USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 86 THR OG1 : rot 180:sc= -1.75 USER MOD Set 1.2: A 89 GLN : amide:sc= -1.62 K(o=-3.4,f=-2.3!) USER MOD Set 2.1: A 62 SER OG : rot 129:sc= 1.08 USER MOD Set 2.2: A 69 THR OG1 : rot 166:sc= 0.677 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 88:sc= 0.163 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 171:sc= 0.0696 USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -0.0221 (180deg=-0.242) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.661 K(o=-0.66,f=-8.3!) USER MOD Single : A 52 SER OG : rot 160:sc= -0.0762 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0377 K(o=-0.038,f=-1.6!) USER MOD Single : A 56 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc=-0.00719 (180deg=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc=-3.55e-05 USER MOD Single : A 68 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.52) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= -0.0138 (180deg=-0.0547) USER MOD Single : A 84 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.5!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 5.632 -5.647 -10.282 1.00 0.00 N ATOM 381 CA LYS A 31 6.668 -4.884 -9.521 1.00 0.00 C ATOM 382 C LYS A 31 6.290 -3.405 -9.560 1.00 0.00 C ATOM 383 O LYS A 31 7.111 -2.537 -9.783 1.00 0.00 O ATOM 384 CB LYS A 31 7.981 -5.133 -10.265 1.00 0.00 C ATOM 385 CG LYS A 31 8.613 -6.440 -9.772 1.00 0.00 C ATOM 386 CD LYS A 31 10.043 -6.171 -9.293 1.00 0.00 C ATOM 387 CE LYS A 31 10.008 -5.582 -7.881 1.00 0.00 C ATOM 388 NZ LYS A 31 10.273 -6.736 -6.978 1.00 0.00 N ATOM 0 HA LYS A 31 6.752 -5.186 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.798 -5.188 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.667 -4.302 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.019 -6.859 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.620 -7.178 -10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.619 -7.096 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.542 -5.481 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.761 -4.804 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.041 -5.126 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.265 -6.412 -5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.536 -7.458 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.203 -7.145 -7.201 1.00 0.00 H new ATOM 402 N ILE A 32 5.024 -3.133 -9.391 1.00 0.00 N ATOM 403 CA ILE A 32 4.533 -1.732 -9.465 1.00 0.00 C ATOM 404 C ILE A 32 5.238 -0.844 -8.429 1.00 0.00 C ATOM 405 O ILE A 32 5.421 -1.225 -7.290 1.00 0.00 O ATOM 406 CB ILE A 32 3.032 -1.831 -9.163 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.315 -2.473 -10.357 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.453 -0.434 -8.920 1.00 0.00 C ATOM 409 CD1 ILE A 32 1.752 -3.834 -9.947 1.00 0.00 C ATOM 0 H ILE A 32 4.304 -3.831 -9.203 1.00 0.00 H new ATOM 0 HA ILE A 32 4.732 -1.280 -10.436 1.00 0.00 H new ATOM 0 HB ILE A 32 2.887 -2.440 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.510 -1.824 -10.702 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.008 -2.591 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.387 -0.514 -8.706 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.959 0.027 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.600 0.180 -9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.243 -4.288 -10.797 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.566 -4.482 -9.623 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.045 -3.703 -9.128 1.00 0.00 H new ATOM 421 N ILE A 33 5.620 0.346 -8.821 1.00 0.00 N ATOM 422 CA ILE A 33 6.298 1.272 -7.863 1.00 0.00 C ATOM 423 C ILE A 33 5.340 2.409 -7.483 1.00 0.00 C ATOM 424 O ILE A 33 4.381 2.678 -8.181 1.00 0.00 O ATOM 425 CB ILE A 33 7.525 1.819 -8.606 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.075 2.780 -9.716 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.314 0.655 -9.215 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.269 3.157 -10.595 1.00 0.00 C ATOM 0 H ILE A 33 5.492 0.716 -9.763 1.00 0.00 H new ATOM 0 HA ILE A 33 6.591 0.770 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 33 8.161 2.359 -7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.300 2.311 -10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.638 3.677 -9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.185 1.043 -9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.640 -0.018 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.679 0.111 -9.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.942 3.839 -11.380 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.030 3.644 -9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.687 2.257 -11.047 1.00 0.00 H new ATOM 440 N LYS A 34 5.590 3.072 -6.388 1.00 0.00 N ATOM 441 CA LYS A 34 4.690 4.187 -5.973 1.00 0.00 C ATOM 442 C LYS A 34 5.240 5.526 -6.475 1.00 0.00 C ATOM 443 O LYS A 34 6.412 5.813 -6.342 1.00 0.00 O ATOM 444 CB LYS A 34 4.688 4.147 -4.444 1.00 0.00 C ATOM 445 CG LYS A 34 3.692 3.089 -3.963 1.00 0.00 C ATOM 446 CD LYS A 34 3.030 3.561 -2.667 1.00 0.00 C ATOM 447 CE LYS A 34 1.663 2.889 -2.516 1.00 0.00 C ATOM 448 NZ LYS A 34 1.205 3.254 -1.147 1.00 0.00 N ATOM 0 H LYS A 34 6.376 2.891 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 34 3.686 4.082 -6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.687 3.916 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.418 5.124 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.935 2.913 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.204 2.141 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.663 3.317 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.915 4.645 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.963 3.242 -3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.739 1.808 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.273 2.830 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.887 2.899 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.135 4.289 -1.069 1.00 0.00 H new ATOM 462 N VAL A 35 4.401 6.345 -7.050 1.00 0.00 N ATOM 463 CA VAL A 35 4.876 7.667 -7.561 1.00 0.00 C ATOM 464 C VAL A 35 3.984 8.792 -7.020 1.00 0.00 C ATOM 465 O VAL A 35 2.795 8.833 -7.272 1.00 0.00 O ATOM 466 CB VAL A 35 4.782 7.570 -9.092 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.404 7.047 -9.506 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.006 8.954 -9.713 1.00 0.00 C ATOM 0 H VAL A 35 3.408 6.158 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 35 5.893 7.894 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 35 5.548 6.880 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.351 6.983 -10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.246 6.058 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.633 7.727 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.939 8.881 -10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.245 9.644 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.994 9.322 -9.435 1.00 0.00 H new ATOM 478 N THR A 36 4.553 9.703 -6.276 1.00 0.00 N ATOM 479 CA THR A 36 3.745 10.826 -5.715 1.00 0.00 C ATOM 480 C THR A 36 3.857 12.058 -6.615 1.00 0.00 C ATOM 481 O THR A 36 4.916 12.639 -6.758 1.00 0.00 O ATOM 482 CB THR A 36 4.354 11.108 -4.340 1.00 0.00 C ATOM 483 OG1 THR A 36 4.733 9.882 -3.727 1.00 0.00 O ATOM 484 CG2 THR A 36 3.326 11.824 -3.461 1.00 0.00 C ATOM 0 H THR A 36 5.543 9.718 -6.032 1.00 0.00 H new ATOM 0 HA THR A 36 2.686 10.578 -5.647 1.00 0.00 H new ATOM 0 HB THR A 36 5.233 11.741 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.648 9.652 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.761 12.024 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.039 12.765 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.445 11.193 -3.344 1.00 0.00 H new ATOM 492 N VAL A 37 2.773 12.461 -7.223 1.00 0.00 N ATOM 493 CA VAL A 37 2.818 13.657 -8.114 1.00 0.00 C ATOM 494 C VAL A 37 2.173 14.859 -7.422 1.00 0.00 C ATOM 495 O VAL A 37 1.066 14.779 -6.920 1.00 0.00 O ATOM 496 CB VAL A 37 2.017 13.267 -9.358 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.080 14.405 -10.383 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.608 11.994 -9.972 1.00 0.00 C ATOM 0 H VAL A 37 1.860 12.014 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 37 3.841 13.941 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 37 0.979 13.085 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.510 14.128 -11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.657 15.311 -9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.118 14.587 -10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.036 11.718 -10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.646 12.173 -10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.563 11.184 -9.244 1.00 0.00 H new ATOM 508 N LYS A 38 2.854 15.972 -7.395 1.00 0.00 N ATOM 509 CA LYS A 38 2.281 17.184 -6.743 1.00 0.00 C ATOM 510 C LYS A 38 1.623 18.075 -7.798 1.00 0.00 C ATOM 511 O LYS A 38 2.253 18.495 -8.748 1.00 0.00 O ATOM 512 CB LYS A 38 3.477 17.896 -6.103 1.00 0.00 C ATOM 513 CG LYS A 38 3.167 18.204 -4.634 1.00 0.00 C ATOM 514 CD LYS A 38 2.691 19.655 -4.502 1.00 0.00 C ATOM 515 CE LYS A 38 3.803 20.507 -3.887 1.00 0.00 C ATOM 516 