493 -2.741 1.00 1.09 H new ATOM 0 HG12 VAL A 110 -23.230 12.650 -4.106 1.00 1.09 H new ATOM 0 HG13 VAL A 110 -24.999 12.845 -4.066 1.00 1.09 H new ATOM 0 HG21 VAL A 110 -25.281 12.270 -1.079 1.00 0.78 H new ATOM 0 HG22 VAL A 110 -26.336 11.528 -2.306 1.00 0.78 H new ATOM 0 HG23 VAL A 110 -25.440 10.499 -1.163 1.00 0.78 H new ATOM 1692 N ASP A 111 -23.004 10.823 -5.551 1.00 0.45 N ATOM 1693 CA ASP A 111 -22.683 10.810 -6.982 1.00 0.52 C ATOM 1694 C ASP A 111 -22.795 9.387 -7.533 1.00 0.59 C ATOM 1695 O ASP A 111 -23.891 8.934 -7.878 1.00 1.05 O ATOM 1696 CB ASP A 111 -21.281 11.368 -7.270 1.00 0.60 C ATOM 1697 CG ASP A 111 -21.232 12.878 -7.272 1.00 1.30 C ATOM 1698 OD1 ASP A 111 -22.024 13.503 -8.011 1.00 1.86 O ATOM 1699 OD2 ASP A 111 -20.399 13.450 -6.547 1.00 1.87 O ATOM 0 H ASP A 111 -22.217 11.024 -4.934 1.00 0.45 H new ATOM 0 HA ASP A 111 -23.404 11.458 -7.480 1.00 0.52 H new ATOM 0 HB2 ASP A 111 -20.585 10.989 -6.522 1.00 0.60 H new ATOM 0 HB3 ASP A 111 -20.941 10.998 -8.237 1.00 0.60 H new ATOM 1704 N TRP A 112 -21.658 8.694 -7.603 1.00 0.43 N ATOM 1705 CA TRP A 112 -21.609 7.294 -8.038 1.00 0.45 C ATOM 1706 C TRP A 112 -20.178 6.741 -8.008 1.00 0.42 C ATOM 1707 O TRP A 112 -19.922 5.698 -7.420 1.00 0.43 O ATOM 1708 CB TRP A 112 -22.227 7.111 -9.442 1.00 0.57 C ATOM 1709 CG TRP A 112 -21.593 7.919 -10.544 1.00 0.64 C ATOM 1710 CD1 TRP A 112 -21.340 9.261 -10.554 1.00 0.72 C ATOM 1711 CD2 TRP A 112 -21.166 7.425 -11.816 1.00 0.78 C ATOM 1712 NE1 TRP A 112 -20.764 9.623 -11.745 1.00 0.83 N ATOM 1713 CE2 TRP A 112 -20.650 8.516 -12.538 1.00 0.86 C ATOM 1714 CE3 TRP A 112 -21.171 6.164 -12.410 1.00 0.96 C ATOM 1715 CZ2 TRP A 112 -20.134 8.379 -13.824 1.00 1.04 C ATOM 1716 CZ3 TRP A 112 -20.660 6.028 -13.686 1.00 1.16 C ATOM 1717 CH2 TRP A 112 -20.152 7.131 -14.382 1.00 1.17 C ATOM 0 H TRP A 112 -20.747 9.084 -7.361 1.00 0.43 H new ATOM 0 HA TRP A 112 -22.207 6.724 -7.327 1.00 0.45 H new ATOM 0 HB2 TRP A 112 -22.169 6.056 -9.710 1.00 0.57 H new ATOM 0 HB3 TRP A 112 -23.285 7.369 -9.390 1.00 0.57 H new ATOM 0 HD1 TRP A 112 -21.561 9.938 -9.742 1.00 0.72 H new ATOM 0 HE1 TRP A 112 -20.469 10.566 -11.998 1.00 0.83 H new ATOM 0 HE3 TRP A 112 -21.567 5.309 -11.882 1.00 0.96 H new ATOM 0 HZ2 TRP A 112 -19.735 9.227 -14.361 1.00 1.04 H new ATOM 0 HZ3 TRP A 112 -20.652 5.055 -14.154 1.00 1.16 H new ATOM 0 HH2 TRP A 112 -19.766 6.993 -15.381 1.00 1.17 H new ATOM 1728 N ASP A 113 -19.258 7.439 -8.650 1.00 0.42 N ATOM 1729 CA ASP A 113 -17.867 6.985 -8.690 1.00 0.42 C ATOM 1730 C ASP A 113 -17.049 7.636 -7.578 1.00 0.40 C ATOM 1731 O ASP A 113 -16.988 8.860 -7.468 1.00 0.50 O ATOM 1732 CB ASP A 113 -17.238 7.236 -10.071 1.00 0.51 C ATOM 1733 CG ASP A 113 -17.020 8.701 -10.396 1.00 1.26 C ATOM 1734 OD1 ASP A 113 -17.982 9.489 -10.315 1.00 2.15 O ATOM 1735 OD2 ASP A 113 -15.873 9.068 -10.746 1.00 1.61 O ATOM 0 H ASP A 113 -19.438 8.312 -9.147 1.00 0.42 H new ATOM 0 HA ASP A 113 -17.861 5.908 -8.520 1.00 0.42 H new ATOM 0 HB2 ASP A 113 -16.281 6.717 -10.122 1.00 0.51 H new ATOM 0 HB3 ASP A 113 -17.879 6.797 -10.835 1.00 0.51 H new ATOM 1740 N ILE A 114 -16.423 6.799 -6.746 1.00 0.32 N ATOM 1741 CA ILE A 114 -15.696 7.274 -5.568 1.00 0.32 C ATOM 1742 C ILE A 114 -14.207 7.068 -5.781 1.00 0.32 C ATOM 1743 O ILE A 114 -13.793 6.246 -6.599 1.00 0.33 O ATOM 1744 CB ILE A 114 -16.122 6.561 -4.234 1.00 0.31 C ATOM 1745 CG1 ILE A 114 -17.642 6.477 -4.104 1.00 0.39 C ATOM 1746 CG2 ILE A 114 -15.535 7.271 -3.019 1.00 0.33 C ATOM 1747 CD1 ILE A 114 -18.243 5.326 -4.869 1.00 0.38 C ATOM 0 H ILE A 114 -16.406 5.786 -6.868 1.00 0.32 H new ATOM 0 HA ILE A 114 -15.942 8.330 -5.457 1.00 0.32 H new ATOM 0 HB ILE A 114 -15.725 5.547 -4.273 1.00 0.31 H new ATOM 0 HG12 ILE A 114 -17.905 6.381 -3.051 1.00 0.39 H new ATOM 0 HG13 ILE A 114 -18.082 7.409 -4.458 1.00 0.39 H new ATOM 0 HG21 ILE A 114 -15.847 6.755 -2.111 1.00 0.33 H new ATOM 0 HG22 ILE A 114 -14.447 7.265 -3.085 