USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 619 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= 0.876 (180deg=-0.231) USER MOD Single : A 40 LYS NZ :NH3+ -119:sc= -0.0144 (180deg=-0.362) USER MOD Single : A 41 MET CE :methyl 163:sc= -4.53 (180deg=-5.85!) USER MOD Single : A 42 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.7!) USER MOD Single : A 43 HIS : no HD1:sc= -0.756 X(o=-0.76,f=-0.29) USER MOD Single : A 44 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.019) USER MOD Single : A 51 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 52 GLN : amide:sc= -0.894 K(o=-0.89,f=-5!) USER MOD Single : A 53 GLN : amide:sc=-0.000192 X(o=-0.00019,f=-0.29) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0635) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 179:sc= -0.984 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -4.718 -12.634 -15.763 1.00 0.00 N ATOM 366 CA LYS A 24 -4.011 -11.401 -16.091 1.00 0.00 C ATOM 367 C LYS A 24 -4.689 -10.195 -15.448 1.00 0.00 C ATOM 368 O LYS A 24 -4.622 -9.082 -15.970 1.00 0.00 O ATOM 369 CB LYS A 24 -3.946 -11.215 -17.608 1.00 0.00 C ATOM 370 CG LYS A 24 -2.709 -11.827 -18.245 1.00 0.00 C ATOM 371 CD LYS A 24 -3.071 -12.789 -19.367 1.00 0.00 C ATOM 372 CE LYS A 24 -2.171 -12.598 -20.578 1.00 0.00 C ATOM 373 NZ LYS A 24 -2.060 -13.842 -21.389 1.00 0.00 N ATOM 0 HA LYS A 24 -2.998 -11.477 -15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.834 -11.659 -18.058 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.972 -10.149 -17.836 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.071 -11.034 -18.637 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.132 -12.354 -17.486 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.988 -13.815 -19.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.110 -12.636 -19.657 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.564 -11.793 -21.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.179 -12.290 -20.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.438 -13.670 -22.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.661 -14.603 -20.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.003 -14.122 -21.726 1.00 0.00 H new ATOM 387 N HIS A 25 -5.343 -10.425 -14.314 1.00 0.00 N ATOM 388 CA HIS A 25 -6.035 -9.356 -13.601 1.00 0.00 C ATOM 389 C HIS A 25 -5.338 -9.035 -12.282 1.00 0.00 C ATOM 390 O HIS A 25 -5.409 -7.908 -11.792 1.00 0.00 O ATOM 391 CB HIS A 25 -7.489 -9.751 -13.339 1.00 0.00 C ATOM 392 CG HIS A 25 -8.407 -8.580 -13.174 1.00 0.00 C ATOM 393 ND1 HIS A 25 -8.951 -8.214 -11.960 1.00 0.00 N ATOM 394 CD2 HIS A 25 -8.879 -7.689 -14.079 1.00 0.00 C ATOM 395 CE1 HIS A 25 -9.716 -7.149 -12.126 1.00 0.00 C ATOM 396 NE2 HIS A 25 -9.689 -6.811 -13.402 1.00 0.00 N ATOM 0 H HIS A 25 -5.409 -11.341 -13.869 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.012 -8.464 -14.227 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.844 -10.367 -14.165 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.533 -10.366 -12.441 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.659 -7.672 -15.136 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.269 -6.641 -11.350 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.189 -6.025 -13.818 1.00 0.00 H new ATOM 405 N GLU A 26 -4.667 -10.030 -11.712 1.00 0.00 N ATOM 406 CA GLU A 26 -3.960 -9.851 -10.448 1.00 0.00 C ATOM 407 C GLU A 26 -2.939 -8.721 -10.545 1.00 0.00 C ATOM 408 O GLU A 26 -2.756 -7.954 -9.599 1.00 0.00 O ATOM 409 CB GLU A 26 -3.264 -11.152 -10.040 1.00 0.00 C ATOM 410 CG GLU A 26 -4.002 -11.921 -8.956 1.00 0.00 C ATOM 411 CD GLU A 26 -3.810 -13.421 -9.072 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.589 -14.064 -9.807 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.881 -13.951 -8.427 1.00 0.00 O ATOM 0 H GLU A 26 -4.598 -10.969 -12.105 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.694 -9.585 -9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.158 -11.789 -10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.258 -10.922 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.654 -11.588 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.066 -11.689 -9.011 1.00 0.00 H new ATOM 420 N ILE A 27 -2.276 -8.622 -11.693 1.00 0.00 N ATOM 421 CA ILE A 27 -1.276 -7.585 -11.908 1.00 0.00 C ATOM 422 C ILE A 27 -1.933 -6.236 -12.185 1.00 0.00 C ATOM 423 O ILE A 27 -1.405 -5.188 -11.814 1.00 0.00 O ATOM 424 CB ILE A 27 -0.338 -7.936 -13.078 1.00 0.00 C ATOM 425 CG1 ILE A 27 0.190 -9.364 -12.929 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.815 -6.947 -13.148 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.676 -9.968 -14.228 1.00 0.00 C ATOM 0 H ILE A 27 -2.414 -9.247 -12.487 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.689 -7.521 -10.992 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.904 -7.873 -14.007 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.008 -9.367 -12.208 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.599 -9.993 -12.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.469 -7.209 -13.980 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.423 -5.941 -13.297 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.381 -6.981 -12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.036 -10.981 -14.046 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.145 -9.998 -14.945 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.487 -9.361 -14.630 1.00 0.00 H new ATOM 439 N GLU A 28 -3.089 -6.271 -12.839 1.00 0.00 N ATOM 440 CA GLU A 28 -3.820 -5.052 -13.165 1.00 0.00 C ATOM 441 C GLU A 28 -4.389 -4.408 -11.905 1.00 0.00 C ATOM 442 O GLU A 28 -4.228 -3.209 -11.680 1.00 0.00 O ATOM 443 CB GLU A 28 -4.949 -5.357 -14.151 1.00 0.00 C ATOM 444 CG GLU A 28 -5.384 -4.152 -14.971 1.00 0.00 C ATOM 445 CD GLU A 28 -6.686 -4.391 -15.710 1.00 0.00 C ATOM 446 OE1 GLU A 28 -7.621 -4.951 -15.101 1.00 0.00 O ATOM 447 OE2 GLU A 28 -6.770 -4.017 -16.899 1.00 0.00 O ATOM 0 H GLU A 28 -3.540 -7.130 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.124 -4.352 -13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.626 -6.148 -14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.808 -5.740 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.497 -3.290 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.603 -3.904 -15.689 1.00 0.00 H new ATOM 454 N ALA A 29 -5.055 -5.216 -11.084 1.00 0.00 N ATOM 455 CA ALA A 29 -5.646 -4.728 -9.846 1.00 0.00 C ATOM 456 C ALA A 29 -4.574 -4.215 -8.892 1.00 0.00 C ATOM 457 O ALA A 29 -4.806 -3.283 -8.122 1.00 0.00 O ATOM 458 CB ALA A 29 -6.463 -5.827 -9.183 1.00 0.00 C ATOM 0 H ALA A 29 -5.198 -6.211 -11.256 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.307 -3.896 -10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.899 -5.449 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.259 -6.145 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.817 -6.676 -8.959 1.00 0.00 H new ATOM 464 N ALA A 30 -3.397 -4.831 -8.948 1.00 0.00 N ATOM 465 CA ALA A 30 -2.286 -4.437 -8.090 1.00 0.00 C ATOM 466 C ALA A 30 -1.830 -3.017 -8.399 1.00 0.00 C ATOM 467 O ALA A 30 -1.619 -2.210 -7.494 1.00 0.00 O ATOM 468 CB ALA A 30 -1.129 -5.413 -8.246 1.00 0.00 C ATOM 0 H ALA A 30 -3.189 -5.605 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.630 -4.461 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.306 -5.108 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.457 -6.414 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.794 -5.417 -9.283 1.00 0.00 H new ATOM 474 N ILE A 31 -1.680 -2.715 -9.685 1.00 0.00 N ATOM 475 CA ILE A 31 -1.249 -1.390 -10.113 1.00 0.00 C ATOM 476 C ILE A 31 -2.228 -0.319 -9.644 1.00 0.00 C ATOM 477 O ILE A 31 -1.834 0.808 -9.346 1.00 0.00 O ATOM 478 CB ILE A 31 -1.110 -1.311 -11.647 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.190 -2.423 -12.155 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.579 0.053 -12.065 1.00 0.00 C ATOM 481 CD1 ILE A 31 -0.526 -2.893 -13.554 1.00 0.00 C ATOM 0 H ILE A 31 -1.851 -3.370 -10.448 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.274 -1.211 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.096 -1.446 -12.092 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.840 -2.068 -12.137 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.247 -3.271 -11.472 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.487 0.091 -13.150 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.268 0.829 -11.732 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.399 0.217 -11.612 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.166 -3.682 -13.849 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.545 -3.279 -13.573 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.441 -2.057 -14.249 1.00 0.00 H new ATOM 493 N VAL A 32 -3.505 -0.679 -9.578 1.00 0.00 N ATOM 494 CA VAL A 32 -4.539 0.252 -9.144 1.00 0.00 C ATOM 495 C VAL A 32 -4.512 0.437 -7.629 1.00 0.00 C ATOM 496 O VAL A 32 -4.879 1.495 -7.118 1.00 0.00 O ATOM 497 CB VAL A 32 -5.941 -0.229 -9.565 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.980 0.848 -9.291 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.950 -0.628 -11.032 1.00 0.00 C ATOM 0 H VAL A 32 -3.848 -1.609 -9.819 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.329 1.206 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.197 -1.107 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.964 