USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 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 77 THR OG1 : rot -49:sc= 0.335 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.323 USER MOD Set 2.1: A 54 HIS : no HE2:sc= -0.265 K(o=2.2,f=-6.6!) USER MOD Set 2.2: A 56 SER OG : rot 105:sc= 2.44 USER MOD Set 3.1: A 33 SER OG : rot -89:sc= 1.8 USER MOD Set 3.2: A 35 LYS NZ :NH3+ -120:sc= 0.343 (180deg=-0.109) USER MOD Single : A 25 GLN : amide:sc= -1.55! C(o=-1.5!,f=-6.7!) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0507 (180deg=-0.989!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.68) USER MOD Single : A 42 ASN : amide:sc=0.000593 X(o=0.00059,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 0.31 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.11) USER MOD Single : A 55 MET CE :methyl 150:sc= -0.667 (180deg=-1.79!) USER MOD Single : A 59 GLN : amide:sc= -0.167 K(o=-0.17,f=-5.3!) USER MOD Single : A 61 ASN : amide:sc= 0.22 K(o=0.22,f=-6.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 76:sc= 0.719 USER MOD Single : A 78 ASN : amide:sc= -0.0458 K(o=-0.046,f=-1.3!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -90:sc= 0.928 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.8!) USER MOD Single : A 91 LYS NZ :NH3+ 143:sc= 1.23 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -9.645 0.147 -34.316 1.00 0.44 N ATOM 349 CA GLN A 25 -10.531 -0.991 -34.488 1.00 0.43 C ATOM 350 C GLN A 25 -10.672 -1.754 -33.178 1.00 0.37 C ATOM 351 O GLN A 25 -9.854 -2.617 -32.857 1.00 0.49 O ATOM 352 CB GLN A 25 -9.986 -1.909 -35.586 1.00 0.48 C ATOM 353 CG GLN A 25 -10.887 -3.088 -35.936 1.00 0.64 C ATOM 354 CD GLN A 25 -12.219 -2.674 -36.537 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.768 -1.623 -36.214 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.740 -3.499 -37.429 1.00 1.34 N ATOM 0 HA GLN A 25 -11.517 -0.633 -34.784 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.819 -1.317 -36.486 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.015 -2.292 -35.272 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.366 -3.737 -36.640 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.070 -3.675 -35.036 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -12.253 -4.362 -37.671 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.628 -3.272 -37.876 1.00 1.34 H new ATOM 365 N LYS A 26 -11.690 -1.411 -32.407 1.00 0.26 N ATOM 366 CA LYS A 26 -11.923 -2.071 -31.137 1.00 0.21 C ATOM 367 C LYS A 26 -13.161 -2.955 -31.219 1.00 0.24 C ATOM 368 O LYS A 26 -14.279 -2.474 -31.379 1.00 0.43 O ATOM 369 CB LYS A 26 -12.063 -1.046 -30.008 1.00 0.30 C ATOM 370 CG LYS A 26 -10.925 -0.042 -29.959 1.00 0.69 C ATOM 371 CD LYS A 26 -11.044 0.894 -28.762 1.00 1.08 C ATOM 372 CE LYS A 26 -10.278 0.371 -27.548 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.743 -0.972 -27.119 1.00 2.11 N ATOM 0 H LYS A 26 -12.365 -0.682 -32.638 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.062 -2.701 -30.914 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.005 -0.511 -30.128 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.115 -1.572 -29.055 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -9.974 -0.573 -29.912 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.918 0.543 -30.878 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -10.665 1.879 -29.033 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -12.095 1.018 -28.502 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.215 0.326 -27.785 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.391 1.072 -26.721 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -10.443 -1.147 -26.139 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -11.781 -1.015 -27.176 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -10.332 -1.697 -27.741 1.00 2.11 H new ATOM 387 N LYS A 27 -12.936 -4.254 -31.132 1.00 0.12 N ATOM 388 CA LYS A 27 -13.999 -5.240 -31.202 1.00 0.12 C ATOM 389 C LYS A 27 -14.400 -5.707 -29.805 1.00 0.13 C ATOM 390 O LYS A 27 -13.584 -5.695 -28.887 1.00 0.19 O ATOM 391 CB LYS A 27 -13.508 -6.427 -32.029 1.00 0.14 C ATOM 392 CG LYS A 27 -13.499 -6.173 -33.523 1.00 0.19 C ATOM 393 CD LYS A 27 -14.907 -6.105 -34.089 1.00 0.28 C ATOM 394 CE LYS A 27 -14.886 -5.775 -35.568 1.00 0.44 C ATOM 395 NZ LYS A 27 -16.228 -5.918 -36.188 1.00 1.27 N ATOM 0 H LYS A 27 -12.007 -4.656 -31.010 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.876 -4.793 -31.670 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.499 -6.688 -31.709 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.142 -7.289 -31.821 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.978 -5.238 -33.730 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.943 -6.966 -34.024 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.411 -7.059 -33.933 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.482 -5.350 -33.553 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -14.529 -4.754 -35.707 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.180 -6.432 -36.076 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -16.170 -5.683 -37.199 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.558 -6.898 -36.078 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.897 -5.273 -35.721 1.00 1.27 H new ATOM 409 N ARG A 28 -15.657 -6.108 -29.646 1.00 0.10 N ATOM 410 CA ARG A 28 -16.120 -6.684 -28.390 1.00 0.12 C ATOM 411 C ARG A 28 -16.616 -8.108 -28.610 1.00 0.09 C ATOM 412 O ARG A 28 -17.446 -8.356 -29.482 1.00 0.15 O ATOM 413 CB ARG A 28 -17.231 -5.843 -27.763 1.00 0.19 C ATOM 414 CG ARG A 28 -16.767 -4.471 -27.308 1.00 0.29 C ATOM 415 CD ARG A 28 -17.622 -3.934 -26.174 1.00 0.29 C ATOM 416 NE ARG A 28 -19.017 -3.723 -26.563 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.965 -3.288 -25.726 1.00 1.15 C ATOM 418 NH1 ARG A 28 -19.661 -2.986 -24.469 1.00 1.40 N ATOM 419 NH2 ARG A 28 -21.213 -3.137 -26.150 1.00 1.65 N ATOM 0 H ARG A 28 -16.372 -6.045 -30.371 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.273 -6.697 -27.704 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -18.038 -5.724 -28.486 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.645 -6.380 -26.909 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.728 -4.528 -26.984 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.802 -3.778 -28.149 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.585 -4.631 -25.337 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -17.201 -2.992 -25.823 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.282 -3.919 -27.528 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -18.701 -3.085 -24.138 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -20.387 -2.655 -23.834 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.453 -3.353 -27.118 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.933 -2.805 -25.508 1.00 1.65 H new ATOM 433 N ALA A 29 -16.100 -9.027 -27.815 1.00 0.08 N ATOM 434 CA ALA A 29 -16.482 -10.429 -27.900 1.00 0.07 C ATOM 435 C ALA A 29 -16.301 -11.085 -26.547 1.00 0.06 C ATOM 436 O ALA A 29 -15.902 -10.434 -25.584 1.00 0.08 O ATOM 437 CB ALA A 29 -15.675 -11.163 -28.971 1.00 0.08 C ATOM 0 H ALA A 29 -15.407 -8.826 -27.094 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.531 -10.487 -28.190 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -15.985 -12.207 -29.008 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.850 -10.698 -29.941 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.614 -11.108 -28.728 1.00 0.08 H new ATOM 443 N THR A 30 -16.613 -12.357 -26.466 1.00 0.06 N ATOM 444 CA THR A 30 -16.533 -13.072 -25.211 1.00 0.06 C ATOM 445 C THR A 30 -15.305 -13.977 -25.199 1.00 0.06 C ATOM 446 O THR A 30 -14.949 -14.561 -26.229 1.00 0.08 O ATOM 447 CB THR A 30 -17.806 -13.910 -24.995 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.847 -13.439 -25.868 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.279 -13.818 -23.557 1.00 0.11 C ATOM 0 H THR A 30 -16.926 -12.921 -27.256 1.00 0.06 H new ATOM 0 HA THR A 30 -16.446 -12.348 -24.401 1.00 0.06 H new ATOM 0 HB THR A 30 -17.573 -14.951 -25.219 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.656 -13.974 -25.731 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.180 -14.419 -23.431 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.499 -14.190 -22.893 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.499 -12.779 -23.312 1.00 0.11 H new ATOM 457 N VAL A 31 -14.645 -14.067 -24.048 1.00 0.08 N ATOM 458 CA VAL A 31 -13.473 -14.924 -23.902 1.00 0.10 C ATOM 459 C VAL A 31 -13.856 -16.384 -24.120 1.00 0.11 C ATOM 460 O VAL A 31 -14.678 -16.936 -23.387 1.00 0.14 O ATOM 461 CB VAL A 31 -12.825 -14.772 -22.509 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.559 -15.614 -22.401 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.515 -13.314 -22.219 1.00 0.13 C ATOM 0 H VAL A 31 -14.902 -13.557 -23.203 