USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.897 F(o=-1.6,f=-0.9) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 164:sc= -0.78 (180deg=-1.23) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= -0.99 (180deg=-2.56!) USER MOD Single : A 48 ASN : amide:sc= -0.825 K(o=-0.82,f=-8.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -86:sc= 1.11 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -144:sc= 0.922 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00447) USER MOD Single : A 90 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.36) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -121:sc= -1.19 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= -0.547 (180deg=-0.832) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.269 20.414 -5.274 1.00 0.00 N ATOM 385 CA ASN A 26 24.440 21.370 -4.549 1.00 0.00 C ATOM 386 C ASN A 26 23.004 21.346 -5.064 1.00 0.00 C ATOM 387 O ASN A 26 22.268 22.323 -4.929 1.00 0.00 O ATOM 388 CB ASN A 26 25.017 22.781 -4.682 1.00 0.00 C ATOM 389 CG ASN A 26 25.589 23.045 -6.062 1.00 0.00 C ATOM 390 OD1 ASN A 26 24.735 22.982 -7.077 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 26.783 23.301 -6.212 1.00 0.00 N flip ATOM 0 HA ASN A 26 24.435 21.084 -3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 26 24.236 23.511 -4.470 1.00 0.00 H new ATOM 0 HB3 ASN A 26 25.798 22.923 -3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.402 23.339 -5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 26 27.154 23.475 -7.146 1.00 0.00 H new ATOM 398 N VAL A 27 22.612 20.221 -5.653 1.00 0.00 N ATOM 399 CA VAL A 27 21.264 20.067 -6.187 1.00 0.00 C ATOM 400 C VAL A 27 20.311 19.529 -5.126 1.00 0.00 C ATOM 401 O VAL A 27 20.608 18.542 -4.453 1.00 0.00 O ATOM 402 CB VAL A 27 21.246 19.124 -7.404 1.00 0.00 C ATOM 403 CG1 VAL A 27 19.817 18.856 -7.851 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.069 19.708 -8.542 1.00 0.00 C ATOM 0 H VAL A 27 23.209 19.403 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 27 20.933 21.057 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 27 21.694 18.174 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.824 18.188 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.262 18.392 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.339 19.796 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.045 19.029 -9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.653 20.672 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.100 19.843 -8.214 1.00 0.00 H new ATOM 414 N GLY A 28 19.162 20.183 -4.982 1.00 0.00 N ATOM 415 CA GLY A 28 18.182 19.755 -4.001 1.00 0.00 C ATOM 416 C GLY A 28 17.147 18.816 -4.587 1.00 0.00 C ATOM 417 O GLY A 28 16.347 19.213 -5.433 1.00 0.00 O ATOM 0 H GLY A 28 18.893 21.002 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.692 19.259 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.681 20.630 -3.587 1.00 0.00 H new ATOM 421 N SER A 29 17.164 17.565 -4.138 1.00 0.00 N ATOM 422 CA SER A 29 16.223 16.564 -4.627 1.00 0.00 C ATOM 423 C SER A 29 15.064 16.384 -3.652 1.00 0.00 C ATOM 424 O SER A 29 15.262 15.998 -2.500 1.00 0.00 O ATOM 425 CB SER A 29 16.935 15.227 -4.844 1.00 0.00 C ATOM 426 OG SER A 29 18.184 15.200 -4.175 1.00 0.00 O ATOM 0 H SER A 29 17.819 17.220 -3.436 1.00 0.00 H new ATOM 0 HA SER A 29 15.822 16.913 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.307 14.414 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.086 15.061 -5.911 1.00 0.00 H new ATOM 0 HG SER A 29 18.618 14.335 -4.328 1.00 0.00 H new ATOM 432 N GLY A 30 13.853 16.668 -4.122 1.00 0.00 N ATOM 433 CA GLY A 30 12.680 16.533 -3.279 1.00 0.00 C ATOM 434 C GLY A 30 11.629 15.628 -3.890 1.00 0.00 C ATOM 435 O GLY A 30 10.984 15.990 -4.873 1.00 0.00 O ATOM 0 H GLY A 30 13.664 16.989 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.977 16.136 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.248 17.518 -3.102 1.00 0.00 H new ATOM 439 N MET A 31 11.456 14.445 -3.307 1.00 0.00 N ATOM 440 CA MET A 31 10.476 13.486 -3.802 1.00 0.00 C ATOM 441 C MET A 31 9.474 13.122 -2.711 1.00 0.00 C ATOM 442 O MET A 31 9.856 12.716 -1.613 1.00 0.00 O ATOM 443 CB MET A 31 11.177 12.224 -4.309 1.00 0.00 C ATOM 444 CG MET A 31 10.223 11.187 -4.880 1.00 0.00 C ATOM 445 SD MET A 31 10.073 9.728 -3.830 1.00 0.00 S ATOM 446 CE MET A 31 8.353 9.301 -4.089 1.00 0.00 C ATOM 0 H MET A 31 11.982 14.129 -2.492 1.00 0.00 H new ATOM 0 HA MET A 31 9.936 13.949 -4.628 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.899 12.503 -5.076 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.739 11.776 -3.489 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.239 11.638 -5.012 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.570 10.885 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.106 8.415 -3.504 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.721 10.131 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.184 9.096 -5.146 1.00 0.00 H new ATOM 456 N VAL A 32 8.190 13.270 -3.020 1.00 0.00 N ATOM 457 CA VAL A 32 7.132 12.956 -2.066 1.00 0.00 C ATOM 458 C VAL A 32 5.913 12.371 -2.770 1.00 0.00 C ATOM 459 O VAL A 32 5.712 12.583 -3.965 1.00 0.00 O ATOM 460 CB VAL A 32 6.704 14.204 -1.272 1.00 0.00 C ATOM 461 CG1 VAL A 32 7.905 14.841 -0.590 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.007 15.202 -2.184 1.00 0.00 C ATOM 0 H VAL A 32 7.857 13.605 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 32 7.538 12.217 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 32 5.998 13.898 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.583 15.721 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.357 14.124 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.637 15.135 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.711 16.078 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.688 15.505 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.122 14.739 -2.620 1.00 0.00 H new ATOM 472 N GLY A 33 5.100 11.635 -2.019 1.00 0.00 N ATOM 473 CA GLY A 33 3.909 11.031 -2.588 1.00 0.00 C ATOM 474 C GLY A 33 3.112 10.245 -1.566 1.00 0.00 C ATOM 475 O GLY A 33 3.356 10.351 -0.364 1.00 0.00 O ATOM 0 H GLY A 33 5.244 11.446 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.278 11.811 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.196 10.371 -3.406 1.00 0.00 H new ATOM 479 N ALA A 34 2.157 9.454 -2.043 1.00 0.00 N ATOM 480 CA ALA A 34 1.322 8.647 -1.162 1.00 0.00 C ATOM 481 C ALA A 34 1.047 7.276 -1.771 1.00 0.00 C ATOM 482 O ALA A 34 1.009 7.107 -2.989 1.00 0.00 O ATOM 483 CB ALA A 34 0.014 9.367 -0.868 1.00 0.00 C ATOM 0 H ALA A 34 1.942 9.355 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 34 1.861 8.499 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.599 8.753 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.224 10.320 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.521 9.545 -1.801 1.00 0.00 H new ATOM 489 N PRO A 35 0.852 6.271 -0.903 1.00 0.00 N ATOM 490 CA PRO A 35 0.578 4.897 -1.333 1.00 0.00 C ATOM 491 C PRO A 35 -0.802 4.751 -1.963 1.00 0.00 C ATOM 492 O PRO A 35 -0.945 4.180 -3.044 1.00 0.00 O ATOM 493 CB PRO A 35 0.659 4.095 -0.031 1.00 0.00 C ATOM 494 CG PRO A 35 0.343 5.081 1.040 1.00 0.00 C ATOM 495 CD PRO A 35 0.884 6.400 0.563 1.00 0.00 C ATOM 0 HA PRO A 35 1.277 4.563 -2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.051 3.268 -0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.650 3.664 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.732 5.139 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.801 4.790 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.271 7.234 0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.896 6.576 0.929 1.00 0.00 H new ATOM 503 N ALA A 36 -1.817 5.271 -1.281 1.00 0.00 N ATOM 504 CA ALA A 36 -3.186 5.201 -1.776 1.00 0.00 C ATOM 505 C ALA A 36 -3.453 6.289 -2.811 1.00 0.00 C ATOM 506 O ALA A 36 -4.462 6.255 -3.516 1.00 0.00 O ATOM 507 CB ALA A 36 -4.171 5.315 -0.622 1.00 0.00 C ATOM 0 H ALA A 36 -1.717 5.746 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.321 4.234 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.190 5.261 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.005 4.498 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.025 6.267 -0.112 1.00 0.00 H new ATOM 513 N CYS A 37 -2.543 7.253 -2.897 1.00 0.00 N ATOM 514 CA CYS A 37 -2.680 8.352 -3.845 1.00 0.00 C ATOM 515 C CYS A 37 -2.000 8.017 -5.168 1.00 0.00 C ATOM 516 O CYS A 37 -2.490 8.374 -6.238 1.00 0.00 O ATOM 517 CB CYS A 37 -2.085 9.634 -3.261 1.00 0.00 C ATOM 518 SG CYS A 37 -2.664 11.148 -4.062 1.00 0.00 S ATOM 0 H CYS A 37 -1.702 7.295 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.742 8.507 -4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.326 9.683 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.999 9.587 -3.340 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.107 12.178 -3.498 1.00 0.00 H new ATOM 524 N GLY A 38 -0.864 7.330 -5.087 1.00 0.00 N ATOM 525 CA GLY A 38 -0.133 6.960 -6.284 1.00 0.00 C ATOM 526 C GLY A 38 0.513 8.153 -6.961 1.00 0.00 C ATOM 527 O GLY A 38 1.051 8.035 -8.062 1.00 0.00 O ATOM 0 H GLY A 38 -0.437 7.023 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.636 6.232 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.811 6.472 -6.984 1.00 0.00 H new ATOM 531 N ALA A 39 0.458 9.306 -6.303 1.00 0.00 N ATOM 532 CA ALA A 39 1.042 10.525 -6.847 1.00 0.00 C ATOM 533 C ALA A 39 2.470 10.720 -6.349 1.00 0.00 C ATOM 534 O ALA A 39 2.795 10.375 -5.213 1.00 0.00 O ATOM 535 CB ALA A 39 0.186 11.729 -6.484 1.00 0.00 C ATOM 0 H ALA A 39 0.015 9.421 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 39 1.073 10.429 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.635 12.632 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.815 11.601 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.124 11.818 -5.399 1.00 0.00 H new ATOM 541 N VAL A 40 3.321 11.274 -7.207 1.00 0.00 N ATOM 542 CA VAL A 40 4.715 11.515 -6.854 1.00 0.00 C ATOM 543 C VAL A 40 5.193 12.861 -7.387 1.00 0.00 C ATOM 544 O VAL A 40 5.116 13.128 -8.586 1.00 0.00 O ATOM 545 CB VAL A 40 5.632 10.404 -7.400 1.00 0.00 C ATOM 546 CG1 VAL A 40 5.496 9.141 -6.564 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.316 10.123 -8.861 1.00 0.00 C ATOM 0 H VAL A 40 3.069 11.564 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 40 4.769 11.519 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 40 6.665 10.745 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.151 8.367 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.776 9.355 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.463 8.794 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.973 