0.490 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.991 1.080 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.730 1.746 -9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.948 -0.965 -11.311 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.672 0.230 -11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.236 -1.436 -11.194 1.00 0.00 H new ATOM 509 N ARG A 33 -4.078 -0.598 -6.918 1.00 0.00 N ATOM 510 CA ARG A 33 -4.006 -0.549 -5.462 1.00 0.00 C ATOM 511 C ARG A 33 -2.775 0.226 -5.000 1.00 0.00 C ATOM 512 O ARG A 33 -2.804 0.897 -3.968 1.00 0.00 O ATOM 513 CB ARG A 33 -3.976 -1.965 -4.885 1.00 0.00 C ATOM 514 CG ARG A 33 -4.580 -2.068 -3.493 1.00 0.00 C ATOM 515 CD ARG A 33 -5.558 -3.229 -3.390 1.00 0.00 C ATOM 516 NE ARG A 33 -4.876 -4.501 -3.164 1.00 0.00 N ATOM 517 CZ ARG A 33 -5.486 -5.603 -2.733 1.00 0.00 C ATOM 518 NH1 ARG A 33 -6.789 -5.592 -2.480 1.00 0.00 N ATOM 519 NH2 ARG A 33 -4.792 -6.718 -2.555 1.00 0.00 N ATOM 0 H ARG A 33 -3.771 -1.481 -7.326 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.894 -0.033 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.515 -2.633 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.943 -2.313 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.784 -2.196 -2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.092 -1.137 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.257 -3.043 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.146 -3.290 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.874 -4.548 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.328 -4.737 -2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.252 -6.439 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.791 -6.732 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.259 -7.562 -2.225 1.00 0.00 H new ATOM 533 N ILE A 34 -1.695 0.128 -5.768 1.00 0.00 N ATOM 534 CA ILE A 34 -0.456 0.819 -5.434 1.00 0.00 C ATOM 535 C ILE A 34 -0.544 2.304 -5.771 1.00 0.00 C ATOM 536 O ILE A 34 -0.146 3.155 -4.975 1.00 0.00 O ATOM 537 CB ILE A 34 0.749 0.204 -6.175 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.802 -1.307 -5.941 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.045 0.858 -5.721 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.483 -2.068 -7.057 1.00 0.00 C ATOM 0 H ILE A 34 -1.653 -0.423 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.310 0.703 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 34 0.628 0.386 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.326 -1.503 -5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.214 -1.684 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.884 0.411 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.007 1.926 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.174 0.705 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.484 -3.133 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.946 -1.902 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.510 -1.719 -7.162 1.00 0.00 H new ATOM 552 N MET A 35 -1.066 2.611 -6.954 1.00 0.00 N ATOM 553 CA MET A 35 -1.204 3.996 -7.392 1.00 0.00 C ATOM 554 C MET A 35 -2.188 4.755 -6.507 1.00 0.00 C ATOM 555 O MET A 35 -2.069 5.967 -6.329 1.00 0.00 O ATOM 556 CB MET A 35 -1.666 4.049 -8.850 1.00 0.00 C ATOM 557 CG MET A 35 -0.614 3.589 -9.849 1.00 0.00 C ATOM 558 SD MET A 35 0.977 4.402 -9.618 1.00 0.00 S ATOM 559 CE MET A 35 0.959 5.530 -11.003 1.00 0.00 C ATOM 0 H MET A 35 -1.400 1.920 -7.626 1.00 0.00 H new ATOM 0 HA MET A 35 -0.228 4.474 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.555 3.428 -8.962 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.959 5.071 -9.091 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.482 2.511 -9.759 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.972 3.783 -10.860 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.879 6.114 -11.008 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.883 4.965 -11.932 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.104 6.200 -10.915 1.00 0.00 H new ATOM 569 N LYS A 36 -3.161 4.036 -5.956 1.00 0.00 N ATOM 570 CA LYS A 36 -4.165 4.648 -5.092 1.00 0.00 C ATOM 571 C LYS A 36 -3.518 5.285 -3.865 1.00 0.00 C ATOM 572 O LYS A 36 -4.004 6.291 -3.348 1.00 0.00 O ATOM 573 CB LYS A 36 -5.197 3.604 -4.655 1.00 0.00 C ATOM 574 CG LYS A 36 -6.635 4.076 -4.794 1.00 0.00 C ATOM 575 CD LYS A 36 -7.614 2.916 -4.699 1.00 0.00 C ATOM 576 CE LYS A 36 -9.042 3.406 -4.526 1.00 0.00 C ATOM 577 NZ LYS A 36 -9.786 3.415 -5.817 1.00 0.00 N ATOM 0 H LYS A 36 -3.276 3.032 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.667 5.431 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.061 2.700 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.011 3.334 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.857 4.805 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.762 4.583 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.544 2.305 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.343 2.277 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.561 2.767 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.032 4.412 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.756 3.755 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.305 4.045 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.817 2.451 -6.206 1.00 0.00 H new ATOM 591 N SER A 37 -2.421 4.694 -3.404 1.00 0.00 N ATOM 592 CA SER A 37 -1.710 5.206 -2.238 1.00 0.00 C ATOM 593 C SER A 37 -0.417 5.904 -2.647 1.00 0.00 C ATOM 594 O SER A 37 -0.093 6.978 -2.140 1.00 0.00 O ATOM 595 CB SER A 37 -1.402 4.068 -1.263 1.00 0.00 C ATOM 596 OG SER A 37 -2.584 3.589 -0.646 1.00 0.00 O ATOM 0 H SER A 37 -2.005 3.861 -3.820 1.00 0.00 H new ATOM 0 HA SER A 37 -2.353 5.936 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.910 3.253 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.706 4.417 -0.500 1.00 0.00 H new ATOM 0 HG SER A 37 -2.359 2.861 -0.029 1.00 0.00 H new ATOM 602 N ARG A 38 0.318 5.287 -3.567 1.00 0.00 N ATOM 603 CA ARG A 38 1.576 5.849 -4.044 1.00 0.00 C ATOM 604 C ARG A 38 1.330 7.055 -4.947 1.00 0.00 C ATOM 605 O ARG A 38 2.174 7.946 -5.049 1.00 0.00 O ATOM 606 CB ARG A 38 2.378 4.789 -4.800 1.00 0.00 C ATOM 607 CG ARG A 38 3.008 3.741 -3.893 1.00 0.00 C ATOM 608 CD ARG A 38 4.520 3.889 -3.835 1.00 0.00 C ATOM 609 NE ARG A 38 5.178 2.637 -3.469 1.00 0.00 N ATOM 610 CZ ARG A 38 6.435 2.559 -3.039 1.00 0.00 C ATOM 611 NH1 ARG A 38 7.173 3.656 -2.920 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.957 1.380 -2.727 1.00 0.00 N ATOM 0 H ARG A 38 0.064 4.398 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 38 2.147 6.179 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.723 4.292 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.164 5.280 -5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.594 3.831 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.753 2.745 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.889 4.223 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.781 4.661 -3.111 1.00 0.00 H new ATOM 0 HE ARG A 38 4.643 1.772 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.777 4.565 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.136 3.590 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.395 0.534 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.920 1.320 -2.397 1.00 0.00 H new ATOM 626 N LYS A 39 0.170 7.077 -5.598 1.00 0.00 N ATOM 627 CA LYS A 39 -0.188 8.172 -6.493 1.00 0.00 C ATOM 628 C LYS A 39 0.769 8.241 -7.680 1.00 0.00 C ATOM 629 O LYS A 39 0.449 7.778 -8.775 1.00 0.00 O ATOM 630 CB LYS A 39 -0.185 9.504 -5.737 1.00 0.00 C ATOM 631 CG LYS A 39 -1.522 9.842 -5.097 1.00 0.00 C ATOM 632 CD LYS A 39 -1.877 8.856 -3.996 1.00 0.00 C ATOM 633 CE LYS A 39 -2.490 9.557 -2.796 1.00 0.00 C ATOM 634 NZ LYS A 39 -2.311 8.774 -1.542 1.00 0.00 N ATOM 0 H LYS A 39 -0.539 6.347 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.193 7.983 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.581 9.471 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.091 10.303 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.485 10.851 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.303 9.836 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.577 8.115 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.981 8.318 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.034 10.540 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.553 9.718 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.086 9.420 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.189 8.260 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.533 8.095 -1.665 1.00 0.00 H new ATOM 648 N LYS A 40 1.945 8.821 -7.456 1.00 0.00 N ATOM 649 CA LYS A 40 2.947 8.946 -8.508 1.00 0.00 C ATOM 650 C LYS A 40 4.002 7.853 -8.385 1.00 0.00 C ATOM 651 O LYS A 40 4.598 7.668 -7.324 1.00 0.00 O ATOM 652 CB LYS A 40 3.612 10.322 -8.447 1.00 0.00 C ATOM 653 CG LYS A 40 4.603 10.568 -9.573 1.00 0.00 C ATOM 654 CD LYS A 40 5.387 11.852 -9.354 1.00 0.00 C ATOM 655 CE LYS A 40 4.762 13.018 -10.101 1.00 0.00 C ATOM 656 NZ LYS A 40 3.641 13.631 -9.336 1.00 0.00 N ATOM 0 H LYS A 40 2.226 9.211 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 40 2.445 8.836 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.840 11.091 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.127 10.426 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.293 