USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 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 34 THR OG1 : rot -74:sc= -3.8! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -19.7! C(o=-24!,f=-24!) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 ASN : amide:sc= -4.88! C(o=-4.9!,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 39 MET CE :methyl 129:sc= -5.49! (180deg=-11.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -0.0277 (180deg=-0.0277) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.0749 F(o=-1.8!,f=0.075) USER MOD Single : A 51 THR OG1 : rot -137:sc= -1.6! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 124:sc= -3.78! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 77:sc= 1.26 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 128:sc= 0.322 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0956 X(o=-0.096,f=0) USER MOD Single : A 79 SER OG : rot 33:sc= -6.46! USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= -0.0526 (180deg=-1.07) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.109 F(o=-0.76,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -2.218 -1.985 -5.393 1.00 0.00 N ATOM 354 CA LEU A 21 -1.738 -1.188 -4.226 1.00 0.00 C ATOM 355 C LEU A 21 -0.822 -0.056 -4.699 1.00 0.00 C ATOM 356 O LEU A 21 0.103 -0.268 -5.458 1.00 0.00 O ATOM 357 CB LEU A 21 -0.961 -2.182 -3.362 1.00 0.00 C ATOM 358 CG LEU A 21 -0.974 -1.714 -1.906 1.00 0.00 C ATOM 359 CD1 LEU A 21 -2.375 -1.904 -1.320 1.00 0.00 C ATOM 360 CD2 LEU A 21 0.031 -2.538 -1.097 1.00 0.00 C ATOM 0 HA LEU A 21 -2.557 -0.724 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.407 -3.174 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.066 -2.265 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.701 -0.660 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.384 -1.570 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.092 -1.319 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.648 -2.958 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.023 -2.205 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.243 -3.592 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.030 -2.404 -1.513 1.00 0.00 H new ATOM 372 N ILE A 22 -1.072 1.145 -4.255 1.00 0.00 N ATOM 373 CA ILE A 22 -0.216 2.291 -4.677 1.00 0.00 C ATOM 374 C ILE A 22 0.187 3.126 -3.460 1.00 0.00 C ATOM 375 O ILE A 22 -0.641 3.511 -2.658 1.00 0.00 O ATOM 376 CB ILE A 22 -1.092 3.110 -5.624 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.181 2.400 -6.977 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.477 4.498 -5.818 1.00 0.00 C ATOM 379 CD1 ILE A 22 0.199 2.384 -7.637 1.00 0.00 C ATOM 0 H ILE A 22 -1.832 1.383 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 22 0.707 1.964 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.090 3.211 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.543 1.381 -6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.898 2.910 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.102 5.082 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.412 5.005 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.521 4.397 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.136 1.878 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.543 3.408 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.903 1.855 -6.995 1.00 0.00 H new ATOM 391 N ALA A 23 1.453 3.408 -3.312 1.00 0.00 N ATOM 392 CA ALA A 23 1.903 4.216 -2.142 1.00 0.00 C ATOM 393 C ALA A 23 2.714 5.428 -2.612 1.00 0.00 C ATOM 394 O ALA A 23 3.385 5.387 -3.624 1.00 0.00 O ATOM 395 CB ALA A 23 2.782 3.270 -1.324 1.00 0.00 C ATOM 0 H ALA A 23 2.194 3.115 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 23 1.065 4.602 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.154 3.791 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.196 2.405 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.624 2.939 -1.932 1.00 0.00 H new ATOM 401 N LYS A 24 2.658 6.507 -1.878 1.00 0.00 N ATOM 402 CA LYS A 24 3.425 7.724 -2.273 1.00 0.00 C ATOM 403 C LYS A 24 4.484 8.039 -1.213 1.00 0.00 C ATOM 404 O LYS A 24 4.236 7.939 -0.027 1.00 0.00 O ATOM 405 CB LYS A 24 2.386 8.844 -2.349 1.00 0.00 C ATOM 406 CG LYS A 24 2.873 9.927 -3.314 1.00 0.00 C ATOM 407 CD LYS A 24 2.881 9.374 -4.741 1.00 0.00 C ATOM 408 CE LYS A 24 4.146 9.844 -5.463 1.00 0.00 C ATOM 409 NZ LYS A 24 3.719 10.078 -6.871 1.00 0.00 N ATOM 0 H LYS A 24 2.113 6.598 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 24 3.949 7.596 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.429 8.445 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.222 9.271 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.223 