9.336 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.278 9.803 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.470 11.029 -9.447 1.00 0.00 H new ATOM 557 N MET A 41 5.686 13.706 -6.488 1.00 0.00 N ATOM 558 CA MET A 41 6.179 15.025 -6.868 1.00 0.00 C ATOM 559 C MET A 41 7.703 15.065 -6.841 1.00 0.00 C ATOM 560 O MET A 41 8.315 15.080 -5.773 1.00 0.00 O ATOM 561 CB MET A 41 5.612 16.094 -5.932 1.00 0.00 C ATOM 562 CG MET A 41 4.094 16.090 -5.854 1.00 0.00 C ATOM 563 SD MET A 41 3.362 17.611 -6.487 1.00 0.00 S ATOM 564 CE MET A 41 2.060 17.885 -5.287 1.00 0.00 C ATOM 0 H MET A 41 5.755 13.501 -5.491 1.00 0.00 H new ATOM 0 HA MET A 41 5.846 15.230 -7.886 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.019 15.943 -4.932 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.948 17.075 -6.268 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.707 15.242 -6.420 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.788 15.948 -4.818 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.704 18.912 -5.365 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.235 17.199 -5.482 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.448 17.711 -4.283 1.00 0.00 H new ATOM 574 N LYS A 42 8.311 15.082 -8.023 1.00 0.00 N ATOM 575 CA LYS A 42 9.764 15.121 -8.135 1.00 0.00 C ATOM 576 C LYS A 42 10.231 16.465 -8.685 1.00 0.00 C ATOM 577 O LYS A 42 9.894 16.838 -9.809 1.00 0.00 O ATOM 578 CB LYS A 42 10.257 13.989 -9.039 1.00 0.00 C ATOM 579 CG LYS A 42 9.785 12.613 -8.603 1.00 0.00 C ATOM 580 CD LYS A 42 10.758 11.527 -9.033 1.00 0.00 C ATOM 581 CE LYS A 42 12.000 11.513 -8.155 1.00 0.00 C ATOM 582 NZ LYS A 42 12.491 10.128 -7.911 1.00 0.00 N ATOM 0 H LYS A 42 7.819 15.069 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 42 10.184 14.990 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.917 14.175 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.347 14.000 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.672 12.593 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.802 12.412 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.266 10.556 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.047 11.686 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.787 12.099 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.776 11.992 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.338 10.161 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.749 9.576 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.729 9.679 -8.818 1.00 0.00 H new ATOM 596 N LEU A 43 11.010 17.187 -7.887 1.00 0.00 N ATOM 597 CA LEU A 43 11.526 18.489 -8.295 1.00 0.00 C ATOM 598 C LEU A 43 13.027 18.584 -8.043 1.00 0.00 C ATOM 599 O LEU A 43 13.537 18.036 -7.067 1.00 0.00 O ATOM 600 CB LEU A 43 10.799 19.605 -7.542 1.00 0.00 C ATOM 601 CG LEU A 43 9.445 20.028 -8.112 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.430 18.905 -7.965 1.00 0.00 C ATOM 603 CD2 LEU A 43 8.948 21.292 -7.426 1.00 0.00 C ATOM 0 H LEU A 43 11.298 16.893 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 43 11.349 18.604 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.652 19.284 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.448 20.480 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 43 9.570 20.241 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.472 19.224 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.781 18.025 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.308 18.660 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.983 21.578 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.839 21.107 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.665 22.098 -7.584 1.00 0.00 H new ATOM 615 N GLN A 44 13.727 19.285 -8.929 1.00 0.00 N ATOM 616 CA GLN A 44 15.170 19.453 -8.801 1.00 0.00 C ATOM 617 C GLN A 44 15.550 20.930 -8.816 1.00 0.00 C ATOM 618 O GLN A 44 15.059 21.698 -9.644 1.00 0.00 O ATOM 619 CB GLN A 44 15.893 18.717 -9.930 1.00 0.00 C ATOM 620 CG GLN A 44 16.750 17.557 -9.450 1.00 0.00 C ATOM 621 CD GLN A 44 16.223 16.212 -9.910 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.102 15.957 -11.109 1.00 0.00 O ATOM 623 NE2 GLN A 44 15.907 15.342 -8.958 1.00 0.00 N ATOM 0 H GLN A 44 13.319 19.745 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 44 15.476 19.028 -7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.155 18.343 -10.640 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.523 19.425 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.769 17.688 -9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.797 17.571 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.023 15.595 -7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.548 14.420 -9.208 1.00 0.00 H new ATOM 632 N ILE A 45 16.426 21.320 -7.896 1.00 0.00 N ATOM 633 CA ILE A 45 16.871 22.705 -7.805 1.00 0.00 C ATOM 634 C ILE A 45 18.394 22.792 -7.779 1.00 0.00 C ATOM 635 O ILE A 45 19.083 21.778 -7.672 1.00 0.00 O ATOM 636 CB ILE A 45 16.307 23.397 -6.550 1.00 0.00 C ATOM 637 CG1 ILE A 45 16.653 22.589 -5.298 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.801 23.573 -6.675 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.115 23.196 -4.020 1.00 0.00 C ATOM 0 H ILE A 45 16.841 20.697 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 45 16.495 23.216 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 45 16.762 24.383 -6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.257 21.579 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 45 17.737 22.500 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.417 24.063 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.577 24.185 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.329 22.597 -6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.398 22.571 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.531 24.195 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.028 23.260 -4.077 1.00 0.00 H new ATOM 651 N LYS A 46 18.913 24.011 -7.877 1.00 0.00 N ATOM 652 CA LYS A 46 20.354 24.234 -7.861 1.00 0.00 C ATOM 653 C LYS A 46 20.728 25.307 -6.844 1.00 0.00 C ATOM 654 O LYS A 46 20.122 26.379 -6.807 1.00 0.00 O ATOM 655 CB LYS A 46 20.843 24.641 -9.253 1.00 0.00 C ATOM 656 CG LYS A 46 22.315 25.013 -9.295 1.00 0.00 C ATOM 657 CD LYS A 46 23.096 24.090 -10.215 1.00 0.00 C ATOM 658 CE LYS A 46 22.985 22.639 -9.775 1.00 0.00 C ATOM 659 NZ LYS A 46 22.353 21.788 -10.821 1.00 0.00 N ATOM 0 H LYS A 46 18.356 24.861 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 46 20.838 23.301 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.664 23.819 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.253 25.488 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.422 26.043 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.733 24.965 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.724 24.191 -11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 46 24.144 24.388 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.978 22.253 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.399 22.582 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.809 20.853 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.340 21.677 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.468 22.239 -11.751 1.00 0.00 H new ATOM 673 N VAL A 47 21.730 25.014 -6.022 1.00 0.00 N ATOM 674 CA VAL A 47 22.187 25.956 -5.007 1.00 0.00 C ATOM 675 C VAL A 47 23.624 26.392 -5.268 1.00 0.00 C ATOM 676 O VAL A 47 24.510 25.561 -5.463 1.00 0.00 O ATOM 677 CB VAL A 47 22.096 25.347 -3.595 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.345 26.411 -2.537 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.742 24.684 -3.388 1.00 0.00 C ATOM 0 H VAL A 47 22.241 24.132 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 47 21.531 26.825 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 47 22.868 24.584 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.277 25.962 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.339 26.836 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.598 27.199 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.695 24.259 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.952 25.426 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.608 23.892 -4.125 1.00 0.00 H new ATOM 689 N ASN A 48 23.847 27.702 -5.271 1.00 0.00 N ATOM 690 CA ASN A 48 25.178 28.250 -5.509 1.00 0.00 C ATOM 691 C ASN A 48 25.959 28.368 -4.204 1.00 0.00 C ATOM 692 O ASN A 48 25.463 28.006 -3.137 1.00 0.00 O ATOM 693 CB ASN A 48 25.075 29.620 -6.182 1.00 0.00 C ATOM 694 CG ASN A 48 24.913 30.746 -5.178 1.00 0.00 C ATOM 695 OD1 ASN A 48 25.838 31.524 -4.947 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.733 30.836 -4.577 1.00 0.00 N ATOM 0 H ASN A 48 23.124 28.404 -5.111 1.00 0.00 H new ATOM 0 HA ASN A 48 25.712 27.568 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.969 29.796 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.227 29.623 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.564 31.573 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.995 30.168 -4.800 1.00 0.00 H new ATOM 703 N ASP A 49 27.182 28.879 -4.297 1.00 0.00 N ATOM 704 CA ASP A 49 28.031 29.048 -3.123 1.00 0.00 C ATOM 705 C ASP A 49 27.294 29.806 -2.024 1.00 0.00 C ATOM 706 O ASP A 49 27.320 29.409 -0.859 1.00 0.00 O ATOM 707 CB ASP A 49 29.315 29.789 -3.499 1.00 0.00 C ATOM 708 CG ASP A 49 30.405 28.852 -3.980 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.110 27.986 -4.830 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.553 28.984 -3.506 1.00 0.00 O ATOM 0 H ASP A 49 27.608 29.183 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 49 28.289 28.058 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.095 30.517 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.675 30.347 -2.635 1.00 0.00 H new ATOM 715 N GLU A 50 26.639 30.899 -2.402 1.00 0.00 N ATOM 716 CA GLU A 50 25.897 31.713 -1.447 1.00 0.00 C ATOM 717 C GLU A 50 24.942 30.853 -0.624 1.00 0.00 C ATOM 718 O GLU A 50 24.816 31.030 0.586 1.00 0.00 O ATOM 719 CB GLU A 50 25.115 32.808 -2.175 1.00 0.00 C ATOM 720 CG GLU A 50 25.132 34.148 -1.458 1.00 0.00 C ATOM 721 CD GLU A 50 24.959 35.319 -2.406 1.00 0.00 C ATOM 722 OE1 GLU A 50 24.467 35.103 -3.533 1.00 0.00 O ATOM 723 OE2 GLU A 50 25.316 36.452 -2.020 1.00 0.00 O ATOM 0 H GLU A 50 26.607 31.241 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 50 26.615 32.177 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.530 32.935 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.081 32.484 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 50 24.336 34.168 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.074 