9.727 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.070 10.623 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.425 12.079 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.415 11.713 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.523 13.773 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.396 12.675 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.761 13.551 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.529 13.136 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.849 14.635 -9.160 1.00 0.00 H new ATOM 670 N MET A 41 4.227 7.128 -9.477 1.00 0.00 N ATOM 671 CA MET A 41 5.210 6.051 -9.488 1.00 0.00 C ATOM 672 C MET A 41 6.005 6.053 -10.788 1.00 0.00 C ATOM 673 O MET A 41 5.525 6.518 -11.822 1.00 0.00 O ATOM 674 CB MET A 41 4.516 4.700 -9.300 1.00 0.00 C ATOM 675 CG MET A 41 5.241 3.773 -8.339 1.00 0.00 C ATOM 676 SD MET A 41 4.145 2.547 -7.599 1.00 0.00 S ATOM 677 CE MET A 41 5.316 1.571 -6.659 1.00 0.00 C ATOM 0 H MET A 41 3.743 7.267 -10.364 1.00 0.00 H new ATOM 0 HA MET A 41 5.902 6.214 -8.662 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.503 4.869 -8.934 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.427 4.208 -10.269 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.045 3.263 -8.869 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.704 4.364 -7.549 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.782 0.975 -5.919 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.862 0.910 -7.332 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.018 2.233 -6.153 1.00 0.00 H new ATOM 687 N GLN A 42 7.225 5.527 -10.729 1.00 0.00 N ATOM 688 CA GLN A 42 8.089 5.465 -11.902 1.00 0.00 C ATOM 689 C GLN A 42 7.801 4.210 -12.720 1.00 0.00 C ATOM 690 O GLN A 42 7.008 3.361 -12.315 1.00 0.00 O ATOM 691 CB GLN A 42 9.560 5.492 -11.479 1.00 0.00 C ATOM 692 CG GLN A 42 10.419 6.419 -12.324 1.00 0.00 C ATOM 693 CD GLN A 42 11.689 5.752 -12.815 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.160 4.779 -12.228 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.252 6.276 -13.899 1.00 0.00 N ATOM 0 H GLN A 42 7.637 5.138 -9.881 1.00 0.00 H new ATOM 0 HA GLN A 42 7.884 6.336 -12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.624 5.801 -10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.965 4.482 -11.537 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.840 6.764 -13.181 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.679 7.301 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.827 7.084 -14.355 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.109 5.870 -14.275 1.00 0.00 H new ATOM 704 N HIS A 43 8.451 4.101 -13.874 1.00 0.00 N ATOM 705 CA HIS A 43 8.263 2.950 -14.750 1.00 0.00 C ATOM 706 C HIS A 43 8.874 1.693 -14.137 1.00 0.00 C ATOM 707 O HIS A 43 8.266 0.622 -14.159 1.00 0.00 O ATOM 708 CB HIS A 43 8.886 3.218 -16.121 1.00 0.00 C ATOM 709 CG HIS A 43 8.394 2.296 -17.193 1.00 0.00 C ATOM 710 ND1 HIS A 43 7.363 1.400 -17.001 1.00 0.00 N ATOM 711 CD2 HIS A 43 8.794 2.135 -18.477 1.00 0.00 C ATOM 712 CE1 HIS A 43 7.153 0.727 -18.117 1.00 0.00 C ATOM 713 NE2 HIS A 43 8.007 1.155 -19.028 1.00 0.00 N ATOM 0 H HIS A 43 9.112 4.795 -14.224 1.00 0.00 H new ATOM 0 HA HIS A 43 7.192 2.789 -14.871 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.674 4.247 -16.412 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.969 3.126 -16.043 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.585 2.677 -18.974 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.409 -0.043 -18.260 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.072 0.813 -19.987 1.00 0.00 H new ATOM 722 N ASN A 44 10.078 1.830 -13.593 1.00 0.00 N ATOM 723 CA ASN A 44 10.770 0.705 -12.976 1.00 0.00 C ATOM 724 C ASN A 44 10.210 0.414 -11.587 1.00 0.00 C ATOM 725 O ASN A 44 10.108 -0.743 -11.179 1.00 0.00 O ATOM 726 CB ASN A 44 12.271 0.991 -12.885 1.00 0.00 C ATOM 727 CG ASN A 44 13.112 -0.210 -13.270 1.00 0.00 C ATOM 728 OD1 ASN A 44 13.941 -0.678 -12.490 1.00 0.00 O ATOM 729 ND2 ASN A 44 12.903 -0.717 -14.480 1.00 0.00 N ATOM 0 H ASN A 44 10.595 2.709 -13.567 1.00 0.00 H new ATOM 0 HA ASN A 44 10.611 -0.173 -13.601 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.519 1.829 -13.537 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.519 1.294 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.440 -1.525 -14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.206 -0.298 -15.095 1.00 0.00 H new ATOM 736 N VAL A 45 9.847 1.470 -10.866 1.00 0.00 N ATOM 737 CA VAL A 45 9.295 1.325 -9.525 1.00 0.00 C ATOM 738 C VAL A 45 7.987 0.540 -9.556 1.00 0.00 C ATOM 739 O VAL A 45 7.752 -0.329 -8.716 1.00 0.00 O ATOM 740 CB VAL A 45 9.047 2.696 -8.863 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.569 2.524 -7.429 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.307 3.547 -8.913 1.00 0.00 C ATOM 0 H VAL A 45 9.925 2.435 -11.188 1.00 0.00 H new ATOM 0 HA VAL A 45 10.032 0.779 -8.936 1.00 0.00 H new ATOM 0 HB VAL A 45 8.264 3.210 -9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.400 3.504 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.638 1.957 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.325 1.988 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.114 4.511 -8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.111 3.038 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.600 3.703 -9.951 1.00 0.00 H new ATOM 752 N LEU A 46 7.140 0.852 -10.532 1.00 0.00 N ATOM 753 CA LEU A 46 5.858 0.174 -10.674 1.00 0.00 C ATOM 754 C LEU A 46 6.060 -1.290 -11.053 1.00 0.00 C ATOM 755 O LEU A 46 5.355 -2.171 -10.565 1.00 0.00 O ATOM 756 CB LEU A 46 5.001 0.875 -11.730 1.00 0.00 C ATOM 757 CG LEU A 46 3.564 0.361 -11.844 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.714 0.897 -10.702 1.00 0.00 C ATOM 759 CD2 LEU A 46 2.964 0.753 -13.186 1.00 0.00 C ATOM 0 H LEU A 46 7.319 1.569 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 46 5.342 0.215 -9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.972 1.941 -11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.487 0.768 -12.700 1.00 0.00 H new ATOM 0 HG LEU A 46 3.580 -0.727 -11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.695 0.521 -10.799 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.133 0.568 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.704 1.986 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.942 0.380 -13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.960 1.839 -13.280 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.559 0.322 -13.991 1.00 0.00 H new ATOM 771 N VAL A 47 7.032 -1.539 -11.925 1.00 0.00 N ATOM 772 CA VAL A 47 7.332 -2.897 -12.368 1.00 0.00 C ATOM 773 C VAL A 47 8.005 -3.702 -11.260 1.00 0.00 C ATOM 774 O VAL A 47 7.875 -4.924 -11.203 1.00 0.00 O ATOM 775 CB VAL A 47 8.244 -2.891 -13.613 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.519 -4.310 -14.086 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.625 -2.062 -14.728 1.00 0.00 C ATOM 0 H VAL A 47 7.625 -0.819 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 47 6.381 -3.365 -12.624 1.00 0.00 H new ATOM 0 HB VAL A 47 9.195 -2.435 -13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.164 -4.282 -14.964 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.013 -4.869 -13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.578 -4.797 -14.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.284 -2.071 -15.596 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.658 -2.484 -15.002 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.489 -1.036 -14.386 1.00 0.00 H new ATOM 787 N ALA A 48 8.727 -3.009 -10.385 1.00 0.00 N ATOM 788 CA ALA A 48 9.422 -3.662 -9.282 1.00 0.00 C ATOM 789 C ALA A 48 8.464 -4.013 -8.149 1.00 0.00 C ATOM 790 O ALA A 48 8.415 -5.156 -7.695 1.00 0.00 O ATOM 791 CB ALA A 48 10.543 -2.771 -8.768 1.00 0.00 C ATOM 0 H ALA A 48 8.846 -1.996 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 48 9.848 -4.592 -9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.055 -3.269 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.252 -2.578 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.126 -1.827 -8.418 1.00 0.00 H new ATOM 797 N GLU A 49 7.709 -3.020 -7.691 1.00 0.00 N ATOM 798 CA GLU A 49 6.757 -3.220 -6.605 1.00 0.00 C ATOM 799 C GLU A 49 5.742 -4.307 -6.948 1.00 0.00 C ATOM 800 O GLU A 49 5.549 -5.251 -6.183 1.00 0.00 O ATOM 801 CB GLU A 49 6.032 -1.909 -6.290 1.00 0.00 C ATOM 802 CG GLU A 49 6.679 -1.113 -5.167 1.00 0.00 C ATOM 803 CD GLU A 49 8.156 -0.869 -5.402 1.00 0.00 C ATOM 804 OE1 GLU A 49 8.901 -1.856 -5.573 1.00 0.00 O ATOM 805 OE2 GLU A 49 8.569 0.310 -5.412 1.00 0.00 O ATOM 0 H GLU A 49 7.738 -2.068 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 49 7.315 -3.544 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.002 -1.294 -7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.999 -2.130 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.168 -0.156 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.548 -1.647 -4.226 1.00 0.00 H new ATOM 812 N VAL A 50 5.093 -4.168 -8.100 1.00 0.00 N ATOM 813 CA VAL A 50 4.095 -5.138 -8.537 1.00 0.00 C ATOM 814 C VAL A 50 4.692 -6.540 -8.639 1.00 0.00 C ATOM 815 O VAL A 50 4.167 -7.491 -8.060 1.00 0.00 O ATOM 816 CB VAL A 50 3.487 -4.750 -9.900 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.372 -5.710 -10.284 