1.00 0.33 H new ATOM 0 HG23 ILE A 114 -15.891 8.301 -2.992 1.00 0.33 H new ATOM 0 HD11 ILE A 114 -19.325 5.325 -4.734 1.00 0.38 H new ATOM 0 HD12 ILE A 114 -18.010 5.432 -5.928 1.00 0.38 H new ATOM 0 HD13 ILE A 114 -17.830 4.388 -4.499 1.00 0.38 H new ATOM 1759 N ASP A 115 -13.413 7.812 -5.042 1.00 0.35 N ATOM 1760 CA ASP A 115 -11.976 7.726 -5.146 1.00 0.38 C ATOM 1761 C ASP A 115 -11.423 7.016 -3.923 1.00 0.34 C ATOM 1762 O ASP A 115 -12.061 6.990 -2.870 1.00 0.31 O ATOM 1763 CB ASP A 115 -11.359 9.119 -5.305 1.00 0.46 C ATOM 1764 CG ASP A 115 -11.339 9.931 -4.032 1.00 1.27 C ATOM 1765 OD1 ASP A 115 -12.421 10.343 -3.564 1.00 2.11 O ATOM 1766 OD2 ASP A 115 -10.228 10.205 -3.527 1.00 1.36 O ATOM 0 H ASP A 115 -13.745 8.490 -4.356 1.00 0.35 H new ATOM 0 HA ASP A 115 -11.714 7.151 -6.034 1.00 0.38 H new ATOM 0 HB2 ASP A 115 -10.338 9.013 -5.672 1.00 0.46 H new ATOM 0 HB3 ASP A 115 -11.916 9.667 -6.065 1.00 0.46 H new ATOM 1771 N TYR A 116 -10.273 6.393 -4.079 1.00 0.37 N ATOM 1772 CA TYR A 116 -9.619 5.695 -2.987 1.00 0.37 C ATOM 1773 C TYR A 116 -8.138 6.023 -3.044 1.00 0.40 C ATOM 1774 O TYR A 116 -7.641 6.399 -4.101 1.00 0.62 O ATOM 1775 CB TYR A 116 -9.793 4.171 -3.085 1.00 0.38 C ATOM 1776 CG TYR A 116 -11.214 3.677 -2.941 1.00 0.37 C ATOM 1777 CD1 TYR A 116 -12.140 3.837 -3.965 1.00 0.37 C ATOM 1778 CD2 TYR A 116 -11.622 3.035 -1.780 1.00 0.40 C ATOM 1779 CE1 TYR A 116 -13.433 3.373 -3.831 1.00 0.39 C ATOM 1780 CE2 TYR A 116 -12.913 2.569 -1.639 1.00 0.42 C ATOM 1781 CZ TYR A 116 -13.815 2.740 -2.668 1.00 0.41 C ATOM 1782 OH TYR A 116 -15.102 2.274 -2.532 1.00 0.45 O ATOM 0 H TYR A 116 -9.765 6.355 -4.963 1.00 0.37 H new ATOM 0 HA TYR A 116 -10.071 6.019 -2.050 1.00 0.37 H new ATOM 0 HB2 TYR A 116 -9.405 3.838 -4.048 1.00 0.38 H new ATOM 0 HB3 TYR A 116 -9.182 3.701 -2.315 1.00 0.38 H new ATOM 0 HD1 TYR A 116 -11.844 4.331 -4.878 1.00 0.37 H new ATOM 0 HD2 TYR A 116 -10.917 2.898 -0.973 1.00 0.40 H new ATOM 0 HE1 TYR A 116 -14.143 3.505 -4.634 1.00 0.39 H new ATOM 0 HE2 TYR A 116 -13.215 2.073 -0.728 1.00 0.42 H new ATOM 0 HH TYR A 116 -15.206 1.853 -1.653 1.00 0.45 H new ATOM 1792 N GLU A 117 -7.439 5.878 -1.933 1.00 0.27 N ATOM 1793 CA GLU A 117 -6.006 6.098 -1.905 1.00 0.28 C ATOM 1794 C GLU A 117 -5.358 5.144 -0.922 1.00 0.28 C ATOM 1795 O GLU A 117 -5.878 4.902 0.168 1.00 0.31 O ATOM 1796 CB GLU A 117 -5.653 7.535 -1.516 1.00 0.31 C ATOM 1797 CG GLU A 117 -4.185 7.871 -1.750 1.00 0.39 C ATOM 1798 CD GLU A 117 -3.742 9.107 -0.999 1.00 0.51 C ATOM 1799 OE1 GLU A 117 -3.393 8.989 0.191 1.00 0.80 O ATOM 1800 OE2 GLU A 117 -3.742 10.204 -1.597 1.00 0.66 O ATOM 0 H GLU A 117 -7.843 5.608 -1.036 1.00 0.27 H new ATOM 0 HA GLU A 117 -5.630 5.918 -2.912 1.00 0.28 H new ATOM 0 HB2 GLU A 117 -6.274 8.224 -2.089 1.00 0.31 H new ATOM 0 HB3 GLU A 117 -5.892 7.690 -0.464 1.00 0.31 H new ATOM 0 HG2 GLU A 117 -3.570 7.025 -1.444 1.00 0.39 H new ATOM 0 HG3 GLU A 117 -4.016 8.019 -2.817 1.00 0.39 H new ATOM 1807 N LEU A 118 -4.235 4.597 -1.323 1.00 0.29 N ATOM 1808 CA LEU A 118 -3.471 3.705 -0.482 1.00 0.28 C ATOM 1809 C LEU A 118 -2.176 4.385 -0.062 1.00 0.28 C ATOM 1810 O LEU A 118 -1.481 4.968 -0.884 1.00 0.32 O ATOM 1811 CB LEU A 118 -3.228 2.390 -1.254 1.00 0.35 C ATOM 1812 CG LEU A 118 -2.156 1.420 -0.730 1.00 0.40 C ATOM 1813 CD1 LEU A 118 -0.773 1.840 -1.195 1.00 1.24 C ATOM 1814 CD2 LEU A 118 -2.210 1.308 0.786 1.00 1.25 C ATOM 0 H LEU A 118 -3.824 4.758 -2.243 1.00 0.29 H new ATOM 0 HA LEU A 118 -4.014 3.464 0.432 1.00 0.28 H new ATOM 0 HB2 LEU A 118 -4.174 1.849 -1.294 1.00 0.35 H new ATOM 0 HB3 LEU A 118 -2.966 2.651 -2.279 1.00 0.35 H new ATOM 0 HG LEU A 118 -2.367 0.434 -1.144 1.00 0.40 H new ATOM 0 HD11 LEU A 118 -0.032 1.139 -0.812 1.00 1.24 H new ATOM 0 HD12 LEU A 118 -0.741 1.843 -2.285 1.00 1.24 H new ATOM 0 HD13 LEU A 118 -0.552 2.840 -0.823 1.00 1.24 H new ATOM 0 HD21 LEU A 118 -1.441 0.615 1.127 1.00 1.25 H new ATOM 0 HD22 LEU A 