NZ LYS A 38 3.099 21.476 -3.001 1.00 0.00 N ATOM 0 H LYS A 38 3.784 16.095 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 38 1.517 16.940 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.366 17.270 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.694 18.819 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.400 17.524 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.056 18.045 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.417 20.049 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.798 19.700 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.504 19.893 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.378 21.021 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.796 22.097 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.443 22.051 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.566 20.958 -2.274 1.00 0.00 H new ATOM 530 N THR A 39 0.360 18.362 -7.640 1.00 0.00 N ATOM 531 CA THR A 39 -0.342 19.223 -8.636 1.00 0.00 C ATOM 532 C THR A 39 -0.945 20.447 -7.936 1.00 0.00 C ATOM 533 O THR A 39 -0.961 20.515 -6.724 1.00 0.00 O ATOM 534 CB THR A 39 -1.442 18.332 -9.224 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.931 17.456 -8.219 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.874 17.510 -10.384 1.00 0.00 C ATOM 0 H THR A 39 -0.217 18.038 -6.864 1.00 0.00 H new ATOM 0 HA THR A 39 0.327 19.599 -9.410 1.00 0.00 H new ATOM 0 HB THR A 39 -2.256 18.958 -9.589 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.731 16.995 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.658 16.878 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.501 18.181 -11.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.058 16.885 -10.022 1.00 0.00 H new ATOM 544 N PRO A 40 -1.425 21.379 -8.722 1.00 0.00 N ATOM 545 CA PRO A 40 -2.033 22.608 -8.151 1.00 0.00 C ATOM 546 C PRO A 40 -3.343 22.279 -7.427 1.00 0.00 C ATOM 547 O PRO A 40 -3.877 23.090 -6.696 1.00 0.00 O ATOM 548 CB PRO A 40 -2.281 23.489 -9.375 1.00 0.00 C ATOM 549 CG PRO A 40 -2.375 22.532 -10.518 1.00 0.00 C ATOM 550 CD PRO A 40 -1.455 21.386 -10.192 1.00 0.00 C ATOM 0 HA PRO A 40 -1.400 23.093 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.198 24.068 -9.267 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.469 24.202 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.399 22.182 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.081 23.012 -11.451 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.831 20.444 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.461 21.537 -10.613 1.00 0.00 H new ATOM 558 N LYS A 41 -3.862 21.093 -7.618 1.00 0.00 N ATOM 559 CA LYS A 41 -5.130 20.714 -6.933 1.00 0.00 C ATOM 560 C LYS A 41 -4.820 20.001 -5.613 1.00 0.00 C ATOM 561 O LYS A 41 -5.332 20.355 -4.570 1.00 0.00 O ATOM 562 CB LYS A 41 -5.839 19.766 -7.902 1.00 0.00 C ATOM 563 CG LYS A 41 -6.994 20.501 -8.588 1.00 0.00 C ATOM 564 CD LYS A 41 -6.461 21.298 -9.782 1.00 0.00 C ATOM 565 CE LYS A 41 -7.283 20.967 -11.030 1.00 0.00 C ATOM 566 NZ LYS A 41 -6.878 19.583 -11.402 1.00 0.00 N ATOM 0 H LYS A 41 -3.461 20.373 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.745 21.581 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.134 19.399 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.216 18.896 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.746 19.786 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.483 21.171 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.515 22.366 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.411 21.059 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.352 21.024 -10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.075 21.669 -11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.024 19.441 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.873 19.442 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.453 18.898 -10.871 1.00 0.00 H new ATOM 580 N GLU A 42 -3.981 18.998 -5.654 1.00 0.00 N ATOM 581 CA GLU A 42 -3.631 18.258 -4.405 1.00 0.00 C ATOM 582 C GLU A 42 -2.522 17.238 -4.683 1.00 0.00 C ATOM 583 O GLU A 42 -2.071 17.089 -5.801 1.00 0.00 O ATOM 584 CB GLU A 42 -4.921 17.546 -3.987 1.00 0.00 C ATOM 585 CG GLU A 42 -5.385 16.615 -5.109 1.00 0.00 C ATOM 586 CD GLU A 42 -6.576 15.786 -4.627 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.443 16.351 -3.982 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.601 14.599 -4.911 1.00 0.00 O ATOM 0 H GLU A 42 -3.523 18.659 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.261 18.923 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.753 16.975 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.697 18.279 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.666 17.198 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.570 15.958 -5.411 1.00 0.00 H new ATOM 595 N LYS A 43 -2.085 16.533 -3.674 1.00 0.00 N ATOM 596 CA LYS A 43 -1.010 15.518 -3.879 1.00 0.00 C ATOM 597 C LYS A 43 -1.627 14.123 -4.000 1.00 0.00 C ATOM 598 O LYS A 43 -2.375 13.693 -3.144 1.00 0.00 O ATOM 599 CB LYS A 43 -0.131 15.612 -2.631 1.00 0.00 C ATOM 600 CG LYS A 43 0.528 16.992 -2.571 1.00 0.00 C ATOM 601 CD LYS A 43 -0.266 17.899 -1.629 1.00 0.00 C ATOM 602 CE LYS A 43 0.696 18.813 -0.865 1.00 0.00 C ATOM 603 NZ LYS A 43 0.858 18.169 0.469 1.00 0.00 N ATOM 0 H LYS A 43 -2.426 16.616 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.438 15.695 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.732 15.446 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.632 14.834 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.557 16.900 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.567 17.431 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.978 18.497 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.844 17.296 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.652 18.900 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.292 19.821 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.505 18.737 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.068 18.106 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.250 17.213 0.348 1.00 0.00 H new ATOM 617 N GLU A 44 -1.325 13.415 -5.056 1.00 0.00 N ATOM 618 CA GLU A 44 -1.905 12.050 -5.226 1.00 0.00 C ATOM 619 C GLU A 44 -0.829 11.057 -5.675 1.00 0.00 C ATOM 620 O GLU A 44 -0.046 11.334 -6.561 1.00 0.00 O ATOM 621 CB GLU A 44 -2.971 12.207 -6.310 1.00 0.00 C ATOM 622 CG GLU A 44 -4.311 12.560 -5.663 1.00 0.00 C ATOM 623 CD GLU A 44 -5.410 12.558 -6.728 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.154 13.049 -7.815 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.486 12.064 -6.437 1.00 0.00 O ATOM 0 H GLU A 44 -0.704 13.721 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.318 11.663 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.678 12.987 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.063 11.283 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.549 11.841 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.251 13.540 -5.189 1.00 0.00 H new ATOM 632 N GLU A 45 -0.796 9.899 -5.073 1.00 0.00 N ATOM 633 CA GLU A 45 0.218 8.878 -5.466 1.00 0.00 C ATOM 634 C GLU A 45 -0.350 7.987 -6.574 1.00 0.00 C ATOM 635 O GLU A 45 -1.546 7.786 -6.665 1.00 0.00 O ATOM 636 CB GLU A 45 0.474 8.061 -4.199 1.00 0.00 C ATOM 637 CG GLU A 45 1.030 8.973 -3.104 1.00 0.00 C ATOM 638 CD GLU A 45 0.731 8.366 -1.732 1.00 0.00 C ATOM 639 OE1 GLU A 45 -0.437 8.199 -1.422 1.00 0.00 O ATOM 640 OE2 GLU A 45 1.677 8.081 -1.015 1.00 0.00 O ATOM 0 H GLU A 45 -1.428 9.615 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 45 1.135 9.326 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.451 7.594 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.179 7.257 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.105 9.098 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.583 9.964 -3.180 1.00 0.00 H new ATOM 647 N PHE A 46 0.491 7.458 -7.421 1.00 0.00 N ATOM 648 CA PHE A 46 -0.011 6.590 -8.521 1.00 0.00 C ATOM 649 C PHE A 46 0.762 5.270 -8.552 1.00 0.00 C ATOM 650 O PHE A 46 1.911 5.200 -8.161 1.00 0.00 O ATOM 651 CB PHE A 46 0.247 7.386 -9.801 1.00 0.00 C ATOM 652 CG PHE A 46 -1.032 8.049 -10.252 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.980 7.320 -10.979 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.268 9.394 -9.946 1.00 0.00 C ATOM 655 CE1 PHE A 46 -3.165 7.936 -11.399 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.454 10.011 -10.365 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.402 9.281 -11.092 1.00 0.00 C ATOM 0 H PHE A 46 1.502 7.590 -7.398 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.065 6.339 -8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.016 8.138 -9.625 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.621 6.725 -10.583 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.797 6.282 -11.216 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.535 9.957 -9.386 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.896 7.373 -11.960 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.637 11.049 -10.127 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.316 9.756 -11.416 1.00 0.00 H new ATOM 667 N ALA A 47 0.142 4.227 -9.028 1.00 0.00 N ATOM 668 CA ALA A 47 0.838 