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.748 -14.614 -24.655 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.538 -15.131 -21.767 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.122 -15.489 -21.410 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.806 -16.664 -22.559 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.842 -15.292 -23.157 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.059 -13.228 -21.233 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.826 -12.932 -22.972 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.438 -12.734 -22.244 1.00 0.13 H new ATOM 473 N ASP A 32 -13.260 -16.983 -25.141 1.00 0.12 N ATOM 474 CA ASP A 32 -13.492 -18.380 -25.488 1.00 0.15 C ATOM 475 C ASP A 32 -12.920 -19.289 -24.409 1.00 0.15 C ATOM 476 O ASP A 32 -13.562 -20.254 -23.983 1.00 0.19 O ATOM 477 CB ASP A 32 -12.837 -18.688 -26.842 1.00 0.21 C ATOM 478 CG ASP A 32 -12.838 -20.167 -27.198 1.00 0.34 C ATOM 479 OD1 ASP A 32 -11.956 -20.908 -26.703 1.00 0.46 O ATOM 480 OD2 ASP A 32 -13.699 -20.585 -28.006 1.00 0.60 O ATOM 0 H ASP A 32 -12.597 -16.511 -25.757 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.565 -18.559 -25.560 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.359 -18.135 -27.623 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -11.809 -18.327 -26.829 1.00 0.21 H new ATOM 485 N SER A 33 -11.714 -18.954 -23.965 1.00 0.14 N ATOM 486 CA SER A 33 -11.008 -19.724 -22.957 1.00 0.18 C ATOM 487 C SER A 33 -9.678 -19.056 -22.647 1.00 0.13 C ATOM 488 O SER A 33 -9.230 -18.178 -23.388 1.00 0.14 O ATOM 489 CB SER A 33 -10.777 -21.166 -23.429 1.00 0.27 C ATOM 490 OG SER A 33 -10.148 -21.201 -24.699 1.00 1.07 O ATOM 0 H SER A 33 -11.200 -18.138 -24.297 1.00 0.14 H new ATOM 0 HA SER A 33 -11.618 -19.758 -22.054 1.00 0.18 H new ATOM 0 HB2 SER A 33 -10.161 -21.694 -22.702 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.731 -21.691 -23.479 1.00 0.27 H new ATOM 0 HG SER A 33 -10.830 -21.191 -25.402 1.00 1.07 H new ATOM 496 N ILE A 34 -9.055 -19.463 -21.554 1.00 0.16 N ATOM 497 CA ILE A 34 -7.760 -18.931 -21.175 1.00 0.14 C ATOM 498 C ILE A 34 -6.807 -20.071 -20.842 1.00 0.16 C ATOM 499 O ILE A 34 -7.152 -21.000 -20.107 1.00 0.19 O ATOM 500 CB ILE A 34 -7.882 -17.931 -20.002 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.278 -16.551 -20.535 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.580 -17.847 -19.213 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.644 -15.557 -19.452 1.00 0.17 C ATOM 0 H ILE A 34 -9.428 -20.163 -20.912 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.352 -18.378 -22.021 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.658 -18.287 -19.324 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.452 -16.148 -21.121 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.124 -16.663 -21.213 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.696 -17.136 -18.395 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.336 -18.829 -18.809 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.777 -17.515 -19.871 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.913 -14.604 -19.908 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.491 -15.937 -18.880 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.792 -15.414 -18.787 1.00 0.17 H new ATOM 515 N LYS A 35 -5.617 -20.002 -21.417 1.00 0.17 N ATOM 516 CA LYS A 35 -4.628 -21.059 -21.306 1.00 0.21 C ATOM 517 C LYS A 35 -3.324 -20.505 -20.736 1.00 0.20 C ATOM 518 O LYS A 35 -2.425 -20.107 -21.485 1.00 0.22 O ATOM 519 CB LYS A 35 -4.371 -21.667 -22.689 1.00 0.24 C ATOM 520 CG LYS A 35 -5.638 -22.121 -23.401 1.00 0.34 C ATOM 521 CD LYS A 35 -6.232 -23.370 -22.768 1.00 0.47 C ATOM 522 CE LYS A 35 -7.726 -23.484 -23.040 1.00 0.64 C ATOM 523 NZ LYS A 35 -8.052 -23.356 -24.488 1.00 1.56 N ATOM 0 H LYS A 35 -5.310 -19.206 -21.976 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.006 -21.829 -20.634 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.859 -20.932 -23.310 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.699 -22.519 -22.583 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.374 -21.318 -23.378 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.414 -22.318 -24.449 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.723 -24.252 -23.157 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.059 -23.350 -21.692 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.087 -24.445 -22.673 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -8.254 -22.711 -22.482 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.685 -22.543 -24.631 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.176 -23.212 -25.030 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -8.523 -24.223 -24.816 1.00 1.56 H new ATOM 537 N GLY A 36 -3.238 -20.450 -19.416 1.00 0.25 N ATOM 538 CA GLY A 36 -2.051 -19.925 -18.770 1.00 0.28 C ATOM 539 C GLY A 36 -1.944 -18.415 -18.894 1.00 0.24 C ATOM 540 O GLY A 36 -2.738 -17.682 -18.312 1.00 0.29 O ATOM 0 H GLY A 36 -3.971 -20.760 -18.778 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.063 -20.200 -17.715 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.167 -20.386 -19.210 1.00 0.28 H new ATOM 544 N GLN A 37 -0.967 -17.955 -19.665 1.00 0.21 N ATOM 545 CA GLN A 37 -0.739 -16.524 -19.859 1.00 0.20 C ATOM 546 C GLN A 37 -1.396 -16.043 -21.144 1.00 0.17 C ATOM 547 O GLN A 37 -1.140 -14.932 -21.601 1.00 0.21 O ATOM 548 CB GLN A 37 0.759 -16.220 -19.940 1.00 0.24 C ATOM 549 CG GLN A 37 1.572 -16.708 -18.753 1.00 0.36 C ATOM 550 CD GLN A 37 1.193 -16.019 -17.457 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.740 -14.876 -17.456 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.391 -16.702 -16.340 1.00 1.94 N ATOM 0 H GLN A 37 -0.315 -18.555 -20.170 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.175 -16.006 -19.005 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.159 -16.673 -20.847 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.892 -15.142 -20.036 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.433 -17.783 -18.641 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.631 -16.542 -18.951 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.769 -17.649 -16.381 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.166 -16.282 -15.438 1.00 1.94 H new ATOM 561 N PHE A 38 -2.234 -16.874 -21.732 1.00 0.13 N ATOM 562 CA PHE A 38 -2.823 -16.546 -23.012 1.00 0.11 C ATOM 563 C PHE A 38 -4.312 -16.771 -22.984 1.00 0.10 C ATOM 564 O PHE A 38 -4.796 -17.749 -22.425 1.00 0.12 O ATOM 565 CB PHE A 38 -2.189 -17.365 -24.133 1.00 0.13 C ATOM 566 CG PHE A 38 -0.742 -17.034 -24.360 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.381 -16.064 -25.279 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.253 -17.671 -23.636 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.945 -15.739 -25.477 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.582 -17.353 -23.832 1.00 0.29 C ATOM 571 CZ PHE A 38 1.927 -16.380 -24.749 1.00 0.32 C ATOM 0 H PHE A 38 -2.520 -17.774 -21.346 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.631 -15.491 -23.207 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.280 -18.425 -23.896 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.743 -17.196 -25.056 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.146 -15.556 -25.847 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.014 -18.425 -22.910 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.214 -14.984 -26.201 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.350 -17.864 -23.270 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.965 -16.121 -24.897 1.00 0.32 H new ATOM 581 N GLY A 39 -5.028 -15.865 -23.600 1.00 0.09 N ATOM 582 CA GLY A 39 -6.454 -15.980 -23.670 1.00 0.09 C ATOM 583 C GLY A 39 -6.917 -16.001 -25.097 1.00 0.09 C ATOM 584 O GLY A 39 -6.219 -15.518 -25.987 1.00 0.11 O ATOM 0 H GLY A 39 -4.642 -15.040 -24.059 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.775 -16.891 -23.165 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.917 -15.145 -23.145 1.00 0.09 H new ATOM 588 N PHE A 40 -8.076 -16.569 -25.323 1.00 0.09 N ATOM 589 CA PHE A 40 -8.648 -16.602 -26.648 1.00 0.10 C ATOM 590 C PHE A 40 -10.073 -16.098 -26.583 1.00 0.10 C ATOM 591 O PHE A 40 -10.760 -16.295 -25.584 1.00 0.18 O ATOM 592 CB PHE A 40 -8.614 -18.025 -27.219 1.00 0.12 C ATOM 593 CG PHE A 40 -7.233 -18.616 -27.286 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.669 -19.223 -26.172 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.503 -18.564 -28.459 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.398 -19.758 -26.228 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.231 -19.099 -28.522 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.678 -19.699 -27.405 1.00 0.17 C ATOM 0 H PHE A 40 -8.644 -17.017 -24.604 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.062 -15.962 -27.307 