118 -2.038 2.289 1.230 1.00 1.25 H new ATOM 0 HD23 LEU A 118 -3.190 0.940 1.089 1.00 1.25 H new ATOM 1826 N GLN A 119 -1.885 4.334 1.224 1.00 0.26 N ATOM 1827 CA GLN A 119 -0.629 4.834 1.749 1.00 0.27 C ATOM 1828 C GLN A 119 0.130 3.684 2.373 1.00 0.26 C ATOM 1829 O GLN A 119 -0.154 3.285 3.496 1.00 0.27 O ATOM 1830 CB GLN A 119 -0.883 5.891 2.810 1.00 0.30 C ATOM 1831 CG GLN A 119 0.267 6.866 3.005 1.00 0.37 C ATOM 1832 CD GLN A 119 0.274 7.975 1.964 1.00 0.46 C ATOM 1833 OE1 GLN A 119 0.749 9.078 2.225 1.00 0.63 O ATOM 1834 NE2 GLN A 119 -0.270 7.698 0.787 1.00 0.51 N ATOM 0 H GLN A 119 -2.510 3.947 1.931 1.00 0.26 H new ATOM 0 HA GLN A 119 -0.053 5.278 0.937 1.00 0.27 H new ATOM 0 HB2 GLN A 119 -1.778 6.452 2.542 1.00 0.30 H new ATOM 0 HB3 GLN A 119 -1.090 5.395 3.759 1.00 0.30 H new ATOM 0 HG2 GLN A 119 0.201 7.306 4.000 1.00 0.37 H new ATOM 0 HG3 GLN A 119 1.211 6.323 2.959 1.00 0.37 H new ATOM 0 HE21 GLN A 119 -0.654 6.770 0.608 1.00 0.51 H new ATOM 0 HE22 GLN A 119 -0.304 8.413 0.060 1.00 0.51 H new ATOM 1843 N ILE A 120 1.076 3.145 1.653 1.00 0.26 N ATOM 1844 CA ILE A 120 1.759 1.962 2.116 1.00 0.26 C ATOM 1845 C ILE A 120 3.233 2.264 2.401 1.00 0.23 C ATOM 1846 O ILE A 120 3.964 2.754 1.544 1.00 0.24 O ATOM 1847 CB ILE A 120 1.551 0.807 1.097 1.00 0.31 C ATOM 1848 CG1 ILE A 120 1.827 -0.577 1.710 1.00 0.45 C ATOM 1849 CG2 ILE A 120 2.369 1.023 -0.162 1.00 0.36 C ATOM 1850 CD1 ILE A 120 3.279 -0.870 2.008 1.00 0.81 C ATOM 0 H ILE A 120 1.391 3.500 0.750 1.00 0.26 H new ATOM 0 HA ILE A 120 1.333 1.633 3.064 1.00 0.26 H new ATOM 0 HB ILE A 120 0.497 0.824 0.820 1.00 0.31 H new ATOM 0 HG12 ILE A 120 1.257 -0.667 2.635 1.00 0.45 H new ATOM 0 HG13 ILE A 120 1.451 -1.340 1.028 1.00 0.45 H new ATOM 0 HG21 ILE A 120 2.199 0.197 -0.852 1.00 0.36 H new ATOM 0 HG22 ILE A 120 2.069 1.958 -0.635 1.00 0.36 H new ATOM 0 HG23 ILE A 120 3.427 1.070 0.095 1.00 0.36 H new ATOM 0 HD11 ILE A 120 3.368 -1.868 2.437 1.00 0.81 H new ATOM 0 HD12 ILE A 120 3.857 -0.818 1.086 1.00 0.81 H new ATOM 0 HD13 ILE A 120 3.660 -0.135 2.717 1.00 0.81 H new ATOM 1862 N GLY A 121 3.638 2.032 3.644 1.00 0.23 N ATOM 1863 CA GLY A 121 5.012 2.247 4.037 1.00 0.23 C ATOM 1864 C GLY A 121 5.877 1.047 3.746 1.00 0.22 C ATOM 1865 O GLY A 121 5.554 -0.071 4.152 1.00 0.26 O ATOM 0 H GLY A 121 3.030 1.696 4.391 1.00 0.23 H new ATOM 0 HA2 GLY A 121 5.408 3.116 3.511 1.00 0.23 H new ATOM 0 HA3 GLY A 121 5.053 2.474 5.102 1.00 0.23 H new ATOM 1869 N LEU A 122 6.975 1.281 3.052 1.00 0.23 N ATOM 1870 CA LEU A 122 7.876 0.217 2.650 1.00 0.25 C ATOM 1871 C LEU A 122 9.059 0.134 3.594 1.00 0.23 C ATOM 1872 O LEU A 122 10.026 0.882 3.460 1.00 0.30 O ATOM 1873 CB LEU A 122 8.385 0.457 1.228 1.00 0.30 C ATOM 1874 CG LEU A 122 7.465 0.014 0.086 1.00 0.45 C ATOM 1875 CD1 LEU A 122 6.006 0.227 0.418 1.00 1.20 C ATOM 1876 CD2 LEU A 122 7.812 0.780 -1.167 1.00 1.00 C ATOM 0 H LEU A 122 7.267 2.211 2.752 1.00 0.23 H new ATOM 0 HA LEU A 122 7.323 -0.722 2.684 1.00 0.25 H new ATOM 0 HB2 LEU A 122 8.583 1.523 1.112 1.00 0.30 H new ATOM 0 HB3 LEU A 122 9.339 -0.058 1.116 1.00 0.30 H new ATOM 0 HG LEU A 122 7.619 -1.054 -0.068 1.00 0.45 H new ATOM 0 HD11 LEU A 122 5.391 -0.101 -0.420 1.00 1.20 H new ATOM 0 HD12 LEU A 122 5.747 -0.350 1.306 1.00 1.20 H new ATOM 0 HD13 LEU A 122 5.827 1.285 0.608 1.00 1.20 H new ATOM 0 HD21 LEU A 122 7.157 0.465 -1.979 1.00 1.00 H new ATOM 0 HD22 LEU A 122 7.681 1.847 -0.989 1.00 1.00 H new ATOM 0 HD23 LEU A 122 8.849 0.582 -1.439 1.00 1.00 H new ATOM 1888 N THR A 123 8.961 -0.750 4.564 1.00 0.22 N ATOM 1889 CA THR A 123 10.077 -1.039 5.442 1.00 0.21 C ATOM 1890 C THR A 123 10.733 -2.332 5.003 1.00 0.23 C ATOM 1891 O THR A 123 10.291 -3.412 5.366 1.00 0.32 O ATOM 1892 CB THR A 123 9.622 -1.188 6.901 1.00 0.24 C ATOM 1893 OG1 THR A 123 9.004 0.025 7.353 1.00 0.26 O ATOM 1894 CG2 THR A 123 10.794 -1.542 7.810 1.00 0.26 C ATOM 0 H THR A 123 8.116 -1.284 4.766 1.00 0.22 H new