2.913 -9.106 1.00 0.00 C ATOM 669 C ALA A 47 1.204 2.628 -10.560 1.00 0.00 C ATOM 670 O ALA A 47 0.393 2.789 -11.452 1.00 0.00 O ATOM 671 CB ALA A 47 -0.176 1.891 -8.591 1.00 0.00 C ATOM 0 H ALA A 47 -0.820 4.228 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 47 1.759 2.885 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.266 0.895 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.452 2.137 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.065 1.911 -9.221 1.00 0.00 H new ATOM 677 N VAL A 48 2.412 2.210 -10.815 1.00 0.00 N ATOM 678 CA VAL A 48 2.811 1.925 -12.215 1.00 0.00 C ATOM 679 C VAL A 48 3.740 0.712 -12.225 1.00 0.00 C ATOM 680 O VAL A 48 4.523 0.537 -11.314 1.00 0.00 O ATOM 681 CB VAL A 48 3.530 3.193 -12.687 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.582 4.391 -12.564 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.764 3.442 -11.816 1.00 0.00 C ATOM 0 H VAL A 48 3.137 2.055 -10.114 1.00 0.00 H new ATOM 0 HA VAL A 48 1.971 1.690 -12.869 1.00 0.00 H new ATOM 0 HB VAL A 48 3.836 3.066 -13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.092 5.294 -12.899 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.700 4.222 -13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.279 4.510 -11.524 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.272 4.345 -12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.457 3.567 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.442 2.592 -11.895 1.00 0.00 H new ATOM 693 N PRO A 49 3.615 -0.100 -13.238 1.00 0.00 N ATOM 694 CA PRO A 49 4.450 -1.318 -13.322 1.00 0.00 C ATOM 695 C PRO A 49 5.924 -0.968 -13.520 1.00 0.00 C ATOM 696 O PRO A 49 6.287 -0.199 -14.388 1.00 0.00 O ATOM 697 CB PRO A 49 3.880 -2.068 -14.523 1.00 0.00 C ATOM 698 CG PRO A 49 3.220 -1.015 -15.353 1.00 0.00 C ATOM 699 CD PRO A 49 2.714 0.030 -14.392 1.00 0.00 C ATOM 0 HA PRO A 49 4.422 -1.914 -12.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.666 -2.577 -15.081 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.166 -2.831 -14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.925 -0.581 -16.062 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.401 -1.436 -15.935 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.759 1.029 -14.825 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.676 -0.150 -14.113 1.00 0.00 H new ATOM 707 N GLU A 50 6.763 -1.535 -12.695 1.00 0.00 N ATOM 708 CA GLU A 50 8.244 -1.286 -12.763 1.00 0.00 C ATOM 709 C GLU A 50 8.766 -1.205 -14.211 1.00 0.00 C ATOM 710 O GLU A 50 9.830 -0.672 -14.455 1.00 0.00 O ATOM 711 CB GLU A 50 8.872 -2.492 -12.056 1.00 0.00 C ATOM 712 CG GLU A 50 9.699 -2.020 -10.858 1.00 0.00 C ATOM 713 CD GLU A 50 10.850 -1.135 -11.345 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.649 -1.616 -12.132 1.00 0.00 O ATOM 715 OE2 GLU A 50 10.912 0.008 -10.923 1.00 0.00 O ATOM 0 H GLU A 50 6.481 -2.178 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 50 8.495 -0.330 -12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.092 -3.177 -11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.505 -3.043 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.068 -1.464 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.092 -2.879 -10.314 1.00 0.00 H new ATOM 722 N ASN A 51 8.049 -1.728 -15.168 1.00 0.00 N ATOM 723 CA ASN A 51 8.539 -1.661 -16.578 1.00 0.00 C ATOM 724 C ASN A 51 7.658 -0.718 -17.408 1.00 0.00 C ATOM 725 O ASN A 51 7.383 -0.969 -18.565 1.00 0.00 O ATOM 726 CB ASN A 51 8.450 -3.094 -17.108 1.00 0.00 C ATOM 727 CG ASN A 51 7.005 -3.588 -17.019 1.00 0.00 C ATOM 728 OD1 ASN A 51 6.411 -3.576 -15.961 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.411 -4.027 -18.096 1.00 0.00 N ATOM 0 H ASN A 51 7.152 -2.196 -15.038 1.00 0.00 H new ATOM 0 HA ASN A 51 9.556 -1.273 -16.638 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.794 -3.132 -18.141 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.104 -3.747 -16.530 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.448 -4.360 -18.048 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.910 -4.037 -18.986 1.00 0.00 H new ATOM 736 N SER A 52 7.218 0.367 -16.825 1.00 0.00 N ATOM 737 CA SER A 52 6.360 1.330 -17.576 1.00 0.00 C ATOM 738 C SER A 52 7.216 2.473 -18.140 1.00 0.00 C ATOM 739 O SER A 52 8.396 2.315 -18.380 1.00 0.00 O ATOM 740 CB SER A 52 5.368 1.861 -16.541 1.00 0.00 C ATOM 741 OG SER A 52 6.012 2.833 -15.726 1.00 0.00 O ATOM 0 H SER A 52 7.417 0.628 -15.859 1.00 0.00 H new ATOM 0 HA SER A 52 5.856 0.865 -18.423 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.506 2.303 -17.040 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.995 1.043 -15.925 1.00 0.00 H new ATOM 0 HG SER A 52 5.337 3.396 -15.293 1.00 0.00 H new ATOM 747 N SER A 53 6.626 3.621 -18.353 1.00 0.00 N ATOM 748 CA SER A 53 7.400 4.776 -18.899 1.00 0.00 C ATOM 749 C SER A 53 6.643 6.082 -18.640 1.00 0.00 C ATOM 750 O SER A 53 5.442 6.082 -18.451 1.00 0.00 O ATOM 751 CB SER A 53 7.508 4.505 -20.399 1.00 0.00 C ATOM 752 OG SER A 53 8.061 5.646 -21.043 1.00 0.00 O ATOM 0 H SER A 53 5.640 3.809 -18.172 1.00 0.00 H new ATOM 0 HA SER A 53 8.380 4.878 -18.434 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.135 3.632 -20.578 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.524 4.281 -20.812 1.00 0.00 H new ATOM 0 HG SER A 53 8.134 5.475 -22.005 1.00 0.00 H new ATOM 758 N VAL A 54 7.332 7.194 -18.625 1.00 0.00 N ATOM 759 CA VAL A 54 6.639 8.493 -18.371 1.00 0.00 C ATOM 760 C VAL A 54 5.628 8.795 -19.479 1.00 0.00 C ATOM 761 O VAL A 54 4.598 9.373 -19.231 1.00 0.00 O ATOM 762 CB VAL A 54 7.729 9.559 -18.324 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.085 10.919 -18.022 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.732 9.214 -17.216 1.00 0.00 C ATOM 0 H VAL A 54 8.339 7.259 -18.777 1.00 0.00 H new ATOM 0 HA VAL A 54 6.079 8.464 -17.436 1.00 0.00 H new ATOM 0 HB VAL A 54 8.247 9.600 -19.282 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.857 11.687 -17.986 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.366 11.163 -18.804 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.574 10.874 -17.060 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.512 9.975 -17.181 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.216 9.179 -16.256 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.182 8.243 -17.422 1.00 0.00 H new ATOM 774 N GLN A 55 5.909 8.430 -20.700 1.00 0.00 N ATOM 775 CA GLN A 55 4.940 8.727 -21.802 1.00 0.00 C ATOM 776 C GLN A 55 3.524 8.283 -21.399 1.00 0.00 C ATOM 777 O GLN A 55 2.565 9.021 -21.543 1.00 0.00 O ATOM 778 CB GLN A 55 5.435 7.913 -22.998 1.00 0.00 C ATOM 779 CG GLN A 55 4.629 8.293 -24.242 1.00 0.00 C ATOM 780 CD GLN A 55 5.013 7.370 -25.400 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.437 6.251 -25.187 1.00 0.00 O ATOM 782 NE2 GLN A 55 4.882 7.795 -26.627 1.00 0.00 N ATOM 0 H GLN A 55 6.759 7.943 -20.984 1.00 0.00 H new ATOM 0 HA GLN A 55 4.888 9.792 -22.028 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.495 8.102 -23.167 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.330 6.847 -22.795 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.562 8.211 -24.036 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.823 9.331 -24.511 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.526 8.734 -26.806 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.135 7.188 -27.407 1.00 0.00 H new ATOM 791 N GLN A 56 3.390 7.093 -20.881 1.00 0.00 N ATOM 792 CA GLN A 56 2.041 6.609 -20.459 1.00 0.00 C ATOM 793 C GLN A 56 1.630 7.264 -19.135 1.00 0.00 C ATOM 794 O GLN A 56 0.539 7.781 -19.000 1.00 0.00 O ATOM 795 CB GLN A 56 2.199 5.097 -20.284 1.00 0.00 C ATOM 796 CG GLN A 56 0.866 4.488 -19.835 1.00 0.00 C ATOM 797 CD GLN A 56 1.080 3.667 -18.561 1.00 0.00 C ATOM 798 OE1 GLN A 56 0.405 3.873 -17.571 1.00 0.00 O ATOM 799 NE2 GLN A 56 1.997 2.738 -18.544 1.00 0.00 N ATOM 0 H GLN A 56 4.154 6.434 -20.731 1.00 0.00 H new ATOM 0 HA GLN A 56 1.268 6.857 -21.187 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.519 4.644 -21.222 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.974 4.885 -19.547 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.137 5.278 -19.653 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.460 3.855 -20.624 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.563 2.565 -19.375 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.147 2.185 -17.700 1.00 0.00 H new ATOM 808 N PHE A 57 2.495 7.239 -18.154 1.00 0.00 N ATOM 809 CA PHE A 57 2.155 7.852 -16.835 1.00 0.00 C ATOM 810 C PHE A 57 1.863 9.348 -16.995 1.00 0.00 C ATOM 811 O PHE A 57 0.858 9.848 -16.529 1.00 0.00 O ATOM 812 CB PHE A 57 3.396 7.637 -15.966 1.00 0.00 C ATOM 813 CG PHE A 57 3.170 8.238 -14.599 1.00 0.00 C ATOM 814 CD1 PHE A 57 2.020 7.911 -13.870 1.00 0.00 C ATOM 815 CD2 PHE A 57 4.109 9.127 -14.061 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.809 8.470 -12.605 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.898 9.685 -12.795 1.00 0.00 C ATOM 818 CZ PHE A 57 2.749 9.357 -12.067 1.00 0.00 C ATOM 0 H PHE A 57 3.423 6.820 -18.210 1.00 0.00 H new ATOM 0 HA PHE A 57 1.264 7.405 -16.394 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.608 6.572 -15.875 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.265 8.096 -16.437 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.295 7.226 -14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.995 9.382 -14.623 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.921 8.217 -12.044 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.623 10.369 -12.380 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.587 9.788 -11.090 1.00 0.00 H new ATOM 828 N LYS A 58 2.738 10.065 -17.649 1.00 0.00 N ATOM 829 CA LYS A 58 2.518 11.529 -17.837 1.00 0.00 C ATOM 830 C LYS A 58 1.187 11.769 -18.559 1.00 0.00 C ATOM 831 O LYS A 58 0.528 12.769 -18.350 1.00 0.00 O ATOM 832 CB LYS A 58 3.706 12.021 -18.682 1.00 0.00 C ATOM 833 CG LYS A 58 3.523 11.630 -20.153 1.00 0.00 C ATOM 834 CD LYS A 58 2.775 12.741 -20.892 1.00 0.00 C ATOM 835 CE LYS A 58 3.239 12.788 -22.350 1.00 0.00 C ATOM 836 NZ LYS A 58 4.543 13.505 -22.315 1.00 0.00 N ATOM 0 H LYS A 58 3.596 9.700 -18.062 1.00 0.00 H new ATOM 0 HA LYS A 58 2.464 12.064 -16.889 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.796 13.104 -18.