USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 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 Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -107:sc= -0.0789 (180deg=-0.62) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0268 USER MOD Single : A 41 MET CE :methyl 154:sc= -0.357 (180deg=-1.21) USER MOD Single : A 42 LYS NZ :NH3+ 136:sc= -0.332 (180deg=-2.08!) USER MOD Single : A 44 GLN : amide:sc= -0.503 K(o=-0.5,f=-6.3!) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.0579 (180deg=-0.429) USER MOD Single : A 48 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= -1.41 (180deg=-4.63!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 159:sc= 0.554 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -85:sc= 0.332 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.103) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -0.0196 (180deg=-0.0196) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 86 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.048) USER MOD Single : A 89 LYS NZ :NH3+ 160:sc= -0.0661 (180deg=-0.44) USER MOD Single : A 90 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 87:sc= 1.25 USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= 0.125 (180deg=-0.624) USER MOD Single : A 121 TYR OH : rot 98:sc= 0.36 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+ -179:sc= 0 (180deg=-0.00167) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 26.214 20.343 -4.698 1.00 0.00 N ATOM 385 CA ASN A 26 25.436 21.469 -4.195 1.00 0.00 C ATOM 386 C ASN A 26 24.036 21.477 -4.802 1.00 0.00 C ATOM 387 O ASN A 26 23.370 22.512 -4.840 1.00 0.00 O ATOM 388 CB ASN A 26 26.147 22.787 -4.506 1.00 0.00 C ATOM 389 CG ASN A 26 27.225 22.628 -5.561 1.00 0.00 C ATOM 390 OD1 ASN A 26 28.413 22.566 -5.245 1.00 0.00 O ATOM 391 ND2 ASN A 26 26.814 22.560 -6.822 1.00 0.00 N ATOM 0 HA ASN A 26 25.344 21.361 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.415 23.520 -4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.592 23.181 -3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.494 22.452 -7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 26 25.819 22.616 -7.038 1.00 0.00 H new ATOM 398 N VAL A 27 23.596 20.316 -5.275 1.00 0.00 N ATOM 399 CA VAL A 27 22.275 20.188 -5.879 1.00 0.00 C ATOM 400 C VAL A 27 21.238 19.760 -4.847 1.00 0.00 C ATOM 401 O VAL A 27 21.545 19.021 -3.912 1.00 0.00 O ATOM 402 CB VAL A 27 22.282 19.170 -7.035 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.911 19.096 -7.690 1.00 0.00 C ATOM 404 CG2 VAL A 27 23.351 19.531 -8.056 1.00 0.00 C ATOM 0 H VAL A 27 24.135 19.450 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 27 22.010 21.170 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 27 22.517 18.186 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.935 18.372 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.171 18.787 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.643 20.076 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 27 23.342 18.801 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.149 20.523 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.329 19.527 -7.575 1.00 0.00 H new ATOM 414 N GLY A 28 20.006 20.230 -5.023 1.00 0.00 N ATOM 415 CA GLY A 28 18.941 19.885 -4.099 1.00 0.00 C ATOM 416 C GLY A 28 17.868 19.030 -4.744 1.00 0.00 C ATOM 417 O GLY A 28 17.111 19.506 -5.589 1.00 0.00 O ATOM 0 H GLY A 28 19.727 20.843 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.362 19.352 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.490 20.799 -3.712 1.00 0.00 H new ATOM 421 N SER A 29 17.804 17.764 -4.345 1.00 0.00 N ATOM 422 CA SER A 29 16.819 16.839 -4.894 1.00 0.00 C ATOM 423 C SER A 29 15.825 16.404 -3.822 1.00 0.00 C ATOM 424 O SER A 29 16.214 15.963 -2.741 1.00 0.00 O ATOM 425 CB SER A 29 17.516 15.612 -5.488 1.00 0.00 C ATOM 426 OG SER A 29 18.760 15.963 -6.068 1.00 0.00 O ATOM 0 H SER A 29 18.422 17.355 -3.644 1.00 0.00 H new ATOM 0 HA SER A 29 16.272 17.355 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.672 14.866 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.875 15.156 -6.243 1.00 0.00 H new ATOM 0 HG SER A 29 19.186 15.162 -6.439 1.00 0.00 H new ATOM 432 N GLY A 30 14.538 16.533 -4.130 1.00 0.00 N ATOM 433 CA GLY A 30 13.507 16.150 -3.183 1.00 0.00 C ATOM 434 C GLY A 30 12.245 15.661 -3.866 1.00 0.00 C ATOM 435 O GLY A 30 11.768 16.278 -4.818 1.00 0.00 O ATOM 0 H GLY A 30 14.191 16.896 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.891 15.366 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.266 17.003 -2.548 1.00 0.00 H new ATOM 439 N MET A 31 11.705 14.548 -3.381 1.00 0.00 N ATOM 440 CA MET A 31 10.491 13.976 -3.952 1.00 0.00 C ATOM 441 C MET A 31 9.540 13.513 -2.853 1.00 0.00 C ATOM 442 O MET A 31 9.971 13.127 -1.767 1.00 0.00 O ATOM 443 CB MET A 31 10.838 12.803 -4.871 1.00 0.00 C ATOM 444 CG MET A 31 10.994 11.481 -4.136 1.00 0.00 C ATOM 445 SD MET A 31 11.722 10.195 -5.168 1.00 0.00 S ATOM 446 CE MET A 31 10.257 9.300 -5.679 1.00 0.00 C ATOM 0 H MET A 31 12.089 14.024 -2.594 1.00 0.00 H new ATOM 0 HA MET A 31 9.993 14.750 -4.536 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.058 12.700 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.765 13.027 -5.399 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.618 11.631 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.018 11.149 -3.783 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.213 8.345 -5.155 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.370 9.887 -5.439 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.295 9.123 -6.754 1.00 0.00 H new ATOM 456 N VAL A 32 8.243 13.553 -3.144 1.00 0.00 N ATOM 457 CA VAL A 32 7.231 13.137 -2.181 1.00 0.00 C ATOM 458 C VAL A 32 6.075 12.423 -2.873 1.00 0.00 C ATOM 459 O VAL A 32 5.786 12.676 -4.041 1.00 0.00 O ATOM 460 CB VAL A 32 6.679 14.339 -1.392 1.00 0.00 C ATOM 461 CG1 VAL A 32 7.809 15.097 -0.713 1.00 0.00 C ATOM 462 CG2 VAL A 32 5.884 15.258 -2.308 1.00 0.00 C ATOM 0 H VAL A 32 7.869 13.869 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 32 7.717 12.450 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 32 6.008 13.966 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.399 15.943 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.331 14.432 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.508 15.460 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.501 16.102 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.530 15.625 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.050 14.706 -2.742 1.00 0.00 H new ATOM 472 N GLY A 33 5.416 11.529 -2.142 1.00 0.00 N ATOM 473 CA GLY A 33 4.298 10.792 -2.702 1.00 0.00 C ATOM 474 C GLY A 33 3.332 10.308 -1.638 1.00 0.00 C ATOM 475 O GLY A 33 3.442 10.685 -0.472 1.00 0.00 O ATOM 0 H GLY A 33 5.636 11.302 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.766 11.428 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.675 9.937 -3.263 1.00 0.00 H new ATOM 479 N ALA A 34 2.382 9.470 -2.042 1.00 0.00 N ATOM 480 CA ALA A 34 1.393 8.933 -1.115 1.00 0.00 C ATOM 481 C ALA A 34 0.790 7.637 -1.646 1.00 0.00 C ATOM 482 O ALA A 34 0.621 7.451 -2.851 1.00 0.00 O ATOM 483 CB ALA A 34 0.300 9.959 -0.856 1.00 0.00 C ATOM 0 H ALA A 34 2.277 9.149 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 34 1.897 8.710 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.431 9.544 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.740 10.858 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.193 10.211 -1.795 1.00 0.00 H new ATOM 489 N PRO A 35 0.458 6.718 -0.727 1.00 0.00 N ATOM 490 CA PRO A 35 -0.131 5.423 -1.080 1.00 0.00 C ATOM 491 C PRO A 35 -1.557 5.558 -1.603 1.00 0.00 C ATOM 492 O PRO A 35 -1.901 5.007 -2.648 1.00 0.00 O ATOM 493 CB PRO A 35 -0.117 4.654 0.243 1.00 0.00 C ATOM 494 CG PRO A 35 -0.134 5.710 1.294 1.00 0.00 C ATOM 495 CD PRO A 35 0.632 6.872 0.727 1.00 0.00 C ATOM 0 HA PRO A 35 0.420 4.930 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.982 3.997 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.770 4.026 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.156 5.999 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.326 5.351 2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.237 7.825 1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.684 6.838 1.012 1.00 0.00 H new ATOM 503 N ALA A 36 -2.384 6.297 -0.869 1.00 0.00 N ATOM 504 CA ALA A 36 -3.772 6.506 -1.260 1.00 0.00 C ATOM 505 C ALA A 36 -3.879 7.547 -2.370 1.00 0.00 C ATOM 506 O ALA A 36 -4.860 7.576 -3.114 1.00 0.00 O ATOM 507 CB ALA A 36 -4.602 6.929 -0.057 1.00 0.00 C ATOM 0 H ALA A 36 -2.116 6.760 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.161 5.562 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.637 7.082 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.561 6.151 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.204 7.858 0.351 1.00 0.00 H new ATOM 513 N CYS A 37 -2.865 8.399 -2.475 1.00 0.00 N ATOM 514 CA CYS A 37 -2.846 9.443 -3.494 1.00 0.00 C ATOM 515 C CYS A 37 -2.415 8.877 -4.843 1.00 0.00 C ATOM 516 O CYS A 37 -2.788 9.398 -5.894 1.00 0.00 O ATOM 517 CB CYS A 37 -1.904 10.574 -3.077 1.00 0.00 C ATOM 518 SG CYS A 37 -2.260 12.159 -3.869 1.00 0.00 S ATOM 0 H CYS A 37 -2.046 8.388 -1.867 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.857 9.840 -3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.960 10.699 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.880 10.285 -3.312 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.413 13.052 -3.452 1.00 0.00 H new ATOM 524 N GLY A 38 -1.624 7.809 -4.806 1.00 0.00 N ATOM 525 CA GLY A 38 -1.154 7.191 -6.033 1.00 0.00 C ATOM 526 C GLY A 38 -0.528 8.193 -6.983 1.00 0.00 C ATOM 527 O GLY A 38 -0.979 8.349 -8.117 1.00 0.00 O ATOM 0 H GLY A 38 -1.300 7.361 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.424 6.419 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.988 6.696 -6.530 1.00 0.00 H new ATOM 531 N ALA A 39 0.514 8.875 -6.518 1.00 0.00 N ATOM 532 CA ALA A 39 1.203 9.867 -7.335 1.00 0.00 C ATOM 533 C ALA A 39 2.605 10.140 -6.800 1.00 0.00 C ATOM 534 O ALA A 39 2.949 9.728 -5.692 1.00 0.00 O ATOM 535 CB ALA A 39 0.397 11.156 -7.392 1.00 0.00 C ATOM 0 H ALA A 39 0.899 8.759 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 39 1.299 9.467 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.923 11.887 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.582 10.954 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.271 11.551 -6.384 1.00 0.00 H new ATOM 541 N VAL A 40 3.411 10.837 -7.595 1.00 0.00 N ATOM 542 CA VAL A 40 4.775 11.166 -7.201 1.00 0.00 C ATOM 543 C VAL A 40 5.169 12.555 -7.691 1.00 0.00 C ATOM 544 O VAL A 40 4.955 12.898 -8.853 1.00 0.00 O ATOM 545 CB VAL A 40 5.781 10.136 -7.748 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.166 10.381 -7.169 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.311 8.721 -7.447 1.00 0.00 C ATOM 0 H VAL A 40 3.142 11.184 -8.516 1.00 0.00 H new ATOM 0 HA VAL A 40 4.803 11.147 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 40 5.841 10.252 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.863 9.643 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.502 11.382 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.127 10.294 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.034 8.006 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.221 8.589 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.342 8.552 -7.916 1.00 0.00 H new ATOM 557 N MET A 41 5.748 13.350 -6.797 1.00 0.00 N ATOM 558 CA MET A 41 6.174 14.702 -7.140 1.00 0.00 C ATOM 559 C MET A 41 7.655 14.900 -6.831 1.00 0.00 C ATOM 560 O MET A 41 8.048 15.011 -5.669 1.00 0.00 O ATOM 561 CB MET A 41 5.339 15.732 -6.376 1.00 0.00 C ATOM 562 CG MET A 41 3.848 15.437 -6.391 1.00 0.00 C ATOM 563 SD MET A 41 2.868 16.777 -5.687 1.00 0.00 S ATOM 564 CE MET A 41 3.332 18.135 -6.759 1.00 0.00 C ATOM 0 H MET A 41 5.933 13.082 -5.830 1.00 0.00 H new ATOM 0 HA MET A 41 6.022 14.844 -8.210 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.683 15.772 -5.342 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.510 16.718 -6.807 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.527 15.258 -7.417 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.657 14.520 -5.833 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.529 18.872 -6.781 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.243 18.601 -6.383 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.507 17.759 -7.767 1.00 0.00 H new ATOM 574 N LYS A 42 8.472 14.943 -7.877 1.00 0.00 N ATOM 575 CA LYS A 42 9.910 15.129 -7.718 1.00 0.00 C ATOM 576 C LYS A 42 10.336 16.512 -8.199 1.00 0.00 C ATOM 577 O LYS A 42 9.909 16.971 -9.260 1.00 0.00 O ATOM 578 CB LYS A 42 10.672 14.051 -8.492 1.00 0.00 C ATOM 579 CG LYS A 42 12.009 13.687 -7.870 1.00 0.00 C ATOM 580 CD LYS A 42 13.163 13.994 -8.810 1.00 0.00 C ATOM 581 CE LYS A 42 13.644 12.742 -9.528 1.00 0.00 C ATOM 582 NZ LYS A 42 14.317 13.066 -10.817 1.00 0.00 N ATOM 0 H LYS A 42 8.163 14.852 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 42 10.148 15.044 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.054 13.155 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.837 14.397 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.140 14.238 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.017 12.627 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.849 14.737 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.987 14.431 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.335 12.197 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.796 12.083 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.184 12.499 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.677 12.849 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.561 14.077 -10.837 1.00 0.00 H new ATOM 596 N LEU A 43 11.181 17.172 -7.415 1.00 0.00 N ATOM 597 CA LEU A 43 11.667 18.503 -7.761 1.00 0.00 C ATOM 598 C LEU A 43 13.180 18.592 -7.589 1.00 0.00 C ATOM 599 O LEU A 43 13.742 18.022 -6.654 1.00 0.00 O ATOM 600 CB LEU A 43 10.980 19.560 -6.895 1.00 0.00 C ATOM 601 CG LEU A 43 9.832 20.326 -7.554 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.513 19.602 -7.336 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.759 21.746 -7.014 1.00 0.00 C ATOM 0 H LEU A 43 11.544 16.807 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 43 11.428 18.689 -8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.597 19.073 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.732 20.280 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 43 10.022 20.376 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.708 20.162 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.569 18.605 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.315 19.520 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.936 22.276 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.593 21.718 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.695 22.263 -7.223 1.00 0.00 H new ATOM 615 N GLN A 44 13.832 19.313 -8.496 1.00 0.00 N ATOM 616 CA GLN A 44 15.280 19.478 -8.442 1.00 0.00 C ATOM 617 C GLN A 44 15.660 20.955 -8.452 1.00 0.00 C ATOM 618 O GLN A 44 15.144 21.733 -9.255 1.00 0.00 O ATOM 619 CB GLN A 44 15.940 18.761 -9.621 1.00 0.00 C ATOM 620 CG GLN A 44 16.978 17.732 -9.203 1.00 0.00 C ATOM 621 CD GLN A 44 16.355 16.431 -8.737 1.00 0.00 C ATOM 622 OE1 GLN A 44 15.303 16.427 -8.097 1.00 0.00 O ATOM 623 NE2 GLN A 44 17.003 15.317 -9.056 1.00 0.00 N ATOM 0 H GLN A 44 13.381 19.791 -9.276 1.00 0.00 H new ATOM 0 HA GLN A 44 15.637 19.036 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.169 18.268 -10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.413 19.501 -10.267 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.644 17.531 -10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.591 18.145 -8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.872 15.367 -9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.632 14.411 -8.769 1.00 0.00 H new ATOM 632 N ILE A 45 16.564 21.334 -7.555 1.00 0.00 N ATOM 633 CA ILE A 45 17.013 22.718 -7.462 1.00 0.00 C ATOM 634 C ILE A 45 18.535 22.805 -7.498 1.00 0.00 C ATOM 635 O ILE A 45 19.228 21.790 -7.433 1.00 0.00 O ATOM 636 CB ILE A 45 16.501 23.391 -6.175 1.00 0.00 C ATOM 637 CG1 ILE A 45 16.901 22.566 -4.949 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.991 23.565 -6.233 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.540 23.224 -3.635 1.00 0.00 C ATOM 0 H ILE A 45 17.000 20.703 -6.883 1.00 0.00 H new ATOM 0 HA ILE A 45 16.601 23.242 -8.324 1.00 0.00 H new ATOM 0 HB ILE A 45 16.958 24.377 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.417 21.591 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 45 17.976 22.390 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.644 24.042 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.729 24.188 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.516 22.589 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.852 22.584 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.045 24.187 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.462 23.376 -3.588 1.00 0.00 H new ATOM 651 N LYS A 46 19.050 24.026 -7.599 1.00 0.00 N ATOM 652 CA LYS A 46 20.490 24.249 -7.639 1.00 0.00 C ATOM 653 C LYS A 46 20.892 25.385 -6.704 1.00 0.00 C ATOM 654 O LYS A 46 20.454 26.523 -6.870 1.00 0.00 O ATOM 655 CB LYS A 46 20.938 24.568 -9.068 1.00 0.00 C ATOM 656 CG LYS A 46 22.339 24.078 -9.389 1.00 0.00 C ATOM 657 CD LYS A 46 23.363 24.642 -8.419 1.00 0.00 C ATOM 658 CE LYS A 46 24.781 24.465 -8.940 1.00 0.00 C ATOM 659 NZ LYS A 46 25.030 25.282 -10.160 1.00 0.00 N ATOM 0 H LYS A 46 18.490 24.877 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 46 20.983 23.336 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.235 24.118 -9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.895 25.646 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.362 22.989 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.602 24.367 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.165 25.701 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.264 24.145 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.491 24.747 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.956 23.413 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 26.053 25.424 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.649 24.788 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.562 26.206 -10.061 1.00 0.00 H new ATOM 673 N VAL A 47 21.729 25.068 -5.721 1.00 0.00 N ATOM 674 CA VAL A 47 22.191 26.062 -4.760 1.00 0.00 C ATOM 675 C VAL A 47 23.669 26.377 -4.964 1.00 0.00 C ATOM 676 O VAL A 47 24.449 25.513 -5.361 1.00 0.00 O ATOM 677 CB VAL A 47 21.974 25.588 -3.311 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.383 26.672 -2.327 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.524 25.180 -3.097 1.00 0.00 C ATOM 0 H VAL A 47 22.101 24.130 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 47 21.602 26.963 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 47 22.603 24.716 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.222 26.318 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.437 26.911 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.783 27.565 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.388 24.848 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.874 26.033 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.271 24.367 -3.777 1.00 0.00 H new ATOM 689 N ASN A 48 24.047 27.622 -4.690 1.00 0.00 N ATOM 690 CA ASN A 48 25.432 28.052 -4.843 1.00 0.00 C ATOM 691 C ASN A 48 26.141 28.095 -3.493 1.00 0.00 C ATOM 692 O ASN A 48 25.614 27.615 -2.488 1.00 0.00 O ATOM 693 CB ASN A 48 25.490 29.429 -5.506 1.00 0.00 C ATOM 694 CG ASN A 48 24.134 29.887 -6.008 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.539 29.259 -6.884 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.639 30.987 -5.453 1.00 0.00 N ATOM 0 H ASN A 48 23.413 28.350 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 48 25.943 27.328 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.875 30.157 -4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 48 26.192 29.399 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.731 31.343 -5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.167 31.475 -4.730 1.00 0.00 H new ATOM 703 N ASP A 49 27.337 28.672 -3.477 1.00 0.00 N ATOM 704 CA ASP A 49 28.118 28.780 -2.250 1.00 0.00 C ATOM 705 C ASP A 49 27.501 29.803 -1.302 1.00 0.00 C ATOM 706 O ASP A 49 27.904 29.912 -0.144 1.00 0.00 O ATOM 707 CB ASP A 49 29.562 29.169 -2.572 1.00 0.00 C ATOM 708 CG ASP A 49 30.416 27.972 -2.939 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.176 26.879 -2.384 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.324 28.127 -3.782 1.00 0.00 O ATOM 0 H ASP A 49 27.787 29.072 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 49 28.114 27.807 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.568 29.882 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.000 29.674 -1.711 1.00 0.00 H new ATOM 715 N GLU A 50 26.524 30.552 -1.802 1.00 0.00 N ATOM 716 CA GLU A 50 25.853 31.568 -0.999 1.00 0.00 C ATOM 717 C GLU A 50 24.644 30.981 -0.276 1.00 0.00 C ATOM 718 O GLU A 50 24.105 31.587 0.649 1.00 0.00 O ATOM 719 CB GLU A 50 25.415 32.740 -1.880 1.00 0.00 C ATOM 720 CG GLU A 50 26.262 33.989 -1.697 1.00 0.00 C ATOM 721 CD GLU A 50 26.368 34.414 -0.246 1.00 0.00 C ATOM 722 OE1 GLU A 50 25.395 