ATOM 0 HA THR A 123 10.779 -0.207 5.382 1.00 0.21 H new ATOM 0 HB THR A 123 8.897 -2.001 6.946 1.00 0.24 H new ATOM 0 HG1 THR A 123 8.309 -0.187 8.010 1.00 0.26 H new ATOM 0 HG21 THR A 123 10.441 -1.641 8.837 1.00 0.26 H new ATOM 0 HG22 THR A 123 11.235 -2.485 7.485 1.00 0.26 H new ATOM 0 HG23 THR A 123 11.545 -0.754 7.759 1.00 0.26 H new ATOM 1902 N ILE A 124 11.773 -2.235 4.215 1.00 0.20 N ATOM 1903 CA ILE A 124 12.403 -3.426 3.683 1.00 0.21 C ATOM 1904 C ILE A 124 13.832 -3.546 4.178 1.00 0.24 C ATOM 1905 O ILE A 124 14.560 -2.552 4.237 1.00 0.32 O ATOM 1906 CB ILE A 124 12.353 -3.437 2.144 1.00 0.23 C ATOM 1907 CG1 ILE A 124 13.019 -2.180 1.568 1.00 0.25 C ATOM 1908 CG2 ILE A 124 10.906 -3.544 1.674 1.00 0.25 C ATOM 1909 CD1 ILE A 124 13.060 -2.156 0.057 1.00 0.98 C ATOM 0 H ILE A 124 12.201 -1.355 3.927 1.00 0.20 H new ATOM 0 HA ILE A 124 11.845 -4.291 4.042 1.00 0.21 H new ATOM 0 HB ILE A 124 12.906 -4.304 1.782 1.00 0.23 H new ATOM 0 HG12 ILE A 124 12.483 -1.300 1.923 1.00 0.25 H new ATOM 0 HG13 ILE A 124 14.037 -2.110 1.952 1.00 0.25 H new ATOM 0 HG21 ILE A 124 10.877 -3.551 0.584 1.00 0.25 H new ATOM 0 HG22 ILE A 124 10.467 -4.466 2.055 1.00 0.25 H new ATOM 0 HG23 ILE A 124 10.338 -2.691 2.046 1.00 0.25 H new ATOM 0 HD11 ILE A 124 13.544 -1.239 -0.279 1.00 0.98 H new ATOM 0 HD12 ILE A 124 13.622 -3.017 -0.305 1.00 0.98 H new ATOM 0 HD13 ILE A 124 12.044 -2.195 -0.335 1.00 0.98 H new ATOM 1921 N ASP A 125 14.232 -4.756 4.550 1.00 0.25 N ATOM 1922 CA ASP A 125 15.544 -4.963 5.113 1.00 0.30 C ATOM 1923 C ASP A 125 16.553 -5.058 3.998 1.00 0.30 C ATOM 1924 O ASP A 125 16.616 -6.070 3.295 1.00 0.31 O ATOM 1925 CB ASP A 125 15.575 -6.230 5.973 1.00 0.37 C ATOM 1926 CG ASP A 125 14.791 -6.080 7.263 1.00 0.91 C ATOM 1927 OD1 ASP A 125 13.548 -6.034 7.210 1.00 1.52 O ATOM 1928 OD2 ASP A 125 15.418 -6.021 8.342 1.00 1.44 O ATOM 0 H ASP A 125 13.664 -5.599 4.469 1.00 0.25 H new ATOM 0 HA ASP A 125 15.792 -4.119 5.756 1.00 0.30 H new ATOM 0 HB2 ASP A 125 15.168 -7.063 5.400 1.00 0.37 H new ATOM 0 HB3 ASP A 125 16.610 -6.480 6.208 1.00 0.37 H new ATOM 1933 N LEU A 126 17.328 -3.985 3.858 1.00 0.32 N ATOM 1934 CA LEU A 126 18.330 -3.843 2.812 1.00 0.33 C ATOM 1935 C LEU A 126 19.715 -3.980 3.410 1.00 0.37 C ATOM 1936 O LEU A 126 19.961 -3.477 4.491 1.00 0.55 O ATOM 1937 CB LEU A 126 18.221 -2.462 2.160 1.00 0.42 C ATOM 1938 CG LEU A 126 16.937 -2.187 1.384 1.00 0.38 C ATOM 1939 CD1 LEU A 126 16.698 -0.694 1.289 1.00 1.26 C ATOM 1940 CD2 LEU A 126 17.021 -2.785 -0.009 1.00 1.28 C ATOM 0 H LEU A 126 17.274 -3.178 4.480 1.00 0.32 H new ATOM 0 HA LEU A 126 18.162 -4.619 2.065 1.00 0.33 H new ATOM 0 HB2 LEU A 126 18.320 -1.706 2.939 1.00 0.42 H new ATOM 0 HB3 LEU A 126 19.065 -2.334 1.483 1.00 0.42 H new ATOM 0 HG LEU A 126 16.105 -2.650 1.915 1.00 0.38 H new ATOM 0 HD11 LEU A 126 15.779 -0.507 0.733 1.00 1.26 H new ATOM 0 HD12 LEU A 126 16.607 -0.276 2.291 1.00 1.26 H new ATOM 0 HD13 LEU A 126 17.535 -0.224 0.774 1.00 1.26 H new ATOM 0 HD21 LEU A 126 16.097 -2.580 -0.549 1.00 1.28 H new ATOM 0 HD22 LEU A 126 17.861 -2.342 -0.545 1.00 1.28 H new ATOM 0 HD23 LEU A 126 17.166 -3.863 0.066 1.00 1.28 H new ATOM 1952 N PRO A 127 20.643 -4.629 2.710 1.00 0.43 N ATOM 1953 CA PRO A 127 22.015 -4.811 3.205 1.00 0.52 C ATOM 1954 C PRO A 127 22.712 -3.494 3.579 1.00 0.60 C ATOM 1955 O PRO A 127 23.589 -3.472 4.442 1.00 0.74 O ATOM 1956 CB PRO A 127 22.730 -5.480 2.030 1.00 0.60 C ATOM 1957 CG PRO A 127 21.645 -6.154 1.262 1.00 0.73 C ATOM 1958 CD PRO A 127 20.433 -5.275 1.402 1.00 0.55 C ATOM 0 HA PRO A 127 22.028 -5.393 4.127 1.00 0.52 H new ATOM 0 HB2 PRO A 127 23.254 -4.747 1.416 1.00 0.60 H new ATOM 0 HB3 PRO A 127 23.475 -6.197 2.376 1.00 0.60 H new ATOM 0 HG2 PRO A 127 21.923 -6.272 0.215 1.00 0.73 H new ATOM 0 HG3 PRO A 127 21.451 -7.152 1.654 1.00 0.73 H new ATOM 0 HD2 PRO A 127 20.369 -4.544 0.596 1.00 0.55 H new ATOM 0 HD3 PRO A 127 19.510 -5.854 1.381 