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.246 -18.668 -26.606 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.045 -18.016 -28.220 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.231 -19.277 -25.251 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.932 -18.100 -29.335 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.967 -20.222 -25.353 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.669 -19.049 -29.443 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.685 -20.121 -27.453 1.00 0.17 H new ATOM 608 N LEU A 41 -10.507 -15.434 -27.637 1.00 0.10 N ATOM 609 CA LEU A 41 -11.847 -14.881 -27.694 1.00 0.09 C ATOM 610 C LEU A 41 -12.604 -15.535 -28.826 1.00 0.09 C ATOM 611 O LEU A 41 -11.989 -15.993 -29.791 1.00 0.13 O ATOM 612 CB LEU A 41 -11.775 -13.367 -27.903 1.00 0.09 C ATOM 613 CG LEU A 41 -10.713 -12.670 -27.058 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.359 -11.318 -27.643 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.202 -12.525 -25.628 1.00 0.53 C ATOM 0 H LEU A 41 -9.946 -15.263 -28.472 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.367 -15.075 -26.756 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.576 -13.166 -28.956 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.748 -12.933 -27.674 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.810 -13.281 -27.060 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.600 -10.841 -27.023 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -9.972 -11.449 -28.654 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.250 -10.690 -27.674 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.438 -12.027 -25.031 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.117 -11.933 -25.615 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.402 -13.512 -25.210 1.00 0.53 H new ATOM 627 N ASN A 42 -13.922 -15.604 -28.716 1.00 0.11 N ATOM 628 CA ASN A 42 -14.718 -16.197 -29.776 1.00 0.15 C ATOM 629 C ASN A 42 -14.817 -15.226 -30.941 1.00 0.14 C ATOM 630 O ASN A 42 -15.841 -14.580 -31.165 1.00 0.17 O ATOM 631 CB ASN A 42 -16.107 -16.604 -29.277 1.00 0.22 C ATOM 632 CG ASN A 42 -16.809 -17.542 -30.240 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.615 -18.757 -30.191 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.635 -16.991 -31.114 1.00 1.37 N ATOM 0 H ASN A 42 -14.455 -15.262 -27.916 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.223 -17.108 -30.113 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.015 -17.087 -28.304 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.716 -15.711 -29.133 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.139 -17.577 -31.780 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -17.768 -15.980 -31.122 1.00 1.37 H new ATOM 641 N PHE A 43 -13.706 -15.099 -31.641 1.00 0.12 N ATOM 642 CA PHE A 43 -13.606 -14.251 -32.805 1.00 0.13 C ATOM 643 C PHE A 43 -12.658 -14.916 -33.792 1.00 0.16 C ATOM 644 O PHE A 43 -11.442 -14.863 -33.626 1.00 0.18 O ATOM 645 CB PHE A 43 -13.097 -12.858 -32.416 1.00 0.12 C ATOM 646 CG PHE A 43 -13.334 -11.815 -33.475 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.476 -11.033 -33.445 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.415 -11.609 -34.487 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.700 -10.070 -34.410 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.633 -10.650 -35.456 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.775 -9.875 -35.416 1.00 0.28 C ATOM 0 H PHE A 43 -12.841 -15.588 -31.412 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.588 -14.122 -33.261 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.586 -12.546 -31.494 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.029 -12.916 -32.206 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.201 -11.178 -32.657 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.515 -12.206 -34.520 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.598 -9.470 -34.377 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.910 -10.506 -36.245 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.944 -9.119 -36.169 1.00 0.28 H new ATOM 661 N GLU A 44 -13.220 -15.576 -34.785 1.00 0.23 N ATOM 662 CA GLU A 44 -12.427 -16.350 -35.720 1.00 0.30 C ATOM 663 C GLU A 44 -12.182 -15.565 -36.997 1.00 0.29 C ATOM 664 O GLU A 44 -13.060 -15.428 -37.847 1.00 0.39 O ATOM 665 CB GLU A 44 -13.109 -17.684 -35.988 1.00 0.44 C ATOM 666 CG GLU A 44 -13.127 -18.573 -34.744 1.00 0.60 C ATOM 667 CD GLU A 44 -13.929 -19.847 -34.906 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.118 -20.558 -33.893 1.00 1.81 O ATOM 669 OE2 GLU A 44 -14.366 -20.145 -36.033 1.00 1.57 O ATOM 0 H GLU A 44 -14.224 -15.592 -34.966 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.449 -16.554 -35.284 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.131 -17.509 -36.324 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.592 -18.201 -36.796 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -12.102 -18.833 -34.481 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -13.535 -18.003 -33.909 1.00 0.60 H new ATOM 676 N VAL A 45 -10.969 -15.045 -37.098 1.00 0.30 N ATOM 677 CA VAL A 45 -10.589 -14.137 -38.171 1.00 0.38 C ATOM 678 C VAL A 45 -10.484 -14.842 -39.524 1.00 0.45 C ATOM 679 O VAL A 45 -10.844 -14.270 -40.552 1.00 0.58 O ATOM 680 CB VAL A 45 -9.255 -13.421 -37.855 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.428 -12.481 -36.675 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.140 -14.420 -37.575 1.00 0.71 C ATOM 0 H VAL A 45 -10.217 -15.241 -36.437 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.387 -13.397 -38.238 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.971 -12.841 -38.733 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.481 -11.984 -36.464 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.185 -11.734 -36.913 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.742 -13.050 -35.800 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.217 -13.883 -37.357 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.412 -15.038 -36.719 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.993 -15.055 -38.449 1.00 0.71 H new ATOM 692 N GLU A 46 -9.993 -16.078 -39.525 1.00 0.51 N ATOM 693 CA GLU A 46 -9.781 -16.805 -40.756 1.00 0.61 C ATOM 694 C GLU A 46 -9.908 -18.310 -40.532 1.00 0.62 C ATOM 695 O GLU A 46 -9.197 -18.874 -39.701 1.00 0.97 O ATOM 696 CB GLU A 46 -8.390 -16.475 -41.292 1.00 0.75 C ATOM 697 CG GLU A 46 -7.831 -17.541 -42.204 1.00 0.88 C ATOM 698 CD GLU A 46 -8.430 -17.515 -43.598 1.00 1.35 C ATOM 699 OE1 GLU A 46 -9.602 -17.917 -43.747 1.00 2.24 O ATOM 700 OE2 GLU A 46 -7.736 -17.104 -44.550 1.00 1.57 O ATOM 0 H GLU A 46 -9.737 -16.591 -38.682 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.541 -16.508 -41.478 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.432 -15.530 -41.833 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.710 -16.332 -40.453 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.751 -17.416 -42.278 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.008 -18.520 -41.758 1.00 0.88 H new ATOM 707 N ASP A 47 -10.837 -18.942 -41.248 1.00 0.85 N ATOM 708 CA ASP A 47 -10.924 -20.409 -41.313 1.00 0.84 C ATOM 709 C ASP A 47 -11.207 -21.025 -39.940 1.00 0.83 C ATOM 710 O ASP A 47 -11.077 -22.230 -39.735 1.00 1.18 O ATOM 711 CB ASP A 47 -9.618 -20.970 -41.903 1.00 0.90 C ATOM 712 CG ASP A 47 -9.688 -22.446 -42.246 1.00 1.18 C ATOM 713 OD1 ASP A 47 -10.278 -22.790 -43.291 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.119 -23.264 -41.492 1.00 1.55 O ATOM 0 H ASP A 47 -11.548 -18.460 -41.798 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.761 -20.676 -41.958 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.366 -20.409 -42.803 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.809 -20.810 -41.190 1.00 0.90 H new ATOM 719 N GLY A 48 -11.645 -20.197 -39.013 1.00 0.65 N ATOM 720 CA GLY A 48 -11.862 -20.657 -37.658 1.00 0.67 C ATOM 721 C GLY A 48 -10.658 -20.406 -36.772 1.00 0.58 C ATOM 722 O GLY A 48 -10.418 -21.136 -35.809 1.00 0.66 O ATOM 0 H GLY A 48 -11.856 -19.212 -39.171 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.732 -20.152 -37.239 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -12.088 -21.723 -37.669 1.00 0.67 H new ATOM 726 N LYS A 49 -9.895 -19.371 -37.101 1.00 0.48 N ATOM 727 CA LYS A 49 -8.724 -19.018 -36.319 1.00 0.44 C ATOM 728 C LYS A 49 -9.147 -18.223 -35.101 1.00 0.36 C ATOM 729 O LYS A 49 -9.571 -17.072 -35.223 1.00 0.35 O ATOM 730 CB LYS A 49 -7.719 -18.207 -37.145 1.00 0.50 C ATOM 731 CG LYS A 49 -6.378 -18.903 -37.336 1.00 0.71 C ATOM 732 CD LYS A 49 -5.711 -19.240 -36.006 1.00 0.93 C ATOM 733 CE LYS A 49 -5.340 -17.991 -35.218 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.815 -18.328 -33.868 1.00 2.50 N ATOM 0 H LYS A 49 -10.068 -18.765 -37.903 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.234 -19.941 -36.008 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.152 -17.997 -38.123 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.553 -17.246 -36.657 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -6.524 -19.818 -37.910 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -5.717 -18.262 -37.920 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -6.383 -19.858 -35.410 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -4.814 -19.831 -36.190 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.590 -17.423 -35.769 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -6.216 -17.350 -35.118 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -5.506 -18.042 -33.145 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.652 -19.353 -33.805 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -3.919 -17.824 -33.708 1.00 2.50 H new ATOM 748 N LYS A 50 -9.020 -18.837 -33.938 1.00 0.37 N ATOM 749 CA LYS A 50 -9.431 -18.213 -32.697 1.00 0.32 C ATOM 750 C LYS A 50 -8.507 -17.044 -32.377 1.00 0.27 C ATOM 751 O LYS A 50 -7.280 -17.174 -32.444 1.00 0.36 O ATOM 752 CB LYS A 50 -9.405 -19.237 -31.558 1.00 0.41 C ATOM 753 CG LYS A 50 -10.320 -18.888 -30.389 1.00 0.47 C ATOM 754 CD LYS A 50 -11.790 -19.086 -30.739 1.00 0.47 C ATOM 755 CE LYS A 50 -12.125 -20.558 -30.941 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.560 -20.770 -31.270 1.00 1.32 N ATOM 0 H LYS A 50 -8.632 -19.774 -33.829 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.449 -17.840 -32.806 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.693 -20.211 -31.953 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.383 -19.331 -31.191 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.065 -19.509 -29.530 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.153 -17.852 -30.094 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.412 -18.677 -29.943 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.027 -18.531 -31.647 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -11.507 -20.962 -31.743 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -11.876 -21.113 -30.036 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -13.771 -21.788 -31.265 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.153 -20.290 -30.563 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -13.761 -20.380 -32.213 1.00 1.32 H new ATOM 770 N LEU A 51 -9.099 -15.897 -32.074 1.00 0.19 N ATOM 771 CA LEU A 51 -8.332 -14.726 -31.684 1.00 0.13 C ATOM 772 C LEU A 51 -7.642 -14.955 -30.356 1.00 0.12 C ATOM 773 O LEU A 51 -8.289 -15.280 -29.362 1.00 0.16 O ATOM 774 CB LEU A 51 -9.215 -13.490 -31.588 1.00 0.13 C ATOM 775 CG LEU A 51 -8.937 -12.421 -32.648 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.760 -11.179 -32.379 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.460 -12.067 -32.683 1.00 0.16 C ATOM 0 H LEU A 51 -10.109 -15.754 -32.091 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.582 -14.559 -32.457 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.258 -13.798 -31.667 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.088 -13.045 -30.601 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.220 -12.828 -33.619 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.549 -10.430 -33.143 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.820 -11.433 -32.402 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.504 -10.779 -31.398 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.286 -11.306 -33.443 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.155 -11.684 -31.709 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.878 -12.957 -32.921 1.00 0.16 H new ATOM 789 N PHE A 52 -6.332 -14.788 -30.342 1.00 0.12 N ATOM 790 CA PHE A 52 -5.568 -14.969 -29.127 1.00 0.11 C ATOM 791 C PHE A 52 -5.105 -13.623 -28.596 1.00 0.10 C ATOM 792 O PHE A 52 -5.071 -12.630 -29.328 1.00 0.12 O ATOM 793 CB PHE A 52 -4.353 -15.879 -29.369 1.00 0.14 C ATOM 794 CG PHE A 52 -3.197 -15.201 -30.059 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.168 -15.069 -31.437 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.140 -14.691 -29.316 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.105 -14.444 -32.063 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.075 -14.066 -29.936 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.059 -13.939 -31.311 1.00 0.39 C ATOM 0 H PHE A 52 -5.778 -14.528 -31.158 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.214 -15.446 -28.390 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.010 -16.270 -28.411 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.668 -16.734 -29.968 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.983 -15.458 -32.029 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.151 -14.784 -28.240 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.091 -14.350 -33.139 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.257 -13.678 -29.347 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.231 -13.446 -31.799 1.00 0.39 H new ATOM 809 N PHE A 53 -4.768 -13.602 -27.323 1.00 0.10 N ATOM 810 CA PHE A 53 -4.188 -12.433 -26.704 1.00 0.10 C ATOM 811 C PHE A 53 -3.310 -12.870 -25.547 1.00 0.11 C ATOM 812 O PHE A 53 -3.535 -13.933 -24.964 1.00 0.13 O ATOM 813 CB PHE A 53 -5.292 -11.475 -26.235 1.00 0.10 C ATOM 814 CG PHE A 53 -6.160 -11.993 -25.117 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.736 -11.919 -23.799 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.410 -12.532 -25.380 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.534 -12.377 -22.773 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.210 -12.991 -24.354 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.773 -12.913 -23.050 1.00 0.14 C ATOM 0 H PHE A 53 -4.889 -14.394 -26.691 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.575 -11.897 -27.428 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.829 -10.543 -25.911 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -5.929 -11.236 -27.087 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.768 -11.497 -23.573 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.761 -12.593 -26.399 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.188 -12.316 -21.752 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.180 -13.412 -24.573 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.400 -13.271 -22.247 1.00 0.14 H new ATOM 829 N HIS A 54 -2.304 -12.079 -25.225 1.00 0.13 N ATOM 830 CA HIS A 54 -1.454 -12.383 -24.094 1.00 0.15 C ATOM 831 C HIS A 54 -2.018 -11.686 -22.856 1.00 0.15 C ATOM 832 O HIS A 54 -2.688 -10.655 -22.968 1.00 0.16 O ATOM 833 CB HIS A 54 -0.009 -11.958 -24.370 1.00 0.18 C ATOM 834 CG HIS A 54 0.957 -12.386 -23.305 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.653 -11.518 -22.496 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.326 -13.631 -22.918 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.405 -12.246 -21.661 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.244 -13.535 -21.877 1.00 0.27 N ATOM 0 H HIS A 54 -2.058 -11.227 -25.728 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.440 -13.459 -23.921 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.308 -12.376 -25.325 1.00 0.18 H new ATOM 0 HB3 HIS A 54 0.029 -10.873 -24.469 1.00 0.18 H new ATOM 0 HD1 HIS A 54 1.605 -10.500 -22.527 1.00 0.34 H new ATOM 0 HD2 HIS A 54 0.964 -14.553 -23.350 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.058 -11.830 -20.908 1.00 0.34 H new ATOM 846 N MET A 55 -1.749 -12.252 -21.686 1.00 0.16 N ATOM 847 CA MET A 55 -2.333 -11.782 -20.429 1.00 0.17 C ATOM 848 C MET A 55 -1.798 -10.405 -20.030 1.00 0.17 C ATOM 849 O MET A 55 -2.172 -9.863 -18.992 1.00 0.27 O ATOM 850 CB MET A 55 -2.039 -12.798 -19.326 1.00 0.24 C ATOM 851 CG MET A 55 -3.184 -12.977 -18.348 1.00 0.76 C ATOM 852 SD MET A 55 -4.692 -13.548 -19.156 1.00 1.86 S ATOM 853 CE MET A 55 -5.807 -13.642 -17.759 1.00 2.43 C ATOM 0 H MET A 55 -1.121 -13.049 -21.578 1.00 0.16 H new ATOM 0 HA MET A 55 -3.409 -11.684 -20.570 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.807 -13.761 -19.782 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.151 -12.482 -18.779 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.893 -13.693 -17.579 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.380 -12.030 -17.845 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.827 -13.452 -18.094 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.750 -14.636 -17.315 1.00 2.43 H new ATOM 0 HE3 MET A 55 -5.524 -12.896 -17.017 1.00 2.43 H new ATOM 863 N SER A 56 -0.924 -9.847 -20.857 1.00 0.16 N ATOM 864 CA SER A 56 -0.408 -8.501 -20.642 1.00 0.19 C ATOM 865 C SER A 56 -1.410 -7.452 -21.117 1.00 0.17 C ATOM 866 O SER A 56 -1.556 -6.391 -20.505 1.00 0.24 O ATOM 867 CB SER A 56 0.907 -8.331 -21.392 1.00 0.26 C ATOM 868 OG SER A 56 0.849 -8.971 -22.654 1.00 0.91 O ATOM 0 H SER A 56 -0.555 -10.309 -21.688 1.00 0.16 