34.201 0.507 1.00 0.00 O ATOM 723 OE2 GLU A 50 27.424 34.960 0.137 1.00 0.00 O ATOM 0 H GLU A 50 26.179 30.475 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 50 26.561 31.929 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.456 32.433 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.375 32.981 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.261 33.807 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.832 34.804 -2.280 1.00 0.00 H new ATOM 730 N GLY A 51 24.223 29.796 -0.707 1.00 0.00 N ATOM 731 CA GLY A 51 23.081 29.146 -0.092 1.00 0.00 C ATOM 732 C GLY A 51 21.761 29.670 -0.622 1.00 0.00 C ATOM 733 O GLY A 51 20.759 29.685 0.094 1.00 0.00 O ATOM 0 H GLY A 51 24.653 29.275 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.139 28.072 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.120 29.294 0.987 1.00 0.00 H new ATOM 737 N ILE A 52 21.759 30.102 -1.878 1.00 0.00 N ATOM 738 CA ILE A 52 20.552 30.630 -2.502 1.00 0.00 C ATOM 739 C ILE A 52 20.204 29.855 -3.769 1.00 0.00 C ATOM 740 O ILE A 52 21.089 29.444 -4.520 1.00 0.00 O ATOM 741 CB ILE A 52 20.706 32.122 -2.853 1.00 0.00 C ATOM 742 CG1 ILE A 52 21.010 32.935 -1.593 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.447 32.639 -3.533 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.971 32.776 -0.505 1.00 0.00 C ATOM 0 H ILE A 52 22.580 30.097 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 52 19.746 30.517 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 52 21.541 32.234 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.982 32.634 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 52 21.086 33.989 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.571 33.695 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.271 32.075 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.596 32.518 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.252 33.381 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 52 19.001 33.104 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.911 31.729 -0.210 1.00 0.00 H new ATOM 756 N ILE A 53 18.910 29.661 -4.000 1.00 0.00 N ATOM 757 CA ILE A 53 18.445 28.939 -5.178 1.00 0.00 C ATOM 758 C ILE A 53 18.618 29.776 -6.440 1.00 0.00 C ATOM 759 O ILE A 53 18.022 30.845 -6.574 1.00 0.00 O ATOM 760 CB ILE A 53 16.966 28.534 -5.042 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.770 27.642 -3.814 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.494 27.822 -6.301 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.413 26.279 -3.948 1.00 0.00 C ATOM 0 H ILE A 53 18.165 29.993 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 53 19.054 28.038 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 53 16.368 29.436 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.183 28.145 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.703 27.515 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.447 27.542 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.603 28.487 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.094 26.926 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.234 25.701 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.983 25.756 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.486 26.396 -4.097 1.00 0.00 H new ATOM 775 N GLU A 54 19.435 29.282 -7.365 1.00 0.00 N ATOM 776 CA GLU A 54 19.684 29.985 -8.618 1.00 0.00 C ATOM 777 C GLU A 54 18.983 29.289 -9.781 1.00 0.00 C ATOM 778 O GLU A 54 18.658 29.917 -10.789 1.00 0.00 O ATOM 779 CB GLU A 54 21.187 30.069 -8.891 1.00 0.00 C ATOM 780 CG GLU A 54 21.525 30.473 -10.316 1.00 0.00 C ATOM 781 CD GLU A 54 22.827 31.244 -10.411 1.00 0.00 C ATOM 782 OE1 GLU A 54 23.569 31.280 -9.407 1.00 0.00 O ATOM 783 OE2 GLU A 54 23.104 31.812 -11.488 1.00 0.00 O ATOM 0 H GLU A 54 19.935 28.398 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 54 19.282 30.994 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.633 30.787 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.641 29.101 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.590 29.580 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.716 31.083 -10.718 1.00 0.00 H new ATOM 790 N ASP A 55 18.754 27.989 -9.634 1.00 0.00 N ATOM 791 CA ASP A 55 18.092 27.207 -10.671 1.00 0.00 C ATOM 792 C ASP A 55 17.027 26.296 -10.068 1.00 0.00 C ATOM 793 O ASP A 55 17.205 25.753 -8.978 1.00 0.00 O ATOM 794 CB ASP A 55 19.115 26.373 -11.443 1.00 0.00 C ATOM 795 CG ASP A 55 20.418 27.116 -11.666 1.00 0.00 C ATOM 796 OD1 ASP A 55 20.386 28.195 -12.295 1.00 0.00 O ATOM 797 OD2 ASP A 55 21.469 26.620 -11.211 1.00 0.00 O ATOM 0 H ASP A 55 19.017 27.454 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 55 17.606 27.900 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.315 25.451 -10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.694 26.087 -12.407 1.00 0.00 H new ATOM 802 N ALA A 56 15.919 26.135 -10.784 1.00 0.00 N ATOM 803 CA ALA A 56 14.826 25.290 -10.320 1.00 0.00 C ATOM 804 C ALA A 56 14.205 24.511 -11.475 1.00 0.00 C ATOM 805 O ALA A 56 13.628 25.097 -12.391 1.00 0.00 O ATOM 806 CB ALA A 56 13.769 26.131 -9.620 1.00 0.00 C ATOM 0 H ALA A 56 15.755 26.579 -11.688 1.00 0.00 H new ATOM 0 HA ALA A 56 15.233 24.571 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.959 25.487 -9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.215 26.637 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.375 26.872 -10.315 1.00 0.00 H new ATOM 812 N ARG A 57 14.328 23.189 -11.425 1.00 0.00 N ATOM 813 CA ARG A 57 13.781 22.331 -12.469 1.00 0.00 C ATOM 814 C ARG A 57 12.782 21.336 -11.886 1.00 0.00 C ATOM 815 O ARG A 57 12.878 20.955 -10.719 1.00 0.00 O ATOM 816 CB ARG A 57 14.906 21.581 -13.184 1.00 0.00 C ATOM 817 CG ARG A 57 15.896 22.494 -13.888 1.00 0.00 C ATOM 818 CD ARG A 57 15.201 23.393 -14.899 1.00 0.00 C ATOM 819 NE ARG A 57 16.033 23.641 -16.074 1.00 0.00 N ATOM 820 CZ ARG A 57 17.111 24.418 -16.060 1.00 0.00 C ATOM 821 NH1 ARG A 57 17.486 25.018 -14.939 1.00 0.00 N ATOM 822 NH2 ARG A 57 17.817 24.594 -17.169 1.00 0.00 N ATOM 0 H ARG A 57 14.802 22.689 -10.673 1.00 0.00 H new ATOM 0 HA ARG A 57 13.261 22.963 -13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.442 20.969 -12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.470 20.900 -13.915 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.416 23.106 -13.151 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.652 21.893 -14.393 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.263 22.932 -15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.949 24.342 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 57 15.772 23.194 -16.953 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.947 24.884 -14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.314 25.614 -14.932 1.00 0.00 H new ATOM 0 HH21 ARG A 57 17.533 24.133 -18.033 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.644 25.191 -17.158 1.00 0.00 H new ATOM 836 N PHE A 58 11.823 20.918 -12.706 1.00 0.00 N ATOM 837 CA PHE A 58 10.805 19.969 -12.272 1.00 0.00 C ATOM 838 C PHE A 58 10.673 18.820 -13.267 1.00 0.00 C ATOM 839 O PHE A 58 10.899 18.992 -14.465 1.00 0.00 O ATOM 840 CB PHE A 58 9.457 20.673 -12.107 1.00 0.00 C ATOM 841 CG PHE A 58 8.328 19.739 -11.777 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.340 19.006 -10.602 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.256 19.593 -12.643 1.00 0.00 C ATOM 844 CE1 PHE A 58 7.302 18.145 -10.295 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.216 18.734 -12.342 1.00 0.00 C ATOM 846 CZ PHE A 58 6.240 18.009 -11.167 1.00 0.00 C ATOM 0 H PHE A 58 11.730 21.222 -13.675 1.00 0.00 H new ATOM 0 HA PHE A 58 11.113 19.560 -11.310 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.541 21.421 -11.319 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.220 21.206 -13.028 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.169 19.108 -9.918 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.233 20.157 -13.564 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.322 17.580 -9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.386 18.630 -13.025 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.429 17.336 -10.930 1.00 0.00 H new ATOM 856 N LYS A 59 10.307 17.647 -12.762 1.00 0.00 N ATOM 857 CA LYS A 59 10.143 16.468 -13.604 1.00 0.00 C ATOM 858 C LYS A 59 8.856 15.727 -13.260 1.00 0.00 C ATOM 859 O LYS A 59 8.627 15.360 -12.107 1.00 0.00 O ATOM 860 CB LYS A 59 11.342 15.531 -13.443 1.00 0.00 C ATOM 861 CG LYS A 59 12.651 16.128 -13.930 1.00 0.00 C ATOM 862 CD LYS A 59 13.824 15.666 -13.081 1.00 0.00 C ATOM 863 CE LYS A 59 14.229 16.724 -12.066 1.00 0.00 C ATOM 864 NZ LYS A 59 13.296 16.764 -10.906 1.00 0.00 N ATOM 0 H LYS A 59 10.118 17.487 -11.772 1.00 0.00 H new ATOM 0 HA LYS A 59 10.084 16.799 -14.641 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.444 15.263 -12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.147 14.609 -13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.818 15.843 -14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.588 17.216 -13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.558 14.745 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.672 15.435 -13.725 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.240 16.520 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.251 17.701 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.800 17.678 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.602 15.994 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.834 16.648 -10.024 1.00 0.00 H new ATOM 978 N ALA A 68 0.176 22.484 -12.129 1.00 0.00 N ATOM 979 CA ALA A 68 0.382 23.870 -11.728 1.00 0.00 C ATOM 980 C ALA A 68 1.047 23.953 -10.359 1.00 0.00 C ATOM 981 O ALA A 68 1.914 24.796 -10.129 1.00 0.00 O ATOM 982 CB ALA A 68 -0.943 24.618 -11.720 1.00 0.00 C ATOM 0 HA ALA A 68 1.047 24.338 -12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.775 25.652 -11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.379 24.597 -12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.626 24.141 -11.017 1.00 0.00 H new ATOM 988 N SER A 69 0.636 23.072 -9.452 1.00 0.00 N ATOM 989 CA SER A 69 1.190 23.049 -8.103 1.00 0.00 C ATOM 990 C SER A 69 2.707 22.894 -8.141 1.00 0.00 C ATOM 991 O SER A 69 3.414 23.378 -7.257 1.00 0.00 O ATOM 992 CB SER A 69 0.570 21.908 -7.294 1.00 0.00 C ATOM 993 OG SER A 69 -0.725 22.255 -6.833 1.00 0.00 O ATOM 0 H SER A 69 -0.078 22.365 -9.627 1.00 0.00 H new ATOM 0 HA SER A 69 0.951 23.998 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.512 21.011 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.210 21.670 -6.445 1.00 0.00 H new ATOM 0 HG SER A 69 -1.101 21.509 -6.320 1.00 0.00 H new ATOM 999 N SER A 70 3.201 22.216 -9.172 1.00 0.00 N ATOM 1000 CA SER A 70 4.634 21.993 -9.325 1.00 0.00 C ATOM 1001 C SER A 70 5.296 23.179 -10.020 1.00 0.00 C ATOM 1002 O SER A 70 6.337 23.668 -9.579 1.00 0.00 O ATOM 1003 CB SER A 70 4.890 20.713 -10.122 1.00 0.00 C ATOM 1004 OG SER A 70 3.864 20.490 -11.074 1.00 0.00 O ATOM 0 H SER A 70 2.630 21.811 -9.914 1.00 0.00 H new ATOM 0 HA SER A 70 5.069 21.887 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.852 20.783 -10.630 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.950 19.863 -9.442 1.00 0.00 H new ATOM 0 HG SER A 70 4.196 19.898 -11.780 1.00 0.00 H new ATOM 1010 N SER A 71 4.686 23.636 -11.109 1.00 0.00 N ATOM 1011 CA SER A 71 5.218 24.762 -11.868 1.00 0.00 C ATOM 1012 C SER A 71 5.207 26.036 -11.029 1.00 0.00 C ATOM 1013 O SER A 71 5.958 26.976 -11.296 1.00 0.00 O ATOM 1014 CB SER A 71 4.404 24.972 -13.146 1.00 0.00 C ATOM 1015 OG SER A 71 3.420 25.976 -12.965 1.00 0.00 O ATOM 0 H SER A 71 3.823 23.244 -11.486 1.00 0.00 H new ATOM 0 HA SER A 71 6.250 24.533 -12.136 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.069 25.253 -13.962 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.925 24.036 -13.433 1.00 0.00 H new ATOM 0 HG SER A 71 2.915 26.092 -13.797 1.00 0.00 H new ATOM 1021 N LEU A 72 4.352 26.061 -10.013 1.00 0.00 N ATOM 1022 CA LEU A 72 4.242 27.219 -9.133 1.00 0.00 C ATOM 1023 C LEU A 72 5.340 27.205 -8.075 1.00 0.00 C ATOM 1024 O LEU A 72 6.029 28.203 -7.867 1.00 0.00 O ATOM 1025 CB LEU A 72 2.868 27.244 -8.460 1.00 0.00 C ATOM 1026 CG LEU A 72 2.729 28.174 -7.254 1.00 0.00 C ATOM 1027 CD1 LEU A 72 1.331 28.769 -7.198 1.00 0.00 C ATOM 1028 CD2 LEU A 72 3.045 27.428 -5.966 1.00 0.00 C ATOM 0 H LEU A 72 3.724 25.292 -9.778 1.00 0.00 H new ATOM 0 HA LEU A 72 4.359 28.118 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.126 27.533 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.622 26.231 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 72 3.445 28.989 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.250 29.428 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.141 29.339 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.597 27.967 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.941 28.105 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.354 26.593 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.067 27.050 -6.006 1.00 0.00 H new ATOM 1040 N VAL A 73 5.498 26.065 -7.409 1.00 0.00 N ATOM 1041 CA VAL A 73 6.514 25.920 -6.374 1.00 0.00 C ATOM 1042 C VAL A 73 7.915 26.089 -6.952 1.00 0.00 C ATOM 1043 O VAL A 73 8.843 26.496 -6.252 1.00 0.00 O ATOM 1044 CB VAL A 73 6.419 24.547 -5.682 1.00 0.00 C ATOM 1045 CG1 VAL A 73 5.125 24.437 -4.890 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.523 23.427 -6.706 1.00 0.00 C ATOM 0 H VAL A 73 4.935 25.229 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 73 6.330 26.703 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 73 7.252 24.451 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.075 23.461 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.096 25.218 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.275 24.553 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.454 22.464 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.711 23.517 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.479 23.496 -7.225 1.00 0.00 H new ATOM 1056 N THR A 74 8.062 25.773 -8.235 1.00 0.00 N ATOM 1057 CA THR A 74 9.350 25.889 -8.908 1.00 0.00 C ATOM 1058 C THR A 74 9.720 27.350 -9.139 1.00 0.00 C ATOM 1059 O THR A 74 10.819 27.782 -8.794 1.00 0.00 O ATOM 1060 CB THR A 74 9.345 25.152 -10.260 1.00 0.00 C ATOM 1061 OG1 THR A 74 8.050 25.243 -10.863 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.725 23.690 -10.081 1.00 0.00 C ATOM 0 H THR A 74 7.305 25.435 -8.829 1.00 0.00 H new ATOM 0 HA THR A 74 10.091 25.429 -8.255 1.00 0.00 H new ATOM 0 HB THR A 74 10.082 25.625 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.477 24.528 -10.517 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.715 23.190 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.724 23.624 -9.649 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.009 23.207 -9.416 1.00 0.00 H new ATOM 1070 N GLU A 75 8.795 28.105 -9.723 1.00 0.00 N ATOM 1071 CA GLU A 75 9.026 29.517 -10.000 1.00 0.00 C ATOM 1072 C GLU A 75 9.200 30.304 -8.704 1.00 0.00 C ATOM 1073 O GLU A 75 9.761 31.400 -8.701 1.00 0.00 O ATOM 1074 CB GLU A 75 7.864 30.098 -10.809 1.00 0.00 C ATOM 1075 CG GLU A 75 6.511 29.929 -10.140 1.00 0.00 C ATOM 1076 CD GLU A 75 5.388 30.585 -10.920 1.00 0.00 C ATOM 1077 OE1 GLU A 75 5.673 31.198 -11.970 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.223 30.484 -10.480 1.00 0.00 O ATOM 0 H GLU A 75 7.879 27.762 -10.013 1.00 0.00 H new ATOM 0 HA GLU A 75 9.943 29.601 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.046 31.159 -10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.838 29.618 -11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.297 28.866 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.550 30.356 -9.138 1.00 0.00 H new ATOM 1085 N TRP A 76 8.714 29.738 -7.605 1.00 0.00 N ATOM 1086 CA TRP A 76 8.815 30.386 -6.302 1.00 0.00 C ATOM 1087 C TRP A 76 10.206 30.198 -5.707 1.00 0.00 C ATOM 1088 O TRP A 76 10.817 31.149 -5.220 1.00 0.00 O ATOM 1089 CB TRP A 76 7.759 29.826 -5.348 1.00 0.00 C ATOM 1090 CG TRP A 76 6.660 30.798 -5.041 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.318 30.546 -5.041 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.811 32.179 -4.692 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.625 31.686 -4.712 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.518 32.701 -4.493 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.912 33.023 -4.526 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.299 34.030 -4.138 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.693 34.342 -4.174 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.395 34.834 -3.982 1.00 0.00 C ATOM 0 H TRP A 76 8.246 28.832 -7.590 1.00 0.00 H new ATOM 0 HA TRP A 76 8.641 31.453 -6.440 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.326 28.926 -5.784 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.242 29.529 -4.417 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.867 29.591 -5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.610 31.764 -4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.916 32.652 -4.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.300 34.412 -3.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.536 35.004 -4.045 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.257 35.869 -3.705 1.00 0.00 H new ATOM 1109 N VAL A 77 10.702 28.965 -5.750 1.00 0.00 N ATOM 1110 CA VAL A 77 12.022 28.654 -5.216 1.00 0.00 C ATOM 1111 C VAL A 77 13.121 29.299 -6.054 1.00 0.00 C ATOM 1112 O VAL A 77 14.191 29.631 -5.545 1.00 0.00 O ATOM 1113 CB VAL A 77 12.261 27.133 -5.160 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.320 26.481 -4.157 1.00 0.00 C ATOM 1115 CG2 VAL A 77 12.092 26.517 -6.540 1.00 0.00 C ATOM 0 H VAL A 77 10.209 28.166 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 77 12.056 29.058 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 77 13.285 26.955 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.503 25.407 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.494 26.903 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.287 26.666 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.264 25.442 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.080 26.703 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.810 26.963 -7.228 1.00 0.00 H new ATOM 1125 N LYS A 78 12.848 29.474 -7.342 1.00 0.00 N ATOM 1126 CA LYS A 78 13.811 30.081 -8.253 1.00 0.00 C ATOM 1127 C LYS A 78 14.220 31.468 -7.767 1.00 0.00 C ATOM 1128 O LYS A 78 13.505 32.447 -7.981 1.00 0.00 O ATOM 1129 CB LYS A 78 13.222 30.176 -9.662 1.00 0.00 C ATOM 1130 CG LYS A 78 13.798 29.158 -10.632 1.00 0.00 C ATOM 1131 CD LYS A 78 14.178 29.801 -11.955 1.00 0.00 C ATOM 1132 CE LYS A 78 12.998 29.843 -12.913 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.083 30.980 -12.616 1.00 0.00 N ATOM 0 H LYS A 78 11.967 29.204 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 78 14.698 29.448 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.142 30.041 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.397 31.178 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.676 28.689 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.068 28.367 -10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.540 30.814 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.997 29.244 -12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.364 29.929 -13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.445 28.906 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.390 31.078 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.585 30.800 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.635 31.858 -12.534 1.00 0.00 H new ATOM 1147 N GLY A 79 15.375 31.545 -7.113 1.00 0.00 N ATOM 1148 CA GLY A 79 15.859 32.817 -6.609 1.00 0.00 C ATOM 1149 C GLY A 79 15.539 33.018 -5.141 1.00 0.00 C ATOM 1150 O GLY A 79 15.573 34.141 -4.638 1.00 0.00 O ATOM 0 H GLY A 79 15.984 30.749 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.938 32.875 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.415 33.627 -7.189 1.00 0.00 H new ATOM 1154 N LYS A 80 15.226 31.927 -4.450 1.00 0.00 N ATOM 1155 CA LYS A 80 14.898 31.987 -3.031 1.00 0.00 C ATOM 1156 C LYS A 80 15.941 31.248 -2.200 1.00 0.00 C ATOM 1157 O LYS A 80 16.595 30.325 -2.685 1.00 0.00 O ATOM 1158 CB LYS A 80 13.512 31.386 -2.781 1.00 0.00 C ATOM 1159 CG LYS A 80 12.562 32.328 -2.061 1.00 0.00 C ATOM 1160 CD LYS A 80 11.954 33.342 -3.015 1.00 0.00 C ATOM 1161 CE LYS A 80 10.708 33.985 -2.425 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.631 35.438 -2.741 1.00 0.00 N ATOM 0 H LYS A 80 15.193 30.990 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 80 14.893 33.034 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.072 31.099 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.621 30.474 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.768 31.752 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.097 32.849 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.689 34.114 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.702 32.852 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.822 33.482 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.706 33.848 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.768 35.839 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.464 35.923 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.607 35.568 -3.773 1.00 0.00 H new ATOM 1176 N SER A 81 16.092 31.660 -0.945 1.00 0.00 N ATOM 1177 