1.00 0.55 H new ATOM 1966 N VAL A 128 22.316 -2.397 2.934 1.00 0.60 N ATOM 1967 CA VAL A 128 22.971 -1.104 3.151 1.00 0.72 C ATOM 1968 C VAL A 128 22.592 -0.470 4.495 1.00 0.71 C ATOM 1969 O VAL A 128 23.457 -0.206 5.326 1.00 0.82 O ATOM 1970 CB VAL A 128 22.646 -0.111 2.015 1.00 0.83 C ATOM 1971 CG1 VAL A 128 23.366 1.213 2.227 1.00 1.12 C ATOM 1972 CG2 VAL A 128 23.012 -0.704 0.667 1.00 1.02 C ATOM 0 H VAL A 128 21.550 -2.375 2.261 1.00 0.60 H new ATOM 0 HA VAL A 128 24.041 -1.310 3.160 1.00 0.72 H new ATOM 0 HB VAL A 128 21.573 0.080 2.030 1.00 0.83 H new ATOM 0 HG11 VAL A 128 23.120 1.895 1.413 1.00 1.12 H new ATOM 0 HG12 VAL A 128 23.052 1.651 3.175 1.00 1.12 H new ATOM 0 HG13 VAL A 128 24.442 1.043 2.245 1.00 1.12 H new ATOM 0 HG21 VAL A 128 22.776 0.011 -0.121 1.00 1.02 H new ATOM 0 HG22 VAL A 128 24.078 -0.928 0.646 1.00 1.02 H new ATOM 0 HG23 VAL A 128 22.445 -1.621 0.507 1.00 1.02 H new ATOM 1982 N VAL A 129 21.301 -0.243 4.711 1.00 0.62 N ATOM 1983 CA VAL A 129 20.837 0.455 5.918 1.00 0.63 C ATOM 1984 C VAL A 129 20.350 -0.557 6.942 1.00 0.55 C ATOM 1985 O VAL A 129 19.931 -0.219 8.048 1.00 0.55 O ATOM 1986 CB VAL A 129 19.673 1.418 5.605 1.00 0.69 C ATOM 1987 CG1 VAL A 129 19.731 2.640 6.505 1.00 1.35 C ATOM 1988 CG2 VAL A 129 19.663 1.817 4.138 1.00 1.26 C ATOM 0 H VAL A 129 20.557 -0.528 4.074 1.00 0.62 H new ATOM 0 HA VAL A 129 21.679 1.028 6.307 1.00 0.63 H new ATOM 0 HB VAL A 129 18.740 0.892 5.806 1.00 0.69 H new ATOM 0 HG11 VAL A 129 18.901 3.306 6.268 1.00 1.35 H new ATOM 0 HG12 VAL A 129 19.660 2.328 7.547 1.00 1.35 H new ATOM 0 HG13 VAL A 129 20.674 3.164 6.347 1.00 1.35 H new ATOM 0 HG21 VAL A 129 18.831 2.496 3.951 1.00 1.26 H new ATOM 0 HG22 VAL A 129 20.600 2.315 3.890 1.00 1.26 H new ATOM 0 HG23 VAL A 129 19.551 0.927 3.519 1.00 1.26 H new ATOM 1998 N GLY A 130 20.405 -1.803 6.523 1.00 0.53 N ATOM 1999 CA GLY A 130 19.825 -2.901 7.283 1.00 0.55 C ATOM 2000 C GLY A 130 18.327 -2.955 7.086 1.00 0.58 C ATOM 2001 O GLY A 130 17.721 -4.022 7.103 1.00 1.05 O ATOM 0 H GLY A 130 20.850 -2.088 5.650 1.00 0.53 H new ATOM 0 HA2 GLY A 130 20.272 -3.844 6.968 1.00 0.55 H new ATOM 0 HA3 GLY A 130 20.053 -2.778 8.342 1.00 0.55 H new ATOM 2005 N GLU A 131 17.750 -1.784 6.876 1.00 0.49 N ATOM 2006 CA GLU A 131 16.343 -1.626 6.594 1.00 0.46 C ATOM 2007 C GLU A 131 16.116 -0.187 6.147 1.00 0.49 C ATOM 2008 O GLU A 131 16.805 0.721 6.612 1.00 0.75 O ATOM 2009 CB GLU A 131 15.506 -1.928 7.837 1.00 0.59 C ATOM 2010 CG GLU A 131 15.641 -0.869 8.917 1.00 0.73 C ATOM 2011 CD GLU A 131 14.844 -1.184 10.156 1.00 0.93 C ATOM 2012 OE1 GLU A 131 15.389 -1.842 11.063 1.00 1.01 O ATOM 2013 OE2 GLU A 131 13.676 -0.751 10.239 1.00 1.16 O ATOM 0 H GLU A 131 18.261 -0.902 6.898 1.00 0.49 H new ATOM 0 HA GLU A 131 16.039 -2.322 5.813 1.00 0.46 H new ATOM 0 HB2 GLU A 131 14.458 -2.014 7.550 1.00 0.59 H new ATOM 0 HB3 GLU A 131 15.806 -2.894 8.244 1.00 0.59 H new ATOM 0 HG2 GLU A 131 16.692 -0.764 9.185 1.00 0.73 H new ATOM 0 HG3 GLU A 131 15.316 0.092 8.518 1.00 0.73 H new ATOM 2020 N PHE A 132 15.199 0.024 5.230 1.00 0.39 N ATOM 2021 CA PHE A 132 14.873 1.372 4.801 1.00 0.48 C ATOM 2022 C PHE A 132 13.362 1.520 4.736 1.00 0.35 C ATOM 2023 O PHE A 132 12.677 0.631 4.233 1.00 0.33 O ATOM 2024 CB PHE A 132 15.515 1.672 3.440 1.00 0.69 C ATOM 2025 CG PHE A 132 15.676 3.137 3.154 1.00 1.02 C ATOM 2026 CD1 PHE A 132 16.327 3.966 4.050 1.00 1.22 C ATOM 2027 CD2 PHE A 132 15.159 3.687 1.992 1.00 1.31 C ATOM 2028 CE1 PHE A 132 16.465 5.315 3.792 1.00 1.66 C ATOM 2029 CE2 PHE A 132 15.293 5.038 1.730 1.00 1.74 C ATOM 2030 CZ PHE A 132 15.997 5.844 2.615 1.00 1.91 C ATOM 0 H PHE A 132 14.667 -0.713 4.767 1.00 0.39 H new ATOM 0 HA PHE A 132 15.270 2.091 5.518 1.00 0.48 H new ATOM 0 HB2 PHE A 132 16.493 1.194 3.397 1.00 0.69 H new ATOM 0 HB3 PHE A 132 14.906 1.223 2.655 1.00 0.69 H new ATOM 0 HD1 PHE A 132 16.732 3.553 4.962 1.00 1.22 H new ATOM 0 HD2 PHE A 132 14.646 