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.976 -3.317 -9.869 1.00 0.00 C ATOM 0 H VAL A 50 5.240 -3.394 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 50 3.307 -5.136 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 50 4.269 -4.818 -10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.957 -5.418 -11.249 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.771 -6.722 -10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.588 -5.679 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.551 -3.061 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.210 -3.221 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.801 -2.641 -9.645 1.00 0.00 H new ATOM 828 N THR A 51 5.785 -6.661 -9.382 1.00 0.00 N ATOM 829 CA THR A 51 6.449 -7.947 -9.565 1.00 0.00 C ATOM 830 C THR A 51 6.895 -8.532 -8.228 1.00 0.00 C ATOM 831 O THR A 51 6.731 -9.725 -7.976 1.00 0.00 O ATOM 832 CB THR A 51 7.652 -7.795 -10.497 1.00 0.00 C ATOM 833 OG1 THR A 51 7.253 -7.264 -11.748 1.00 0.00 O ATOM 834 CG2 THR A 51 8.375 -9.099 -10.762 1.00 0.00 C ATOM 0 H THR A 51 6.231 -5.884 -9.869 1.00 0.00 H new ATOM 0 HA THR A 51 5.732 -8.634 -10.016 1.00 0.00 H new ATOM 0 HB THR A 51 8.333 -7.120 -9.979 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.202 -6.287 -11.687 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.217 -8.919 -11.430 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.740 -9.510 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.689 -9.808 -11.226 1.00 0.00 H new ATOM 842 N GLN A 52 7.465 -7.686 -7.376 1.00 0.00 N ATOM 843 CA GLN A 52 7.941 -8.123 -6.067 1.00 0.00 C ATOM 844 C GLN A 52 6.778 -8.390 -5.116 1.00 0.00 C ATOM 845 O GLN A 52 6.880 -9.222 -4.215 1.00 0.00 O ATOM 846 CB GLN A 52 8.875 -7.071 -5.464 1.00 0.00 C ATOM 847 CG GLN A 52 10.288 -7.123 -6.019 1.00 0.00 C ATOM 848 CD GLN A 52 11.070 -8.319 -5.511 1.00 0.00 C ATOM 849 OE1 GLN A 52 10.505 -9.382 -5.257 1.00 0.00 O ATOM 850 NE2 GLN A 52 12.378 -8.149 -5.360 1.00 0.00 N ATOM 0 H GLN A 52 7.609 -6.695 -7.568 1.00 0.00 H new ATOM 0 HA GLN A 52 8.490 -9.055 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.458 -6.080 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.913 -7.207 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.246 -7.157 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.815 -6.208 -5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.805 -7.250 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.956 -8.918 -5.021 1.00 0.00 H new ATOM 859 N GLN A 53 5.674 -7.678 -5.319 1.00 0.00 N ATOM 860 CA GLN A 53 4.497 -7.839 -4.473 1.00 0.00 C ATOM 861 C GLN A 53 3.679 -9.056 -4.894 1.00 0.00 C ATOM 862 O GLN A 53 3.101 -9.747 -4.055 1.00 0.00 O ATOM 863 CB GLN A 53 3.625 -6.582 -4.531 1.00 0.00 C ATOM 864 CG GLN A 53 4.089 -5.477 -3.596 1.00 0.00 C ATOM 865 CD GLN A 53 3.010 -4.445 -3.333 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.873 -4.787 -3.010 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.363 -3.172 -3.471 1.00 0.00 N ATOM 0 H GLN A 53 5.570 -6.985 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 53 4.839 -7.992 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.616 -6.202 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.598 -6.850 -4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.405 -5.916 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.961 -4.984 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.317 -2.934 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.680 -2.433 -3.307 1.00 0.00 H new ATOM 876 N LEU A 54 3.630 -9.312 -6.197 1.00 0.00 N ATOM 877 CA LEU A 54 2.878 -10.444 -6.724 1.00 0.00 C ATOM 878 C LEU A 54 3.809 -11.593 -7.099 1.00 0.00 C ATOM 879 O LEU A 54 3.616 -12.254 -8.120 1.00 0.00 O ATOM 880 CB LEU A 54 2.059 -10.014 -7.942 1.00 0.00 C ATOM 881 CG LEU A 54 1.044 -8.901 -7.677 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.718 -8.158 -8.963 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.221 -9.473 -7.054 1.00 0.00 C ATOM 0 H LEU A 54 4.102 -8.751 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 54 2.201 -10.793 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.743 -9.683 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.529 -10.884 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 54 1.484 -8.193 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.006 -7.370 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.628 -7.717 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.297 -8.854 -9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.933 -8.668 -6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.663 -10.202 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.026 -9.959 -6.110 1.00 0.00 H new ATOM 895 N LYS A 55 4.815 -11.830 -6.264 1.00 0.00 N ATOM 896 CA LYS A 55 5.772 -12.904 -6.508 1.00 0.00 C ATOM 897 C LYS A 55 5.540 -14.067 -5.548 1.00 0.00 C ATOM 898 O LYS A 55 6.472 -14.789 -5.194 1.00 0.00 O ATOM 899 CB LYS A 55 7.204 -12.381 -6.364 1.00 0.00 C ATOM 900 CG LYS A 55 8.026 -12.505 -7.636 1.00 0.00 C ATOM 901 CD LYS A 55 9.478 -12.837 -7.331 1.00 0.00 C ATOM 902 CE LYS A 55 10.284 -13.029 -8.605 1.00 0.00 C ATOM 903 NZ LYS A 55 11.692 -13.422 -8.318 1.00 0.00 N ATOM 0 H LYS A 55 4.989 -11.294 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 55 5.627 -13.265 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.171 -11.334 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.703 -12.927 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.600 -13.281 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.975 -11.571 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.919 -12.036 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.526 -13.744 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.812 -13.794 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.276 -12.105 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.208 -13.543 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.151 -12.680 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.702 -14.317 -7.789 1.00 0.00 H new ATOM 917 N ALA A 56 4.290 -14.244 -5.132 1.00 0.00 N ATOM 918 CA ALA A 56 3.933 -15.319 -4.215 1.00 0.00 C ATOM 919 C ALA A 56 2.818 -16.183 -4.795 1.00 0.00 C ATOM 920 O ALA A 56 2.873 -17.412 -4.730 1.00 0.00 O ATOM 921 CB ALA A 56 3.515 -14.748 -2.868 1.00 0.00 C ATOM 0 H ALA A 56 3.507 -13.656 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 56 4.811 -15.949 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.251 -15.563 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.341 -14.178 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.653 -14.094 -3.002 1.00 0.00 H new ATOM 927 N ARG A 57 1.808 -15.533 -5.363 1.00 0.00 N ATOM 928 CA ARG A 57 0.680 -16.241 -5.958 1.00 0.00 C ATOM 929 C ARG A 57 1.099 -16.944 -7.244 1.00 0.00 C ATOM 930 O ARG A 57 0.569 -18.000 -7.588 1.00 0.00 O ATOM 931 CB ARG A 57 -0.464 -15.268 -6.245 1.00 0.00 C ATOM 932 CG ARG A 57 -1.325 -14.964 -5.030 1.00 0.00 C ATOM 933 CD ARG A 57 -2.237 -13.773 -5.278 1.00 0.00 C ATOM 934 NE ARG A 57 -2.958 -13.376 -4.070 1.00 0.00 N ATOM 935 CZ ARG A 57 -4.049 -13.993 -3.621 1.00 0.00 C ATOM 936 NH1 ARG A 57 -4.547 -15.036 -4.275 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.643 -13.565 -2.516 1.00 0.00 N ATOM 0 H ARG A 57 1.747 -14.517 -5.424 1.00 0.00 H new ATOM 0 HA ARG A 57 0.338 -16.994 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.049 -14.336 -6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.094 -15.683 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.926 -15.838 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.685 -14.761 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.645 -12.932 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.952 -14.021 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.605 -12.579 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.093 -15.368 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.383 -15.505 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.264 -12.764 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.479 -14.037 -2.171 1.00 0.00 H new ATOM 951 N PHE A 58 2.052 -16.348 -7.953 1.00 0.00 N ATOM 952 CA PHE A 58 2.543 -16.915 -9.204 1.00 0.00 C ATOM 953 C PHE A 58 3.837 -16.231 -9.638 1.00 0.00 C ATOM 954 O PHE A 58 4.451 -15.498 -8.863 1.00 0.00 O ATOM 955 CB PHE A 58 1.480 -16.777 -10.298 1.00 0.00 C ATOM 956 CG PHE A 58 1.187 -15.353 -10.679 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.598 -14.487 -9.771 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.501 -14.881 -11.944 1.00 0.00 C ATOM 959 CE1 PHE A 58 0.328 -13.176 -10.118 1.00 0.00 C ATOM 960 CE2 PHE A 58 1.232 -13.572 -12.296 1.00 0.00 C ATOM 961 CZ PHE A 58 0.645 -12.719 -11.382 1.00 0.00 C ATOM 0 H PHE A 58 2.500 -15.472 -7.683 1.00 0.00 H new ATOM 0 HA PHE A 58 2.752 -17.973 -9.043 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.810 -17.320 -11.184 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.558 -17.250 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.347 -14.840 -8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.961 -15.544 -12.662 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.130 -12.510 -9.401 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.481 -13.216 -13.285 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.434 -11.696 -11.656 1.00 0.00 H new ATOM 971 N LEU A 59 4.247 -16.477 -10.878 1.00 0.00 