CA SER A 81 17.058 31.038 -0.047 1.00 0.00 C ATOM 1178 C SER A 81 16.540 29.697 0.464 1.00 0.00 C ATOM 1179 O SER A 81 15.434 29.275 0.125 1.00 0.00 O ATOM 1180 CB SER A 81 17.358 31.964 1.133 1.00 0.00 C ATOM 1181 OG SER A 81 18.443 31.474 1.903 1.00 0.00 O ATOM 0 H SER A 81 15.558 32.422 -0.527 1.00 0.00 H new ATOM 0 HA SER A 81 17.977 30.864 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.591 32.963 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.473 32.055 1.763 1.00 0.00 H new ATOM 0 HG SER A 81 18.616 32.084 2.650 1.00 0.00 H new ATOM 1187 N LEU A 82 17.348 29.031 1.281 1.00 0.00 N ATOM 1188 CA LEU A 82 16.973 27.736 1.840 1.00 0.00 C ATOM 1189 C LEU A 82 15.844 27.887 2.854 1.00 0.00 C ATOM 1190 O LEU A 82 14.876 27.126 2.839 1.00 0.00 O ATOM 1191 CB LEU A 82 18.183 27.075 2.502 1.00 0.00 C ATOM 1192 CG LEU A 82 19.484 27.098 1.699 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.678 26.859 2.610 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.443 26.061 0.587 1.00 0.00 C ATOM 0 H LEU A 82 18.267 29.366 1.571 1.00 0.00 H new ATOM 0 HA LEU A 82 16.622 27.104 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.361 27.566 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.931 26.037 2.718 1.00 0.00 H new ATOM 0 HG LEU A 82 19.591 28.083 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.595 26.879 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.718 27.639 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.578 25.887 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.377 26.092 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.312 25.069 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.611 26.278 -0.082 1.00 0.00 H new ATOM 1206 N ASP A 83 15.972 28.876 3.733 1.00 0.00 N ATOM 1207 CA ASP A 83 14.961 29.129 4.752 1.00 0.00 C ATOM 1208 C ASP A 83 13.660 29.613 4.119 1.00 0.00 C ATOM 1209 O ASP A 83 12.574 29.187 4.508 1.00 0.00 O ATOM 1210 CB ASP A 83 15.468 30.163 5.758 1.00 0.00 C ATOM 1211 CG ASP A 83 16.923 29.946 6.128 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.329 28.775 6.274 1.00 0.00 O ATOM 1213 OD2 ASP A 83 17.654 30.948 6.272 1.00 0.00 O ATOM 0 H ASP A 83 16.766 29.515 3.760 1.00 0.00 H new ATOM 0 HA ASP A 83 14.764 28.192 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.348 31.162 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.856 30.119 6.659 1.00 0.00 H new ATOM 1218 N GLU A 84 13.780 30.506 3.141 1.00 0.00 N ATOM 1219 CA GLU A 84 12.613 31.049 2.456 1.00 0.00 C ATOM 1220 C GLU A 84 11.748 29.929 1.885 1.00 0.00 C ATOM 1221 O GLU A 84 10.580 29.788 2.245 1.00 0.00 O ATOM 1222 CB GLU A 84 13.047 31.996 1.335 1.00 0.00 C ATOM 1223 CG GLU A 84 13.114 33.453 1.760 1.00 0.00 C ATOM 1224 CD GLU A 84 11.809 34.190 1.525 1.00 0.00 C ATOM 1225 OE1 GLU A 84 10.794 33.812 2.146 1.00 0.00 O ATOM 1226 OE2 GLU A 84 11.805 35.145 0.720 1.00 0.00 O ATOM 0 H GLU A 84 14.673 30.868 2.806 1.00 0.00 H new ATOM 0 HA GLU A 84 12.022 31.606 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.026 31.688 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.351 31.901 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.372 33.508 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.913 33.952 1.211 1.00 0.00 H new ATOM 1233 N ALA A 85 12.331 29.136 0.992 1.00 0.00 N ATOM 1234 CA ALA A 85 11.615 28.028 0.372 1.00 0.00 C ATOM 1235 C ALA A 85 11.064 27.073 1.424 1.00 0.00 C ATOM 1236 O ALA A 85 9.931 26.604 1.317 1.00 0.00 O ATOM 1237 CB ALA A 85 12.527 27.285 -0.593 1.00 0.00 C ATOM 0 H ALA A 85 13.297 29.240 0.682 1.00 0.00 H new ATOM 0 HA ALA A 85 10.772 28.438 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.980 26.460 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.868 27.968 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.388 26.894 -0.051 1.00 0.00 H new ATOM 1243 N GLN A 86 11.872 26.789 2.440 1.00 0.00 N ATOM 1244 CA GLN A 86 11.464 25.887 3.512 1.00 0.00 C ATOM 1245 C GLN A 86 10.389 26.529 4.383 1.00 0.00 C ATOM 1246 O GLN A 86 9.723 25.850 5.164 1.00 0.00 O ATOM 1247 CB GLN A 86 12.671 25.503 4.370 1.00 0.00 C ATOM 1248 CG GLN A 86 12.542 24.135 5.021 1.00 0.00 C ATOM 1249 CD GLN A 86 13.166 24.086 6.402 1.00 0.00 C ATOM 1250 OE1 GLN A 86 14.016 23.241 6.683 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.745 24.995 7.275 1.00 0.00 N ATOM 0 H GLN A 86 12.813 27.170 2.544 1.00 0.00 H new ATOM 0 HA GLN A 86 11.049 24.987 3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.567 25.518 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.808 26.255 5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.487 23.869 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.017 23.388 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.038 25.677 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.128 25.010 8.220 1.00 0.00 H new ATOM 1260 N ALA A 87 10.226 27.840 4.243 1.00 0.00 N ATOM 1261 CA ALA A 87 9.231 28.573 5.016 1.00 0.00 C ATOM 1262 C ALA A 87 7.857 28.492 4.359 1.00 0.00 C ATOM 1263 O ALA A 87 6.833 28.688 5.015 1.00 0.00 O ATOM 1264 CB ALA A 87 9.654 30.025 5.181 1.00 0.00 C ATOM 0 H ALA A 87 10.770 28.417 3.601 1.00 0.00 H new ATOM 0 HA ALA A 87 9.162 28.112 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.901 30.560 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.611 30.068 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.754 30.489 4.200 1.00 0.00 H new ATOM 1270 N ILE A 88 7.842 28.203 3.062 1.00 0.00 N ATOM 1271 CA ILE A 88 6.594 28.096 2.318 1.00 0.00 C ATOM 1272 C ILE A 88 5.613 27.163 3.020 1.00 0.00 C ATOM 1273 O ILE A 88 6.000 26.121 3.550 1.00 0.00 O ATOM 1274 CB ILE A 88 6.834 27.585 0.885 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.718 28.567 0.112 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.509 27.378 0.167 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.223 28.018 -1.204 1.00 0.00 C ATOM 0 H ILE A 88 8.681 28.039 2.505 1.00 0.00 H new ATOM 0 HA ILE A 88 6.169 29.098 2.271 1.00 0.00 H new ATOM 0 HB ILE A 88 7.349 26.626 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.154 29.480 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.571 28.842 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.696 27.017 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.912 26.645 0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.969 28.324 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.842 28.767 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.815 27.121 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.376 27.769 -1.843 1.00 0.00 H new ATOM 1289 N LYS A 89 4.340 27.543 3.020 1.00 0.00 N ATOM 1290 CA LYS A 89 3.301 26.740 3.654 1.00 0.00 C ATOM 1291 C LYS A 89 2.303 26.228 2.621 1.00 0.00 C ATOM 1292 O LYS A 89 1.882 26.966 1.732 1.00 0.00 O ATOM 1293 CB LYS A 89 2.572 27.562 4.720 1.00 0.00 C ATOM 1294 CG LYS A 89 3.336 27.677 6.027 1.00 0.00 C ATOM 1295 CD LYS A 89 3.967 29.050 6.186 1.00 0.00 C ATOM 1296 CE LYS A 89 2.934 30.096 6.575 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.363 29.837 7.926 1.00 0.00 N ATOM 0 H LYS A 89 4.003 28.403 2.588 1.00 0.00 H new ATOM 0 HA LYS A 89 3.778 25.882 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.384 28.562 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.601 27.108 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.661 27.487 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.112 26.913 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.747 29.007 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.447 29.341 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.394 31.084 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.132 30.106 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.939 30.711 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.633 29.099 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.118 29.519 8.567 1.00 0.00 H new ATOM 1311 N ASN A 90 1.928 24.959 2.746 1.00 0.00 N ATOM 1312 CA ASN A 90 0.978 24.348 1.823 1.00 0.00 C ATOM 1313 C ASN A 90 -0.247 25.238 1.636 1.00 0.00 C ATOM 1314 O ASN A 90 -0.778 25.360 0.531 1.00 0.00 O ATOM 1315 CB ASN A 90 0.549 22.972 2.336 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.375 23.064 3.535 1.00 0.00 C ATOM 1317 OD1 ASN A 90 0.078 23.176 4.675 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.678 23.018 3.283 1.00 0.00 N ATOM 0 H ASN A 90 2.267 24.334 3.477 1.00 0.00 H new ATOM 0 HA ASN A 90 1.471 24.231 0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.047 22.429 1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.434 22.396 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.348 23.076 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.009 22.925 2.323 1.00 0.00 H new ATOM 1325 N THR A 91 -0.693 25.860 2.723 1.00 0.00 N ATOM 1326 CA THR A 91 -1.855 26.738 2.680 1.00 0.00 C ATOM 1327 C THR A 91 -1.742 27.744 1.540 1.00 0.00 C ATOM 1328 O THR A 91 -2.740 28.104 0.916 1.00 0.00 O ATOM 1329 CB THR A 91 -2.033 27.500 4.007 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.194 28.336 3.939 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.808 28.348 4.312 1.00 0.00 C ATOM 0 H THR A 91 -0.266 25.771 3.645 1.00 0.00 H new ATOM 0 HA THR A 91 -2.725 26.103 2.515 1.00 0.00 H new ATOM 0 HB THR A 91 -2.158 26.770 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.302 28.816 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.957 28.877 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.069 27.705 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.657 29.071 3.510 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.520 28.194 1.274 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.277 29.158 0.207 1.00 0.00 C ATOM 1341 C ASP A 92 -0.419 28.500 -1.162 1.00 0.00 C ATOM 1342 O ASP A 92 -0.962 29.095 -2.094 1.00 0.00 O ATOM 1343 CB ASP A 92 1.118 29.768 0.351 1.00 0.00 C ATOM 1344 CG ASP A 92 1.166 30.861 1.400 1.00 0.00 C ATOM 1345 OD1 ASP A 92 1.376 30.536 2.587 1.00 0.00 O ATOM 1346 OD2 ASP A 92 0.993 32.043 1.034 1.00 0.00 O ATOM 0 H ASP A 92 0.317 27.907 1.782 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.022 29.950 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.829 28.984 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.434 30.176 -0.609 1.00 0.00 H new ATOM 1351 N ILE A 93 0.073 27.271 -1.277 1.00 0.00 N ATOM 1352 CA ILE A 93 0.001 26.534 -2.532 1.00 0.00 C ATOM 1353 C ILE A 93 -1.415 26.033 -2.794 1.00 0.00 C ATOM 1354 O ILE A 93 -1.802 25.807 -3.940 1.00 0.00 O ATOM 1355 CB ILE A 93 0.967 25.335 -2.537 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.414 25.817 -2.414 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.783 24.512 -3.803 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.854 26.050 -0.986 1.00 0.00 C ATOM 0 H ILE A 93 0.526 