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.633 11.593 -18.299 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.494 11.461 -20.618 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.968 10.695 -20.224 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.701 12.563 -20.847 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.959 13.701 -20.410 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.351 11.785 -22.761 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.517 13.311 -22.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.462 14.398 -22.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.802 13.707 -21.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.277 12.911 -22.751 1.00 0.00 H new ATOM 850 N GLU A 59 0.784 10.851 -19.400 1.00 0.00 N ATOM 851 CA GLU A 59 -0.507 11.021 -20.126 1.00 0.00 C ATOM 852 C GLU A 59 -1.667 10.518 -19.260 1.00 0.00 C ATOM 853 O GLU A 59 -2.789 10.967 -19.388 1.00 0.00 O ATOM 854 CB GLU A 59 -0.368 10.167 -21.388 1.00 0.00 C ATOM 855 CG GLU A 59 -1.583 10.386 -22.293 1.00 0.00 C ATOM 856 CD GLU A 59 -2.558 9.217 -22.138 1.00 0.00 C ATOM 857 OE1 GLU A 59 -2.642 8.682 -21.045 1.00 0.00 O ATOM 858 OE2 GLU A 59 -3.205 8.878 -23.115 1.00 0.00 O ATOM 0 H GLU A 59 1.293 9.993 -19.614 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.715 12.064 -20.363 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.546 10.432 -21.919 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.287 9.114 -21.119 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.078 11.322 -22.034 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.264 10.471 -23.332 1.00 0.00 H new ATOM 865 N ALA A 60 -1.401 9.592 -18.376 1.00 0.00 N ATOM 866 CA ALA A 60 -2.483 9.062 -17.495 1.00 0.00 C ATOM 867 C ALA A 60 -2.940 10.149 -16.521 1.00 0.00 C ATOM 868 O ALA A 60 -4.117 10.313 -16.261 1.00 0.00 O ATOM 869 CB ALA A 60 -1.847 7.894 -16.738 1.00 0.00 C ATOM 0 H ALA A 60 -0.480 9.180 -18.226 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.361 8.747 -18.059 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.583 7.451 -16.067 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.505 7.142 -17.449 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.999 8.256 -16.157 1.00 0.00 H new ATOM 875 N ILE A 61 -2.012 10.887 -15.979 1.00 0.00 N ATOM 876 CA ILE A 61 -2.371 11.966 -15.015 1.00 0.00 C ATOM 877 C ILE A 61 -3.278 13.003 -15.690 1.00 0.00 C ATOM 878 O ILE A 61 -4.103 13.629 -15.055 1.00 0.00 O ATOM 879 CB ILE A 61 -1.023 12.579 -14.603 1.00 0.00 C ATOM 880 CG1 ILE A 61 -1.119 13.115 -13.170 1.00 0.00 C ATOM 881 CG2 ILE A 61 -0.637 13.718 -15.553 1.00 0.00 C ATOM 882 CD1 ILE A 61 -0.090 12.405 -12.290 1.00 0.00 C ATOM 0 H ILE A 61 -1.014 10.789 -16.163 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.926 11.596 -14.153 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.257 11.806 -14.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.942 14.190 -13.160 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.123 12.954 -12.777 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.320 14.140 -15.246 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.554 13.332 -16.569 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.402 14.494 -15.521 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.158 12.786 -11.271 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.288 11.333 -12.291 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.911 12.589 -12.680 1.00 0.00 H new ATOM 894 N SER A 62 -3.127 13.182 -16.974 1.00 0.00 N ATOM 895 CA SER A 62 -3.974 14.175 -17.700 1.00 0.00 C ATOM 896 C SER A 62 -5.452 13.779 -17.617 1.00 0.00 C ATOM 897 O SER A 62 -6.312 14.605 -17.393 1.00 0.00 O ATOM 898 CB SER A 62 -3.490 14.127 -19.149 1.00 0.00 C ATOM 899 OG SER A 62 -4.281 15.006 -19.937 1.00 0.00 O ATOM 0 H SER A 62 -2.453 12.683 -17.554 1.00 0.00 H new ATOM 0 HA SER A 62 -3.889 15.174 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.440 14.416 -19.204 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.561 13.110 -19.535 1.00 0.00 H new ATOM 0 HG SER A 62 -3.696 15.596 -20.456 1.00 0.00 H new ATOM 905 N LYS A 63 -5.751 12.524 -17.810 1.00 0.00 N ATOM 906 CA LYS A 63 -7.175 12.073 -17.756 1.00 0.00 C ATOM 907 C LYS A 63 -7.809 12.413 -16.401 1.00 0.00 C ATOM 908 O LYS A 63 -8.898 12.950 -16.338 1.00 0.00 O ATOM 909 CB LYS A 63 -7.117 10.558 -17.952 1.00 0.00 C ATOM 910 CG LYS A 63 -6.907 10.243 -19.434 1.00 0.00 C ATOM 911 CD LYS A 63 -8.266 10.047 -20.112 1.00 0.00 C ATOM 912 CE LYS A 63 -8.087 10.070 -21.632 1.00 0.00 C ATOM 913 NZ LYS A 63 -8.522 11.432 -22.049 1.00 0.00 N ATOM 0 H LYS A 63 -5.071 11.788 -18.003 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.784 12.566 -18.514 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.305 10.135 -17.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.041 10.099 -17.599 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.362 11.055 -19.916 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.301 9.344 -19.543 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.706 9.099 -19.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.955 10.834 -19.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.050 9.884 -21.910 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.689 9.299 -22.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.428 11.526 -23.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.515 11.578 -21.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.927 12.145 -21.581 1.00 0.00 H new ATOM 927 N ARG A 64 -7.148 12.094 -15.320 1.00 0.00 N ATOM 928 CA ARG A 64 -7.728 12.389 -13.973 1.00 0.00 C ATOM 929 C ARG A 64 -7.715 13.896 -13.689 1.00 0.00 C ATOM 930 O ARG A 64 -8.726 14.478 -13.347 1.00 0.00 O ATOM 931 CB ARG A 64 -6.827 11.650 -12.983 1.00 0.00 C ATOM 932 CG ARG A 64 -7.632 11.284 -11.732 1.00 0.00 C ATOM 933 CD ARG A 64 -7.275 9.864 -11.289 1.00 0.00 C ATOM 934 NE ARG A 64 -7.304 9.906 -9.801 1.00 0.00 N ATOM 935 CZ ARG A 64 -6.335 9.367 -9.114 1.00 0.00 C ATOM 936 NH1 ARG A 64 -5.201 9.998 -8.981 1.00 0.00 N ATOM 937 NH2 ARG A 64 -6.499 8.197 -8.560 1.00 0.00 N ATOM 0 H ARG A 64 -6.233 11.643 -15.309 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.768 12.070 -13.901 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.424 10.749 -13.445 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.977 12.276 -12.711 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.418 11.991 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.700 11.353 -11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.989 9.138 -11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.291 9.571 -11.657 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.082 10.356 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.072 10.912 -9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.443 9.577 -8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.385 7.703 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.741 7.776 -8.023 1.00 0.00 H new ATOM 951 N PHE A 65 -6.580 14.528 -13.824 1.00 0.00 N ATOM 952 CA PHE A 65 -6.502 15.997 -13.558 1.00 0.00 C ATOM 953 C PHE A 65 -7.304 16.772 -14.607 1.00 0.00 C ATOM 954 O PHE A 65 -7.913 17.780 -14.312 1.00 0.00 O ATOM 955 CB PHE A 65 -5.016 16.346 -13.648 1.00 0.00 C ATOM 956 CG PHE A 65 -4.351 16.086 -12.314 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.895 16.624 -11.140 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.191 15.306 -12.253 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.277 16.380 -9.907 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.573 15.062 -11.020 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.116 15.599 -9.847 1.00 0.00 C ATOM 0 H PHE A 65 -5.702 14.092 -14.107 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.919 16.259 -12.586 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.539 15.750 -14.426 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.894 17.392 -13.928 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.790 17.226 -11.186 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.772 14.892 -13.158 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.696 16.794 -9.002 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.678 14.460 -10.974 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.640 15.411 -8.896 1.00 0.00 H new ATOM 971 N LYS A 66 -7.293 16.308 -15.831 1.00 0.00 N ATOM 972 CA LYS A 66 -8.039 17.002 -16.932 1.00 0.00 C ATOM 973 C LYS A 66 -7.366 18.334 -17.264 1.00 0.00 C ATOM 974 O LYS A 66 -7.783 19.384 -16.815 1.00 0.00 O ATOM 975 CB LYS A 66 -9.471 17.229 -16.420 1.00 0.00 C ATOM 976 CG LYS A 66 -10.001 15.951 -15.764 1.00 0.00 C ATOM 977 CD LYS A 66 -11.514 15.860 -15.968 1.00 0.00 C ATOM 978 CE LYS A 66 -12.000 14.462 -15.579 1.00 0.00 C ATOM 979 NZ LYS A 66 -12.439 14.590 -14.161 1.00 0.00 N ATOM 0 H LYS A 66 -6.793 15.467 -16.121 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.046 16.405 -17.844 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.484 18.049 -15.702 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.120 17.520 -17.246 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.512 15.078 -16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.767 15.952 -14.699 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.019 16.613 -15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.764 16.067 -17.009 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.820 14.137 -16.219 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.204 13.724 -15.