N ATOM 972 CA LEU A 59 5.469 -15.884 -11.411 1.00 0.00 C ATOM 973 C LEU A 59 5.154 -14.638 -12.238 1.00 0.00 C ATOM 974 O LEU A 59 4.772 -14.742 -13.403 1.00 0.00 O ATOM 975 CB LEU A 59 6.221 -16.903 -12.271 1.00 0.00 C ATOM 976 CG LEU A 59 7.160 -17.833 -11.505 1.00 0.00 C ATOM 977 CD1 LEU A 59 8.370 -17.063 -11.008 1.00 0.00 C ATOM 978 CD2 LEU A 59 6.430 -18.495 -10.345 1.00 0.00 C ATOM 0 H LEU A 59 3.752 -17.082 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 59 6.098 -15.591 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.492 -17.510 -12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.801 -16.364 -13.021 1.00 0.00 H new ATOM 0 HG LEU A 59 7.502 -18.616 -12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.032 -17.737 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.904 -16.637 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.044 -16.261 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.116 -19.153 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.059 -17.729 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.592 -19.077 -10.727 1.00 0.00 H new ATOM 990 N PRO A 60 5.309 -13.439 -11.647 1.00 0.00 N ATOM 991 CA PRO A 60 5.035 -12.177 -12.344 1.00 0.00 C ATOM 992 C PRO A 60 6.041 -11.898 -13.456 1.00 0.00 C ATOM 993 O PRO A 60 7.142 -12.446 -13.464 1.00 0.00 O ATOM 994 CB PRO A 60 5.156 -11.124 -11.239 1.00 0.00 C ATOM 995 CG PRO A 60 6.051 -11.743 -10.223 1.00 0.00 C ATOM 996 CD PRO A 60 5.759 -13.216 -10.259 1.00 0.00 C ATOM 0 HA PRO A 60 4.062 -12.188 -12.836 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.576 -10.194 -11.623 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.182 -10.882 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.098 -11.547 -10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.860 -11.331 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.644 -13.807 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.990 -13.491 -9.538 1.00 0.00 H new ATOM 1004 N SER A 61 5.653 -11.039 -14.394 1.00 0.00 N ATOM 1005 CA SER A 61 6.518 -10.684 -15.511 1.00 0.00 C ATOM 1006 C SER A 61 6.167 -9.296 -16.048 1.00 0.00 C ATOM 1007 O SER A 61 5.035 -9.055 -16.466 1.00 0.00 O ATOM 1008 CB SER A 61 6.393 -11.721 -16.629 1.00 0.00 C ATOM 1009 OG SER A 61 5.111 -12.324 -16.624 1.00 0.00 O ATOM 0 H SER A 61 4.744 -10.576 -14.401 1.00 0.00 H new ATOM 0 HA SER A 61 7.547 -10.668 -15.153 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.570 -11.244 -17.593 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.159 -12.487 -16.506 1.00 0.00 H new ATOM 0 HG SER A 61 5.056 -12.981 -17.349 1.00 0.00 H new ATOM 1015 N PRO A 62 7.135 -8.359 -16.046 1.00 0.00 N ATOM 1016 CA PRO A 62 6.909 -6.995 -16.537 1.00 0.00 C ATOM 1017 C PRO A 62 6.278 -6.975 -17.925 1.00 0.00 C ATOM 1018 O PRO A 62 5.571 -6.034 -18.283 1.00 0.00 O ATOM 1019 CB PRO A 62 8.312 -6.393 -16.578 1.00 0.00 C ATOM 1020 CG PRO A 62 9.082 -7.157 -15.558 1.00 0.00 C ATOM 1021 CD PRO A 62 8.517 -8.551 -15.567 1.00 0.00 C ATOM 0 HA PRO A 62 6.215 -6.445 -15.902 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.757 -6.494 -17.568 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.293 -5.329 -16.344 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.145 -7.166 -15.798 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.982 -6.702 -14.573 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.083 -9.209 -16.227 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.539 -8.999 -14.574 1.00 0.00 H new ATOM 1029 N VAL A 63 6.539 -8.022 -18.703 1.00 0.00 N ATOM 1030 CA VAL A 63 5.997 -8.130 -20.054 1.00 0.00 C ATOM 1031 C VAL A 63 4.501 -7.829 -20.071 1.00 0.00 C ATOM 1032 O VAL A 63 4.049 -6.920 -20.767 1.00 0.00 O ATOM 1033 CB VAL A 63 6.232 -9.533 -20.644 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.833 -9.570 -22.111 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.683 -9.950 -20.467 1.00 0.00 C ATOM 0 H VAL A 63 7.123 -8.809 -18.420 1.00 0.00 H new ATOM 0 HA VAL A 63 6.521 -7.395 -20.664 1.00 0.00 H new ATOM 0 HB VAL A 63 5.606 -10.244 -20.104 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.006 -10.569 -22.510 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.777 -9.319 -22.207 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.430 -8.848 -22.669 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.830 -10.944 -20.890 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.331 -9.238 -20.979 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.930 -9.967 -19.405 1.00 0.00 H new ATOM 1045 N VAL A 64 3.740 -8.592 -19.294 1.00 0.00 N ATOM 1046 CA VAL A 64 2.297 -8.401 -19.214 1.00 0.00 C ATOM 1047 C VAL A 64 1.966 -7.063 -18.563 1.00 0.00 C ATOM 1048 O VAL A 64 0.966 -6.427 -18.897 1.00 0.00 O ATOM 1049 CB VAL A 64 1.622 -9.531 -18.414 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.557 -10.806 -19.239 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.356 -9.771 -17.103 1.00 0.00 C ATOM 0 H VAL A 64 4.098 -9.348 -18.711 1.00 0.00 H new ATOM 0 HA VAL A 64 1.914 -8.416 -20.234 1.00 0.00 H new ATOM 0 HB VAL A 64 0.602 -9.226 -18.181 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.077 -11.592 -18.656 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.981 -10.623 -20.146 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.566 -11.118 -19.507 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.864 -10.573 -16.552 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.388 -10.053 -17.310 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.342 -8.859 -16.506 1.00 0.00 H new ATOM 1061 N ILE A 65 2.816 -6.642 -17.632 1.00 0.00 N ATOM 1062 CA ILE A 65 2.626 -5.379 -16.932 1.00 0.00 C ATOM 1063 C ILE A 65 2.673 -4.205 -17.908 1.00 0.00 C ATOM 1064 O ILE A 65 1.914 -3.245 -17.777 1.00 0.00 O ATOM 1065 CB ILE A 65 3.695 -5.188 -15.832 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.451 -6.170 -14.685 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.698 -3.756 -15.311 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.715 -6.588 -13.965 1.00 0.00 C ATOM 0 H ILE A 65 3.646 -7.160 -17.345 1.00 0.00 H new ATOM 0 HA ILE A 65 1.643 -5.408 -16.462 1.00 0.00 H new ATOM 0 HB ILE A 65 4.673 -5.389 -16.270 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.768 -5.715 -13.968 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.956 -7.058 -15.078 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.460 -3.651 -14.538 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.916 -3.071 -16.131 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.720 -3.520 -14.891 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.465 -7.284 -13.165 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.392 -7.072 -14.669 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.201 -5.709 -13.542 1.00 0.00 H new ATOM 1080 N LYS A 66 3.568 -4.290 -18.887 1.00 0.00 N ATOM 1081 CA LYS A 66 3.710 -3.235 -19.884 1.00 0.00 C ATOM 1082 C LYS A 66 2.414 -3.052 -20.666 1.00 0.00 C ATOM 1083 O LYS A 66 2.037 -1.932 -21.009 1.00 0.00 O ATOM 1084 CB LYS A 66 4.857 -3.560 -20.842 1.00 0.00 C ATOM 1085 CG LYS A 66 6.229 -3.493 -20.193 1.00 0.00 C ATOM 1086 CD LYS A 66 7.337 -3.457 -21.233 1.00 0.00 C ATOM 1087 CE LYS A 66 7.319 -4.698 -22.110 1.00 0.00 C ATOM 1088 NZ LYS A 66 8.448 -4.709 -23.082 1.00 0.00 N ATOM 0 H LYS A 66 4.205 -5.077 -19.011 1.00 0.00 H new ATOM 0 HA LYS A 66 3.935 -2.304 -19.364 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.706 -4.559 -21.251 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.827 -2.865 -21.681 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.291 -2.606 -19.563 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.367 -4.357 -19.542 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.225 -2.569 -21.855 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.303 -3.377 -20.734 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.372 -5.587 -21.482 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.374 -4.746 -22.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.399 -5.572 -23.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.383 -3.874 -23.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.351 -4.689 -22.566 1.00 0.00 H new ATOM 1102 N LYS A 67 1.735 -4.161 -20.942 1.00 0.00 N ATOM 1103 CA LYS A 67 0.479 -4.124 -21.681 1.00 0.00 C ATOM 1104 C LYS A 67 -0.658 -3.632 -20.791 1.00 0.00 C ATOM 1105 O LYS A 67 -1.593 -2.985 -21.263 1.00 0.00 O ATOM 1106 CB LYS A 67 0.147 -5.511 -22.233 1.00 0.00 C ATOM 1107 CG LYS A 67 -0.740 -5.480 -23.467 1.00 0.00 C ATOM 1108 CD LYS A 67 -1.209 -6.874 -23.852 1.00 0.00 C ATOM 1109 CE LYS A 67 -1.895 -6.878 -25.207 1.00 0.00 C ATOM 1110 NZ LYS A 67 -3.077 -5.973 -25.235 1.00 0.00 N ATOM 0 H LYS A 67 2.034 -5.096 -20.665 1.00 0.00 H new ATOM 0 HA LYS A 67 0.594 -3.429 -22.513 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.075 -6.027 -22.476 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.347 -6.093 -21.455 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.604 -4.843 -23.279 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.193 -5.037 -24.299 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.356 -7.553 -23.873 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.897 -7.250 -23.094 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.184 -6.571 -25.974 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.209 -7.893 -25.