26.765 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 93 0.291 27.227 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 93 0.741 24.702 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.074 25.081 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.529 26.743 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.473 23.668 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.241 24.143 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.986 25.135 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.890 26.390 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.218 26.808 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.772 25.120 -0.424 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.185 25.864 -1.724 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.560 25.393 -1.839 1.00 0.00 C ATOM 1372 C ALA A 94 -4.473 26.491 -2.373 1.00 0.00 C ATOM 1373 O ALA A 94 -5.274 26.259 -3.278 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.062 24.897 -0.491 1.00 0.00 C ATOM 0 H ALA A 94 -1.880 26.046 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.577 24.565 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.090 24.548 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.432 24.076 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.024 25.711 0.233 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.347 27.688 -1.807 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.163 28.821 -2.227 1.00 0.00 C ATOM 1382 C GLU A 95 -4.617 29.438 -3.512 1.00 0.00 C ATOM 1383 O GLU A 95 -5.339 30.116 -4.242 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.215 29.878 -1.123 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.778 29.360 0.190 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.294 29.373 0.219 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.885 30.432 -0.076 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.890 28.322 0.537 1.00 0.00 O ATOM 0 H GLU A 95 -3.688 27.897 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.172 28.457 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.209 30.261 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.822 30.717 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.424 28.343 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.397 29.969 1.010 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.337 29.197 -3.780 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.695 29.730 -4.975 1.00 0.00 C ATOM 1397 C GLU A 96 -3.393 29.232 -6.237 1.00 0.00 C ATOM 1398 O GLU A 96 -3.694 30.010 -7.143 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.217 29.334 -5.006 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.276 30.461 -4.614 1.00 0.00 C ATOM 1401 CD GLU A 96 -0.209 31.556 -5.660 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.878 31.419 -6.705 1.00 0.00 O ATOM 1403 OE2 GLU A 96 0.512 32.550 -5.434 1.00 0.00 O ATOM 0 H GLU A 96 -2.725 28.637 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.772 30.817 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.061 28.491 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.962 28.992 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.603 30.889 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.723 30.056 -4.453 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.648 27.929 -6.289 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.310 27.324 -7.440 1.00 0.00 C ATOM 1412 C LEU A 97 -5.700 26.819 -7.065 1.00 0.00 C ATOM 1413 O LEU A 97 -6.431 26.302 -7.908 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.468 26.173 -7.991 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.069 26.541 -8.486 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.137 25.344 -8.391 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -2.129 27.061 -9.915 1.00 0.00 C ATOM 0 H LEU A 97 -3.406 27.271 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.417 28.088 -8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.369 25.417 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.013 25.712 -8.815 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.675 27.333 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.146 25.625 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.070 25.017 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.526 24.531 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.124 27.318 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.543 26.291 -10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.762 27.947 -9.953 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.058 26.975 -5.794 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.360 26.536 -5.308 1.00 0.00 C ATOM 1431 C GLU A 98 -7.618 25.079 -5.683 1.00 0.00 C ATOM 1432 O GLU A 98 -8.490 24.781 -6.500 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.468 27.424 -5.878 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.587 28.770 -5.184 1.00 0.00 C ATOM 1435 CD GLU A 98 -10.028 29.192 -4.972 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.726 29.446 -5.975 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.457 29.267 -3.801 1.00 0.00 O ATOM 0 H GLU A 98 -5.464 27.402 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.360 26.619 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.281 27.587 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.420 26.899 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.080 28.723 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.074 29.527 -5.777 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.853 24.176 -5.081 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.996 22.749 -5.351 1.00 0.00 C ATOM 1446 C LEU A 99 -8.378 22.253 -4.936 1.00 0.00 C ATOM 1447 O LEU A 99 -8.984 22.750 -3.987 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.915 21.959 -4.612 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.574 21.820 -5.333 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -4.700 20.874 -6.517 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.069 23.182 -5.787 1.00 0.00 C ATOM 0 H LEU A 99 -6.127 24.406 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.881 22.594 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.739 22.437 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.300 20.960 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.850 21.400 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.736 20.788 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.016 19.892 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.439 21.264 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.114 23.064 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.792 23.630 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.939 23.829 -4.920 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.888 21.247 -5.663 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.203 20.660 -5.387 1.00 0.00 C ATOM 1465 C PRO A 100 -10.220 19.861 -4.089 1.00 0.00 C ATOM 1466 O PRO A 100 -9.189 19.392 -3.607 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.437 19.737 -6.586 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.071 19.394 -7.073 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.221 20.606 -6.808 1.00 0.00 C ATOM 0 HA PRO A 100 -10.972 21.422 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.990 18.843 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.020 20.235 -7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.679 18.521 -6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.085 19.152 -8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.193 20.332 -6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.184 21.268 -7.673 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.418 19.700 -3.508 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.598 18.957 -2.257 1.00 0.00 C ATOM 1479 C PRO A 101 -11.375 17.459 -2.436 1.00 0.00 C ATOM 1480 O PRO A 101 -11.289 16.713 -1.461 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.056 19.240 -1.883 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.725 19.549 -3.177 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.689 20.232 -4.027 1.00 0.00 C ATOM 0 HA PRO A 101 -10.881 19.262 -1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.514 18.379 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.131 20.077 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.085 18.639 -3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.591 20.193 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.820 20.000 -5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.740 21.316 -3.930 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.283 17.025 -3.689 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.068 15.615 -3.996 1.00 0.00 C ATOM 1493 C VAL A 102 -9.806 15.092 -3.318 1.00 0.00 C ATOM 1494 O VAL A 102 -9.778 13.968 -2.817 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.957 15.382 -5.514 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.291 15.650 -6.195 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -9.861 16.255 -6.108 1.00 0.00 C ATOM 0 H VAL A 102 -11.354 17.629 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.933 15.072 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.692 14.339 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.193 15.480 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.048 14.979 -5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.589 16.683 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.796 16.078 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.094 17.304 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.907 16.009 -5.641 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.763 15.914 -3.307 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.497 15.536 -2.689 1.00 0.00 C ATOM 1509 C LYS A 103 -6.670 16.771 -2.345 1.00 0.00 C ATOM 1510 O LYS A 103 -5.630 17.022 -2.956 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.703 14.621 -3.624 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.603 13.843 -2.924 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.139 12.574 -2.283 1.00 0.00 C ATOM 1514 CE LYS A 103 -5.904 11.360 -3.168 1.00 0.00 C ATOM 1515 NZ LYS A 103 -7.142 10.949 -3.887 1.00 0.00 N ATOM 0 H LYS A 103 -8.769 16.847 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.717 14.999 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.388 13.918 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.262 15.222 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.823 13.588 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.141 14.470 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.656 12.421 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.206 12.685 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.121 