34.256 -0.921 1.00 0.00 H new ATOM 730 N GLY A 51 24.271 29.920 -1.293 1.00 0.00 N ATOM 731 CA GLY A 51 23.335 29.046 -0.609 1.00 0.00 C ATOM 732 C GLY A 51 21.892 29.367 -0.942 1.00 0.00 C ATOM 733 O GLY A 51 20.985 29.051 -0.172 1.00 0.00 O ATOM 0 H GLY A 51 24.359 29.754 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.545 28.011 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.484 29.131 0.467 1.00 0.00 H new ATOM 737 N ILE A 52 21.678 29.998 -2.092 1.00 0.00 N ATOM 738 CA ILE A 52 20.335 30.363 -2.524 1.00 0.00 C ATOM 739 C ILE A 52 19.992 29.712 -3.860 1.00 0.00 C ATOM 740 O ILE A 52 20.851 29.570 -4.731 1.00 0.00 O ATOM 741 CB ILE A 52 20.180 31.890 -2.655 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.180 32.544 -1.272 1.00 0.00 C ATOM 743 CG2 ILE A 52 18.903 32.230 -3.409 1.00 0.00 C ATOM 744 CD1 ILE A 52 20.706 33.962 -1.275 1.00 0.00 C ATOM 0 H ILE A 52 22.418 30.267 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 52 19.648 30.001 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 52 21.026 32.280 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.164 32.543 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.785 31.942 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 52 18.808 33.313 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.941 31.790 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.044 31.831 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.677 34.363 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.734 33.968 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.087 34.578 -1.927 1.00 0.00 H new ATOM 756 N ILE A 53 18.732 29.321 -4.016 1.00 0.00 N ATOM 757 CA ILE A 53 18.275 28.689 -5.247 1.00 0.00 C ATOM 758 C ILE A 53 18.432 29.628 -6.438 1.00 0.00 C ATOM 759 O ILE A 53 17.808 30.687 -6.492 1.00 0.00 O ATOM 760 CB ILE A 53 16.801 28.252 -5.142 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.617 27.279 -3.976 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.343 27.618 -6.447 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.516 26.065 -4.054 1.00 0.00 C ATOM 0 H ILE A 53 18.009 29.431 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 53 18.897 27.807 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 53 16.188 29.133 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.810 27.805 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.578 26.950 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.300 27.314 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.442 28.340 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.958 26.744 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.331 25.420 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.307 25.516 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.558 26.383 -4.051 1.00 0.00 H new ATOM 775 N GLU A 54 19.268 29.230 -7.392 1.00 0.00 N ATOM 776 CA GLU A 54 19.506 30.036 -8.583 1.00 0.00 C ATOM 777 C GLU A 54 18.890 29.380 -9.816 1.00 0.00 C ATOM 778 O GLU A 54 18.625 30.044 -10.818 1.00 0.00 O ATOM 779 CB GLU A 54 21.008 30.239 -8.797 1.00 0.00 C ATOM 780 CG GLU A 54 21.353 30.854 -10.143 1.00 0.00 C ATOM 781 CD GLU A 54 22.839 31.111 -10.303 1.00 0.00 C ATOM 782 OE1 GLU A 54 23.625 30.570 -9.498 1.00 0.00 O ATOM 783 OE2 GLU A 54 23.215 31.854 -11.234 1.00 0.00 O ATOM 0 H GLU A 54 19.791 28.355 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 54 19.033 31.007 -8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.396 30.879 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.513 29.277 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.015 30.190 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.811 31.793 -10.259 1.00 0.00 H new ATOM 790 N ASP A 55 18.665 28.074 -9.733 1.00 0.00 N ATOM 791 CA ASP A 55 18.080 27.327 -10.841 1.00 0.00 C ATOM 792 C ASP A 55 17.053 26.319 -10.334 1.00 0.00 C ATOM 793 O ASP A 55 17.179 25.791 -9.229 1.00 0.00 O ATOM 794 CB ASP A 55 19.172 26.607 -11.632 1.00 0.00 C ATOM 795 CG ASP A 55 19.004 26.768 -13.130 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.838 27.917 -13.587 1.00 0.00 O ATOM 797 OD2 ASP A 55 19.038 25.744 -13.845 1.00 0.00 O ATOM 0 H ASP A 55 18.879 27.510 -8.910 1.00 0.00 H new ATOM 0 HA ASP A 55 17.574 28.035 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.147 26.994 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.160 25.547 -11.380 1.00 0.00 H new ATOM 802 N ALA A 56 16.036 26.057 -11.149 1.00 0.00 N ATOM 803 CA ALA A 56 14.988 25.112 -10.783 1.00 0.00 C ATOM 804 C ALA A 56 14.466 24.370 -12.009 1.00 0.00 C ATOM 805 O ALA A 56 13.991 24.986 -12.963 1.00 0.00 O ATOM 806 CB ALA A 56 13.850 25.833 -10.076 1.00 0.00 C ATOM 0 H ALA A 56 15.916 26.486 -12.067 1.00 0.00 H new ATOM 0 HA ALA A 56 15.417 24.378 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.075 25.115 -9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.228 26.312 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.431 26.589 -10.739 1.00 0.00 H new ATOM 812 N ARG A 57 14.559 23.045 -11.977 1.00 0.00 N ATOM 813 CA ARG A 57 14.097 22.219 -13.086 1.00 0.00 C ATOM 814 C ARG A 57 13.596 20.868 -12.587 1.00 0.00 C ATOM 815 O ARG A 57 14.269 20.193 -11.807 1.00 0.00 O ATOM 816 CB ARG A 57 15.225 22.014 -14.100 1.00 0.00 C ATOM 817 CG ARG A 57 14.941 20.917 -15.112 1.00 0.00 C ATOM 818 CD ARG A 57 13.700 21.226 -15.936 1.00 0.00 C ATOM 819 NE ARG A 57 14.024 21.493 -17.334 1.00 0.00 N ATOM 820 CZ ARG A 57 13.155 21.990 -18.208 1.00 0.00 C ATOM 821 NH1 ARG A 57 11.916 22.272 -17.828 1.00 0.00 N ATOM 822 NH2 ARG A 57 13.524 22.206 -19.464 1.00 0.00 N ATOM 0 H ARG A 57 14.950 22.520 -11.195 1.00 0.00 H new ATOM 0 HA ARG A 57 13.269 22.736 -13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.400 22.950 -14.631 1.00 0.00 H new ATOM 0 HB3 ARG A 57 16.144 21.774 -13.565 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.799 20.800 -15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.807 19.968 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.008 20.386 -15.878 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.189 22.090 -15.511 1.00 0.00 H new ATOM 0 HE ARG A 57 14.969 21.287 -17.658 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.629 22.107 -16.863 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.251 22.653 -18.500 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.476 21.991 -19.760 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.856 22.587 -20.133 1.00 0.00 H new ATOM 836 N PHE A 58 12.409 20.478 -13.040 1.00 0.00 N ATOM 837 CA PHE A 58 11.816 19.208 -12.638 1.00 0.00 C ATOM 838 C PHE A 58 11.384 18.400 -13.858 1.00 0.00 C ATOM 839 O PHE A 58 11.501 18.858 -14.995 1.00 0.00 O ATOM 840 CB PHE A 58 10.615 19.449 -11.721 1.00 0.00 C ATOM 841 CG PHE A 58 9.473 20.148 -12.400 1.00 0.00 C ATOM 842 CD1 PHE A 58 9.554 21.496 -12.710 1.00 0.00 C ATOM 843 CD2 PHE A 58 8.318 19.457 -12.729 1.00 0.00 C ATOM 844 CE1 PHE A 58 8.503 22.142 -13.334 1.00 0.00 C ATOM 845 CE2 PHE A 58 7.264 20.097 -13.354 1.00 0.00 C ATOM 846 CZ PHE A 58 7.357 21.441 -13.657 1.00 0.00 C ATOM 0 H PHE A 58 11.839 21.024 -13.686 1.00 0.00 H new ATOM 0 HA PHE A 58 12.570 18.639 -12.095 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.266 18.492 -11.334 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.935 20.042 -10.864 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.448 22.048 -12.461 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.240 18.406 -12.494 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.578 23.194 -13.569 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.369 19.547 -13.605 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.535 21.943 -14.146 1.00 0.00 H new ATOM 856 N LYS A 59 10.885 17.193 -13.613 1.00 0.00 N ATOM 857 CA LYS A 59 10.434 16.318 -14.690 1.00 0.00 C ATOM 858 C LYS A 59 8.930 16.080 -14.603 1.00 0.00 C ATOM 859 O LYS A 59 8.299 16.386 -13.591 1.00 0.00 O ATOM 860 CB LYS A 59 11.177 14.982 -14.634 1.00 0.00 C ATOM 861 CG LYS A 59 12.689 15.123 -14.680 1.00 0.00 C ATOM 862 CD LYS A 59 13.380 13.947 -14.013 1.00 0.00 C ATOM 863 CE LYS A 59 13.634 12.817 -14.999 1.00 0.00 C ATOM 864 NZ LYS A 59 13.530 11.480 -14.350 1.00 0.00 N ATOM 0 H LYS A 59 10.783 16.798 -12.678 1.00 0.00 H new ATOM 0 HA LYS A 59 10.652 16.808 -15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.897 14.459 -13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.853 14.361 -15.469 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.017 15.198 -15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.984 16.048 -14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.326 14.276 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.766 13.582 -13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.916 12.880 -15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.626 12.932 -15.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.710 10.737 -15.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.232 11.409 -13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.575 11.359 -13.955 1.00 0.00 H new ATOM 978 N ALA A 68 -0.403 21.736 -11.544 1.00 0.00 N ATOM 979 CA ALA A 68 0.177 23.071 -11.459 1.00 0.00 C ATOM 980 C ALA A 68 0.833 23.299 -10.102 1.00 0.00 C ATOM 981 O ALA A 68 1.722 24.139 -9.965 1.00 0.00 O ATOM 982 CB ALA A 68 -0.889 24.126 -11.717 1.00 0.00 C ATOM 0 HA ALA A 68 0.949 23.155 -12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.443 25.118 -11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.309 23.983 -12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.680 24.034 -10.973 1.00 0.00 H new ATOM 988 N SER A 69 0.389 22.546 -9.101 1.00 0.00 N ATOM 989 CA SER A 69 0.930 22.669 -7.753 1.00 0.00 C ATOM 990 C SER A 69 2.454 22.606 -7.772 1.00 0.00 C ATOM 991 O SER A 69 3.123 23.244 -6.959 1.00 0.00 O ATOM 992 CB SER A 69 0.374 21.563 -6.854 1.00 0.00 C ATOM 993 OG SER A 69 -1.025 21.705 -6.678 1.00 0.00 O ATOM 0 H SER A 69 -0.344 21.844 -9.198 1.00 0.00 H new ATOM 0 HA SER A 69 0.628 23.637 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.592 20.589 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.871 21.594 -5.884 1.00 0.00 H new ATOM 0 HG SER A 69 -1.357 20.986 -6.101 1.00 0.00 H new ATOM 999 N SER A 70 2.997 21.831 -8.705 1.00 0.00 N ATOM 1000 CA SER A 70 4.442 21.680 -8.829 1.00 0.00 C ATOM 1001 C SER A 70 5.028 22.771 -9.719 1.00 0.00 C ATOM 1002 O SER A 70 6.185 23.162 -9.562 1.00 0.00 O ATOM 1003 CB SER A 70 4.785 20.302 -9.399 1.00 0.00 C ATOM 1004 OG SER A 70 5.163 20.394 -10.761 1.00 0.00 O ATOM 0 H SER A 70 2.458 21.297 -9.387 1.00 0.00 H new ATOM 0 HA SER A 70 4.879 21.773 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.596 19.858 