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.787 13.671 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.636 14.895 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.202 15.294 -14.096 1.00 0.00 H new ATOM 993 N SER A 67 -6.324 18.294 -18.052 1.00 0.00 N ATOM 994 CA SER A 67 -5.609 19.549 -18.426 1.00 0.00 C ATOM 995 C SER A 67 -4.630 19.268 -19.570 1.00 0.00 C ATOM 996 O SER A 67 -4.807 18.341 -20.335 1.00 0.00 O ATOM 997 CB SER A 67 -4.858 19.968 -17.163 1.00 0.00 C ATOM 998 OG SER A 67 -3.779 19.070 -16.939 1.00 0.00 O ATOM 0 H SER A 67 -5.936 17.441 -18.455 1.00 0.00 H new ATOM 0 HA SER A 67 -6.287 20.330 -18.770 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.483 20.986 -17.270 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.533 19.965 -16.307 1.00 0.00 H new ATOM 0 HG SER A 67 -3.294 19.337 -16.130 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.596 20.060 -19.691 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.607 19.833 -20.785 1.00 0.00 C ATOM 1006 C GLN A 68 -1.721 18.627 -20.453 1.00 0.00 C ATOM 1007 O GLN A 68 -1.578 18.248 -19.308 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.772 21.113 -20.839 1.00 0.00 C ATOM 1009 CG GLN A 68 -2.329 22.040 -21.922 1.00 0.00 C ATOM 1010 CD GLN A 68 -2.090 21.419 -23.299 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -2.992 20.862 -23.892 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.904 21.493 -23.837 1.00 0.00 N ATOM 0 H GLN A 68 -3.395 20.852 -19.081 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.089 19.622 -21.740 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.792 21.614 -19.871 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.731 20.872 -21.052 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.395 22.201 -21.764 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.847 23.016 -21.863 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.146 21.961 -23.339 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.734 21.083 -24.755 1.00 0.00 H new ATOM 1021 N THR A 69 -1.130 18.020 -21.449 1.00 0.00 N ATOM 1022 CA THR A 69 -0.256 16.838 -21.190 1.00 0.00 C ATOM 1023 C THR A 69 1.108 17.026 -21.862 1.00 0.00 C ATOM 1024 O THR A 69 2.137 16.714 -21.295 1.00 0.00 O ATOM 1025 CB THR A 69 -0.998 15.652 -21.808 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.349 15.662 -21.369 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.328 14.347 -21.376 1.00 0.00 C ATOM 0 H THR A 69 -1.215 18.291 -22.429 1.00 0.00 H new ATOM 0 HA THR A 69 -0.067 16.692 -20.126 1.00 0.00 H new ATOM 0 HB THR A 69 -0.968 15.729 -22.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.878 15.053 -21.925 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.858 13.503 -21.817 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.709 14.341 -21.713 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.357 14.266 -20.289 1.00 0.00 H new ATOM 1035 N ASP A 70 1.122 17.533 -23.067 1.00 0.00 N ATOM 1036 CA ASP A 70 2.420 17.740 -23.778 1.00 0.00 C ATOM 1037 C ASP A 70 3.342 18.637 -22.946 1.00 0.00 C ATOM 1038 O ASP A 70 4.404 18.226 -22.521 1.00 0.00 O ATOM 1039 CB ASP A 70 2.047 18.427 -25.093 1.00 0.00 C ATOM 1040 CG ASP A 70 3.286 18.527 -25.985 1.00 0.00 C ATOM 1041 OD1 ASP A 70 3.937 17.514 -26.178 1.00 0.00 O ATOM 1042 OD2 ASP A 70 3.562 19.616 -26.462 1.00 0.00 O ATOM 0 H ASP A 70 0.292 17.813 -23.590 1.00 0.00 H new ATOM 0 HA ASP A 70 2.953 16.804 -23.944 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.264 17.863 -25.601 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.647 19.421 -24.895 1.00 0.00 H new ATOM 1047 N GLN A 71 2.941 19.857 -22.711 1.00 0.00 N ATOM 1048 CA GLN A 71 3.791 20.783 -21.906 1.00 0.00 C ATOM 1049 C GLN A 71 3.828 20.329 -20.444 1.00 0.00 C ATOM 1050 O GLN A 71 4.761 20.615 -19.719 1.00 0.00 O ATOM 1051 CB GLN A 71 3.116 22.150 -22.026 1.00 0.00 C ATOM 1052 CG GLN A 71 3.178 22.626 -23.479 1.00 0.00 C ATOM 1053 CD GLN A 71 4.449 23.448 -23.693 1.00 0.00 C ATOM 1054 OE1 GLN A 71 5.524 22.900 -23.838 1.00 0.00 O ATOM 1055 NE2 GLN A 71 4.372 24.751 -23.720 1.00 0.00 N ATOM 0 H GLN A 71 2.061 20.253 -23.041 1.00 0.00 H new ATOM 0 HA GLN A 71 4.822 20.807 -22.258 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.079 22.085 -21.698 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.612 22.870 -21.375 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.168 21.770 -24.154 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.300 23.227 -23.714 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.470 25.211 -23.598 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.214 25.309 -23.863 1.00 0.00 H new ATOM 1064 N LEU A 72 2.816 19.628 -20.005 1.00 0.00 N ATOM 1065 CA LEU A 72 2.788 19.157 -18.589 1.00 0.00 C ATOM 1066 C LEU A 72 3.929 18.170 -18.329 1.00 0.00 C ATOM 1067 O LEU A 72 3.995 17.111 -18.924 1.00 0.00 O ATOM 1068 CB LEU A 72 1.434 18.464 -18.427 1.00 0.00 C ATOM 1069 CG LEU A 72 1.050 18.431 -16.947 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.443 18.129 -16.813 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.856 17.341 -16.237 1.00 0.00 C ATOM 0 H LEU A 72 2.007 19.361 -20.566 1.00 0.00 H new ATOM 0 HA LEU A 72 2.915 19.978 -17.883 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.672 18.993 -18.999 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.483 17.450 -18.823 1.00 0.00 H new ATOM 0 HG LEU A 72 1.266 19.398 -16.494 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.716 18.106 -15.758 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.018 18.904 -17.320 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.661 17.162 -17.266 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.584 17.316 -15.182 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.639 16.374 -16.691 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.920 17.555 -16.332 1.00 0.00 H new ATOM 1083 N VAL A 73 4.824 18.508 -17.439 1.00 0.00 N ATOM 1084 CA VAL A 73 5.962 17.593 -17.129 1.00 0.00 C ATOM 1085 C VAL A 73 6.218 17.579 -15.620 1.00 0.00 C ATOM 1086 O VAL A 73 5.689 18.395 -14.891 1.00 0.00 O ATOM 1087 CB VAL A 73 7.163 18.179 -17.875 1.00 0.00 C ATOM 1088 CG1 VAL A 73 6.891 18.150 -19.380 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.392 19.625 -17.428 1.00 0.00 C ATOM 0 H VAL A 73 4.816 19.381 -16.912 1.00 0.00 H new ATOM 0 HA VAL A 73 5.764 16.565 -17.432 1.00 0.00 H new ATOM 0 HB VAL A 73 8.050 17.587 -17.652 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.746 18.567 -19.912 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.731 17.121 -19.701 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.002 18.741 -19.601 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.248 20.039 -17.961 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.505 20.219 -17.649 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.587 19.648 -16.356 1.00 0.00 H new ATOM 1099 N LEU A 74 7.021 16.665 -15.141 1.00 0.00 N ATOM 1100 CA LEU A 74 7.292 16.622 -13.677 1.00 0.00 C ATOM 1101 C LEU A 74 8.732 17.064 -13.394 1.00 0.00 C ATOM 1102 O LEU A 74 9.629 16.832 -14.180 1.00 0.00 O ATOM 1103 CB LEU A 74 7.078 15.161 -13.280 1.00 0.00 C ATOM 1104 CG LEU A 74 5.691 14.981 -12.654 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.560 15.868 -11.413 1.00 0.00 C ATOM 1106 CD2 LEU A 74 4.617 15.365 -13.677 1.00 0.00 C ATOM 0 H LEU A 74 7.496 15.953 -15.696 1.00 0.00 H new ATOM 0 HA LEU A 74 6.644 17.292 -13.112 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.175 14.520 -14.156 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.847 14.852 -12.572 1.00 0.00 H new ATOM 0 HG LEU A 74 5.561 13.939 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.572 15.735 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.322 15.590 -10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.693 16.912 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.630 15.237 -13.233 