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.595 -6.106 -26.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.703 -6.195 -24.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.760 -4.985 -25.162 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.570 -3.944 -19.503 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.590 -3.534 -18.545 1.00 0.00 C ATOM 1126 C ARG A 68 -1.563 -2.023 -18.335 1.00 0.00 C ATOM 1127 O ARG A 68 -2.608 -1.374 -18.290 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.383 -4.254 -17.209 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.558 -5.126 -16.800 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.352 -6.574 -17.218 1.00 0.00 C ATOM 1131 NE ARG A 68 -3.554 -7.145 -17.822 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.928 -6.925 -19.080 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -3.198 -6.148 -19.871 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -5.035 -7.485 -19.551 1.00 0.00 N ATOM 0 H ARG A 68 0.198 -4.480 -19.098 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.565 -3.807 -18.949 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.488 -4.872 -17.274 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.203 -3.513 -16.430 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.692 -5.074 -15.719 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.472 -4.742 -17.253 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.527 -6.633 -17.928 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.067 -7.166 -16.348 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.141 -7.748 -17.245 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.345 -5.716 -19.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.490 -5.983 -20.834 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.599 -8.084 -18.949 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.321 -7.316 -20.515 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.361 -1.469 -18.211 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.199 -0.035 -18.008 1.00 0.00 C ATOM 1150 C ILE A 69 -0.699 0.748 -19.217 1.00 0.00 C ATOM 1151 O ILE A 69 -1.485 1.686 -19.079 1.00 0.00 O ATOM 1152 CB ILE A 69 1.273 0.335 -17.739 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.828 -0.501 -16.585 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.402 1.821 -17.431 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.314 -0.761 -16.689 1.00 0.00 C ATOM 0 H ILE A 69 0.514 -1.992 -18.248 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.794 0.231 -17.134 1.00 0.00 H new ATOM 0 HB ILE A 69 1.854 0.119 -18.635 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.621 0.010 -15.645 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.302 -1.455 -16.552 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.448 2.064 -17.244 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.041 2.401 -18.280 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.810 2.062 -16.548 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.639 -1.359 -15.838 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.525 -1.299 -17.613 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.850 0.188 -16.691 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.242 0.356 -20.403 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.646 1.022 -21.638 1.00 0.00 C ATOM 1169 C GLU A 70 -2.166 1.095 -21.743 1.00 0.00 C ATOM 1170 O GLU A 70 -2.716 2.053 -22.285 1.00 0.00 O ATOM 1171 CB GLU A 70 -0.074 0.285 -22.850 1.00 0.00 C ATOM 1172 CG GLU A 70 0.151 1.181 -24.057 1.00 0.00 C ATOM 1173 CD GLU A 70 1.019 2.382 -23.738 1.00 0.00 C ATOM 1174 OE1 GLU A 70 0.473 3.402 -23.268 1.00 0.00 O ATOM 1175 OE2 GLU A 70 2.246 2.303 -23.959 1.00 0.00 O ATOM 0 H GLU A 70 0.408 -0.419 -20.535 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.251 2.038 -21.620 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.872 -0.178 -22.570 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.753 -0.521 -23.128 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.618 0.601 -24.853 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.812 1.524 -24.435 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.838 0.077 -21.216 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.287 0.045 -21.255 1.00 0.00 C ATOM 1184 C GLY A 71 -4.909 0.884 -20.156 1.00 0.00 C ATOM 1185 O GLY A 71 -6.004 1.421 -20.318 1.00 0.00 O ATOM 0 H GLY A 71 -2.404 -0.727 -20.762 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.631 0.407 -22.224 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.628 -0.986 -21.160 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.204 0.998 -19.035 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.688 1.779 -17.903 1.00 0.00 C ATOM 1191 C LEU A 72 -4.737 3.263 -18.252 1.00 0.00 C ATOM 1192 O LEU A 72 -5.667 3.971 -17.870 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.792 1.558 -16.683 1.00 0.00 C ATOM 1194 CG LEU A 72 -4.024 0.242 -15.939 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.868 -0.048 -14.994 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.340 0.287 -15.177 1.00 0.00 C ATOM 0 H LEU A 72 -3.295 0.559 -18.887 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.698 1.445 -17.666 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.751 1.598 -17.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.943 2.383 -15.987 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.078 -0.564 -16.671 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.051 -0.988 -14.473 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.942 -0.123 -15.564 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.782 0.759 -14.266 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.490 -0.657 -14.653 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.314 1.103 -14.454 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.160 0.448 -15.877 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.729 3.726 -18.984 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.661 5.125 -19.387 1.00 0.00 C ATOM 1210 C ILE A 73 -4.783 5.470 -20.362 1.00 0.00 C ATOM 1211 O ILE A 73 -5.233 6.614 -20.426 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.305 5.458 -20.041 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.155 4.967 -19.159 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.192 6.956 -20.290 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.218 5.289 -19.712 1.00 0.00 C ATOM 0 H ILE A 73 -2.950 3.154 -19.309 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.773 5.721 -18.481 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.243 4.945 -21.001 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.252 5.413 -18.169 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.242 3.888 -19.032 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.230 7.176 -20.752 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.995 7.276 -20.954 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.270 7.489 -19.343 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.982 4.910 -19.033 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.336 4.820 -20.689 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.326 6.369 -19.813 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.228 4.474 -21.122 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.296 4.674 -22.096 1.00 0.00 C ATOM 1229 C GLU A 74 -7.656 4.785 -21.411 1.00 0.00 C ATOM 1230 O GLU A 74 -8.571 5.421 -21.931 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.310 3.524 -23.107 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.471 3.983 -24.546 1.00 0.00 C ATOM 1233 CD GLU A 74 -6.623 2.825 -25.514 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -5.700 1.987 -25.587 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -7.666 2.757 -26.199 1.00 0.00 O ATOM 0 H GLU A 74 -4.866 3.521 -21.082 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.103 5.610 -22.620 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.382 2.960 -23.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.123 2.842 -22.858 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.344 4.632 -24.621 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.605 4.580 -24.832 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.783 4.161 -20.243 1.00 0.00 N ATOM 1243 CA ARG A 75 -9.037 4.194 -19.495 1.00 0.00 C ATOM 1244 C ARG A 75 -9.070 5.364 -18.513 1.00 0.00 C ATOM 1245 O ARG A 75 -9.933 5.424 -17.637 1.00 0.00 O ATOM 1246 CB ARG A 75 -9.244 2.876 -18.744 1.00 0.00 C ATOM 1247 CG ARG A 75 -8.035 2.441 -17.934 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.357 1.247 -17.047 1.00 0.00 C ATOM 1249 NE ARG A 75 -8.012 -0.020 -17.686 1.00 0.00 N ATOM 1250 CZ ARG A 75 -8.821 -0.684 -18.509 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -10.024 -0.207 -18.801 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -8.423 -1.830 -19.046 1.00 0.00 N ATOM 0 H ARG A 75 -7.037 3.629 -19.795 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.847 4.330 -20.212 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.100 2.978 -18.077 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.491 2.094 -19.462 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.218 2.185 -18.608 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.691 3.271 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.814 1.338 -16.106 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.419 