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.925 19.640 -9.301 1.00 0.00 H new ATOM 0 HG SER A 70 5.379 19.501 -11.102 1.00 0.00 H new ATOM 1010 N SER A 71 4.220 23.260 -10.655 1.00 0.00 N ATOM 1011 CA SER A 71 4.658 24.304 -11.574 1.00 0.00 C ATOM 1012 C SER A 71 4.709 25.659 -10.873 1.00 0.00 C ATOM 1013 O SER A 71 5.458 26.551 -11.274 1.00 0.00 O ATOM 1014 CB SER A 71 3.721 24.376 -12.781 1.00 0.00 C ATOM 1015 OG SER A 71 4.451 24.550 -13.983 1.00 0.00 O ATOM 0 H SER A 71 3.259 22.950 -10.797 1.00 0.00 H new ATOM 0 HA SER A 71 5.662 24.054 -11.917 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.129 23.463 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.022 25.202 -12.654 1.00 0.00 H new ATOM 0 HG SER A 71 3.830 24.591 -14.740 1.00 0.00 H new ATOM 1021 N LEU A 72 3.906 25.805 -9.825 1.00 0.00 N ATOM 1022 CA LEU A 72 3.858 27.051 -9.067 1.00 0.00 C ATOM 1023 C LEU A 72 4.960 27.090 -8.013 1.00 0.00 C ATOM 1024 O LEU A 72 5.593 28.124 -7.800 1.00 0.00 O ATOM 1025 CB LEU A 72 2.492 27.210 -8.397 1.00 0.00 C ATOM 1026 CG LEU A 72 2.292 26.446 -7.088 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.840 27.244 -5.915 1.00 0.00 C ATOM 1028 CD2 LEU A 72 0.819 26.127 -6.876 1.00 0.00 C ATOM 0 H LEU A 72 3.280 25.077 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 72 4.015 27.876 -9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.326 28.270 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.725 26.890 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 72 2.841 25.507 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.689 26.684 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.905 27.421 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.319 28.199 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.696 25.583 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.248 27.055 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.457 25.515 -7.702 1.00 0.00 H new ATOM 1040 N VAL A 73 5.187 25.956 -7.359 1.00 0.00 N ATOM 1041 CA VAL A 73 6.216 25.859 -6.330 1.00 0.00 C ATOM 1042 C VAL A 73 7.609 26.004 -6.931 1.00 0.00 C ATOM 1043 O VAL A 73 8.544 26.445 -6.261 1.00 0.00 O ATOM 1044 CB VAL A 73 6.131 24.519 -5.575 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.781 24.378 -4.888 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.379 23.357 -6.524 1.00 0.00 C ATOM 0 H VAL A 73 4.672 25.091 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 73 6.040 26.674 -5.628 1.00 0.00 H new ATOM 0 HB VAL A 73 6.905 24.504 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.739 23.425 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.648 25.193 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.987 24.414 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.315 22.418 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.629 23.366 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.371 23.453 -6.965 1.00 0.00 H new ATOM 1056 N THR A 74 7.742 25.630 -8.200 1.00 0.00 N ATOM 1057 CA THR A 74 9.022 25.717 -8.892 1.00 0.00 C ATOM 1058 C THR A 74 9.405 27.168 -9.159 1.00 0.00 C ATOM 1059 O THR A 74 10.554 27.562 -8.963 1.00 0.00 O ATOM 1060 CB THR A 74 8.991 24.951 -10.228 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.681 25.021 -10.803 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.385 23.496 -10.027 1.00 0.00 C ATOM 0 H THR A 74 6.979 25.264 -8.769 1.00 0.00 H new ATOM 0 HA THR A 74 9.767 25.262 -8.239 1.00 0.00 H new ATOM 0 HB THR A 74 9.709 25.415 -10.904 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.124 24.304 -10.435 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.356 22.976 -10.984 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.394 23.445 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.688 23.023 -9.335 1.00 0.00 H new ATOM 1070 N GLU A 75 8.434 27.958 -9.608 1.00 0.00 N ATOM 1071 CA GLU A 75 8.671 29.366 -9.902 1.00 0.00 C ATOM 1072 C GLU A 75 8.945 30.151 -8.622 1.00 0.00 C ATOM 1073 O GLU A 75 9.529 31.234 -8.659 1.00 0.00 O ATOM 1074 CB GLU A 75 7.469 29.967 -10.634 1.00 0.00 C ATOM 1075 CG GLU A 75 6.930 29.082 -11.746 1.00 0.00 C ATOM 1076 CD GLU A 75 6.899 29.787 -13.089 1.00 0.00 C ATOM 1077 OE1 GLU A 75 6.352 30.906 -13.160 1.00 0.00 O ATOM 1078 OE2 GLU A 75 7.424 29.217 -14.069 1.00 0.00 O ATOM 0 H GLU A 75 7.477 27.647 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 75 9.549 29.433 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.673 30.157 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.755 30.931 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.547 28.187 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.923 28.754 -11.489 1.00 0.00 H new ATOM 1085 N TRP A 76 8.519 29.597 -7.493 1.00 0.00 N ATOM 1086 CA TRP A 76 8.717 30.245 -6.202 1.00 0.00 C ATOM 1087 C TRP A 76 10.136 30.019 -5.692 1.00 0.00 C ATOM 1088 O TRP A 76 10.808 30.957 -5.262 1.00 0.00 O ATOM 1089 CB TRP A 76 7.706 29.717 -5.183 1.00 0.00 C ATOM 1090 CG TRP A 76 6.638 30.710 -4.836 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.294 30.478 -4.765 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.826 32.092 -4.513 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.635 31.633 -4.419 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.552 32.637 -4.258 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.946 32.922 -4.414 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.371 33.974 -3.911 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.764 34.248 -4.070 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.485 34.763 -3.821 1.00 0.00 C ATOM 0 H TRP A 76 8.034 28.701 -7.445 1.00 0.00 H new ATOM 0 HA TRP A 76 8.564 31.316 -6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.239 28.815 -5.579 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.234 29.429 -4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.819 29.527 -4.953 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.626 31.727 -4.301 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.936 32.534 -4.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.386 34.374 -3.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.623 34.899 -3.992 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.376 35.803 -3.553 1.00 0.00 H new ATOM 1109 N VAL A 77 10.587 28.770 -5.741 1.00 0.00 N ATOM 1110 CA VAL A 77 11.927 28.422 -5.285 1.00 0.00 C ATOM 1111 C VAL A 77 12.992 29.093 -6.146 1.00 0.00 C ATOM 1112 O VAL A 77 14.048 29.489 -5.651 1.00 0.00 O ATOM 1113 CB VAL A 77 12.150 26.898 -5.308 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.300 26.218 -4.246 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.843 26.336 -6.688 1.00 0.00 C ATOM 0 H VAL A 77 10.043 27.982 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 77 12.015 28.779 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 77 13.198 26.698 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.471 25.142 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.572 26.600 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.247 26.424 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.006 25.258 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.804 26.546 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.499 26.801 -7.424 1.00 0.00 H new ATOM 1125 N LYS A 78 12.707 29.219 -7.438 1.00 0.00 N ATOM 1126 CA LYS A 78 13.639 29.844 -8.369 1.00 0.00 C ATOM 1127 C LYS A 78 14.030 31.239 -7.893 1.00 0.00 C ATOM 1128 O LYS A 78 13.274 32.196 -8.056 1.00 0.00 O ATOM 1129 CB LYS A 78 13.018 29.926 -9.766 1.00 0.00 C ATOM 1130 CG LYS A 78 13.613 28.939 -10.755 1.00 0.00 C ATOM 1131 CD LYS A 78 13.917 29.600 -12.088 1.00 0.00 C ATOM 1132 CE LYS A 78 12.790 29.386 -13.087 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.328 30.669 -13.685 1.00 0.00 N ATOM 0 H LYS A 78 11.838 28.897 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 78 14.538 29.229 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.945 29.748 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.146 30.937 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.528 28.515 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.919 28.112 -10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.074 30.668 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.845 29.195 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.128 28.717 -13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.953 28.894 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.560 30.481 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.981 31.298 -12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.120 31.126 -14.181 1.00 0.00 H new ATOM 1147 N GLY A 79 15.218 31.348 -7.305 1.00 0.00 N ATOM 1148 CA GLY A 79 15.689 32.630 -6.816 1.00 0.00 C ATOM 1149 C GLY A 79 15.334 32.862 -5.360 1.00 0.00 C ATOM 1150 O GLY A 79 15.202 34.004 -4.920 1.00 0.00 O ATOM 0 H GLY A 79 15.862 30.571 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.771 32.686 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.259 33.427 -7.423 1.00 0.00 H new ATOM 1154 N LYS A 80 15.178 31.775 -4.611 1.00 0.00 N ATOM 1155 CA LYS A 80 14.835 31.864 -3.197 1.00 0.00 C ATOM 1156 C LYS A 80 15.825 31.073 -2.347 1.00 0.00 C ATOM 1157 O LYS A 80 16.243 29.978 -2.721 1.00 0.00 O ATOM 1158 CB LYS A 80 13.415 31.344 -2.961 1.00 0.00 C ATOM 1159 CG LYS A 80 12.545 32.294 -2.158 1.00 0.00 C ATOM 1160 CD LYS A 80 11.755 33.226 -3.061 1.00 0.00 C ATOM 1161 CE LYS A 80 10.858 34.155 -2.257 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.873 35.543 -2.795 1.00 0.00 N ATOM 0 H LYS A 80 15.284 30.822 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 80 14.885 32.912 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.941 31.157 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.469 30.387 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.858 31.721 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.171 32.881 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.443 33.817 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.148 32.639 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.837 33.773 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.185 34.165 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.250 36.145 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.843 35.918 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.537 35.537 -3.779 1.00 0.00 H new ATOM 1176 N SER A 81 16.194 31.636 -1.200 1.00 0.00 N ATOM 1177 CA SER A 81 17.137 30.984 -0.298 1.00 0.00 C ATOM 1178 C SER A 81 16.590 29.643 0.182 1.00 0.00 C ATOM 1179 O SER A 81 15.559 29.172 -0.298 1.00 0.00 O ATOM 1180 CB SER A 81 17.434 31.886 0.901 1.00 0.00 C ATOM 1181 OG SER A 81 16.268 32.103 1.677 1.00 0.00 