3.054 1.283 1.00 1.31 H new ATOM 0 HE1 PHE A 132 16.943 5.956 4.518 1.00 1.66 H new ATOM 0 HE2 PHE A 132 14.852 5.464 0.841 1.00 1.74 H new ATOM 0 HZ PHE A 132 16.176 6.883 2.378 1.00 1.91 H new ATOM 2040 N THR A 133 12.848 2.622 5.267 1.00 0.37 N ATOM 2041 CA THR A 133 11.406 2.825 5.345 1.00 0.32 C ATOM 2042 C THR A 133 10.966 4.058 4.561 1.00 0.31 C ATOM 2043 O THR A 133 11.188 5.194 4.982 1.00 0.36 O ATOM 2044 CB THR A 133 10.930 2.961 6.809 1.00 0.44 C ATOM 2045 OG1 THR A 133 11.265 1.779 7.552 1.00 1.19 O ATOM 2046 CG2 THR A 133 9.426 3.190 6.874 1.00 1.17 C ATOM 0 H THR A 133 13.405 3.386 5.649 1.00 0.37 H new ATOM 0 HA THR A 133 10.948 1.941 4.901 1.00 0.32 H new ATOM 0 HB THR A 133 11.435 3.822 7.247 1.00 0.44 H new ATOM 0 HG1 THR A 133 10.506 1.160 7.541 1.00 1.19 H new ATOM 0 HG21 THR A 133 9.117 3.282 7.915 1.00 1.17 H new ATOM 0 HG22 THR A 133 9.174 4.105 6.338 1.00 1.17 H new ATOM 0 HG23 THR A 133 8.909 2.347 6.415 1.00 1.17 H new ATOM 2054 N ILE A 134 10.363 3.824 3.407 1.00 0.28 N ATOM 2055 CA ILE A 134 9.766 4.893 2.620 1.00 0.31 C ATOM 2056 C ILE A 134 8.324 4.541 2.280 1.00 0.28 C ATOM 2057 O ILE A 134 8.038 3.422 1.879 1.00 0.26 O ATOM 2058 CB ILE A 134 10.560 5.173 1.320 1.00 0.36 C ATOM 2059 CG1 ILE A 134 10.645 3.922 0.440 1.00 0.41 C ATOM 2060 CG2 ILE A 134 11.949 5.695 1.645 1.00 0.41 C ATOM 2061 CD1 ILE A 134 9.661 3.918 -0.713 1.00 0.50 C ATOM 0 H ILE A 134 10.273 2.897 2.991 1.00 0.28 H new ATOM 0 HA ILE A 134 9.794 5.800 3.223 1.00 0.31 H new ATOM 0 HB ILE A 134 10.024 5.939 0.759 1.00 0.36 H new ATOM 0 HG12 ILE A 134 11.656 3.836 0.043 1.00 0.41 H new ATOM 0 HG13 ILE A 134 10.470 3.042 1.058 1.00 0.41 H new ATOM 0 HG21 ILE A 134 12.492 5.886 0.719 1.00 0.41 H new ATOM 0 HG22 ILE A 134 11.866 6.621 2.214 1.00 0.41 H new ATOM 0 HG23 ILE A 134 12.488 4.953 2.235 1.00 0.41 H new ATOM 0 HD11 ILE A 134 9.781 3.001 -1.290 1.00 0.50 H new ATOM 0 HD12 ILE A 134 8.644 3.971 -0.324 1.00 0.50 H new ATOM 0 HD13 ILE A 134 9.849 4.779 -1.355 1.00 0.50 H new ATOM 2073 N PRO A 135 7.386 5.465 2.468 1.00 0.30 N ATOM 2074 CA PRO A 135 5.998 5.229 2.105 1.00 0.29 C ATOM 2075 C PRO A 135 5.725 5.536 0.634 1.00 0.28 C ATOM 2076 O PRO A 135 6.469 6.281 -0.008 1.00 0.31 O ATOM 2077 CB PRO A 135 5.240 6.195 3.013 1.00 0.35 C ATOM 2078 CG PRO A 135 6.182 7.334 3.233 1.00 0.45 C ATOM 2079 CD PRO A 135 7.584 6.793 3.069 1.00 0.39 C ATOM 0 HA PRO A 135 5.705 4.186 2.229 1.00 0.29 H new ATOM 0 HB2 PRO A 135 4.314 6.532 2.546 1.00 0.35 H new ATOM 0 HB3 PRO A 135 4.967 5.720 3.955 1.00 0.35 H new ATOM 0 HG2 PRO A 135 5.992 8.134 2.517 1.00 0.45 H new ATOM 0 HG3 PRO A 135 6.047 7.758 4.228 1.00 0.45 H new ATOM 0 HD2 PRO A 135 8.187 7.435 2.427 1.00 0.39 H new ATOM 0 HD3 PRO A 135 8.100 6.725 4.027 1.00 0.39 H new ATOM 2087 N ILE A 136 4.651 4.970 0.113 1.00 0.26 N ATOM 2088 CA ILE A 136 4.258 5.179 -1.265 1.00 0.27 C ATOM 2089 C ILE A 136 2.740 5.058 -1.351 1.00 0.26 C ATOM 2090 O ILE A 136 2.099 4.566 -0.421 1.00 0.26 O ATOM 2091 CB ILE A 136 4.981 4.194 -2.228 1.00 0.28 C ATOM 2092 CG1 ILE A 136 4.756 4.588 -3.701 1.00 0.44 C ATOM 2093 CG2 ILE A 136 4.548 2.760 -1.969 1.00 0.33 C ATOM 2094 CD1 ILE A 136 3.748 3.738 -4.446 1.00 0.32 C ATOM 0 H ILE A 136 4.028 4.353 0.635 1.00 0.26 H new ATOM 0 HA ILE A 136 4.560 6.176 -1.586 1.00 0.27 H new ATOM 0 HB ILE A 136 6.051 4.259 -2.029 1.00 0.28 H new ATOM 0 HG12 ILE A 136 4.429 5.627 -3.737 1.00 0.44 H new ATOM 0 HG13 ILE A 136 5.710 4.535 -4.225 1.00 0.44 H new ATOM 0 HG21 ILE A 136 5.069 2.093 -2.656 1.00 0.33 H new ATOM 0 HG22 ILE A 136 4.792 2.486 -0.943 1.00 0.33 H new ATOM 0 HG23 ILE A 136 3.473 2.671 -2.123 1.00 0.33 H new ATOM 0 HD11 ILE A 136 3.660 4.094 -5.473 1.00 0.32 H new ATOM 0 HD12 ILE A 136 4.079 2.700 -4.449 1.00 0.32 H new ATOM 0 HD13 ILE A 136 2.778 3.808 -3.954 1.00 0.32 H new ATOM 2106 N SER A 137 2.163 5.514 -2.440 1.00 0.28 N ATOM 2107 CA SER A 137 0.729 5.666 -2.510 1.00 