11.585 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.546 10.530 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.940 10.118 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.882 10.710 -3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.470 11.731 -4.488 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.137 17.535 -1.364 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.438 18.741 -0.938 1.00 0.00 C ATOM 1531 C ILE A 104 -4.969 18.452 -0.648 1.00 0.00 C ATOM 1532 O ILE A 104 -4.119 19.337 -0.748 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.086 19.354 0.318 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.540 19.738 0.032 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.295 20.567 0.784 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.683 20.838 -0.996 1.00 0.00 C ATOM 0 H ILE A 104 -7.996 17.341 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.511 19.454 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.075 18.610 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.079 18.856 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -9.013 20.056 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.765 20.989 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.275 20.267 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.277 21.316 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.740 21.058 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.173 21.734 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.240 20.515 -1.938 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.676 17.206 -0.289 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.309 16.798 0.013 1.00 0.00 C ATOM 1550 C HIS A 105 -2.378 17.110 -1.154 1.00 0.00 C ATOM 1551 O HIS A 105 -1.165 17.234 -0.978 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.259 15.305 0.336 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.755 15.006 1.714 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -3.331 15.524 2.855 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.724 14.235 2.132 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -2.675 15.086 3.915 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -1.695 14.302 3.503 1.00 0.00 N ATOM 0 H HIS A 105 -5.367 16.461 -0.200 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.972 17.361 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.258 14.884 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.620 14.806 -0.392 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.050 13.672 1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.901 15.328 4.943 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -1.025 13.824 4.106 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.953 17.235 -2.345 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.174 17.531 -3.543 1.00 0.00 C ATOM 1567 C CYS A 106 -1.420 18.848 -3.389 1.00 0.00 C ATOM 1568 O CYS A 106 -0.448 19.104 -4.099 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.088 17.592 -4.768 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.259 16.018 -5.640 1.00 0.00 S ATOM 0 H CYS A 106 -3.955 17.136 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.447 16.731 -3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.076 17.931 -4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.700 18.339 -5.461 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.052 16.170 -6.659 1.00 0.00 H new ATOM 1576 N SER A 107 -1.876 19.680 -2.459 1.00 0.00 N ATOM 1577 CA SER A 107 -1.248 20.973 -2.216 1.00 0.00 C ATOM 1578 C SER A 107 -0.135 20.851 -1.179 1.00 0.00 C ATOM 1579 O SER A 107 0.862 21.570 -1.236 1.00 0.00 O ATOM 1580 CB SER A 107 -2.290 21.990 -1.744 1.00 0.00 C ATOM 1581 OG SER A 107 -3.601 21.569 -2.080 1.00 0.00 O ATOM 0 H SER A 107 -2.678 19.482 -1.861 1.00 0.00 H new ATOM 0 HA SER A 107 -0.812 21.318 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.212 22.121 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.088 22.960 -2.198 1.00 0.00 H new ATOM 0 HG SER A 107 -3.952 20.994 -1.369 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.315 19.934 -0.234 1.00 0.00 N ATOM 1588 CA ILE A 108 0.673 19.716 0.815 1.00 0.00 C ATOM 1589 C ILE A 108 1.913 19.019 0.266 1.00 0.00 C ATOM 1590 O ILE A 108 3.017 19.190 0.785 1.00 0.00 O ATOM 1591 CB ILE A 108 0.094 18.876 1.969 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.938 19.689 2.753 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.209 18.397 2.887 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.356 19.502 2.261 1.00 0.00 C ATOM 0 H ILE A 108 -1.135 19.331 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 108 0.950 20.699 1.196 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.404 18.002 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.887 19.408 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.678 20.746 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.784 17.805 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.910 17.785 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.733 19.258 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.033 20.108 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.423 19.811 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.636 18.452 2.347 1.00 0.00 H new ATOM 1606 N LEU A 109 1.724 18.233 -0.789 1.00 0.00 N ATOM 1607 CA LEU A 109 2.828 17.510 -1.411 1.00 0.00 C ATOM 1608 C LEU A 109 3.712 18.455 -2.218 1.00 0.00 C ATOM 1609 O LEU A 109 4.892 18.181 -2.438 1.00 0.00 O ATOM 1610 CB LEU A 109 2.290 16.400 -2.316 1.00 0.00 C ATOM 1611 CG LEU A 109 1.778 15.145 -1.607 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.421 14.736 -2.159 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.779 14.007 -1.749 1.00 0.00 C ATOM 0 H LEU A 109 0.817 18.080 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 109 3.431 17.066 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.478 16.810 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.081 16.106 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 109 1.663 15.371 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.073 13.841 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.293 15.545 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.510 14.528 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.399 13.122 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.926 13.782 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.730 14.301 -1.305 1.00 0.00 H new ATOM 1625 N ALA A 110 3.135 19.570 -2.653 1.00 0.00 N ATOM 1626 CA ALA A 110 3.871 20.558 -3.431 1.00 0.00 C ATOM 1627 C ALA A 110 4.926 21.254 -2.578 1.00 0.00 C ATOM 1628 O ALA A 110 6.037 21.515 -3.038 1.00 0.00 O ATOM 1629 CB ALA A 110 2.915 21.580 -4.029 1.00 0.00 C ATOM 0 H ALA A 110 2.159 19.812 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 110 4.382 20.038 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.479 22.311 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.202 21.074 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.377 22.088 -3.228 1.00 0.00 H new ATOM 1635 N GLU A 111 4.569 21.553 -1.332 1.00 0.00 N ATOM 1636 CA GLU A 111 5.486 22.221 -0.416 1.00 0.00 C ATOM 1637 C GLU A 111 6.395 21.210 0.277 1.00 0.00 C ATOM 1638 O GLU A 111 7.476 21.556 0.755 1.00 0.00 O ATOM 1639 CB GLU A 111 4.705 23.021 0.629 1.00 0.00 C ATOM 1640 CG GLU A 111 3.803 22.164 1.502 1.00 0.00 C ATOM 1641 CD GLU A 111 3.892 22.532 2.970 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.299 23.674 3.272 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.554 21.679 3.818 1.00 0.00 O ATOM 0 H GLU A 111 3.653 21.343 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 111 6.106 22.903 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.409 23.557 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.099 23.771 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.771 22.270 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.072 21.115 1.377 1.00 0.00 H new ATOM 1650 N ASP A 112 5.949 19.960 0.328 1.00 0.00 N ATOM 1651 CA ASP A 112 6.722 18.898 0.961 1.00 0.00 C ATOM 1652 C ASP A 112 7.855 18.433 0.052 1.00 0.00 C ATOM 1653 O ASP A 112 8.881 17.944 0.522 1.00 0.00 O ATOM 1654 CB ASP A 112 5.814 17.717 1.310 1.00 0.00 C ATOM 1655 CG ASP A 112 4.940 17.995 2.517 1.00 0.00 C ATOM 1656 OD1 ASP A 112 4.851 19.172 2.927 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.343 17.037 3.051 1.00 0.00 O ATOM 0 H ASP A 112 5.056 19.657 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 112 7.157 19.296 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.182 17.483 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.427 16.836 1.504 1.00 0.00 H new ATOM 1662 N ALA A 113 7.660 18.589 -1.254 1.00 0.00 N ATOM 1663 CA ALA A 113 8.666 18.187 -2.229 1.00 0.00 C ATOM 1664 C ALA A 113 9.817 19.186 -2.276 1.00 0.00 C ATOM 1665 O ALA A 113 10.986 18.801 -2.247 1.00 0.00 O ATOM 1666 CB ALA A 113 8.036 18.040 -3.607 1.00 0.00 C ATOM 0 H ALA A 113 6.815 18.991 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 113 9.070 17.223 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.799 17.739 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.253 17.282 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.604 18.993 -3.913 1.00 0.00 H new ATOM 1672 N ILE A 114 9.478 20.469 -2.348 1.00 0.00 N ATOM 1673 CA ILE A 114 10.483 21.522 -2.398 1.00 0.00 C ATOM 1674 C ILE A 114 11.402 21.463 -1.183 1.00 0.00 C ATOM 1675 O ILE A 114 12.607 21.694 -1.289 1.00 0.00 O ATOM 1676 CB ILE A 114 9.834 22.917 -2.470 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.882 23.121 -1.289 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.097 23.091 -3.789 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.149 24.444 -1.327 1.00 0.00 C ATOM 0 H ILE A 114 8.515 20.804 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 114 11.069 21.356 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 114 10.619 23.671 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.153 22.311 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.449 23.055 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.644 24.082 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.800 22.983 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.319 22.333 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.492 24.521 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.871 25.261 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.555 24.505 -2.239 1.00 0.00 H new ATOM 1691 N LYS A 115 10.826 21.150 -0.027 1.00 0.00 N ATOM 1692 CA LYS A 115 11.593 21.056 1.209 1.00 0.00 C ATOM 1693 C LYS A 115 12.524 19.848 1.183 1.00 0.00 C ATOM 1694 O LYS A 115 13.668 19.925 1.629 1.00 0.00 O ATOM 1695 CB LYS A 115 10.651 20.961 2.412 1.00 0.00 C ATOM 1696 CG LYS A 