O ATOM 0 H SER A 81 15.855 32.541 -0.874 1.00 0.00 H new ATOM 0 HA SER A 81 18.062 30.804 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.207 31.431 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.826 32.842 0.553 1.00 0.00 H new ATOM 0 HG SER A 81 16.277 33.016 2.032 1.00 0.00 H new ATOM 1187 N LEU A 82 17.289 29.034 1.134 1.00 0.00 N ATOM 1188 CA LEU A 82 16.875 27.747 1.681 1.00 0.00 C ATOM 1189 C LEU A 82 15.747 27.922 2.693 1.00 0.00 C ATOM 1190 O LEU A 82 14.742 27.212 2.646 1.00 0.00 O ATOM 1191 CB LEU A 82 18.063 27.046 2.342 1.00 0.00 C ATOM 1192 CG LEU A 82 19.337 26.946 1.501 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.570 27.024 2.388 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.341 25.658 0.691 1.00 0.00 C ATOM 0 H LEU A 82 18.144 29.411 1.543 1.00 0.00 H new ATOM 0 HA LEU A 82 16.509 27.132 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.302 27.573 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.755 26.038 2.620 1.00 0.00 H new ATOM 0 HG LEU A 82 19.359 27.787 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.466 26.951 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.574 27.974 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.555 26.203 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.254 25.603 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.295 24.803 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.477 25.643 0.027 1.00 0.00 H new ATOM 1206 N ASP A 83 15.919 28.873 3.604 1.00 0.00 N ATOM 1207 CA ASP A 83 14.914 29.145 4.625 1.00 0.00 C ATOM 1208 C ASP A 83 13.627 29.669 3.995 1.00 0.00 C ATOM 1209 O ASP A 83 12.529 29.278 4.389 1.00 0.00 O ATOM 1210 CB ASP A 83 15.448 30.156 5.640 1.00 0.00 C ATOM 1211 CG ASP A 83 15.951 29.494 6.908 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.077 28.955 6.889 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.218 29.514 7.919 1.00 0.00 O ATOM 0 H ASP A 83 16.745 29.469 3.656 1.00 0.00 H new ATOM 0 HA ASP A 83 14.691 28.210 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.257 30.728 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.659 30.865 5.892 1.00 0.00 H new ATOM 1218 N GLU A 84 13.772 30.556 3.016 1.00 0.00 N ATOM 1219 CA GLU A 84 12.621 31.135 2.334 1.00 0.00 C ATOM 1220 C GLU A 84 11.728 30.043 1.752 1.00 0.00 C ATOM 1221 O GLU A 84 10.548 29.948 2.087 1.00 0.00 O ATOM 1222 CB GLU A 84 13.081 32.079 1.221 1.00 0.00 C ATOM 1223 CG GLU A 84 13.232 33.522 1.671 1.00 0.00 C ATOM 1224 CD GLU A 84 13.901 33.644 3.025 1.00 0.00 C ATOM 1225 OE1 GLU A 84 13.222 33.412 4.047 1.00 0.00 O ATOM 1226 OE2 GLU A 84 15.106 33.971 3.064 1.00 0.00 O ATOM 0 H GLU A 84 14.675 30.889 2.678 1.00 0.00 H new ATOM 0 HA GLU A 84 12.045 31.701 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.036 31.728 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.365 32.036 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.815 34.070 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.249 33.990 1.712 1.00 0.00 H new ATOM 1233 N ALA A 85 12.300 29.221 0.879 1.00 0.00 N ATOM 1234 CA ALA A 85 11.558 28.135 0.251 1.00 0.00 C ATOM 1235 C ALA A 85 11.001 27.175 1.297 1.00 0.00 C ATOM 1236 O ALA A 85 9.848 26.753 1.213 1.00 0.00 O ATOM 1237 CB ALA A 85 12.446 27.388 -0.734 1.00 0.00 C ATOM 0 H ALA A 85 13.276 29.287 0.590 1.00 0.00 H new ATOM 0 HA ALA A 85 10.718 28.568 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.878 26.580 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.791 28.075 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.305 26.973 -0.207 1.00 0.00 H new ATOM 1243 N GLN A 86 11.828 26.833 2.280 1.00 0.00 N ATOM 1244 CA GLN A 86 11.417 25.922 3.341 1.00 0.00 C ATOM 1245 C GLN A 86 10.326 26.547 4.204 1.00 0.00 C ATOM 1246 O GLN A 86 9.607 25.847 4.917 1.00 0.00 O ATOM 1247 CB GLN A 86 12.617 25.544 4.211 1.00 0.00 C ATOM 1248 CG GLN A 86 12.484 24.182 4.873 1.00 0.00 C ATOM 1249 CD GLN A 86 12.831 24.213 6.348 1.00 0.00 C ATOM 1250 OE1 GLN A 86 13.842 23.652 6.772 1.00 0.00 O ATOM 1251 NE2 GLN A 86 11.994 24.873 7.140 1.00 0.00 N ATOM 0 H GLN A 86 12.786 27.173 2.363 1.00 0.00 H new ATOM 0 HA GLN A 86 11.016 25.022 2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.518 25.554 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.749 26.302 4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.462 23.822 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.135 23.471 4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.168 25.323 6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.177 24.930 8.142 1.00 0.00 H new ATOM 1260 N ALA A 87 10.208 27.869 4.135 1.00 0.00 N ATOM 1261 CA ALA A 87 9.204 28.588 4.908 1.00 0.00 C ATOM 1262 C ALA A 87 7.830 28.487 4.253 1.00 0.00 C ATOM 1263 O ALA A 87 6.808 28.739 4.891 1.00 0.00 O ATOM 1264 CB ALA A 87 9.607 30.046 5.072 1.00 0.00 C ATOM 0 H ALA A 87 10.796 28.464 3.551 1.00 0.00 H new ATOM 0 HA ALA A 87 9.142 28.127 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.847 30.570 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.563 30.103 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.699 30.511 4.090 1.00 0.00 H new ATOM 1270 N ILE A 88 7.815 28.120 2.976 1.00 0.00 N ATOM 1271 CA ILE A 88 6.567 27.986 2.235 1.00 0.00 C ATOM 1272 C ILE A 88 5.569 27.115 2.991 1.00 0.00 C ATOM 1273 O ILE A 88 5.946 26.134 3.632 1.00 0.00 O ATOM 1274 CB ILE A 88 6.803 27.383 0.838 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.708 28.298 0.009 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.477 27.155 0.128 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.285 27.626 -1.217 1.00 0.00 C ATOM 0 H ILE A 88 8.653 27.910 2.433 1.00 0.00 H new ATOM 0 HA ILE A 88 6.158 28.990 2.123 1.00 0.00 H new ATOM 0 HB ILE A 88 7.300 26.420 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.139 29.175 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.525 28.654 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.661 26.728 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.865 26.468 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.954 28.105 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.916 28.333 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.881 26.766 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.474 27.295 -1.866 1.00 0.00 H new ATOM 1289 N LYS A 89 4.294 27.479 2.910 1.00 0.00 N ATOM 1290 CA LYS A 89 3.240 26.730 3.583 1.00 0.00 C ATOM 1291 C LYS A 89 2.211 26.218 2.580 1.00 0.00 C ATOM 1292 O LYS A 89 1.817 26.934 1.660 1.00 0.00 O ATOM 1293 CB LYS A 89 2.553 27.607 4.632 1.00 0.00 C ATOM 1294 CG LYS A 89 3.341 27.739 5.924 1.00 0.00 C ATOM 1295 CD LYS A 89 3.966 29.118 6.057 1.00 0.00 C ATOM 1296 CE LYS A 89 4.839 29.216 7.299 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.029 29.212 8.548 1.00 0.00 N ATOM 0 H LYS A 89 3.965 28.289 2.384 1.00 0.00 H new ATOM 0 HA LYS A 89 3.697 25.873 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.389 28.600 4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.571 27.190 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.683 27.553 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.123 26.980 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.565 29.334 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.180 29.872 6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.539 28.381 7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.433 30.129 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.659 29.297 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.367 30.014 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.494 28.322 8.612 1.00 0.00 H new ATOM 1311 N ASN A 90 1.778 24.975 2.766 1.00 0.00 N ATOM 1312 CA ASN A 90 0.793 24.368 1.877 1.00 0.00 C ATOM 1313 C ASN A 90 -0.395 25.301 1.664 1.00 0.00 C ATOM 1314 O ASN A 90 -0.997 25.323 0.590 1.00 0.00 O ATOM 1315 CB ASN A 90 0.312 23.034 2.451 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.694 23.215 3.570 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -0.324 23.371 4.734 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.976 23.195 3.223 1.00 0.00 N ATOM 0 H ASN A 90 2.093 24.369 3.523 1.00 0.00 H new ATOM 0 HA ASN A 90 1.270 24.190 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.137 22.440 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.168 22.472 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.699 23.312 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.238 23.063 2.246 1.00 0.00 H new ATOM 1325 N THR A 91 -0.728 26.072 2.695 1.00 0.00 N ATOM 1326 CA THR A 91 -1.844 27.006 2.622 1.00 0.00 C ATOM 1327 C THR A 91 -1.730 27.904 1.395 1.00 0.00 C ATOM 1328 O THR A 91 -2.733 28.239 0.764 1.00 0.00 O ATOM 1329 CB THR A 91 -1.923 27.887 3.883 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.027 28.793 3.780 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.634 28.672 4.076 1.00 0.00 C ATOM 0 H THR A 91 -0.240 26.067 3.591 1.00 0.00 H new ATOM 0 HA THR A 91 -2.752 26.408 2.548 1.00 0.00 H new ATOM 0 HB THR A 91 -2.067 27.236 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.071 29.348 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.713 29.287 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.201 27.980 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.465 29.313 3.210 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.504 28.289 1.062 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.259 29.147 -0.092 1.00 0.00 C ATOM 1341 C ASP A 92 -0.410 28.365 -1.393 1.00 0.00 C ATOM 1342 O ASP A 92 -0.937 28.879 -2.380 1.00 0.00 O ATOM 1343 CB ASP A 92 1.140 29.760 -0.011 1.00 0.00 C ATOM 1344 CG ASP A 92 1.219 30.892 0.994 1.00 0.00 C ATOM 1345 OD1 ASP A 92 1.382 30.607 2.199 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.118 32.064 0.575 1.00 0.00 O ATOM 0 H ASP A 92 0.336 28.021 1.574 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.999 29.947 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.857 28.986 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.429 30.131 -0.995 1.00 0.00 H new ATOM 1351 N ILE A 93 0.057 27.121 -1.387 1.00 0.00 N ATOM 1352 CA ILE A 93 -0.027 26.268 -2.566 1.00 0.00 C ATOM 1353 C ILE A 93 -1.463 25.820 -2.820 1.00 0.00 C ATOM 1354 O ILE A 93 -1.844 25.536 -3.955 1.00 0.00 O ATOM 1355 CB ILE A 93 0.870 25.024 -2.426 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.342 25.435 -2.354 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.637 24.070 -3.588 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.789 25.838 -0.967 1.00 0.00 C ATOM 0 H ILE A 93 0.497 26.681 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 93 0.320 26.863 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 