0.30 C ATOM 2108 C SER A 137 0.173 5.100 -3.798 1.00 0.30 C ATOM 2109 O SER A 137 0.853 5.097 -4.823 1.00 0.32 O ATOM 2110 CB SER A 137 0.375 7.144 -2.400 1.00 0.34 C ATOM 2111 OG SER A 137 1.301 7.831 -1.571 1.00 0.88 O ATOM 0 H SER A 137 2.664 5.785 -3.286 1.00 0.28 H new ATOM 0 HA SER A 137 0.284 5.111 -1.684 1.00 0.30 H new ATOM 0 HB2 SER A 137 0.367 7.594 -3.393 1.00 0.34 H new ATOM 0 HB3 SER A 137 -0.631 7.251 -1.994 1.00 0.34 H new ATOM 0 HG SER A 137 1.053 8.778 -1.518 1.00 0.88 H new ATOM 2117 N SER A 138 -1.058 4.611 -3.749 1.00 0.31 N ATOM 2118 CA SER A 138 -1.739 4.168 -4.942 1.00 0.34 C ATOM 2119 C SER A 138 -3.217 4.503 -4.816 1.00 0.34 C ATOM 2120 O SER A 138 -3.951 3.859 -4.068 1.00 0.35 O ATOM 2121 CB SER A 138 -1.531 2.665 -5.150 1.00 0.40 C ATOM 2122 OG SER A 138 -2.054 2.237 -6.396 1.00 0.96 O ATOM 0 H SER A 138 -1.601 4.514 -2.891 1.00 0.31 H new ATOM 0 HA SER A 138 -1.329 4.679 -5.813 1.00 0.34 H new ATOM 0 HB2 SER A 138 -0.467 2.434 -5.102 1.00 0.40 H new ATOM 0 HB3 SER A 138 -2.014 2.114 -4.343 1.00 0.40 H new ATOM 0 HG SER A 138 -1.904 1.274 -6.500 1.00 0.96 H new ATOM 2128 N LYS A 139 -3.635 5.542 -5.513 1.00 0.36 N ATOM 2129 CA LYS A 139 -5.001 6.018 -5.426 1.00 0.38 C ATOM 2130 C LYS A 139 -5.730 5.812 -6.743 1.00 0.41 C ATOM 2131 O LYS A 139 -5.130 5.924 -7.811 1.00 0.47 O ATOM 2132 CB LYS A 139 -5.004 7.491 -5.021 1.00 0.44 C ATOM 2133 CG LYS A 139 -4.122 8.383 -5.878 1.00 0.57 C ATOM 2134 CD LYS A 139 -3.740 9.647 -5.124 1.00 0.92 C ATOM 2135 CE LYS A 139 -4.971 10.414 -4.657 1.00 1.35 C ATOM 2136 NZ LYS A 139 -4.626 11.555 -3.767 1.00 1.76 N ATOM 0 H LYS A 139 -3.043 6.075 -6.150 1.00 0.36 H new ATOM 0 HA LYS A 139 -5.530 5.443 -4.666 1.00 0.38 H new ATOM 0 HB2 LYS A 139 -6.027 7.864 -5.064 1.00 0.44 H new ATOM 0 HB3 LYS A 139 -4.679 7.570 -3.983 1.00 0.44 H new ATOM 0 HG2 LYS A 139 -3.222 7.841 -6.169 1.00 0.57 H new ATOM 0 HG3 LYS A 139 -4.646 8.646 -6.797 1.00 0.57 H new ATOM 0 HD2 LYS A 139 -3.125 9.386 -4.263 1.00 0.92 H new ATOM 0 HD3 LYS A 139 -3.134 10.286 -5.767 1.00 0.92 H new ATOM 0 HE2 LYS A 139 -5.515 10.786 -5.525 1.00 1.35 H new ATOM 0 HE3 LYS A 139 -5.640 9.735 -4.129 1.00 1.35 H new ATOM 0 HZ1 LYS A 139 -5.461 12.162 -3.641 1.00 1.76 H new ATOM 0 HZ2 LYS A 139 -4.318 11.193 -2.842 1.00 1.76 H new ATOM 0 HZ3 LYS A 139 -3.857 12.109 -4.195 1.00 1.76 H new ATOM 2150 N GLY A 140 -7.018 5.499 -6.674 1.00 0.42 N ATOM 2151 CA GLY A 140 -7.780 5.252 -7.872 1.00 0.50 C ATOM 2152 C GLY A 140 -9.266 5.485 -7.652 1.00 0.46 C ATOM 2153 O GLY A 140 -9.810 5.142 -6.605 1.00 0.47 O ATOM 0 H GLY A 140 -7.545 5.413 -5.805 1.00 0.42 H new ATOM 0 HA2 GLY A 140 -7.424 5.903 -8.670 1.00 0.50 H new ATOM 0 HA3 GLY A 140 -7.618 4.226 -8.201 1.00 0.50 H new ATOM 2157 N GLU A 141 -9.901 6.085 -8.639 1.00 0.44 N ATOM 2158 CA GLU A 141 -11.336 6.353 -8.601 1.00 0.42 C ATOM 2159 C GLU A 141 -12.043 5.389 -9.542 1.00 0.43 C ATOM 2160 O GLU A 141 -11.676 5.292 -10.717 1.00 0.48 O ATOM 2161 CB GLU A 141 -11.621 7.801 -9.013 1.00 0.45 C ATOM 2162 CG GLU A 141 -10.604 8.793 -8.462 1.00 0.52 C ATOM 2163 CD GLU A 141 -10.758 10.190 -9.029 1.00 1.24 C ATOM 2164 OE1 GLU A 141 -10.372 10.416 -10.197 1.00 1.51 O ATOM 2165 OE2 GLU A 141 -11.288 11.066 -8.315 1.00 2.10 O ATOM 0 H GLU A 141 -9.442 6.403 -9.493 1.00 0.44 H new ATOM 0 HA GLU A 141 -11.705 6.211 -7.585 1.00 0.42 H new ATOM 0 HB2 GLU A 141 -11.631 7.867 -10.101 1.00 0.45 H new ATOM 0 HB3 GLU A 141 -12.616 8.081 -8.668 1.00 0.45 H new ATOM 0 HG2 GLU A 141 -10.701 8.836 -7.377 1.00 0.52 H new ATOM 0 HG3 GLU A 141 -9.599 8.430 -8.678 1.00 0.52 H new ATOM 2172 N ILE A 142 -13.049 4.668 -9.049 1.00 0.42 N ATOM 2173 CA ILE A 142 -13.733 3.667 -9.855 1.00 0.47 C ATOM 2174 C ILE A 142 -15.234 3.800 -9.625 1.00 0.46 C ATOM 2175 O ILE A 142 -15.661 4.591 -8.780 1.00 0.42 O ATOM 2176 CB ILE A 142 -13.283 2.201 -9.560 1.00 0.54 C ATOM 2177 CG1 ILE A 142 -13.960 1.622 -8.306 1.00 0.76 C ATOM 