1.253 -16.804 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.095 -0.421 -17.490 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.336 0.675 -18.394 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.637 -0.722 -19.432 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.498 -2.201 -18.828 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.042 -2.340 -19.677 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.132 6.297 -18.664 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.065 7.465 -17.791 1.00 0.00 C ATOM 1268 C GLU A 76 -7.728 7.069 -16.355 1.00 0.00 C ATOM 1269 O GLU A 76 -8.068 7.782 -15.411 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.389 8.231 -17.822 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.247 9.705 -17.477 1.00 0.00 C ATOM 1272 CD GLU A 76 -10.545 10.316 -16.986 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -11.577 10.144 -17.668 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -10.530 10.965 -15.919 1.00 0.00 O ATOM 0 H GLU A 76 -7.409 6.266 -19.383 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.268 8.110 -18.162 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.829 8.140 -18.815 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.084 7.768 -17.122 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.481 9.823 -16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.903 10.249 -18.357 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.053 5.935 -16.194 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.670 5.461 -14.868 1.00 0.00 C ATOM 1283 C TYR A 77 -5.317 6.036 -14.463 1.00 0.00 C ATOM 1284 O TYR A 77 -5.166 6.585 -13.372 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.617 3.932 -14.838 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.929 3.287 -14.451 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -9.077 3.495 -15.205 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.018 2.468 -13.332 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -10.277 2.907 -14.855 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.215 1.876 -12.976 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.340 2.098 -13.741 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.534 1.509 -13.389 1.00 0.00 O ATOM 0 H TYR A 77 -6.761 5.330 -16.961 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.423 5.800 -14.156 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.319 3.568 -15.821 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.846 3.617 -14.135 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.031 4.127 -16.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.138 2.291 -12.731 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.161 3.080 -15.451 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.269 1.243 -12.103 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.407 0.970 -12.581 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.338 5.910 -15.353 1.00 0.00 N ATOM 1303 CA LEU A 78 -2.996 6.420 -15.093 1.00 0.00 C ATOM 1304 C LEU A 78 -2.575 7.411 -16.174 1.00 0.00 C ATOM 1305 O LEU A 78 -3.190 7.482 -17.238 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.993 5.267 -15.020 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.428 4.082 -14.155 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.305 3.064 -14.038 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.864 4.560 -12.778 1.00 0.00 C ATOM 0 H LEU A 78 -4.449 5.459 -16.261 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.009 6.938 -14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.802 4.908 -16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.049 5.651 -14.634 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.278 3.598 -14.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.634 2.229 -13.419 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.041 2.698 -15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.434 3.534 -13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.170 3.704 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.033 5.069 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.702 5.250 -12.881 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.524 8.175 -15.895 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.024 9.162 -16.845 1.00 0.00 C ATOM 1323 C ALA A 79 0.447 9.473 -16.591 1.00 0.00 C ATOM 1324 O ALA A 79 0.941 9.318 -15.474 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.855 10.434 -16.770 1.00 0.00 C ATOM 0 H ALA A 79 -1.002 8.130 -15.020 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.111 8.742 -17.847 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.471 11.162 -17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.894 10.205 -17.009 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.797 10.848 -15.763 1.00 0.00 H new ATOM 1331 N ARG A 80 1.143 9.914 -17.634 1.00 0.00 N ATOM 1332 CA ARG A 80 2.558 10.248 -17.524 1.00 0.00 C ATOM 1333 C ARG A 80 2.744 11.719 -17.166 1.00 0.00 C ATOM 1334 O ARG A 80 1.869 12.546 -17.425 1.00 0.00 O ATOM 1335 CB ARG A 80 3.283 9.935 -18.834 1.00 0.00 C ATOM 1336 CG ARG A 80 4.783 9.746 -18.670 1.00 0.00 C ATOM 1337 CD ARG A 80 5.466 9.521 -20.009 1.00 0.00 C ATOM 1338 NE ARG A 80 4.772 8.524 -20.819 1.00 0.00 N ATOM 1339 CZ ARG A 80 4.935 8.391 -22.133 1.00 0.00 C ATOM 1340 NH1 ARG A 80 5.769 9.188 -22.789 1.00 0.00 N ATOM 1341 NH2 ARG A 80 4.263 7.459 -22.794 1.00 0.00 N ATOM 0 H ARG A 80 0.750 10.048 -18.565 1.00 0.00 H new ATOM 0 HA ARG A 80 2.986 9.641 -16.727 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.857 9.031 -19.268 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.102 10.744 -19.542 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.210 10.624 -18.185 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.974 8.896 -18.015 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.511 10.463 -20.555 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.494 9.200 -19.842 1.00 0.00 H new ATOM 0 HE ARG A 80 4.124 7.892 -20.350 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.289 9.907 -22.286 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.890 9.082 -23.796 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.621 6.843 -22.295 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.388 7.358 -23.801 1.00 0.00 H new ATOM 1355 N THR A 81 3.887 12.039 -16.569 1.00 0.00 N ATOM 1356 CA THR A 81 4.186 13.411 -16.175 1.00 0.00 C ATOM 1357 C THR A 81 5.034 14.110 -17.235 1.00 0.00 C ATOM 1358 O THR A 81 5.823 13.472 -17.931 1.00 0.00 O ATOM 1359 CB THR A 81 4.912 13.431 -14.830 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.064 12.606 -14.869 1.00 0.00 O ATOM 1361 CG2 THR A 81 4.049 12.961 -13.678 1.00 0.00 C ATOM 0 H THR A 81 4.622 11.367 -16.347 1.00 0.00 H new ATOM 0 HA THR A 81 3.242 13.948 -16.078 1.00 0.00 H new ATOM 0 HB THR A 81 5.179 14.474 -14.661 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.524 12.646 -14.005 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.624 13.000 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.176 13.608 -13.590 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.724 11.937 -13.861 1.00 0.00 H new ATOM 1369 N PRO A 82 4.882 15.440 -17.369 1.00 0.00 N ATOM 1370 CA PRO A 82 5.638 16.226 -18.349 1.00 0.00 C ATOM 1371 C PRO A 82 7.118 16.329 -17.991 1.00 0.00 C ATOM 1372 O PRO A 82 7.965 16.526 -18.863 1.00 0.00 O ATOM 1373 CB PRO A 82 4.977 17.604 -18.288 1.00 0.00 C ATOM 1374 CG PRO A 82 4.388 17.680 -16.923 1.00 0.00 C ATOM 1375 CD PRO A 82 3.963 16.279 -16.578 1.00 0.00 C ATOM 0 HA PRO A 82 5.615 15.772 -19.340 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.704 18.400 -18.450 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.211 17.710 -19.056 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.116 18.055 -16.204 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.538 18.362 -16.902 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.057 16.082 -15.510 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.922 16.097 -16.845 1.00 0.00 H new ATOM 1383 N GLU A 83 7.421 16.194 -16.704 1.00 0.00 N ATOM 1384 CA GLU A 83 8.798 16.272 -16.229 1.00 0.00 C ATOM 1385 C GLU A 83 9.677 15.238 -16.928 1.00 0.00 C ATOM 1386 O GLU A 83 10.609 15.589 -17.652 1.00 0.00 O ATOM 1387 CB GLU A 83 8.849 16.060 -14.715 1.00 0.00 C ATOM 1388 CG GLU A 83 8.396 17.271 -13.917 1.00 0.00 C ATOM 1389 CD GLU A 83 9.557 18.086 -13.383 1.00 0.00 C ATOM 1390 OE1 GLU A 83 10.383 17.522 -12.634 1.00 0.00 O ATOM 1391 OE2 GLU A 83 9.642 19.286 -13.714 1.00 0.00 O ATOM 0 H GLU A 83 6.731 16.030 -15.971 1.00 0.00 H new ATOM 0 HA GLU A 83 9.180 17.265 -16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.221 15.208 -14.454 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.869 15.805 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.772 17.904 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.775 16.941 -13.084 1.00 0.00 H new ATOM 1398 N ASP A 84 9.373 13.963 -16.705 1.00 0.00 N ATOM 1399 CA ASP A 84 10.136 12.879 -17.314 1.00 0.00 C ATOM 1400 C ASP A 84 9.231 11.978 -18.149 1.00 0.00 C ATOM 1401 O ASP A 84 8.011 11.978 -17.980 1.00 0.00 O ATOM 1402 CB ASP A 84 10.843 12.055 -16.234 1.00 0.00 C ATOM 1403 CG ASP A 84 12.309 11.829 -16.548 1.00 0.00 C ATOM 1404 OD1 ASP A 84 13.030 12.825 -16.766 1.00 0.00 O ATOM 1405 OD2 ASP A 84 12.735 10.655 -16.575 1.00 0.00 O ATOM 0 H ASP A 84 8.605 13.656 -16.108 1.00 