93 0.611 24.509 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.960 24.606 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.513 26.266 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.278 23.196 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.407 23.756 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.873 24.574 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.842 26.117 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.197 26.687 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.651 25.001 -0.283 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.255 25.760 -1.754 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.650 25.351 -1.862 1.00 0.00 C ATOM 1372 C ALA A 94 -4.505 26.465 -2.455 1.00 0.00 C ATOM 1373 O ALA A 94 -5.295 26.233 -3.369 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.186 24.941 -0.498 1.00 0.00 C ATOM 0 H ALA A 94 -1.954 25.989 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.701 24.494 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.229 24.638 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.599 24.107 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.114 25.784 0.189 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.342 27.675 -1.928 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.101 28.825 -2.405 1.00 0.00 C ATOM 1382 C GLU A 95 -4.546 29.329 -3.734 1.00 0.00 C ATOM 1383 O GLU A 95 -5.250 29.981 -4.505 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.073 29.949 -1.368 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.766 29.592 -0.064 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.277 29.564 -0.196 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.821 28.506 -0.574 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.915 30.602 0.081 1.00 0.00 O ATOM 0 H GLU A 95 -3.691 27.884 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.133 28.509 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.036 30.213 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.548 30.834 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.416 28.617 0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.485 30.314 0.702 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.278 29.024 -3.994 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.628 29.448 -5.228 1.00 0.00 C ATOM 1397 C GLU A 96 -3.447 29.028 -6.446 1.00 0.00 C ATOM 1398 O GLU A 96 -3.735 29.841 -7.325 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.220 28.857 -5.318 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.119 29.855 -5.000 1.00 0.00 C ATOM 1401 CD GLU A 96 0.500 30.457 -6.246 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.186 30.501 -7.288 1.00 0.00 O ATOM 1403 OE2 GLU A 96 1.671 30.886 -6.178 1.00 0.00 O ATOM 0 H GLU A 96 -2.681 28.485 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.557 30.536 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.144 28.014 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.064 28.464 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.526 30.653 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.657 29.360 -4.416 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.817 27.753 -6.491 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.602 27.223 -7.600 1.00 0.00 C ATOM 1412 C LEU A 97 -6.009 26.850 -7.143 1.00 0.00 C ATOM 1413 O LEU A 97 -6.874 26.535 -7.960 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.909 26.000 -8.203 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.405 26.132 -8.443 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.788 24.771 -8.727 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -2.129 27.094 -9.589 1.00 0.00 C ATOM 0 H LEU A 97 -3.586 27.067 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.681 28.000 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.078 25.149 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.389 25.767 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.947 26.535 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.717 24.885 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.953 24.112 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.251 24.340 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.053 27.175 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.600 26.721 -10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.535 28.076 -9.346 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.231 26.892 -5.833 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.533 26.559 -5.269 1.00 0.00 C ATOM 1431 C GLU A 98 -7.889 25.101 -5.543 1.00 0.00 C ATOM 1432 O GLU A 98 -8.916 24.805 -6.156 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.613 27.477 -5.846 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.219 28.944 -5.867 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.249 29.815 -6.559 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -9.222 29.888 -7.805 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.081 30.424 -5.855 1.00 0.00 O ATOM 0 H GLU A 98 -5.526 27.153 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.481 26.705 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.844 27.157 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.525 27.363 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.081 29.294 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.259 29.051 -6.373 1.00 0.00 H new ATOM 1444 N LEU A 99 -7.034 24.194 -5.085 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.256 22.765 -5.280 1.00 0.00 C ATOM 1446 C LEU A 99 -8.641 22.357 -4.786 1.00 0.00 C ATOM 1447 O LEU A 99 -9.187 22.935 -3.846 1.00 0.00 O ATOM 1448 CB LEU A 99 -6.183 21.957 -4.549 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.880 21.725 -5.315 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -5.135 20.896 -6.564 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.231 23.053 -5.678 1.00 0.00 C ATOM 0 H LEU A 99 -6.180 24.422 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.195 22.555 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.946 22.466 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.604 20.987 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.196 21.173 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.196 20.741 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.555 19.931 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.837 21.421 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.305 22.869 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.911 23.631 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.012 23.612 -4.768 1.00 0.00 H new ATOM 1463 N PRO A 100 -9.222 21.336 -5.432 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.549 20.825 -5.074 1.00 0.00 C ATOM 1465 C PRO A 100 -10.549 20.104 -3.731 1.00 0.00 C ATOM 1466 O PRO A 100 -9.521 19.617 -3.260 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.870 19.847 -6.206 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.541 19.415 -6.722 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.629 20.600 -6.561 1.00 0.00 C ATOM 0 HA PRO A 100 -11.279 21.627 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.449 18.998 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.461 20.325 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.167 18.556 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.608 19.113 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.605 20.293 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.597 21.208 -7.465 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.730 20.032 -3.097 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.892 19.371 -1.799 1.00 0.00 C ATOM 1479 C PRO A 101 -11.741 17.857 -1.897 1.00 0.00 C ATOM 1480 O PRO A 101 -11.730 17.157 -0.884 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.320 19.741 -1.389 1.00 0.00 C ATOM 1482 CG PRO A 101 -14.026 20.006 -2.673 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.996 20.590 -3.599 1.00 0.00 C ATOM 0 HA PRO A 101 -11.133 19.686 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.795 18.931 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.331 20.618 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.445 19.088 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.856 20.697 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.179 20.304 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.997 21.679 -3.565 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.625 17.356 -3.123 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.473 15.924 -3.353 1.00 0.00 C ATOM 1493 C VAL A 102 -10.221 15.388 -2.668 1.00 0.00 C ATOM 1494 O VAL A 102 -10.290 14.461 -1.861 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.401 15.602 -4.857 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -11.039 14.141 -5.073 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -12.719 15.939 -5.538 1.00 0.00 C ATOM 0 H VAL A 102 -11.633 17.921 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.352 15.439 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.620 16.216 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.993 13.932 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.069 13.936 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.796 13.507 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.650 15.705 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.521 15.353 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.932 17.001 -5.413 1.00 0.00 H new ATOM 1507 N LYS A 103 -9.076 15.976 -2.996 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.806 15.560 -2.413 1.00 0.00 C ATOM 1509 C LYS A 103 -6.931 16.768 -2.096 1.00 0.00 C ATOM 1510 O LYS A 103 -5.880 16.962 -2.708 1.00 0.00 O ATOM 1511 CB LYS A 103 -7.068 14.617 -3.366 1.00 0.00 C ATOM 1512 CG LYS A 103 -6.100 13.680 -2.666 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.714 12.307 -2.446 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.379 11.762 -1.066 1.00 0.00 C ATOM 1515 NZ LYS A 103 -4.927 11.468 -0.923 1.00 0.00 N ATOM 0 H LYS A 103 -9.001 16.743 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.017 15.033 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.799 14.025 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.521 15.210 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.192 13.582 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.808 14.107 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.796 12.368 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.351 11.618 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.679 12.485 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.953 10.853 