10.800 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.874 10.255 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.844 8.285 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.995 9.713 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.542 10.755 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.934 9.093 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.533 10.403 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.353 9.192 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.973 10.802 -6.892 1.00 0.00 H new ATOM 423 N VAL A 25 5.664 8.410 -1.626 1.00 0.00 N ATOM 424 CA VAL A 25 6.736 8.720 -0.637 1.00 0.00 C ATOM 425 C VAL A 25 6.745 10.217 -0.311 1.00 0.00 C ATOM 426 O VAL A 25 6.724 11.056 -1.189 1.00 0.00 O ATOM 427 CB VAL A 25 8.039 8.314 -1.325 1.00 0.00 C ATOM 428 CG1 VAL A 25 7.865 6.942 -1.980 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.394 9.347 -2.396 1.00 0.00 C ATOM 0 H VAL A 25 5.933 8.512 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 25 6.590 8.193 0.306 1.00 0.00 H new ATOM 0 HB VAL A 25 8.839 8.266 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.794 6.653 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.612 6.205 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.065 6.990 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.323 9.058 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.594 9.395 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.518 10.325 -1.931 1.00 0.00 H new ATOM 439 N GLU A 26 6.777 10.555 0.949 1.00 0.00 N ATOM 440 CA GLU A 26 6.788 11.993 1.341 1.00 0.00 C ATOM 441 C GLU A 26 7.792 12.220 2.475 1.00 0.00 C ATOM 442 O GLU A 26 8.305 11.285 3.056 1.00 0.00 O ATOM 443 CB GLU A 26 5.365 12.284 1.818 1.00 0.00 C ATOM 444 CG GLU A 26 4.647 13.152 0.783 1.00 0.00 C ATOM 445 CD GLU A 26 4.044 14.378 1.471 1.00 0.00 C ATOM 446 OE1 GLU A 26 3.194 14.193 2.328 1.00 0.00 O ATOM 447 OE2 GLU A 26 4.443 15.480 1.132 1.00 0.00 O ATOM 0 H GLU A 26 6.796 9.895 1.726 1.00 0.00 H new ATOM 0 HA GLU A 26 7.082 12.645 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.822 11.351 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.390 12.794 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.346 13.465 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.863 12.576 0.291 1.00 0.00 H new ATOM 511 N ILE A 32 12.164 10.850 5.194 1.00 0.00 N ATOM 512 CA ILE A 32 11.639 9.793 4.268 1.00 0.00 C ATOM 513 C ILE A 32 10.388 9.151 4.885 1.00 0.00 C ATOM 514 O ILE A 32 10.479 8.315 5.762 1.00 0.00 O ATOM 515 CB ILE A 32 12.762 8.755 4.116 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.495 8.989 2.790 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.174 7.340 4.122 1.00 0.00 C ATOM 518 CD1 ILE A 32 12.658 8.434 1.634 1.00 0.00 C ATOM 0 HA ILE A 32 11.359 10.203 3.298 1.00 0.00 H new ATOM 0 HB ILE A 32 13.457 8.859 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.673 10.055 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.471 8.503 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.978 6.612 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.652 7.167 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.474 7.233 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.181 8.602 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.503 7.365 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.693 8.940 1.608 1.00 0.00 H new ATOM 530 N LYS A 33 9.225 9.539 4.439 1.00 0.00 N ATOM 531 CA LYS A 33 7.976 8.953 5.006 1.00 0.00 C ATOM 532 C LYS A 33 7.060 8.465 3.879 1.00 0.00 C ATOM 533 O LYS A 33 7.097 8.971 2.775 1.00 0.00 O ATOM 534 CB LYS A 33 7.314 10.099 5.774 1.00 0.00 C ATOM 535 CG LYS A 33 6.499 9.531 6.937 1.00 0.00 C ATOM 536 CD LYS A 33 6.903 10.233 8.234 1.00 0.00 C ATOM 537 CE LYS A 33 6.604 11.730 8.119 1.00 0.00 C ATOM 538 NZ LYS A 33 7.424 12.369 9.186 1.00 0.00 N ATOM 0 H LYS A 33 9.085 10.236 3.707 1.00 0.00 H new ATOM 0 HA LYS A 33 8.177 8.094 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.073 10.786 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.668 10.671 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.434 9.671 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.669 8.458 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.358 9.806 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.964 10.077 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.872 12.112 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.543 11.933 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.273 13.398 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.143 11.991 