H new ATOM 0 HA SER A 56 -0.243 -8.361 -19.574 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.121 -7.271 -21.526 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.724 -8.749 -20.804 1.00 0.26 H new ATOM 0 HG SER A 56 0.752 -8.297 -23.359 1.00 0.91 H new ATOM 874 N GLU A 57 -2.084 -7.755 -22.224 1.00 0.14 N ATOM 875 CA GLU A 57 -3.083 -6.868 -22.795 1.00 0.17 C ATOM 876 C GLU A 57 -4.338 -6.865 -21.930 1.00 0.16 C ATOM 877 O GLU A 57 -5.187 -5.981 -22.045 1.00 0.20 O ATOM 878 CB GLU A 57 -3.417 -7.310 -24.224 1.00 0.22 C ATOM 879 CG GLU A 57 -2.318 -7.028 -25.243 1.00 0.32 C ATOM 880 CD GLU A 57 -1.055 -7.829 -24.993 1.00 1.10 C ATOM 881 OE1 GLU A 57 -0.998 -9.008 -25.400 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.112 -7.286 -24.381 1.00 1.20 O ATOM 0 H GLU A 57 -1.950 -8.621 -22.746 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.683 -5.854 -22.827 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.627 -8.380 -24.221 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.330 -6.807 -24.543 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.691 -7.252 -26.242 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -2.077 -5.965 -25.224 1.00 0.32 H new ATOM 889 N VAL A 58 -4.430 -7.869 -21.066 1.00 0.17 N ATOM 890 CA VAL A 58 -5.523 -8.015 -20.115 1.00 0.17 C ATOM 891 C VAL A 58 -5.595 -6.828 -19.143 1.00 0.20 C ATOM 892 O VAL A 58 -4.587 -6.182 -18.850 1.00 0.27 O ATOM 893 CB VAL A 58 -5.367 -9.365 -19.361 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.898 -9.323 -17.940 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.050 -10.471 -20.142 1.00 0.22 C ATOM 0 H VAL A 58 -3.737 -8.615 -21.006 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.467 -8.020 -20.661 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.298 -9.563 -19.285 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.758 -10.297 -17.470 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.358 -8.566 -17.372 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.960 -9.077 -17.955 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.938 -11.415 -19.609 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.110 -10.239 -20.250 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.594 -10.555 -21.129 1.00 0.22 H new ATOM 905 N GLN A 59 -6.812 -6.544 -18.678 1.00 0.20 N ATOM 906 CA GLN A 59 -7.085 -5.413 -17.799 1.00 0.25 C ATOM 907 C GLN A 59 -6.424 -5.573 -16.433 1.00 0.34 C ATOM 908 O GLN A 59 -6.983 -6.194 -15.527 1.00 0.57 O ATOM 909 CB GLN A 59 -8.593 -5.253 -17.621 1.00 0.31 C ATOM 910 CG GLN A 59 -9.103 -3.864 -17.972 1.00 0.41 C ATOM 911 CD GLN A 59 -8.758 -2.809 -16.932 1.00 0.77 C ATOM 912 OE1 GLN A 59 -7.749 -2.902 -16.237 1.00 1.60 O ATOM 913 NE2 GLN A 59 -9.588 -1.779 -16.830 1.00 1.25 N ATOM 0 H GLN A 59 -7.639 -7.097 -18.904 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.664 -4.524 -18.268 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.104 -5.987 -18.244 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.854 -5.476 -16.587 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.686 -3.565 -18.933 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.186 -3.903 -18.093 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -10.417 -1.732 -17.422 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -9.397 -1.034 -16.160 1.00 1.25 H new ATOM 922 N GLY A 60 -5.233 -5.012 -16.306 1.00 0.40 N ATOM 923 CA GLY A 60 -4.560 -4.951 -15.025 1.00 0.49 C ATOM 924 C GLY A 60 -4.038 -6.292 -14.550 1.00 0.44 C ATOM 925 O GLY A 60 -2.912 -6.679 -14.869 1.00 0.58 O ATOM 0 H GLY A 60 -4.714 -4.592 -17.077 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -3.728 -4.250 -15.094 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.250 -4.554 -14.280 1.00 0.49 H new ATOM 929 N ASN A 61 -4.858 -6.997 -13.782 1.00 0.47 N ATOM 930 CA ASN A 61 -4.457 -8.268 -13.196 1.00 0.52 C ATOM 931 C ASN A 61 -5.096 -9.419 -13.957 1.00 0.52 C ATOM 932 O ASN A 61 -6.119 -9.247 -14.619 1.00 0.49 O ATOM 933 CB ASN A 61 -4.858 -8.341 -11.722 1.00 0.63 C ATOM 934 CG ASN A 61 -4.192 -9.496 -10.991 1.00 1.27 C ATOM 935 OD1 ASN A 61 -4.700 -10.618 -10.983 1.00 2.20 O ATOM 936 ND2 ASN A 61 -3.052 -9.230 -10.375 1.00 1.71 N ATOM 0 H ASN A 61 -5.808 -6.708 -13.550 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.372 -8.345 -13.265 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -4.594 -7.404 -11.231 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -5.941 -8.445 -11.649 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -2.561 -9.968 -9.870 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -2.664 -8.287 -10.405 1.00 1.71 H new ATOM 943 N THR A 62 -4.515 -10.592 -13.825 1.00 0.62 N ATOM 944 CA THR A 62 -4.935 -11.747 -14.590 1.00 0.71 C ATOM 945 C THR A 62 -6.184 -12.394 -13.990 1.00 0.70 C ATOM 946 O THR A 62 -6.918 -13.102 -14.672 1.00 0.82 O ATOM 947 CB THR A 62 -3.787 -12.764 -14.645 1.00 0.86 C ATOM 948 OG1 THR A 62 -3.606 -13.371 -13.359 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.499 -12.063 -15.042 1.00 0.95 C ATOM 0 H THR A 62 -3.740 -10.772 -13.186 1.00 0.62 H new ATOM 0 HA THR A 62 -5.187 -11.419 -15.598 1.00 0.71 H new ATOM 0 HB THR A 62 -4.034 -13.530 -15.380 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.873 -14.020 -13.404 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.687 -12.789 -15.080 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.622 -11.604 -16.023 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.263 -11.292 -14.308 1.00 0.95 H new ATOM 957 N VAL A 63 -6.427 -12.126 -12.712 1.00 0.63 N ATOM 958 CA VAL A 63 -7.572 -12.701 -12.009 1.00 0.71 C ATOM 959 C VAL A 63 -8.833 -11.884 -12.275 1.00 0.64 C ATOM 960 O VAL A 63 -9.940 -12.278 -11.911 1.00 0.74 O ATOM 961 CB VAL A 63 -7.319 -12.752 -10.484 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.643 -11.422 -9.817 1.00 1.39 C ATOM 963 CG2 VAL A 63 -8.103 -13.888 -9.843 1.00 1.31 C ATOM 0 H VAL A 63 -5.846 -11.513 -12.139 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.709 -13.716 -12.383 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.256 -12.943 -10.333 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.453 -11.496 -8.746 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -7.016 -10.639 -10.243 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -8.692 -11.178 -9.983 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -7.909 -13.904 -8.770 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -9.169 -13.738 -10.017 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -7.794 -14.837 -10.282 1.00 1.31 H new ATOM 973 N ALA A 64 -8.647 -10.739 -12.899 1.00 0.55 N ATOM 974 CA ALA A 64 -9.739 -9.813 -13.145 1.00 0.53 C ATOM 975 C ALA A 64 -10.460 -10.138 -14.446 1.00 0.44 C ATOM 976 O ALA A 64 -11.611 -9.735 -14.658 1.00 0.56 O ATOM 977 CB ALA A 64 -9.193 -8.398 -13.158 1.00 0.57 C ATOM 0 H ALA A 64 -7.742 -10.423 -13.249 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.474 -9.908 -12.346 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.006 -7.696 -13.342 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.733 -8.176 -12.195 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.446 -8.303 -13.947 1.00 0.57 H new ATOM 983 N LEU A 65 -9.783 -10.879 -15.305 1.00 0.35 N ATOM 984 CA LEU A 65 -10.336 -11.266 -16.585 1.00 0.25 C ATOM 985 C LEU A 65 -10.516 -12.787 -16.619 1.00 0.22 C ATOM 986 O LEU A 65 -9.562 -13.530 -16.399 1.00 0.26 O ATOM 987 CB LEU A 65 -9.383 -10.799 -17.691 1.00 0.23 C ATOM 988 CG LEU A 65 -10.045 -10.331 -18.982 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.602 -8.916 -19.314 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.728 -11.290 -20.121 1.00 1.21 C ATOM 0 H LEU A 65 -8.839 -11.227 -15.134 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.311 -10.803 -16.740 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.775 -9.983 -17.300 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.704 -11.618 -17.929 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.126 -10.324 -18.843 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.081 -8.592 -20.238 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.887 -8.246 -18.503 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.519 -8.894 -19.439 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.208 -10.941 -21.035 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.649 -11.332 -20.271 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.099 -12.285 -19.873 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.733 -13.245 -16.883 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.026 -14.674 -16.858 1.00 0.21 C ATOM 1004 C HIS A 66 -12.603 -15.147 -18.184 1.00 0.15 C ATOM 1005 O HIS A 66 -13.172 -14.358 -18.942 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.012 -15.006 -15.733 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.442 -14.894 -14.351 