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.751 16.406 -13.972 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.706 14.725 -14.555 1.00 0.00 H new ATOM 1118 N ILE A 75 8.955 17.707 -12.278 1.00 0.00 N ATOM 1119 CA ILE A 75 10.332 18.172 -11.940 1.00 0.00 C ATOM 1120 C ILE A 75 10.963 17.245 -10.901 1.00 0.00 C ATOM 1121 O ILE A 75 10.793 17.424 -9.708 1.00 0.00 O ATOM 1122 CB ILE A 75 10.145 19.581 -11.366 1.00 0.00 C ATOM 1123 CG1 ILE A 75 9.636 20.517 -12.467 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.481 20.107 -10.829 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.642 20.562 -13.622 1.00 0.00 C ATOM 0 H ILE A 75 8.241 17.931 -11.585 1.00 0.00 H new ATOM 0 HA ILE A 75 10.994 18.171 -12.806 1.00 0.00 H new ATOM 0 HB ILE A 75 9.421 19.543 -10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.668 20.172 -12.830 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.487 21.519 -12.064 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.341 21.109 -10.423 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.844 19.444 -10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.210 20.143 -11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.273 21.230 -14.400 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.601 20.928 -13.255 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.769 19.561 -14.033 1.00 0.00 H new ATOM 1137 N PHE A 76 11.689 16.257 -11.347 1.00 0.00 N ATOM 1138 CA PHE A 76 12.336 15.313 -10.390 1.00 0.00 C ATOM 1139 C PHE A 76 13.538 15.980 -9.714 1.00 0.00 C ATOM 1140 O PHE A 76 14.668 15.565 -9.886 1.00 0.00 O ATOM 1141 CB PHE A 76 12.791 14.131 -11.244 1.00 0.00 C ATOM 1142 CG PHE A 76 13.134 12.969 -10.345 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.149 12.402 -9.527 1.00 0.00 C ATOM 1144 CD2 PHE A 76 14.438 12.460 -10.325 1.00 0.00 C ATOM 1145 CE1 PHE A 76 12.468 11.328 -8.688 1.00 0.00 C ATOM 1146 CE2 PHE A 76 14.758 11.386 -9.486 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.773 10.819 -8.669 1.00 0.00 C ATOM 0 H PHE A 76 11.863 16.062 -12.333 1.00 0.00 H new ATOM 0 HA PHE A 76 11.657 15.005 -9.595 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.003 13.846 -11.941 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.658 14.412 -11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.143 12.794 -9.543 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.197 12.896 -10.957 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.709 10.892 -8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 76 15.765 10.995 -9.469 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.019 9.989 -8.024 1.00 0.00 H new ATOM 1157 N ALA A 77 13.300 17.010 -8.942 1.00 0.00 N ATOM 1158 CA ALA A 77 14.423 17.709 -8.242 1.00 0.00 C ATOM 1159 C ALA A 77 15.559 18.030 -9.220 1.00 0.00 C ATOM 1160 O ALA A 77 16.555 17.335 -9.276 1.00 0.00 O ATOM 1161 CB ALA A 77 14.898 16.722 -7.176 1.00 0.00 C ATOM 0 H ALA A 77 12.374 17.399 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 77 14.106 18.659 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.724 17.161 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.077 16.498 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.233 15.802 -7.655 1.00 0.00 H new ATOM 1167 N GLY A 78 15.417 19.076 -9.989 1.00 0.00 N ATOM 1168 CA GLY A 78 16.489 19.440 -10.960 1.00 0.00 C ATOM 1169 C GLY A 78 16.260 18.702 -12.280 1.00 0.00 C ATOM 1170 O GLY A 78 16.212 19.301 -13.336 1.00 0.00 O ATOM 0 H GLY A 78 14.605 19.694 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.489 20.517 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.466 19.181 -10.552 1.00 0.00 H new ATOM 1174 N LYS A 79 16.117 17.403 -12.228 1.00 0.00 N ATOM 1175 CA LYS A 79 15.889 16.627 -13.482 1.00 0.00 C ATOM 1176 C LYS A 79 14.443 16.805 -13.948 1.00 0.00 C ATOM 1177 O LYS A 79 13.654 17.469 -13.303 1.00 0.00 O ATOM 1178 CB LYS A 79 16.153 15.170 -13.102 1.00 0.00 C ATOM 1179 CG LYS A 79 17.620 14.827 -13.376 1.00 0.00 C ATOM 1180 CD LYS A 79 17.724 13.384 -13.870 1.00 0.00 C ATOM 1181 CE LYS A 79 18.874 13.270 -14.875 1.00 0.00 C ATOM 1182 NZ LYS A 79 18.628 11.990 -15.597 1.00 0.00 N ATOM 0 H LYS A 79 16.148 16.848 -11.373 1.00 0.00 H new ATOM 0 HA LYS A 79 16.533 16.956 -14.297 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.922 15.010 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.501 14.510 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.030 15.508 -14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.210 14.955 -12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.894 12.712 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.787 13.080 -14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.883 14.116 -15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.840 13.259 -14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.376 11.841 -16.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.632 11.202 -14.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.704 12.032 -16.073 1.00 0.00 H new ATOM 1196 N ILE A 80 14.086 16.217 -15.058 1.00 0.00 N ATOM 1197 CA ILE A 80 12.682 16.357 -15.551 1.00 0.00 C ATOM 1198 C ILE A 80 11.996 15.000 -15.553 1.00 0.00 C ATOM 1199 O ILE A 80 12.260 14.174 -16.405 1.00 0.00 O ATOM 1200 CB ILE A 80 12.754 16.890 -16.998 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.143 17.472 -17.307 1.00 0.00 C ATOM 1202 CG2 ILE A 80 11.699 17.984 -17.183 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.442 18.635 -16.356 1.00 0.00 C ATOM 0 H ILE A 80 14.700 15.649 -15.642 1.00 0.00 H new ATOM 0 HA ILE A 80 12.118 17.033 -14.909 1.00 0.00 H new ATOM 0 HB ILE A 80 12.568 16.061 -17.681 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.903 16.698 -17.200 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.181 17.816 -18.340 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.745 18.365 -18.203 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.709 17.570 -16.994 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.892 18.797 -16.483 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.428 19.044 -16.579 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.689 19.413 -16.484 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.422 18.277 -15.327 1.00 0.00 H new ATOM 1215 N LEU A 81 11.097 14.762 -14.635 1.00 0.00 N ATOM 1216 CA LEU A 81 10.385 13.459 -14.645 1.00 0.00 C ATOM 1217 C LEU A 81 9.469 13.452 -15.866 1.00 0.00 C ATOM 1218 O LEU A 81 8.264 13.590 -15.765 1.00 0.00 O ATOM 1219 CB LEU A 81 9.582 13.405 -13.345 1.00 0.00 C ATOM 1220 CG LEU A 81 10.026 12.197 -12.518 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.301 12.198 -11.170 1.00 0.00 C ATOM 1222 CD2 LEU A 81 9.680 10.914 -13.273 1.00 0.00 C ATOM 0 H LEU A 81 10.830 15.406 -13.890 1.00 0.00 H new ATOM 0 HA LEU A 81 11.050 12.597 -14.704 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.730 14.323 -12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.517 13.336 -13.566 1.00 0.00 H new ATOM 0 HG LEU A 81 11.102 12.250 -12.351 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.620 11.336 -10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.541 13.113 -10.629 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.225 12.146 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.995 10.051 -12.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.603 10.868 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.195 10.907 -14.234 1.00 0.00 H new ATOM 1234 N LYS A 82 10.054 13.338 -17.026 1.00 0.00 N ATOM 1235 CA LYS A 82 9.258 13.360 -18.278 1.00 0.00 C ATOM 1236 C LYS A 82 9.557 12.125 -19.125 1.00 0.00 C ATOM 1237 O LYS A 82 10.051 11.127 -18.640 1.00 0.00 O ATOM 1238 CB LYS A 82 9.719 14.625 -19.000 1.00 0.00 C ATOM 1239 CG LYS A 82 8.542 15.240 -19.752 1.00 0.00 C ATOM 1240 CD LYS A 82 9.057 16.011 -20.970 1.00 0.00 C ATOM 1241 CE LYS A 82 9.922 17.185 -20.506 1.00 0.00 C ATOM 1242 NZ LYS A 82 9.808 18.198 -21.592 1.00 0.00 N ATOM 0 H LYS A 82 11.060 13.230 -17.158 1.00 0.00 H new ATOM 0 HA LYS A 82 8.185 13.355 -18.088 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.119 15.341 -18.282 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.524 14.387 -19.695 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.852 14.458 -20.069 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.986 15.908 -19.094 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.638 15.350 -21.613 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.219 16.376 -21.563 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.569 17.584 -19.555 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.958 16.879 -20.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.276 19.078 -21.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.264 17.836 -22.