115 10.682 22.187 3.308 1.00 0.00 C ATOM 1697 CD LYS A 115 9.293 22.547 3.809 1.00 0.00 C ATOM 1698 CE LYS A 115 8.671 23.658 2.976 1.00 0.00 C ATOM 1699 NZ LYS A 115 7.183 23.623 3.029 1.00 0.00 N ATOM 0 H LYS A 115 9.830 20.957 0.079 1.00 0.00 H new ATOM 0 HA LYS A 115 12.199 21.957 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.633 20.809 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.916 20.084 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.339 22.001 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.101 23.030 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.653 21.665 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.351 22.861 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.025 24.624 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.000 23.564 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.806 24.569 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.827 22.943 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.876 23.332 3.979 1.00 0.00 H new ATOM 1713 N ALA A 116 12.026 18.735 0.655 1.00 0.00 N ATOM 1714 CA ALA A 116 12.814 17.512 0.567 1.00 0.00 C ATOM 1715 C ALA A 116 14.129 17.758 -0.166 1.00 0.00 C ATOM 1716 O ALA A 116 15.112 17.051 0.050 1.00 0.00 O ATOM 1717 CB ALA A 116 12.017 16.419 -0.128 1.00 0.00 C ATOM 0 H ALA A 116 11.080 18.655 0.282 1.00 0.00 H new ATOM 0 HA ALA A 116 13.048 17.187 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.618 15.512 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.108 16.216 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.753 16.745 -1.134 1.00 0.00 H new ATOM 1723 N ALA A 117 14.138 18.765 -1.033 1.00 0.00 N ATOM 1724 CA ALA A 117 15.332 19.105 -1.796 1.00 0.00 C ATOM 1725 C ALA A 117 16.307 19.922 -0.956 1.00 0.00 C ATOM 1726 O ALA A 117 17.522 19.741 -1.046 1.00 0.00 O ATOM 1727 CB ALA A 117 14.953 19.866 -3.058 1.00 0.00 C ATOM 0 H ALA A 117 13.332 19.360 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 117 15.828 18.177 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.855 20.114 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.301 19.247 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.431 20.784 -2.787 1.00 0.00 H new ATOM 1733 N ILE A 118 15.768 20.821 -0.139 1.00 0.00 N ATOM 1734 CA ILE A 118 16.591 21.665 0.718 1.00 0.00 C ATOM 1735 C ILE A 118 17.374 20.829 1.725 1.00 0.00 C ATOM 1736 O ILE A 118 18.504 21.163 2.079 1.00 0.00 O ATOM 1737 CB ILE A 118 15.738 22.697 1.478 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.972 23.582 0.493 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.617 23.544 2.387 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.074 24.598 1.165 1.00 0.00 C ATOM 0 H ILE A 118 14.765 20.983 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 118 17.288 22.191 0.066 1.00 0.00 H new ATOM 0 HB ILE A 118 15.015 22.165 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.686 24.105 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.368 22.949 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.000 24.269 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.122 22.901 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.360 24.070 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.563 25.190 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.337 24.082 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.675 25.255 1.794 1.00 0.00 H new ATOM 1752 N ALA A 119 16.765 19.739 2.181 1.00 0.00 N ATOM 1753 CA ALA A 119 17.406 18.852 3.144 1.00 0.00 C ATOM 1754 C ALA A 119 18.476 17.996 2.474 1.00 0.00 C ATOM 1755 O ALA A 119 19.375 17.478 3.137 1.00 0.00 O ATOM 1756 CB ALA A 119 16.369 17.970 3.821 1.00 0.00 C ATOM 0 H ALA A 119 15.829 19.449 1.899 1.00 0.00 H new ATOM 0 HA ALA A 119 17.892 19.468 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.862 17.313 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.644 18.595 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.857 17.369 3.070 1.00 0.00 H new ATOM 1762 N ASP A 120 18.372 17.850 1.158 1.00 0.00 N ATOM 1763 CA ASP A 120 19.331 17.056 0.399 1.00 0.00 C ATOM 1764 C ASP A 120 20.613 17.845 0.149 1.00 0.00 C ATOM 1765 O ASP A 120 21.698 17.272 0.055 1.00 0.00 O ATOM 1766 CB ASP A 120 18.721 16.617 -0.933 1.00 0.00 C ATOM 1767 CG ASP A 120 18.999 15.159 -1.244 1.00 0.00 C ATOM 1768 OD1 ASP A 120 20.188 14.780 -1.298 1.00 0.00 O ATOM 1769 OD2 ASP A 120 18.028 14.397 -1.433 1.00 0.00 O ATOM 0 H ASP A 120 17.633 18.271 0.595 1.00 0.00 H new ATOM 0 HA ASP A 120 19.578 16.172 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.644 16.781 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.120 17.239 -1.734 1.00 0.00 H new ATOM 1774 N TYR A 121 20.479 19.163 0.041 1.00 0.00 N ATOM 1775 CA TYR A 121 21.625 20.030 -0.201 1.00 0.00 C ATOM 1776 C TYR A 121 22.547 20.067 1.014 1.00 0.00 C ATOM 1777 O TYR A 121 23.752 19.840 0.901 1.00 0.00 O ATOM 1778 CB TYR A 121 21.157 21.446 -0.543 1.00 0.00 C ATOM 1779 CG TYR A 121 22.277 22.460 -0.585 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.459 22.192 -1.264 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.154 23.687 0.057 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.485 23.116 -1.305 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.175 24.617 0.021 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.338 24.327 -0.661 1.00 0.00 C ATOM 1785 OH TYR A 121 25.358 25.250 -0.698 1.00 0.00 O ATOM 0 H TYR A 121 19.588 19.653 0.117 1.00 0.00 H new ATOM 0 HA TYR A 121 22.183 19.625 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.656 21.430 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.418 21.763 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.578 21.245 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.245 23.917 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.397 22.892 -1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.063 25.566 0.524 1.00 0.00 H new ATOM 0 HH TYR A 121 25.178 25.908 -1.402 1.00 0.00 H new ATOM 1795 N LYS A 122 21.972 20.354 2.176 1.00 0.00 N ATOM 1796 CA LYS A 122 22.739 20.419 3.415 1.00 0.00 C ATOM 1797 C LYS A 122 23.465 19.103 3.675 1.00 0.00 C ATOM 1798 O LYS A 122 24.498 19.075 4.344 1.00 0.00 O ATOM 1799 CB LYS A 122 21.818 20.748 4.592 1.00 0.00 C ATOM 1800 CG LYS A 122 20.891 21.922 4.331 1.00 0.00 C ATOM 1801 CD LYS A 122 20.560 22.667 5.613 1.00 0.00 C ATOM 1802 CE LYS A 122 19.229 22.213 6.193 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.391 21.605 7.542 1.00 0.00 N ATOM 0 H LYS A 122 20.976 20.546 2.286 1.00 0.00 H new ATOM 0 HA LYS A 122 23.483 21.209 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.219 19.869 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.427 20.965 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.359 22.606 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.971 21.564 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.351 22.504 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.525 23.738 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.551 23.064 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.768 21.489 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.462 21.309 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.017 20.777 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 19.807 22.304 8.190 1.00 0.00 H new ATOM 1817 N SER A 123 22.919 18.015 3.141 1.00 0.00 N ATOM 1818 CA SER A 123 23.513 16.696 3.318 1.00 0.00 C ATOM 1819 C SER A 123 24.657 16.479 2.332 1.00 0.00 C ATOM 1820 O SER A 123 25.525 15.632 2.545 1.00 0.00 O ATOM 1821 CB SER A 123 22.454 15.607 3.136 1.00 0.00 C ATOM 1822 OG SER A 123 22.159 14.971 4.367 1.00 0.00 O ATOM 0 H SER A 123 22.066 18.022 2.582 1.00 0.00 H new ATOM 0 HA SER A 123 23.913 16.638 4.330 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.545 16.045 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.808 14.868 2.417 1.00 0.00 H new ATOM 0 HG SER A 123 21.478 14.281 4.224 1.00 0.00 H new ATOM 1828 N LYS A 124 24.651 17.250 1.250 1.00 0.00 N ATOM 1829 CA LYS A 124 25.687 17.146 0.229 1.00 0.00 C ATOM 1830 C LYS A 124 26.942 17.905 0.648 1.00 0.00 C ATOM 1831 O LYS A 124 28.042 17.611 0.180 1.00 0.00 O ATOM 1832 CB LYS A 124 25.173 17.688 -1.106 1.00 0.00 C ATOM 1833 CG LYS A 124 25.277 16.691 -2.247 1.00 0.00 C ATOM 1834 CD LYS A 124 24.068 15.771 -2.296 1.00 0.00 C ATOM 1835 CE LYS A 124 24.375 14.486 -3.049 1.00 0.00 C ATOM 1836 NZ LYS A 124 24.642 14.739 -4.492 1.00 0.00 N ATOM 0 H LYS A 124 23.939 17.955 1.057 1.00 0.00 H new ATOM 0 HA LYS A 124 25.942 16.093 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.131 17.988 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 124 25.736 18.585 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.366 17.226 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 124 26.183 16.097 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.750 15.532 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.237 16.286 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 124 25.241 14.000 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.536 13.798 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 24.830 13.837 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 23.813 15.196 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.469 15.362 -4.588 1.00 0.00 H new ATOM 1850 N ARG A 125 26.770 18.881 1.534 1.00 0.00 N ATOM 1851 CA ARG A 125 27.890 19.681 2.016 1.00 0.00 C ATOM 1852 C ARG A 125 28.165 19.398 3.490 1.00 0.00 C ATOM 1853 O ARG A 125 29.197 19.800 4.026 1.00 0.00 O ATOM 1854 CB ARG A 125 27.602 21.170 1.817 1.00 0.00 C ATOM 1855 CG ARG A 125 26.564 21.725 2.779 1.00 0.00 C ATOM 1856 CD ARG A 125 27.208 22.576 3.862 1.00 0.00 C ATOM 1857 NE ARG A 125 26.214 23.185 4.742 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.524 23.954 5.779 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.794 24.209 6.065 1.00 0.00 N ATOM 1860 NH2 ARG A 125 25.563 24.472 6.534 1.00 0.00 N ATOM 0 H ARG A 125 25.866 19.137 1.932 1.00 0.00 H new ATOM 0 HA ARG A 125 28.774 19.408 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.530 21.730 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.260 21.332 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.838 22.323 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.016 20.903 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.886 21.960 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.810 23.358 3.399 1.00 0.00 H new ATOM 0 HE ARG A 125 25.228 23.010 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 125 28.536 23.814 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 125 28.028 24.800 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.585 24.279 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.803 25.063 7.330 1.00 0.00 H new