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.740 11.099 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.645 10.759 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.380 12.340 -1.070 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.369 17.575 -1.136 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.623 18.762 -0.737 1.00 0.00 C ATOM 1531 C ILE A 104 -5.167 18.422 -0.439 1.00 0.00 C ATOM 1532 O ILE A 104 -4.285 19.276 -0.540 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.247 19.428 0.504 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.678 19.879 0.202 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.398 20.608 0.955 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.758 20.989 -0.822 1.00 0.00 C ATOM 0 H ILE A 104 -8.237 17.429 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.667 19.458 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.279 18.698 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.252 19.024 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -9.148 20.214 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.852 21.068 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.396 20.261 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.338 21.341 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.801 21.258 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.212 21.860 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.318 20.651 -1.760 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.921 17.168 -0.073 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.570 16.713 0.238 1.00 0.00 C ATOM 1550 C HIS A 105 -2.620 16.999 -0.922 1.00 0.00 C ATOM 1551 O HIS A 105 -1.407 17.092 -0.735 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.572 15.217 0.553 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.726 14.852 1.733 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.732 15.566 2.913 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.844 13.841 1.912 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -1.890 15.010 3.766 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -1.338 13.961 3.183 1.00 0.00 N ATOM 0 H HIS A 105 -5.639 16.449 0.016 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.222 17.260 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.597 14.894 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.218 14.670 -0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.586 13.081 1.189 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.687 15.355 4.769 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.648 13.341 3.608 1.00 0.00 H new ATOM 1565 N CYS A 106 -3.181 17.138 -2.118 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.384 17.412 -3.309 1.00 0.00 C ATOM 1567 C CYS A 106 -1.622 18.725 -3.163 1.00 0.00 C ATOM 1568 O CYS A 106 -0.640 18.966 -3.864 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.279 17.462 -4.547 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.562 15.852 -5.320 1.00 0.00 S ATOM 0 H CYS A 106 -4.184 17.066 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.661 16.605 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.241 17.894 -4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.829 18.131 -5.281 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.332 15.998 -6.357 1.00 0.00 H new ATOM 1576 N SER A 107 -2.084 19.572 -2.248 1.00 0.00 N ATOM 1577 CA SER A 107 -1.450 20.864 -2.014 1.00 0.00 C ATOM 1578 C SER A 107 -0.348 20.747 -0.965 1.00 0.00 C ATOM 1579 O SER A 107 0.686 21.409 -1.058 1.00 0.00 O ATOM 1580 CB SER A 107 -2.490 21.893 -1.565 1.00 0.00 C ATOM 1581 OG SER A 107 -2.536 21.988 -0.152 1.00 0.00 O ATOM 0 H SER A 107 -2.895 19.387 -1.657 1.00 0.00 H new ATOM 0 HA SER A 107 -1.002 21.196 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.250 22.867 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.472 21.612 -1.946 1.00 0.00 H new ATOM 0 HG SER A 107 -3.440 21.775 0.161 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.579 19.900 0.033 1.00 0.00 N ATOM 1588 CA ILE A 108 0.393 19.694 1.099 1.00 0.00 C ATOM 1589 C ILE A 108 1.621 18.947 0.588 1.00 0.00 C ATOM 1590 O ILE A 108 2.721 19.100 1.121 1.00 0.00 O ATOM 1591 CB ILE A 108 -0.218 18.910 2.275 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -1.245 19.772 3.012 1.00 0.00 C ATOM 1593 CG2 ILE A 108 0.874 18.446 3.228 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.585 19.845 2.315 1.00 0.00 C ATOM 0 H ILE A 108 -1.430 19.346 0.125 1.00 0.00 H new ATOM 0 HA ILE A 108 0.691 20.683 1.448 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.726 18.030 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.388 19.373 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.847 20.781 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.426 17.893 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.571 17.800 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.408 19.312 3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.263 20.472 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.455 20.272 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.005 18.843 2.227 1.00 0.00 H new ATOM 1606 N LEU A 109 1.425 18.140 -0.449 1.00 0.00 N ATOM 1607 CA LEU A 109 2.517 17.369 -1.034 1.00 0.00 C ATOM 1608 C LEU A 109 3.448 18.270 -1.839 1.00 0.00 C ATOM 1609 O LEU A 109 4.635 17.978 -1.987 1.00 0.00 O ATOM 1610 CB LEU A 109 1.961 16.260 -1.930 1.00 0.00 C ATOM 1611 CG LEU A 109 1.574 14.960 -1.226 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.320 14.368 -1.850 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.721 13.962 -1.280 1.00 0.00 C ATOM 0 H LEU A 109 0.521 18.003 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 109 3.088 16.919 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.082 16.645 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.705 16.029 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 109 1.363 15.184 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.060 13.443 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.502 15.078 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.502 14.158 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.427 13.042 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.964 13.742 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.595 14.385 -0.785 1.00 0.00 H new ATOM 1625 N ALA A 110 2.903 19.366 -2.355 1.00 0.00 N ATOM 1626 CA ALA A 110 3.686 20.312 -3.142 1.00 0.00 C ATOM 1627 C ALA A 110 4.731 21.010 -2.278 1.00 0.00 C ATOM 1628 O ALA A 110 5.878 21.177 -2.691 1.00 0.00 O ATOM 1629 CB ALA A 110 2.772 21.335 -3.799 1.00 0.00 C ATOM 0 H ALA A 110 1.922 19.622 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 110 4.208 19.756 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.370 22.035 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.067 20.825 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.224 21.880 -3.030 1.00 0.00 H new ATOM 1635 N GLU A 111 4.325 21.417 -1.079 1.00 0.00 N ATOM 1636 CA GLU A 111 5.228 22.099 -0.159 1.00 0.00 C ATOM 1637 C GLU A 111 6.143 21.101 0.545 1.00 0.00 C ATOM 1638 O GLU A 111 7.212 21.463 1.038 1.00 0.00 O ATOM 1639 CB GLU A 111 4.431 22.896 0.875 1.00 0.00 C ATOM 1640 CG GLU A 111 3.552 22.032 1.764 1.00 0.00 C ATOM 1641 CD GLU A 111 3.628 22.430 3.225 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.021 23.582 3.505 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.295 21.591 4.087 1.00 0.00 O ATOM 0 H GLU A 111 3.378 21.287 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 111 5.846 22.785 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.124 23.459 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.806 23.624 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.518 22.103 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.850 20.989 1.660 1.00 0.00 H new ATOM 1650 N ASP A 112 5.715 19.844 0.589 1.00 0.00 N ATOM 1651 CA ASP A 112 6.495 18.794 1.233 1.00 0.00 C ATOM 1652 C ASP A 112 7.616 18.311 0.318 1.00 0.00 C ATOM 1653 O ASP A 112 8.595 17.722 0.776 1.00 0.00 O ATOM 1654 CB ASP A 112 5.591 17.620 1.614 1.00 0.00 C ATOM 1655 CG ASP A 112 4.671 17.951 2.773 1.00 0.00 C ATOM 1656 OD1 ASP A 112 4.794 19.062 3.329 1.00 0.00 O ATOM 1657 OD2 ASP A 112 3.829 17.098 3.124 1.00 0.00 O ATOM 0 H ASP A 112 4.833 19.528 0.187 1.00 0.00 H new ATOM 0 HA ASP A 112 6.941 19.209 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.993 17.330 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.208 16.761 1.877 1.00 0.00 H new ATOM 1662 N ALA A 113 7.466 18.565 -0.978 1.00 0.00 N ATOM 1663 CA ALA A 113 8.466 18.158 -1.957 1.00 0.00 C ATOM 1664 C ALA A 113 9.588 19.185 -2.056 1.00 0.00 C ATOM 1665 O ALA A 113 10.767 18.844 -1.951 1.00 0.00 O ATOM 1666 CB ALA A 113 7.819 17.948 -3.318 1.00 0.00 C ATOM 0 H ALA A 113 6.661 19.051 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 113 8.900 17.215 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.578 17.644 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.058 17.171 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.356 18.878 -3.648 1.00 0.00 H new ATOM 1672 N ILE A 114 9.215 20.444 -2.258 1.00 0.00 N ATOM 1673 CA ILE A 114 10.191 21.522 -2.370 1.00 0.00 C ATOM 1674 C ILE A 114 11.156 21.513 -1.190 1.00 0.00 C ATOM 1675 O ILE A 114 12.357 21.728 -1.354 1.00 0.00 O ATOM 1676 CB ILE A 114 9.504 22.898 -2.447 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.569 23.093 -1.251 1.00 0.00 C ATOM 1678 CG2 ILE A 114 8.736 23.034 -3.753 1.00 0.00 C ATOM 1679 CD1 ILE A 114 9.170 23.935 -0.147 1.00 0.00 C ATOM 0 H ILE A 114 8.244 20.743 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 114 10.746 21.351 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 114 10.270 23.673 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.647 23.562 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.300 22.117 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.256 24.012 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.424 22.933 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.977 22.254 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.453 24.032 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.077 23.457 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.414 24.924 -0.535 1.00 0.00 H new ATOM 1691 N LYS A 115 10.624 21.262 0.002 1.00 0.00 N ATOM 1692 CA LYS A 115 11.438 21.222 1.211 1.00 0.00 C ATOM 1693 C LYS A 115 12.391 20.031 1.186 1.00 0.00 C ATOM 1694 O LYS A 115 13.549 20.143 1.586 1.00 0.00 O ATOM 1695 CB LYS A 115 10.543 21.148 2.450 1.00 0.00 C ATOM 1696 CG LYS A 115 11.293 21.356 3.755 1.00 0.00 C ATOM 1697 CD LYS A 115 11.692 20.032 4.385 1.00 0.00 C ATOM 1698 CE LYS A 115 13.157 20.030 