0.00 H new ATOM 0 HA ASP A 84 10.885 13.320 -17.972 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.754 12.565 -15.275 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.344 11.092 -16.130 1.00 0.00 H new ATOM 1410 N ARG A 85 9.836 11.213 -19.053 1.00 0.00 N ATOM 1411 CA ARG A 85 9.085 10.308 -19.915 1.00 0.00 C ATOM 1412 C ARG A 85 9.138 8.879 -19.385 1.00 0.00 C ATOM 1413 O ARG A 85 9.108 7.920 -20.156 1.00 0.00 O ATOM 1414 CB ARG A 85 9.637 10.355 -21.341 1.00 0.00 C ATOM 1415 CG ARG A 85 9.278 11.628 -22.091 1.00 0.00 C ATOM 1416 CD ARG A 85 9.985 11.701 -23.435 1.00 0.00 C ATOM 1417 NE ARG A 85 11.405 12.014 -23.290 1.00 0.00 N ATOM 1418 CZ ARG A 85 12.314 11.794 -24.238 1.00 0.00 C ATOM 1419 NH1 ARG A 85 11.956 11.260 -25.399 1.00 0.00 N ATOM 1420 NH2 ARG A 85 13.584 12.107 -24.023 1.00 0.00 N ATOM 0 H ARG A 85 10.844 11.202 -19.207 1.00 0.00 H new ATOM 0 HA ARG A 85 8.045 10.634 -19.923 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.722 10.258 -21.305 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.259 9.497 -21.897 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.200 11.670 -22.243 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.549 12.495 -21.489 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.875 10.749 -23.955 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.508 12.460 -24.055 1.00 0.00 H new ATOM 0 HE ARG A 85 11.718 12.425 -22.411 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.980 11.016 -25.569 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.657 11.094 -26.122 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.865 12.516 -23.132 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.281 11.939 -24.749 1.00 0.00 H new ATOM 1434 N LYS A 86 9.215 8.744 -18.066 1.00 0.00 N ATOM 1435 CA LYS A 86 9.271 7.430 -17.435 1.00 0.00 C ATOM 1436 C LYS A 86 8.591 7.449 -16.069 1.00 0.00 C ATOM 1437 O LYS A 86 8.912 6.641 -15.197 1.00 0.00 O ATOM 1438 CB LYS A 86 10.724 6.974 -17.288 1.00 0.00 C ATOM 1439 CG LYS A 86 11.259 6.241 -18.508 1.00 0.00 C ATOM 1440 CD LYS A 86 10.857 4.775 -18.498 1.00 0.00 C ATOM 1441 CE LYS A 86 11.963 3.890 -19.051 1.00 0.00 C ATOM 1442 NZ LYS A 86 12.964 3.533 -18.008 1.00 0.00 N ATOM 0 H LYS A 86 9.240 9.527 -17.413 1.00 0.00 H new ATOM 0 HA LYS A 86 8.738 6.726 -18.074 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.351 7.844 -17.094 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.805 6.322 -16.418 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.882 6.716 -19.414 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.346 6.321 -18.534 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.620 4.469 -17.479 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.952 4.641 -19.090 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.527 2.979 -19.463 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.462 4.404 -19.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.701 2.929 -18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.399 4.400 -17.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.493 3.020 -17.236 1.00 0.00 H new ATOM 1456 N VAL A 87 7.651 8.370 -15.890 1.00 0.00 N ATOM 1457 CA VAL A 87 6.928 8.489 -14.630 1.00 0.00 C ATOM 1458 C VAL A 87 5.423 8.543 -14.865 1.00 0.00 C ATOM 1459 O VAL A 87 4.955 9.174 -15.813 1.00 0.00 O ATOM 1460 CB VAL A 87 7.359 9.747 -13.850 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.769 9.735 -12.449 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.874 9.850 -13.797 1.00 0.00 C ATOM 0 H VAL A 87 7.372 9.045 -16.602 1.00 0.00 H new ATOM 0 HA VAL A 87 7.171 7.605 -14.041 1.00 0.00 H new ATOM 0 HB VAL A 87 6.977 10.624 -14.373 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.084 10.631 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.681 9.714 -12.513 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.118 8.851 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.159 10.744 -13.242 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.281 8.970 -13.300 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.270 9.910 -14.811 1.00 0.00 H new ATOM 1472 N TYR A 88 4.668 7.877 -13.997 1.00 0.00 N ATOM 1473 CA TYR A 88 3.214 7.849 -14.112 1.00 0.00 C ATOM 1474 C TYR A 88 2.558 8.439 -12.867 1.00 0.00 C ATOM 1475 O TYR A 88 3.208 8.625 -11.839 1.00 0.00 O ATOM 1476 CB TYR A 88 2.727 6.416 -14.330 1.00 0.00 C ATOM 1477 CG TYR A 88 3.303 5.762 -15.566 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.294 6.417 -16.790 1.00 0.00 C ATOM 1479 CD2 TYR A 88 3.854 4.488 -15.507 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.820 5.823 -17.922 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.382 3.887 -16.635 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.362 4.559 -17.839 1.00 0.00 C ATOM 1483 OH TYR A 88 4.886 3.964 -18.963 1.00 0.00 O ATOM 0 H TYR A 88 5.039 7.350 -13.207 1.00 0.00 H new ATOM 0 HA TYR A 88 2.930 8.456 -14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.986 5.816 -13.458 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.639 6.418 -14.404 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.869 7.407 -16.859 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.870 3.959 -14.566 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.806 6.347 -18.866 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.808 2.896 -16.573 1.00 0.00 H new ATOM 0 HH TYR A 88 5.229 3.075 -18.733 1.00 0.00 H new ATOM 1493 N THR A 89 1.266 8.731 -12.970 1.00 0.00 N ATOM 1494 CA THR A 89 0.521 9.300 -11.853 1.00 0.00 C ATOM 1495 C THR A 89 -0.905 8.756 -11.816 1.00 0.00 C ATOM 1496 O THR A 89 -1.469 8.397 -12.849 1.00 0.00 O ATOM 1497 CB THR A 89 0.495 10.826 -11.955 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.526 11.240 -13.310 1.00 0.00 O ATOM 1499 CG2 THR A 89 1.652 11.493 -11.244 1.00 0.00 C ATOM 0 H THR A 89 0.713 8.583 -13.815 1.00 0.00 H new ATOM 0 HA THR A 89 1.024 9.013 -10.929 1.00 0.00 H new ATOM 0 HB THR A 89 -0.433 11.131 -11.471 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.507 12.219 -13.353 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.573 12.574 -11.356 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.626 11.235 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.592 11.151 -11.678 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.479 8.697 -10.620 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.838 8.196 -10.447 1.00 0.00 C ATOM 1509 C TYR A 90 -3.862 9.296 -10.707 1.00 0.00 C ATOM 1510 O TYR A 90 -3.968 10.252 -9.939 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.019 7.635 -9.035 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.252 6.772 -8.880 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.497 5.714 -9.746 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.169 7.016 -7.866 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.622 4.923 -9.605 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.296 6.229 -7.719 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.518 5.184 -8.591 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.638 4.399 -8.449 1.00 0.00 O ATOM 0 H TYR A 90 -1.025 8.990 -9.755 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.000 7.398 -11.172 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.139 7.048 -8.771 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.074 8.463 -8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.798 5.506 -10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.999 7.834 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.798 4.104 -10.287 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.999 6.432 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.445 3.493 -8.768 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.615 9.153 -11.793 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.632 10.133 -12.153 1.00 0.00 C ATOM 1530 C VAL A 91 -7.029 9.524 -12.097 1.00 0.00 C ATOM 1531 O VAL A 91 -7.920 9.920 -12.848 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.391 10.706 -13.560 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -4.253 11.714 -13.542 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -5.107 9.586 -14.543 1.00 0.00 C ATOM 0 H VAL A 91 -4.540 8.367 -12.439 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.561 10.940 -11.424 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.294 11.225 -13.883 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.099 12.107 -14.547 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.502 12.532 -12.867 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.340 11.226 -13.199 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.938 10.006 -15.535 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.219 9.039 -14.225 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.959 8.907 -14.577 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.212 8.558 -11.203 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.500 7.893 -11.050 1.00 0.00 C ATOM 1546 C ALA A 92 -9.187 8.317 -9.756 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.321 6.382 -11.084 1.00 0.00 C ATOM 0 H ALA A 92 -6.485 8.219 -10.574 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.136 8.192 -11.883 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.291 5.898 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.880 6.089 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.663 6.075 -10.271 1.00 0.00 H new