2178 CG2 ILE A 142 -11.766 2.107 -9.432 1.00 0.60 C ATOM 2179 CD1 ILE A 142 -13.557 2.280 -7.008 1.00 0.67 C ATOM 0 H ILE A 142 -13.405 4.760 -8.098 1.00 0.42 H new ATOM 0 HA ILE A 142 -13.469 3.858 -10.895 1.00 0.47 H new ATOM 0 HB ILE A 142 -13.602 1.600 -10.412 1.00 0.54 H new ATOM 0 HG12 ILE A 142 -15.040 1.709 -8.421 1.00 0.76 H new ATOM 0 HG13 ILE A 142 -13.730 0.558 -8.245 1.00 0.76 H new ATOM 0 HG21 ILE A 142 -11.481 1.075 -9.227 1.00 0.60 H new ATOM 0 HG22 ILE A 142 -11.301 2.433 -10.363 1.00 0.60 H new ATOM 0 HG23 ILE A 142 -11.430 2.745 -8.615 1.00 0.60 H new ATOM 0 HD11 ILE A 142 -14.085 1.806 -6.180 1.00 0.67 H new ATOM 0 HD12 ILE A 142 -12.482 2.171 -6.863 1.00 0.67 H new ATOM 0 HD13 ILE A 142 -13.813 3.339 -7.042 1.00 0.67 H new ATOM 2191 N LYS A 143 -16.028 3.055 -10.376 1.00 0.53 N ATOM 2192 CA LYS A 143 -17.477 3.179 -10.293 1.00 0.57 C ATOM 2193 C LYS A 143 -18.016 2.672 -8.949 1.00 0.54 C ATOM 2194 O LYS A 143 -17.270 2.143 -8.125 1.00 0.57 O ATOM 2195 CB LYS A 143 -18.148 2.445 -11.456 1.00 0.70 C ATOM 2196 CG LYS A 143 -17.586 2.825 -12.821 1.00 1.44 C ATOM 2197 CD LYS A 143 -17.528 4.335 -13.014 1.00 2.04 C ATOM 2198 CE LYS A 143 -16.879 4.700 -14.340 1.00 2.74 C ATOM 2199 NZ LYS A 143 -16.718 6.172 -14.508 1.00 3.53 N ATOM 0 H LYS A 143 -15.698 2.361 -11.047 1.00 0.53 H new ATOM 0 HA LYS A 143 -17.720 4.239 -10.363 1.00 0.57 H new ATOM 0 HB2 LYS A 143 -18.034 1.371 -11.311 1.00 0.70 H new ATOM 0 HB3 LYS A 143 -19.217 2.657 -11.440 1.00 0.70 H new ATOM 0 HG2 LYS A 143 -16.585 2.407 -12.930 1.00 1.44 H new ATOM 0 HG3 LYS A 143 -18.203 2.383 -13.603 1.00 1.44 H new ATOM 0 HD2 LYS A 143 -18.536 4.747 -12.975 1.00 2.04 H new ATOM 0 HD3 LYS A 143 -16.967 4.787 -12.196 1.00 2.04 H new ATOM 0 HE2 LYS A 143 -15.902 4.220 -14.408 1.00 2.74 H new ATOM 0 HE3 LYS A 143 -17.484 4.308 -15.158 1.00 2.74 H new ATOM 0 HZ1 LYS A 143 -16.241 6.368 -15.411 1.00 3.53 H new ATOM 0 HZ2 LYS A 143 -17.654 6.626 -14.505 1.00 3.53 H new ATOM 0 HZ3 LYS A 143 -16.147 6.550 -13.725 1.00 3.53 H new ATOM 2213 N LEU A 144 -19.323 2.830 -8.758 1.00 0.60 N ATOM 2214 CA LEU A 144 -19.975 2.581 -7.472 1.00 0.66 C ATOM 2215 C LEU A 144 -19.770 1.139 -6.990 1.00 0.60 C ATOM 2216 O LEU A 144 -20.011 0.182 -7.733 1.00 0.63 O ATOM 2217 CB LEU A 144 -21.472 2.895 -7.601 1.00 0.83 C ATOM 2218 CG LEU A 144 -22.257 2.985 -6.290 1.00 0.69 C ATOM 2219 CD1 LEU A 144 -21.813 4.190 -5.467 1.00 1.21 C ATOM 2220 CD2 LEU A 144 -23.749 3.052 -6.574 1.00 1.23 C ATOM 0 H LEU A 144 -19.963 3.135 -9.491 1.00 0.60 H new ATOM 0 HA LEU A 144 -19.519 3.231 -6.725 1.00 0.66 H new ATOM 0 HB2 LEU A 144 -21.580 3.841 -8.131 1.00 0.83 H new ATOM 0 HB3 LEU A 144 -21.931 2.127 -8.224 1.00 0.83 H new ATOM 0 HG LEU A 144 -22.052 2.087 -5.707 1.00 0.69 H new ATOM 0 HD11 LEU A 144 -22.387 4.230 -4.541 1.00 1.21 H new ATOM 0 HD12 LEU A 144 -20.752 4.100 -5.233 1.00 1.21 H new ATOM 0 HD13 LEU A 144 -21.982 5.103 -6.038 1.00 1.21 H new ATOM 0 HD21 LEU A 144 -24.296 3.116 -5.633 1.00 1.23 H new ATOM 0 HD22 LEU A 144 -23.965 3.932 -7.180 1.00 1.23 H new ATOM 0 HD23 LEU A 144 -24.057 2.156 -7.113 1.00 1.23 H new ATOM 2232 N PRO A 145 -19.315 0.985 -5.729 1.00 0.61 N ATOM 2233 CA PRO A 145 -19.084 -0.319 -5.086 1.00 0.64 C ATOM 2234 C PRO A 145 -20.369 -1.118 -4.888 1.00 0.66 C ATOM 2235 O PRO A 145 -21.459 -0.650 -5.209 1.00 0.65 O ATOM 2236 CB PRO A 145 -18.472 0.045 -3.728 1.00 0.71 C ATOM 2237 CG PRO A 145 -18.913 1.441 -3.474 1.00 0.69 C ATOM 2238 CD PRO A 145 -18.979 2.094 -4.823 1.00 0.67 C ATOM 0 HA PRO A 145 -18.447 -0.956 -5.700 1.00 0.64 H new ATOM 0 HB2 PRO A 145 -18.820 -0.628 -2.944 1.00 0.71 H new ATOM 0 HB3 PRO A 145 -17.385 -0.028 -3.752 1.00 0.71 H new ATOM 0 HG2 PRO A 145 -19.885 1.462 -2.980 1.00 0.69 H new ATOM 0 HG3 PRO A 145 -18.212 1.961 -2.821 1.00 0.69 H new ATOM 0 HD2 PRO A 145 -19.735 2.878 -4.852 1.00 0.67 H new ATOM 0 HD3 PRO A 145 -18.029 2.557 -5.091 1.00 0.67 H new