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.804 18.388 -21.786 1.00 0.00 H new ATOM 1256 N ASP A 83 9.258 12.193 -20.390 1.00 0.00 N ATOM 1257 CA ASP A 83 9.520 11.033 -21.291 1.00 0.00 C ATOM 1258 C ASP A 83 11.018 10.905 -21.573 1.00 0.00 C ATOM 1259 O ASP A 83 11.488 9.876 -22.017 1.00 0.00 O ATOM 1260 CB ASP A 83 8.738 11.333 -22.571 1.00 0.00 C ATOM 1261 CG ASP A 83 9.240 12.636 -23.204 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.987 13.348 -22.550 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.866 12.902 -24.335 1.00 0.00 O ATOM 0 H ASP A 83 8.841 13.006 -20.844 1.00 0.00 H new ATOM 0 HA ASP A 83 9.209 10.087 -20.848 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.851 10.510 -23.277 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.675 11.416 -22.346 1.00 0.00 H new ATOM 1268 N GLN A 84 11.772 11.941 -21.310 1.00 0.00 N ATOM 1269 CA GLN A 84 13.242 11.880 -21.554 1.00 0.00 C ATOM 1270 C GLN A 84 13.836 10.654 -20.858 1.00 0.00 C ATOM 1271 O GLN A 84 14.788 10.062 -21.326 1.00 0.00 O ATOM 1272 CB GLN A 84 13.802 13.167 -20.942 1.00 0.00 C ATOM 1273 CG GLN A 84 15.307 13.246 -21.212 1.00 0.00 C ATOM 1274 CD GLN A 84 15.973 14.135 -20.158 1.00 0.00 C ATOM 1275 OE1 GLN A 84 15.328 14.596 -19.237 1.00 0.00 O ATOM 1276 NE2 GLN A 84 17.248 14.395 -20.254 1.00 0.00 N ATOM 0 H GLN A 84 11.432 12.827 -20.936 1.00 0.00 H new ATOM 0 HA GLN A 84 13.483 11.797 -22.614 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.299 14.035 -21.369 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.613 13.185 -19.869 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.744 12.248 -21.188 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.487 13.649 -22.209 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.791 14.009 -21.027 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.702 14.985 -19.556 1.00 0.00 H new ATOM 1285 N ASP A 85 13.277 10.270 -19.741 1.00 0.00 N ATOM 1286 CA ASP A 85 13.808 9.081 -19.012 1.00 0.00 C ATOM 1287 C ASP A 85 12.663 8.144 -18.623 1.00 0.00 C ATOM 1288 O ASP A 85 11.503 8.490 -18.736 1.00 0.00 O ATOM 1289 CB ASP A 85 14.483 9.650 -17.763 1.00 0.00 C ATOM 1290 CG ASP A 85 15.627 8.729 -17.337 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.701 8.848 -17.904 1.00 0.00 O ATOM 1292 OD2 ASP A 85 15.411 7.920 -16.449 1.00 0.00 O ATOM 0 H ASP A 85 12.477 10.727 -19.303 1.00 0.00 H new ATOM 0 HA ASP A 85 14.501 8.500 -19.621 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.864 10.651 -17.967 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.757 9.744 -16.955 1.00 0.00 H new ATOM 1297 N THR A 86 12.977 6.962 -18.163 1.00 0.00 N ATOM 1298 CA THR A 86 11.902 6.009 -17.763 1.00 0.00 C ATOM 1299 C THR A 86 11.535 6.229 -16.296 1.00 0.00 C ATOM 1300 O THR A 86 12.392 6.405 -15.451 1.00 0.00 O ATOM 1301 CB THR A 86 12.492 4.606 -17.968 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.800 4.707 -18.517 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.599 3.808 -18.919 1.00 0.00 C ATOM 0 H THR A 86 13.930 6.616 -18.047 1.00 0.00 H new ATOM 0 HA THR A 86 10.993 6.146 -18.349 1.00 0.00 H new ATOM 0 HB THR A 86 12.545 4.097 -17.006 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.172 3.809 -18.644 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.019 2.813 -19.063 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.599 3.722 -18.493 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.541 4.320 -19.879 1.00 0.00 H new ATOM 1311 N LEU A 87 10.267 6.223 -15.986 1.00 0.00 N ATOM 1312 CA LEU A 87 9.840 6.436 -14.572 1.00 0.00 C ATOM 1313 C LEU A 87 10.508 5.413 -13.653 1.00 0.00 C ATOM 1314 O LEU A 87 11.048 5.752 -12.617 1.00 0.00 O ATOM 1315 CB LEU A 87 8.322 6.236 -14.593 1.00 0.00 C ATOM 1316 CG LEU A 87 7.715 6.693 -13.266 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.112 8.146 -12.989 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.191 6.591 -13.343 1.00 0.00 C ATOM 0 H LEU A 87 9.507 6.080 -16.651 1.00 0.00 H new ATOM 0 HA LEU A 87 10.120 7.420 -14.196 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.884 6.801 -15.416 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.088 5.186 -14.767 1.00 0.00 H new ATOM 0 HG LEU A 87 8.086 6.057 -12.462 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.677 8.468 -12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.198 8.222 -12.934 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.744 8.783 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.756 6.916 -12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.824 7.226 -14.149 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.905 5.557 -13.537 1.00 0.00 H new ATOM 1330 N ILE A 88 10.479 4.168 -14.028 1.00 0.00 N ATOM 1331 CA ILE A 88 11.114 3.115 -13.186 1.00 0.00 C ATOM 1332 C ILE A 88 12.643 3.185 -13.283 1.00 0.00 C ATOM 1333 O ILE A 88 13.351 2.588 -12.496 1.00 0.00 O ATOM 1334 CB ILE A 88 10.597 1.796 -13.761 1.00 0.00 C ATOM 1335 CG1 ILE A 88 11.115 1.627 -15.213 1.00 0.00 C ATOM 1336 CG2 ILE A 88 9.060 1.789 -13.705 1.00 0.00 C ATOM 1337 CD1 ILE A 88 9.969 1.665 -16.231 1.00 0.00 C ATOM 0 H ILE A 88 10.041 3.830 -14.885 1.00 0.00 H new ATOM 0 HA ILE A 88 10.869 3.231 -12.130 1.00 0.00 H new ATOM 0 HB ILE A 88 10.964 0.955 -13.173 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.829 2.419 -15.439 1.00 0.00 H new ATOM 0 HG13 ILE A 88 11.649 0.681 -15.301 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.685 0.851 -14.114 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.733 1.890 -12.670 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.671 2.621 -14.291 1.00 0.00 H new ATOM 0 HD11 ILE A 88 10.371 1.543 -17.237 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.268 0.857 -16.020 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.451 2.622 -16.161 1.00 0.00 H new ATOM 1349 N GLN A 89 13.155 3.881 -14.263 1.00 0.00 N ATOM 1350 CA GLN A 89 14.634 3.958 -14.437 1.00 0.00 C ATOM 1351 C GLN A 89 15.237 5.142 -13.674 1.00 0.00 C ATOM 1352 O GLN A 89 16.444 5.264 -13.575 1.00 0.00 O ATOM 1353 CB GLN A 89 14.832 4.143 -15.943 1.00 0.00 C ATOM 1354 CG GLN A 89 16.328 4.133 -16.272 1.00 0.00 C ATOM 1355 CD GLN A 89 16.664 5.324 -17.173 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.169 5.423 -18.278 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.491 6.238 -16.744 1.00 0.00 N ATOM 0 H GLN A 89 12.611 4.401 -14.952 1.00 0.00 H new ATOM 0 HA GLN A 89 15.129 3.069 -14.047 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.325 3.346 -16.487 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.385 5.083 -16.266 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.913 4.183 -15.354 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.595 3.201 -16.770 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.907 6.155 -15.816 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.722 7.036 -17.337 1.00 0.00 H new ATOM 1366 N HIS A 90 14.433 6.025 -13.141 1.00 0.00 N ATOM 1367 CA HIS A 90 15.020 7.192 -12.409 1.00 0.00 C ATOM 1368 C HIS A 90 13.929 8.028 -11.754 1.00 0.00 C ATOM 1369 O HIS A 90 14.104 8.567 -10.678 1.00 0.00 O ATOM 1370 CB HIS A 90 15.714 8.022 -13.488 1.00 0.00 C ATOM 1371 CG HIS A 90 16.965 8.639 -12.925 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.165 7.950 -12.863 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.217 9.880 -12.393 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.078 8.773 -12.313 1.00 0.00 C ATOM 1375 NE2 HIS A 90 18.551 9.962 -12.008 1.00 0.00 N ATOM 0 H HIS A 90 13.414 5.993 -13.178 1.00 0.00 H new ATOM 0 HA HIS A 90 15.697 6.868 -11.618 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.960 7.392 -14.343 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.043 8.801 -13.849 1.00 0.00 H new ATOM 0 HD2 HIS A 90 16.490 10.672 -12.289 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.110 8.505 -12.140 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.025 10.759 -11.584 1.00 0.00 H new ATOM 1383 N GLY A 91 12.812 8.155 -12.406 1.00 0.00 N ATOM 1384 CA GLY A 91 11.713 8.977 -11.839 1.00 0.00 C ATOM 1385 C GLY A 91 11.300 8.429 -10.476 1.00 0.00 C ATOM 1386 O GLY A 91 11.071 9.177 -9.546 1.00 0.00 O ATOM 0 H GLY A 91 12.612 7.724 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.037 10.013 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.859 8.973 -12.516 1.00 0.00 H new ATOM 1390 N ILE A 92 11.191 7.135 -10.345 1.00 0.00 N ATOM 1391 CA ILE A 92 10.775 6.560 -9.032 1.00 0.00 C ATOM 1392 C ILE A 92 11.594 5.314 -8.700 1.00 0.00 C ATOM 1393 O ILE A 92 11.827 4.467 -9.539 1.00 0.00 O ATOM 1394 CB ILE A 92 9.297 6.170 -9.184 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.619 7.008 -10.279 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.576 6.386 -7.853 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.485 8.466 -9.829 1.00 0.00 C ATOM 0 H ILE A 92 11.370 6.455 -11.084 1.00 0.00 H new ATOM 0 HA ILE A 92 10.930 7.281 -8.230 1.00 0.00 H new ATOM 0 HB ILE A 92 9.242 5.120 -9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.202 6.957 -11.199 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.634 6.598 -10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.527 6.110 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.039 5.767 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.648 7.435 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.003 9.047 -10.615 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.882 8.513 -8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.474 8.877 -9.629 1.00 0.00 H new ATOM 1409 N HIS A 93 12.001 5.185 -7.469 1.00 0.00 N ATOM 1410 CA HIS A 93 12.772 3.981 -7.057 1.00 0.00 C ATOM 1411 C HIS A 93 11.843 3.054 -6.275 1.00 0.00 C ATOM 1412 O HIS A 93 11.916 1.845 -6.375 1.00 0.00 O ATOM 1413 CB