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.367 -15.625 -13.901 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.848 -14.138 -13.302 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.158 -15.301 -12.621 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.033 -14.400 -12.207 1.00 0.91 N ATOM 0 H HIS A 66 -12.530 -12.652 -17.116 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.084 -15.192 -16.681 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.871 -14.340 -15.813 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.381 -16.021 -15.879 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.674 -13.442 -13.315 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -10.376 -15.720 -12.005 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.097 -13.984 -11.278 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.454 -16.450 -18.481 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.055 -17.058 -19.662 1.00 0.14 C ATOM 1021 C PRO A 67 -14.575 -17.126 -19.545 1.00 0.15 C ATOM 1022 O PRO A 67 -15.115 -17.543 -18.518 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.445 -18.462 -19.702 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.039 -18.747 -18.298 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.676 -17.422 -17.688 1.00 0.19 C ATOM 0 HA PRO A 67 -12.860 -16.485 -20.568 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.167 -19.196 -20.061 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.589 -18.501 -20.376 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.852 -19.220 -17.746 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.193 -19.433 -18.269 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.941 -17.381 -16.631 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.605 -17.229 -17.756 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.260 -16.709 -20.597 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.708 -16.670 -20.575 1.00 0.18 C ATOM 1035 C GLY A 68 -17.227 -15.283 -20.266 1.00 0.18 C ATOM 1036 O GLY A 68 -18.421 -15.013 -20.402 1.00 0.22 O ATOM 0 H GLY A 68 -14.838 -16.395 -21.471 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.095 -16.997 -21.540 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.079 -17.372 -19.828 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.329 -14.402 -19.848 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.687 -13.008 -19.612 1.00 0.20 C ATOM 1042 C ASP A 69 -16.622 -12.227 -20.912 1.00 0.13 C ATOM 1043 O ASP A 69 -15.833 -12.558 -21.802 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.747 -12.351 -18.596 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.025 -12.746 -17.158 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.103 -13.313 -16.880 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.175 -12.449 -16.291 1.00 1.09 O ATOM 0 H ASP A 69 -15.351 -14.625 -19.666 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.701 -12.994 -19.213 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.719 -12.615 -18.843 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.829 -11.268 -18.687 1.00 0.27 H new ATOM 1052 N THR A 70 -17.458 -11.205 -21.032 1.00 0.13 N ATOM 1053 CA THR A 70 -17.402 -10.322 -22.180 1.00 0.11 C ATOM 1054 C THR A 70 -16.213 -9.386 -22.043 1.00 0.10 C ATOM 1055 O THR A 70 -15.919 -8.898 -20.950 1.00 0.14 O ATOM 1056 CB THR A 70 -18.686 -9.483 -22.322 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.823 -10.272 -21.942 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.857 -9.000 -23.758 1.00 0.15 C ATOM 0 H THR A 70 -18.179 -10.971 -20.350 1.00 0.13 H new ATOM 0 HA THR A 70 -17.301 -10.943 -23.070 1.00 0.11 H new ATOM 0 HB THR A 70 -18.607 -8.614 -21.669 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.638 -9.735 -22.032 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.770 -8.409 -23.837 1.00 0.15 H new ATOM 0 HG22 THR A 70 -18.002 -8.386 -24.040 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.922 -9.859 -24.426 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.516 -9.153 -23.137 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.372 -8.264 -23.120 1.00 0.12 C ATOM 1068 C VAL A 71 -14.325 -7.405 -24.371 1.00 0.12 C ATOM 1069 O VAL A 71 -14.990 -7.701 -25.366 1.00 0.16 O ATOM 1070 CB VAL A 71 -13.037 -9.036 -23.000 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.906 -9.708 -21.642 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.900 -10.054 -24.121 1.00 0.24 C ATOM 0 H VAL A 71 -15.721 -9.566 -24.047 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.493 -7.630 -22.241 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.226 -8.313 -23.092 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.957 -10.242 -21.590 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.940 -8.952 -20.857 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.726 -10.412 -21.504 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.954 -10.585 -24.017 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.724 -10.766 -24.068 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.924 -9.542 -25.083 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.553 -6.337 -24.314 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.298 -5.537 -25.488 1.00 0.14 C ATOM 1084 C GLU A 72 -11.821 -5.657 -25.822 1.00 0.14 C ATOM 1085 O GLU A 72 -10.992 -5.841 -24.935 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.699 -4.069 -25.285 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.537 -3.155 -24.962 1.00 0.33 C ATOM 1088 CD GLU A 72 -12.884 -1.692 -25.106 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.898 -0.986 -24.073 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -13.187 -1.258 -26.227 1.00 0.78 O ATOM 0 H GLU A 72 -13.093 -6.006 -23.466 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.906 -5.905 -26.314 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.192 -3.709 -26.188 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.430 -4.010 -24.478 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -12.204 -3.346 -23.942 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -11.701 -3.392 -25.620 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.507 -5.589 -27.093 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.151 -5.787 -27.563 1.00 0.08 C ATOM 1099 C PHE A 73 -9.959 -5.047 -28.867 1.00 0.07 C ATOM 1100 O PHE A 73 -10.876 -4.386 -29.351 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.839 -7.273 -27.751 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.826 -8.004 -28.608 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.587 -8.213 -29.958 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.996 -8.490 -28.057 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.501 -8.893 -30.735 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.909 -9.170 -28.828 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.664 -9.373 -30.167 1.00 0.10 C ATOM 0 H PHE A 73 -12.182 -5.395 -27.833 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.464 -5.395 -26.813 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.848 -7.371 -28.193 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.800 -7.751 -26.772 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.677 -7.840 -30.405 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.196 -8.334 -27.007 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.307 -9.050 -31.786 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.819 -9.545 -28.383 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.381 -9.907 -30.773 1.00 0.10 H new ATOM 1117 N SER A 74 -8.774 -5.141 -29.427 1.00 0.09 N ATOM 1118 CA SER A 74 -8.490 -4.480 -30.681 1.00 0.10 C ATOM 1119 C SER A 74 -7.906 -5.489 -31.649 1.00 0.12 C ATOM 1120 O SER A 74 -6.823 -6.016 -31.417 1.00 0.19 O ATOM 1121 CB SER A 74 -7.511 -3.321 -30.463 1.00 0.15 C ATOM 1122 OG SER A 74 -7.876 -2.553 -29.327 1.00 0.86 O ATOM 0 H SER A 74 -7.993 -5.667 -29.035 1.00 0.09 H new ATOM 0 HA SER A 74 -9.412 -4.071 -31.094 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.502 -3.712 -30.333 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.494 -2.684 -31.347 1.00 0.15 H new ATOM 0 HG SER A 74 -7.625 -3.035 -28.512 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.635 -5.771 -32.712 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.224 -6.793 -33.656 1.00 0.19 C ATOM 1130 C VAL A 75 -7.239 -6.235 -34.685 1.00 0.20 C ATOM 1131 O VAL A 75 -7.619 -5.555 -35.640 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.456 -7.443 -34.347 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.329 -6.414 -35.052 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.033 -8.532 -35.318 1.00 0.36 C ATOM 0 H VAL A 75 -9.514 -5.308 -32.943 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.707 -7.573 -33.097 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.054 -7.896 -33.556 