4.795 1.00 0.00 C ATOM 1699 NZ LYS A 115 13.460 18.940 5.764 1.00 0.00 N ATOM 0 H LYS A 115 9.632 21.083 0.156 1.00 0.00 H new ATOM 0 HA LYS A 115 12.030 22.137 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.759 21.901 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.050 20.176 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.184 21.956 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.668 21.917 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.068 19.840 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.509 19.222 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.782 19.913 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.411 20.992 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.397 19.101 6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.740 18.932 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.455 18.025 5.270 1.00 0.00 H new ATOM 1713 N ALA A 116 11.895 18.892 0.713 1.00 0.00 N ATOM 1714 CA ALA A 116 12.704 17.682 0.633 1.00 0.00 C ATOM 1715 C ALA A 116 13.986 17.929 -0.155 1.00 0.00 C ATOM 1716 O ALA A 116 14.992 17.252 0.051 1.00 0.00 O ATOM 1717 CB ALA A 116 11.903 16.553 0.002 1.00 0.00 C ATOM 0 H ALA A 116 10.937 18.782 0.380 1.00 0.00 H new ATOM 0 HA ALA A 116 12.982 17.393 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.519 15.655 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.020 16.351 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.596 16.842 -1.003 1.00 0.00 H new ATOM 1723 N ALA A 117 13.941 18.903 -1.058 1.00 0.00 N ATOM 1724 CA ALA A 117 15.099 19.240 -1.876 1.00 0.00 C ATOM 1725 C ALA A 117 16.087 20.105 -1.099 1.00 0.00 C ATOM 1726 O ALA A 117 17.301 19.963 -1.248 1.00 0.00 O ATOM 1727 CB ALA A 117 14.659 19.951 -3.147 1.00 0.00 C ATOM 0 H ALA A 117 13.115 19.472 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 117 15.603 18.312 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.534 20.197 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.998 19.299 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.129 20.867 -2.887 1.00 0.00 H new ATOM 1733 N ILE A 118 15.559 21.000 -0.272 1.00 0.00 N ATOM 1734 CA ILE A 118 16.394 21.887 0.528 1.00 0.00 C ATOM 1735 C ILE A 118 17.183 21.105 1.573 1.00 0.00 C ATOM 1736 O ILE A 118 18.334 21.428 1.866 1.00 0.00 O ATOM 1737 CB ILE A 118 15.554 22.966 1.237 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.786 23.801 0.210 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.445 23.855 2.092 1.00 0.00 C ATOM 1740 CD1 ILE A 118 13.919 24.874 0.831 1.00 0.00 C ATOM 0 H ILE A 118 14.556 21.130 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 118 17.087 22.372 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 118 14.833 22.474 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.497 24.269 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.159 23.140 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.836 24.612 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 118 16.951 23.248 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.187 24.342 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.404 25.426 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.184 24.412 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.543 25.558 1.406 1.00 0.00 H new ATOM 1752 N ALA A 119 16.556 20.075 2.130 1.00 0.00 N ATOM 1753 CA ALA A 119 17.201 19.244 3.140 1.00 0.00 C ATOM 1754 C ALA A 119 18.203 18.286 2.504 1.00 0.00 C ATOM 1755 O ALA A 119 19.105 17.783 3.174 1.00 0.00 O ATOM 1756 CB ALA A 119 16.157 18.470 3.931 1.00 0.00 C ATOM 0 H ALA A 119 15.602 19.796 1.900 1.00 0.00 H new ATOM 0 HA ALA A 119 17.745 19.899 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.652 17.854 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.482 19.169 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.588 17.831 3.255 1.00 0.00 H new ATOM 1762 N ASP A 120 18.038 18.038 1.210 1.00 0.00 N ATOM 1763 CA ASP A 120 18.929 17.140 0.484 1.00 0.00 C ATOM 1764 C ASP A 120 20.291 17.789 0.263 1.00 0.00 C ATOM 1765 O ASP A 120 21.321 17.113 0.275 1.00 0.00 O ATOM 1766 CB ASP A 120 18.311 16.751 -0.860 1.00 0.00 C ATOM 1767 CG ASP A 120 18.131 15.252 -1.003 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.099 14.731 -0.531 1.00 0.00 O ATOM 1769 OD2 ASP A 120 19.022 14.601 -1.587 1.00 0.00 O ATOM 0 H ASP A 120 17.296 18.446 0.642 1.00 0.00 H new ATOM 0 HA ASP A 120 19.068 16.241 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.344 17.242 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.945 17.116 -1.668 1.00 0.00 H new ATOM 1774 N TYR A 121 20.290 19.101 0.060 1.00 0.00 N ATOM 1775 CA TYR A 121 21.526 19.841 -0.168 1.00 0.00 C ATOM 1776 C TYR A 121 22.426 19.789 1.063 1.00 0.00 C ATOM 1777 O TYR A 121 23.615 19.483 0.965 1.00 0.00 O ATOM 1778 CB TYR A 121 21.216 21.295 -0.525 1.00 0.00 C ATOM 1779 CG TYR A 121 22.438 22.185 -0.556 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.625 21.749 -1.132 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.407 23.461 -0.008 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.745 22.558 -1.161 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.521 24.278 -0.034 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.687 23.821 -0.612 1.00 0.00 C ATOM 1785 OH TYR A 121 25.800 24.631 -0.638 1.00 0.00 O ATOM 0 H TYR A 121 19.447 19.675 0.049 1.00 0.00 H new ATOM 0 HA TYR A 121 22.051 19.374 -1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.730 21.325 -1.500 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.505 21.694 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.673 20.761 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.496 23.821 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.660 22.203 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.479 25.268 0.395 1.00 0.00 H new ATOM 0 HH TYR A 121 25.591 25.488 -0.211 1.00 0.00 H new ATOM 1795 N LYS A 122 21.851 20.089 2.222 1.00 0.00 N ATOM 1796 CA LYS A 122 22.598 20.075 3.474 1.00 0.00 C ATOM 1797 C LYS A 122 23.182 18.692 3.744 1.00 0.00 C ATOM 1798 O LYS A 122 24.133 18.549 4.513 1.00 0.00 O ATOM 1799 CB LYS A 122 21.694 20.494 4.636 1.00 0.00 C ATOM 1800 CG LYS A 122 20.945 21.791 4.387 1.00 0.00 C ATOM 1801 CD LYS A 122 20.384 22.368 5.676 1.00 0.00 C ATOM 1802 CE LYS A 122 19.089 23.127 5.430 1.00 0.00 C ATOM 1803 NZ LYS A 122 18.441 23.545 6.704 1.00 0.00 N ATOM 0 H LYS A 122 20.869 20.345 2.321 1.00 0.00 H new ATOM 0 HA LYS A 122 23.419 20.786 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 122 20.973 19.699 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.300 20.601 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.615 22.516 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.132 21.613 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.205 21.563 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.118 23.036 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.294 24.007 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.402 22.499 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.562 24.059 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 18.222 22.703 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 19.086 24.165 7.235 1.00 0.00 H new ATOM 1817 N SER A 123 22.608 17.677 3.106 1.00 0.00 N ATOM 1818 CA SER A 123 23.071 16.305 3.279 1.00 0.00 C ATOM 1819 C SER A 123 24.299 16.033 2.416 1.00 0.00 C ATOM 1820 O SER A 123 25.095 15.141 2.710 1.00 0.00 O ATOM 1821 CB SER A 123 21.956 15.320 2.925 1.00 0.00 C ATOM 1822 OG SER A 123 21.751 14.384 3.969 1.00 0.00 O ATOM 0 H SER A 123 21.821 17.779 2.465 1.00 0.00 H new ATOM 0 HA SER A 123 23.347 16.170 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.032 15.865 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.210 14.793 2.005 1.00 0.00 H new ATOM 0 HG SER A 123 21.032 13.767 3.719 1.00 0.00 H new ATOM 1828 N LYS A 124 24.448 16.810 1.348 1.00 0.00 N ATOM 1829 CA LYS A 124 25.579 16.656 0.441 1.00 0.00 C ATOM 1830 C LYS A 124 26.881 17.067 1.120 1.00 0.00 C ATOM 1831 O LYS A 124 27.964 16.645 0.714 1.00 0.00 O ATOM 1832 CB LYS A 124 25.364 17.493 -0.822 1.00 0.00 C ATOM 1833 CG LYS A 124 25.634 16.734 -2.109 1.00 0.00 C ATOM 1834 CD LYS A 124 24.609 15.635 -2.334 1.00 0.00 C ATOM 1835 CE LYS A 124 25.244 14.255 -2.260 1.00 0.00 C ATOM 1836 NZ LYS A 124 25.978 13.915 -3.510 1.00 0.00 N ATOM 0 H LYS A 124 23.799 17.553 1.090 1.00 0.00 H new ATOM 0 HA LYS A 124 25.650 15.604 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.337 17.859 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.014 18.367 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.617 17.426 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 124 26.633 16.299 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.820 15.714 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 124 24.139 15.768 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 124 25.930 14.216 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.471 13.509 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.396 12.967 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 25.319 13.928 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 26.733 14.613 -3.670 1.00 0.00 H new ATOM 1850 N ARG A 125 26.768 17.890 2.157 1.00 0.00 N ATOM 1851 CA ARG A 125 27.937 18.357 2.893 1.00 0.00 C ATOM 1852 C ARG A 125 27.932 17.818 4.320 1.00 0.00 C ATOM 1853 O ARG A 125 28.871 18.047 5.083 1.00 0.00 O ATOM 1854 CB ARG A 125 27.976 19.886 2.914 1.00 0.00 C ATOM 1855 CG ARG A 125 26.728 20.519 3.510 1.00 0.00 C ATOM 1856 CD ARG A 125 27.036 21.231 4.818 1.00 0.00 C ATOM 1857 NE ARG A 125 27.251 22.662 4.624 1.00 0.00 N ATOM 1858 CZ ARG A 125 27.323 23.536 5.622 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.198 23.127 6.877 1.00 0.00 N ATOM 1860 NH2 ARG A 125 27.522 24.823 5.366 1.00 0.00 N ATOM 0 H ARG A 125 25.879 18.247 2.507 1.00 0.00 H new ATOM 0 HA ARG A 125 28.827 17.985 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.846 20.211 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 125 28.108 20.252 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.303 21.228 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.975 19.750 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 125 26.213 21.079 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.923 20.789 5.271 1.00 0.00 H new ATOM 0 HE ARG A 125 27.351 23.010 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.046 22.139 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 125 27.254 23.801 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 125 27.620 25.142 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 125 27.577 25.493 6.133 1.00 0.00 H new