HIS A 93 13.895 4.508 -6.163 1.00 0.00 C ATOM 1414 CG HIS A 93 15.003 5.055 -7.018 1.00 0.00 C ATOM 1415 ND1 HIS A 93 16.323 5.072 -6.595 1.00 0.00 N ATOM 1416 CD2 HIS A 93 15.005 5.608 -8.274 1.00 0.00 C ATOM 1417 CE1 HIS A 93 17.058 5.620 -7.582 1.00 0.00 C ATOM 1418 NE2 HIS A 93 16.303 5.963 -8.628 1.00 0.00 N ATOM 0 H HIS A 93 11.832 5.865 -6.728 1.00 0.00 H new ATOM 0 HA HIS A 93 13.175 3.419 -7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.513 5.286 -5.503 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.274 3.708 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.131 5.747 -8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.127 5.764 -7.533 1.00 0.00 H new ATOM 0 HE2 HIS A 93 16.611 6.393 -9.500 1.00 0.00 H new ATOM 1426 N ASP A 94 10.956 3.631 -5.504 1.00 0.00 N ATOM 1427 CA ASP A 94 9.987 2.824 -4.703 1.00 0.00 C ATOM 1428 C ASP A 94 9.077 3.756 -3.896 1.00 0.00 C ATOM 1429 O ASP A 94 8.674 3.442 -2.792 1.00 0.00 O ATOM 1430 CB ASP A 94 10.837 1.957 -3.765 1.00 0.00 C ATOM 1431 CG ASP A 94 11.664 2.848 -2.832 1.00 0.00 C ATOM 1432 OD1 ASP A 94 12.032 3.934 -3.247 1.00 0.00 O ATOM 1433 OD2 ASP A 94 11.915 2.425 -1.715 1.00 0.00 O ATOM 0 H ASP A 94 10.861 4.641 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 94 9.346 2.210 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.193 1.302 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.498 1.316 -4.348 1.00 0.00 H new ATOM 1438 N GLY A 95 8.752 4.902 -4.436 1.00 0.00 N ATOM 1439 CA GLY A 95 7.873 5.857 -3.699 1.00 0.00 C ATOM 1440 C GLY A 95 8.586 7.203 -3.547 1.00 0.00 C ATOM 1441 O GLY A 95 9.001 7.576 -2.467 1.00 0.00 O ATOM 0 H GLY A 95 9.058 5.218 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.934 5.991 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.624 5.454 -2.717 1.00 0.00 H new ATOM 1445 N LEU A 96 8.733 7.937 -4.621 1.00 0.00 N ATOM 1446 CA LEU A 96 9.420 9.260 -4.532 1.00 0.00 C ATOM 1447 C LEU A 96 8.430 10.395 -4.813 1.00 0.00 C ATOM 1448 O LEU A 96 7.330 10.170 -5.281 1.00 0.00 O ATOM 1449 CB LEU A 96 10.506 9.215 -5.610 1.00 0.00 C ATOM 1450 CG LEU A 96 11.838 8.816 -4.975 1.00 0.00 C ATOM 1451 CD1 LEU A 96 11.767 7.362 -4.505 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.957 8.961 -6.009 1.00 0.00 C ATOM 0 H LEU A 96 8.408 7.678 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 96 9.835 9.443 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.233 8.501 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.597 10.189 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 96 12.041 9.463 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.717 7.079 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.969 7.256 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.564 6.714 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.908 8.677 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.751 8.313 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.010 9.997 -6.345 1.00 0.00 H new ATOM 1464 N THR A 97 8.812 11.612 -4.530 1.00 0.00 N ATOM 1465 CA THR A 97 7.895 12.765 -4.777 1.00 0.00 C ATOM 1466 C THR A 97 8.515 13.727 -5.796 1.00 0.00 C ATOM 1467 O THR A 97 9.717 13.889 -5.858 1.00 0.00 O ATOM 1468 CB THR A 97 7.743 13.449 -3.417 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.281 12.504 -2.464 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.738 14.596 -3.531 1.00 0.00 C ATOM 0 H THR A 97 9.721 11.859 -4.138 1.00 0.00 H new ATOM 0 HA THR A 97 6.935 12.448 -5.184 1.00 0.00 H new ATOM 0 HB THR A 97 8.707 13.845 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.185 12.940 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.630 15.083 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.094 15.320 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.772 14.203 -3.849 1.00 0.00 H new ATOM 1478 N VAL A 98 7.700 14.362 -6.597 1.00 0.00 N ATOM 1479 CA VAL A 98 8.241 15.311 -7.618 1.00 0.00 C ATOM 1480 C VAL A 98 7.291 16.504 -7.797 1.00 0.00 C ATOM 1481 O VAL A 98 6.095 16.388 -7.616 1.00 0.00 O ATOM 1482 CB VAL A 98 8.336 14.489 -8.907 1.00 0.00 C ATOM 1483 CG1 VAL A 98 6.962 13.902 -9.248 1.00 0.00 C ATOM 1484 CG2 VAL A 98 8.808 15.385 -10.057 1.00 0.00 C ATOM 0 H VAL A 98 6.685 14.266 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 98 9.207 15.726 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 98 9.050 13.678 -8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.033 13.318 -10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.629 13.259 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.245 14.711 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.875 14.797 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.097 16.199 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.788 15.797 -9.818 1.00 0.00 H new ATOM 1494 N HIS A 99 7.819 17.650 -8.150 1.00 0.00 N ATOM 1495 CA HIS A 99 6.948 18.852 -8.337 1.00 0.00 C ATOM 1496 C HIS A 99 6.470 18.948 -9.791 1.00 0.00 C ATOM 1497 O HIS A 99 7.262 19.005 -10.710 1.00 0.00 O ATOM 1498 CB HIS A 99 7.837 20.045 -7.988 1.00 0.00 C ATOM 1499 CG HIS A 99 6.978 21.251 -7.726 1.00 0.00 C ATOM 1500 ND1 HIS A 99 5.951 21.239 -6.796 1.00 0.00 N ATOM 1501 CD2 HIS A 99 6.981 22.514 -8.266 1.00 0.00 C ATOM 1502 CE1 HIS A 99 5.383 22.459 -6.804 1.00 0.00 C ATOM 1503 NE2 HIS A 99 5.972 23.274 -7.682 1.00 0.00 N ATOM 0 H HIS A 99 8.813 17.805 -8.316 1.00 0.00 H new ATOM 0 HA HIS A 99 6.055 18.810 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.441 19.818 -7.109 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.528 20.248 -8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.662 22.864 -9.027 1.00 0.00 H new ATOM 0 HE1 HIS A 99 4.552 22.744 -6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.734 24.245 -7.882 1.00 0.00 H new ATOM 1511 N LEU A 100 5.179 18.970 -10.006 1.00 0.00 N ATOM 1512 CA LEU A 100 4.653 19.061 -11.402 1.00 0.00 C ATOM 1513 C LEU A 100 4.637 20.516 -11.880 1.00 0.00 C ATOM 1514 O LEU A 100 4.476 21.435 -11.102 1.00 0.00 O ATOM 1515 CB LEU A 100 3.227 18.515 -11.325 1.00 0.00 C ATOM 1516 CG LEU A 100 2.689 18.288 -12.741 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.821 17.027 -12.766 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.848 19.495 -13.166 1.00 0.00 C ATOM 0 H LEU A 100 4.467 18.929 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 100 5.272 18.504 -12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.214 17.580 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.587 19.216 -10.789 1.00 0.00 H new ATOM 0 HG LEU A 100 3.525 18.165 -13.430 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.439 16.868 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.419 16.167 -12.465 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.985 17.147 -12.077 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.465 19.335 -14.174 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.014 19.618 -12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.466 20.392 -13.152 1.00 0.00 H new ATOM 1530 N VAL A 101 4.796 20.728 -13.162 1.00 0.00 N ATOM 1531 CA VAL A 101 4.782 22.119 -13.701 1.00 0.00 C ATOM 1532 C VAL A 101 4.688 22.090 -15.231 1.00 0.00 C ATOM 1533 O VAL A 101 5.419 21.377 -15.893 1.00 0.00 O ATOM 1534 CB VAL A 101 6.107 22.738 -13.250 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.275 21.977 -13.880 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.160 24.204 -13.688 1.00 0.00 C ATOM 0 H VAL A 101 4.935 19.996 -13.858 1.00 0.00 H new ATOM 0 HA VAL A 101 3.928 22.693 -13.342 1.00 0.00 H new ATOM 0 HB VAL A 101 6.181 22.677 -12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.216 22.422 -13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.240 20.933 -13.568 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.202 22.033 -14.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.103 24.646 -13.367 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.083 24.262 -14.774 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.332 24.749 -13.235 1.00 0.00 H new ATOM 1546 N ILE A 102 3.794 22.856 -15.795 1.00 0.00 N ATOM 1547 CA ILE A 102 3.651 22.870 -17.282 1.00 0.00 C ATOM 1548 C ILE A 102 4.471 24.018 -17.881 1.00 0.00 C ATOM 1549 O ILE A 102 4.396 25.146 -17.431 1.00 0.00 O ATOM 1550 CB ILE A 102 2.155 23.073 -17.549 1.00 0.00 C ATOM 1551 CG1 ILE A 102 1.718 24.451 -17.040 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.347 21.983 -16.834 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.764 25.454 -18.192 1.00 0.00 C ATOM 0 H ILE A 102 3.156 23.473 -15.292 1.00 0.00 H new ATOM 0 HA ILE A 102 4.015 21.949 -17.737 1.00 0.00 H new ATOM 0 HB ILE A 102 1.974 23.011 -18.622 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.709 24.397 -16.630 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.373 24.777 -16.232 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.285 22.132 -17.027 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.649 21.004 -17.205 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.532 22.038 -15.761 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.454 26.435 -17.833 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.780 25.515 -18.581 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.091 25.128 -18.985 1.00 0.00 H new