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.177 -6.915 -35.520 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.693 -5.687 -34.326 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.744 -5.902 -35.816 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.917 -8.967 -35.785 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.390 -8.104 -36.087 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.488 -9.308 -34.780 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.964 -6.497 -34.458 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.924 -6.079 -35.378 1.00 0.26 C ATOM 1146 C VAL A 76 -4.393 -7.293 -36.136 1.00 0.25 C ATOM 1147 O VAL A 76 -3.959 -8.268 -35.526 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.771 -5.348 -34.639 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.153 -6.219 -33.543 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.709 -4.880 -35.625 1.00 0.42 C ATOM 0 H VAL A 76 -5.624 -7.001 -33.639 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.355 -5.372 -36.087 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.200 -4.472 -34.152 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.350 -5.670 -33.051 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.917 -6.479 -32.810 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.751 -7.130 -33.986 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.911 -4.370 -35.085 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.298 -5.741 -36.153 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -3.157 -4.194 -36.343 1.00 0.42 H new ATOM 1160 N THR A 77 -4.478 -7.254 -37.456 1.00 0.34 N ATOM 1161 CA THR A 77 -4.037 -8.371 -38.280 1.00 0.38 C ATOM 1162 C THR A 77 -2.522 -8.357 -38.462 1.00 0.44 C ATOM 1163 O THR A 77 -1.942 -7.335 -38.837 1.00 0.56 O ATOM 1164 CB THR A 77 -4.712 -8.331 -39.662 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.130 -8.177 -39.499 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.417 -9.606 -40.447 1.00 0.62 C ATOM 0 H THR A 77 -4.848 -6.462 -37.981 1.00 0.34 H new ATOM 0 HA THR A 77 -4.324 -9.287 -37.764 1.00 0.38 H new ATOM 0 HB THR A 77 -4.313 -7.484 -40.220 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.458 -8.835 -38.851 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.905 -9.555 -41.421 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.341 -9.707 -40.585 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.795 -10.468 -39.897 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.889 -9.490 -38.185 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.452 -9.621 -38.379 1.00 0.57 C ATOM 1176 C ASN A 78 -0.139 -9.731 -39.861 1.00 0.66 C ATOM 1177 O ASN A 78 -0.522 -10.698 -40.506 1.00 0.70 O ATOM 1178 CB ASN A 78 0.078 -10.844 -37.624 1.00 0.64 C ATOM 1179 CG ASN A 78 0.254 -10.573 -36.141 1.00 1.10 C ATOM 1180 OD1 ASN A 78 0.570 -9.453 -35.736 1.00 1.82 O ATOM 1181 ND2 ASN A 78 0.042 -11.592 -35.320 1.00 1.54 N ATOM 0 H ASN A 78 -2.347 -10.328 -37.827 1.00 0.44 H new ATOM 0 HA ASN A 78 0.042 -8.734 -37.982 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.610 -11.678 -37.760 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.034 -11.146 -38.052 1.00 0.64 H new ATOM 0 HD21 ASN A 78 0.139 -11.464 -34.313 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -0.218 -12.504 -35.696 1.00 1.54 H new ATOM 1188 N GLN A 79 0.556 -8.733 -40.392 1.00 0.79 N ATOM 1189 CA GLN A 79 0.809 -8.649 -41.829 1.00 0.91 C ATOM 1190 C GLN A 79 1.668 -9.815 -42.325 1.00 0.94 C ATOM 1191 O GLN A 79 1.613 -10.181 -43.496 1.00 1.06 O ATOM 1192 CB GLN A 79 1.466 -7.307 -42.183 1.00 1.09 C ATOM 1193 CG GLN A 79 2.802 -7.066 -41.489 1.00 1.18 C ATOM 1194 CD GLN A 79 3.376 -5.685 -41.764 1.00 1.43 C ATOM 1195 OE1 GLN A 79 3.131 -4.734 -41.018 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.148 -5.565 -42.833 1.00 1.90 N ATOM 0 H GLN A 79 0.956 -7.968 -39.849 1.00 0.79 H new ATOM 0 HA GLN A 79 -0.154 -8.714 -42.335 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.616 -7.261 -43.262 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.782 -6.500 -41.922 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.674 -7.192 -40.414 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.516 -7.822 -41.816 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.327 -6.375 -43.426 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.563 -4.662 -43.063 1.00 1.90 H new ATOM 1205 N ARG A 80 2.456 -10.400 -41.432 1.00 0.93 N ATOM 1206 CA ARG A 80 3.300 -11.530 -41.797 1.00 1.03 C ATOM 1207 C ARG A 80 2.573 -12.858 -41.587 1.00 1.02 C ATOM 1208 O ARG A 80 2.605 -13.736 -42.447 1.00 1.21 O ATOM 1209 CB ARG A 80 4.608 -11.515 -40.991 1.00 1.18 C ATOM 1210 CG ARG A 80 5.446 -12.771 -41.172 1.00 1.35 C ATOM 1211 CD ARG A 80 5.875 -12.956 -42.617 1.00 1.67 C ATOM 1212 NE ARG A 80 6.113 -14.365 -42.929 1.00 2.41 N ATOM 1213 CZ ARG A 80 6.132 -14.856 -44.166 1.00 3.02 C ATOM 1214 NH1 ARG A 80 5.995 -14.044 -45.205 1.00 3.01 N ATOM 1215 NH2 ARG A 80 6.290 -16.159 -44.370 1.00 3.99 N ATOM 0 H ARG A 80 2.528 -10.113 -40.456 1.00 0.93 H new ATOM 0 HA ARG A 80 3.536 -11.433 -42.857 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.198 -10.648 -41.287 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.373 -11.394 -39.934 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.328 -12.715 -40.535 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.874 -13.640 -40.848 1.00 1.35 H new ATOM 0 HD2 ARG A 80 5.105 -12.560 -43.280 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.783 -12.382 -42.805 1.00 1.67 H new ATOM 0 HE ARG A 80 6.274 -15.008 -42.154 1.00 2.41 H new ATOM 0 HH11 ARG A 80 5.875 -13.042 -45.057 1.00 3.01 H new ATOM 0 HH12 ARG A 80 6.010 -14.421 -46.153 1.00 3.01 H new ATOM 0 HH21 ARG A 80 6.398 -16.790 -43.576 1.00 3.99 H new ATOM 0 HH22 ARG A 80 6.304 -16.528 -45.321 1.00 3.99 H new ATOM 1229 N ASN A 81 1.915 -13.001 -40.447 1.00 0.91 N ATOM 1230 CA ASN A 81 1.289 -14.271 -40.088 1.00 1.01 C ATOM 1231 C ASN A 81 -0.114 -14.401 -40.676 1.00 0.87 C ATOM 1232 O ASN A 81 -0.627 -15.507 -40.834 1.00 1.04 O ATOM 1233 CB ASN A 81 1.243 -14.440 -38.565 1.00 1.16 C ATOM 1234 CG ASN A 81 2.597 -14.792 -37.972 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.960 -15.962 -37.886 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.346 -13.786 -37.543 1.00 2.21 N ATOM 0 H ASN A 81 1.799 -12.260 -39.756 1.00 0.91 H new ATOM 0 HA ASN A 81 1.902 -15.065 -40.515 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.882 -13.517 -38.112 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.526 -15.221 -38.312 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.258 -13.971 -37.125 1.00 2.21 H new ATOM 0 HD22 ASN A 81 3.011 -12.827 -37.631 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.734 -13.270 -40.980 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.073 -13.273 -41.549 1.00 0.69 C ATOM 1245 C GLY A 82 -3.158 -13.337 -40.494 1.00 0.52 C ATOM 1246 O GLY A 82 -4.303 -12.970 -40.745 1.00 0.58 O ATOM 0 H GLY A 82 -0.333 -12.342 -40.843 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.210 -12.374 -42.150 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.175 -14.125 -42.221 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.801 -13.805 -39.308 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.756 -13.913 -38.223 1.00 0.39 C ATOM 1252 C LYS A 83 -3.643 -12.726 -37.288 1.00 0.35 C ATOM 1253 O LYS A 83 -2.553 -12.220 -37.027 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.569 -15.223 -37.458 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.165 -15.456 -36.925 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.948 -16.923 -36.579 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.504 -17.218 -36.206 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.252 -18.683 -36.073 1.00 2.42 N ATOM 0 H LYS A 83 -1.858 -14.115 -39.075 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.757 -13.914 -38.655 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.268 -15.242 -36.621 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.835 -16.052 -38.114 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.433 -15.142 -37.669 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.002 -14.842 -36.039 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.599 -17.199 -35.750 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.235 -17.541 -37.429 1.00 1.01 H new ATOM 0 HE2 LYS A 83 0.159 -16.803 -36.965 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.263 -16.721 -35.266 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.744 -18.842 -35.818 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.866 -19.075 -35.331 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.457 -19.154 -36.977 1.00 2.42 H new ATOM 1272 N SER A 84 -4.783 -12.287 -36.798 1.00 0.31 N ATOM 1273 CA SER A 84 -4.861 -11.102 -35.972 1.00 0.25 C ATOM 1274 C SER A 84 -4.577 -11.412 -34.504 1.00 0.24 C ATOM 1275 O SER A 84 -4.303 -12.557 -34.134 1.00 0.30 O ATOM 1276 CB SER A 84 -6.248 -10.494 -36.129 1.00 0.27 C ATOM 1277 OG SER A 84 -6.606 -10.407 -37.499 1.00 1.08 O ATOM 0 H SER A 84 -5.681 -12.742 -36.961 1.00 0.31 H new ATOM 0 HA SER A 84 -4.099 -10.394 -36.298 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.979 -11.101 -35.595 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.268 -9.501 -35.679 1.00 0.27 H new ATOM 0 HG SER A 84 -7.501 -10.015 -37.579 1.00 1.08 H new ATOM 1283 N SER A 85 -4.619 -10.376 -33.681 1.00 0.20 N ATOM 1284 CA SER A 85 -4.407 -10.508 -32.252 1.00 0.20 C ATOM 1285 C SER A 85 -5.252 -9.472 -31.514 1.00 0.18 C ATOM 1286 O SER A 85 -5.652 -8.467 -32.107 1.00 0.26 O ATOM 1287 CB SER A 85 -2.922 -10.322 -31.928 1.00 0.25 C ATOM 1288 OG SER A 85 -2.122 -11.195 -32.715 1.00 0.87 O ATOM 0 H SER A 85 -4.801 -9.420 -33.987 1.00 0.20 H new ATOM 0 HA SER A 85 -4.709 -11.504 -31.928 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.631 -9.288 -32.114 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.749 -10.517 -30.870 1.00 0.25 H new ATOM 0 HG SER A 85 -2.001 -12.044 -32.241 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.543 -9.731 -30.244 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.351 -8.832 -29.441 1.00 0.12 C ATOM 1296 C ALA A 86 -5.472 -7.950 -28.565 1.00 0.13 C ATOM 1297 O ALA A 86 -4.685 -8.444 -27.760 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.326 -9.628 -28.588 1.00 0.13 C ATOM 0 H ALA A 86 -5.226 -10.565 -29.749 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.917 -8.185 -30.111 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.928 -8.944 -27.989 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -7.979 -10.215 -29.234 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.771 -10.296 -27.929 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.614 -6.649 -28.726 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.848 -5.693 -27.943 1.00 0.17 C ATOM 1306 C CYS A 87 -5.778 -4.865 -27.073 1.00 0.17 C ATOM 1307 O CYS A 87 -6.876 -4.503 -27.501 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.058 -4.773 -28.876 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.802 -5.610 -29.870 1.00 0.68 S ATOM 0 H CYS A 87 -6.256 -6.226 -29.396 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.155 -6.237 -27.302 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.756 -4.269 -29.545 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.574 -4.000 -28.279 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.196 -4.742 -30.624 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.330 -4.582 -25.856 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.117 -3.829 -24.882 1.00 0.20 C ATOM 1317 C ASN A 88 -7.393 -4.588 -24.539 1.00 0.18 C ATOM 1318 O ASN A 88 -8.494 -4.172 -24.898 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.459 -2.410 -25.384 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.228 -1.564 -25.669 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.206 -2.065 -26.131 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.316 -0.269 -25.406 1.00 1.60 N ATOM 0 H ASN A 88 -4.412 -4.867 -25.515 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.508 -3.719 -23.985 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -7.057 -2.487 -26.292 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.074 -1.906 -24.638 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.521 0.343 -25.587 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -6.179 0.116 -25.023 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.224 -5.718 -23.868 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.342 -6.564 -23.485 1.00 0.15 C ATOM 1331 C VAL A 89 -8.956 -6.083 -22.175 1.00 0.19 C ATOM 1332 O VAL A 89 -8.400 -6.286 -21.095 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.904 -8.039 -23.346 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.066 -8.911 -22.899 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.339 -8.546 -24.663 1.00 0.14 C ATOM 0 H VAL A 89 -6.313 -6.072 -23.576 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.091 -6.498 -24.275 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.126 -8.094 -22.584 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.732 -9.945 -22.809 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.432 -8.562 -21.933 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.869 -8.852 -23.634 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.034 -9.587 -24.552 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.101 -8.472 -25.438 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.476 -7.943 -24.945 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.096 -5.427 -22.282 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.769 -4.872 -21.121 1.00 0.16 C ATOM 1347 C LEU A 90 -12.022 -5.660 -20.784 1.00 0.11 C ATOM 1348 O LEU A 90 -12.688 -6.197 -21.665 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.124 -3.402 -21.362 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.113 -2.369 -20.847 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -8.751 -2.553 -21.499 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -10.630 -0.961 -21.094 1.00 1.12 C ATOM 0 H LEU A 90 -10.578 -5.264 -23.166 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.085 -4.940 -20.275 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.252 -3.252 -22.434 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.088 -3.201 -20.895 1.00 0.26 H new ATOM 0 HG LEU A 90 -9.993 -2.522 -19.774 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.058 -1.805 -21.112 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -8.372 -3.550 -21.274 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -8.846 -2.436 -22.579 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -9.904 -0.237 -20.724 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -10.780 -0.811 -22.163 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -11.577 -0.824 -20.572 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.333 -5.719 -19.499 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.481 -6.464 -19.019 1.00 0.18 C ATOM 1366 C LYS A 91 -14.778 -5.707 -19.267 1.00 0.18 C ATOM 1367 O LYS A 91 -14.903 -4.538 -18.915 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.322 -6.781 -17.532 1.00 0.27 C ATOM 1369 CG LYS A 91 -12.880 -8.210 -17.270 1.00 0.45 C ATOM 1370 CD LYS A 91 -13.948 -9.203 -17.704 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.157 -9.163 -16.781 1.00 0.71 C ATOM 1372 NZ LYS A 91 -14.925 -9.943 -15.535 1.00 1.33 N ATOM 0 H LYS A 91 -11.799 -5.254 -18.765 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.532 -7.399 -19.576 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.594 -6.097 -17.097 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.270 -6.602 -17.025 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -11.953 -8.411 -17.807 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.669 -8.340 -16.209 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.261 -8.980 -18.724 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -13.529 -10.209 -17.712 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.385 -8.128 -16.525 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.027 -9.562 -17.303 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.373 -9.457 -14.732 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.337 -10.893 -15.638 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -13.903 -10.026 -15.362 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.738 -6.386 -19.872 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.999 -5.768 -20.240 1.00 0.18 C ATOM 1388 C ILE A 92 -18.174 -6.434 -19.536 1.00 0.27 C ATOM 1389 O ILE A 92 -18.261 -7.659 -19.480 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.216 -5.848 -21.770 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.101 -5.102 -22.511 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.581 -5.294 -22.155 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.048 -3.623 -22.200 1.00 0.16 C ATOM 0 H ILE A 92 -15.666 -7.373 -20.120 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.950 -4.725 -19.929 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.183 -6.897 -22.064 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.142 -5.553 -22.255 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.239 -5.234 -23.584 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.709 -5.361 -23.235 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.361 -5.872 -21.660 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.651 -4.251 -21.846 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.235 -3.162 -22.761 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.992 -3.158 -22.482 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.879 -3.481 -21.133 1.00 0.16 H new