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.430 12.165 9.020 1.00 0.00 H new ATOM 552 N THR A 34 6.240 7.484 4.146 1.00 0.00 N ATOM 553 CA THR A 34 5.328 6.969 3.082 1.00 0.00 C ATOM 554 C THR A 34 3.874 7.319 3.407 1.00 0.00 C ATOM 555 O THR A 34 3.387 7.042 4.482 1.00 0.00 O ATOM 556 CB THR A 34 5.529 5.450 3.089 1.00 0.00 C ATOM 557 OG1 THR A 34 6.438 5.091 2.061 1.00 0.00 O ATOM 558 CG2 THR A 34 4.192 4.742 2.853 1.00 0.00 C ATOM 0 H THR A 34 6.162 7.018 5.050 1.00 0.00 H new ATOM 0 HA THR A 34 5.546 7.407 2.108 1.00 0.00 H new ATOM 0 HB THR A 34 5.927 5.148 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.992 5.159 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.346 3.663 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.492 5.014 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.785 5.045 1.888 1.00 0.00 H new ATOM 566 N VAL A 35 3.172 7.910 2.480 1.00 0.00 N ATOM 567 CA VAL A 35 1.746 8.254 2.740 1.00 0.00 C ATOM 568 C VAL A 35 0.850 7.497 1.757 1.00 0.00 C ATOM 569 O VAL A 35 0.926 7.688 0.560 1.00 0.00 O ATOM 570 CB VAL A 35 1.650 9.761 2.511 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.360 10.126 1.206 1.00 0.00 C ATOM 572 CG2 VAL A 35 0.178 10.169 2.419 1.00 0.00 C ATOM 0 H VAL A 35 3.522 8.169 1.558 1.00 0.00 H new ATOM 0 HA VAL A 35 1.425 7.982 3.746 1.00 0.00 H new ATOM 0 HB VAL A 35 2.123 10.285 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.291 11.202 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.409 9.835 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.887 9.602 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.108 11.244 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.294 9.644 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.330 9.909 3.348 1.00 0.00 H new ATOM 582 N ILE A 36 0.003 6.638 2.253 1.00 0.00 N ATOM 583 CA ILE A 36 -0.895 5.868 1.344 1.00 0.00 C ATOM 584 C ILE A 36 -2.260 6.555 1.243 1.00 0.00 C ATOM 585 O ILE A 36 -3.006 6.617 2.200 1.00 0.00 O ATOM 586 CB ILE A 36 -1.024 4.486 1.990 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.320 4.086 2.612 1.00 0.00 C ATOM 588 CG2 ILE A 36 -1.417 3.461 0.924 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.334 2.582 2.895 1.00 0.00 C ATOM 0 H ILE A 36 -0.107 6.435 3.247 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.502 5.803 0.329 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.789 4.516 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.135 4.346 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.483 4.641 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.509 2.476 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.371 3.745 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.651 3.430 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.291 2.304 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.471 2.335 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.192 2.035 1.963 1.00 0.00 H new ATOM 601 N VAL A 37 -2.589 7.074 0.092 1.00 0.00 N ATOM 602 CA VAL A 37 -3.905 7.759 -0.069 1.00 0.00 C ATOM 603 C VAL A 37 -4.912 6.828 -0.750 1.00 0.00 C ATOM 604 O VAL A 37 -6.100 7.080 -0.750 1.00 0.00 O ATOM 605 CB VAL A 37 -3.611 8.971 -0.954 1.00 0.00 C ATOM 606 CG1 VAL A 37 -3.359 8.505 -2.389 1.00 0.00 C ATOM 607 CG2 VAL A 37 -4.812 9.920 -0.932 1.00 0.00 C ATOM 0 H VAL A 37 -2.005 7.054 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.340 8.046 0.888 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.729 9.490 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.149 9.368 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.506 7.827 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.242 7.987 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.604 10.785 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.693 9.400 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.995 10.252 0.090 1.00 0.00 H new ATOM 617 N ASN A 38 -4.447 5.757 -1.332 1.00 0.00 N ATOM 618 CA ASN A 38 -5.382 4.816 -2.014 1.00 0.00 C ATOM 619 C ASN A 38 -5.462 3.496 -1.242 1.00 0.00 C ATOM 620 O ASN A 38 -6.001 2.519 -1.721 1.00 0.00 O ATOM 621 CB ASN A 38 -4.778 4.591 -3.399 1.00 0.00 C ATOM 622 CG ASN A 38 -4.722 5.919 -4.155 1.00 0.00 C ATOM 623 OD1 ASN A 38 -3.682 6.307 -4.649 1.00 0.00 O ATOM 624 ND2 ASN A 38 -5.805 6.638 -4.268 1.00 0.00 N ATOM 0 H ASN A 38 -3.462 5.492 -1.365 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.396 5.212 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.776 4.171 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.376 3.869 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.778 7.525 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.678 6.313 -3.854 1.00 0.00 H new ATOM 631 N MET A 39 -4.931 3.459 -0.050 1.00 0.00 N ATOM 632 CA MET A 39 -4.979 2.200 0.747 1.00 0.00 C ATOM 633 C MET A 39 -6.431 1.804 1.026 1.00 0.00 C ATOM 634 O MET A 39 -6.810 0.659 0.884 1.00 0.00 O ATOM 635 CB MET A 39 -4.254 2.529 2.053 1.00 0.00 C ATOM 636 CG MET A 39 -3.542 1.279 2.572 1.00 0.00 C ATOM 637 SD MET A 39 -3.176 1.480 4.333 1.00 0.00 S ATOM 638 CE MET A 39 -1.569 0.649 4.328 1.00 0.00 C ATOM 0 H MET A 39 -4.467 4.245 0.406 1.00 0.00 H new ATOM 0 HA MET A 39 -4.517 1.363 0.223 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.532 3.329 1.889 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.966 2.889 2.796 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.168 0.400 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.620 1.115 2.014 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.827 1.288 4.807 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.644 -0.292 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.266 0.449 3.300 1.00 0.00 H new ATOM 648 N VAL A 40 -7.246 2.742 1.424 1.00 0.00 N ATOM 649 CA VAL A 40 -8.673 2.415 1.712 1.00 0.00 C ATOM 650 C VAL A 40 -9.422 2.101 0.414 1.00 0.00 C ATOM 651 O VAL A 40 -10.134 1.122 0.320 1.00 0.00 O ATOM 652 CB VAL A 40 -9.242 3.675 2.367 1.00 0.00 C ATOM 653 CG1 VAL A 40 -10.673 3.403 2.835 1.00 0.00 C ATOM 654 CG2 VAL A 40 -8.377 4.059 3.568 1.00 0.00 C ATOM 0 H VAL A 40 -6.987 3.719 1.562 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.773 1.539 2.353 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.245 4.492 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.080 4.300 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.290 3.128 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.671 2.587 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.781 4.957 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.375 3.243 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.357 4.251 3.235 1.00 0.00 H new ATOM 664 N ASP A 41 -9.269 2.925 -0.585 1.00 0.00 N ATOM 665 CA ASP A 41 -9.977 2.676 -1.873 1.00 0.00 C ATOM 666 C ASP A 41 -9.492 1.369 -2.509 1.00 0.00 C ATOM 667 O ASP A 41 -10.277 0.528 -2.895 1.00 0.00 O ATOM 668 CB ASP A 41 -9.614 3.868 -2.760 1.00 0.00 C ATOM 669 CG ASP A 41 -10.134 3.628 -4.179 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.274 3.212 -4.308 1.00 0.00 O ATOM 671 OD2 ASP A 41 -9.383 3.862 -5.112 1.00 0.00 O ATOM 0 H ASP A 41 -8.684 3.761 -0.566 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.054 2.578 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.046 4.782 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.533 4.006 -2.776 1.00 0.00 H new ATOM 676 N VAL A 42 -8.204 1.196 -2.622 1.00 0.00 N ATOM 677 CA VAL A 42 -7.672 -0.055 -3.239 1.00 0.00 C ATOM 678 C VAL A 42 -7.948 -1.258 -2.333 1.00 0.00 C ATOM 679 O VAL A 42 -8.376 -2.301 -2.786 1.00 0.00 O ATOM 680 CB VAL A 42 -6.168 0.178 -3.373 1.00 0.00 C ATOM 681 CG1 VAL A 42 -5.474 -1.144 -3.702 1.00 0.00 C ATOM 682 CG2 VAL A 42 -5.906 1.184 -4.497 1.00 0.00 C ATOM 0 H VAL A 42 -7.497 1.864 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.141 -0.269 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.777 0.570 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.401 -0.978 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.660 -1.861 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.865 -1.537 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.833 1.351 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.298 0.791 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.400 2.127 -4.264 1.00 0.00 H new ATOM 692 N ALA A 43 -7.701 -1.126 -1.058 1.00 0.00 N ATOM 693 CA ALA A 43 -7.944 -2.268 -0.132 1.00 0.00 C ATOM 694 C ALA A 43 -9.441 -2.567 -0.032 1.00 0.00 C ATOM 695 O ALA A 43 -9.854 -3.707 0.023 1.00 0.00 O ATOM 696 CB ALA A 43 -7.398 -1.808 1.220 1.00 0.00 C ATOM 0 H ALA A 43 -7.342 -0.278 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.463 -3.183 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.541 -2.598 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.335 -1.586 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.929 -0.912 1.541 1.00 0.00 H new ATOM 702 N LYS A 44 -10.254 -1.550 -0.008 1.00 0.00 N ATOM 703 CA LYS A 44 -11.726 -1.773 0.091 1.00 0.00 C ATOM 704 C LYS A 44 -12.251 -2.431 -1.189 1.00 0.00 C ATOM 705 O LYS A 44 -13.081 -3.317 -1.146 1.00 0.00 O ATOM 706 CB LYS A 44 -12.329 -0.379 0.261 1.00 0.00 C ATOM 707 CG LYS A 44 -12.064 0.123 1.681 1.00 0.00 C ATOM 708 CD LYS A 44 -13.330 -0.040 2.525 1.00 0.00 C ATOM 709 CE LYS A 44 -13.203 -1.290 3.398 1.00 0.00 C ATOM 710 NZ LYS A 44 -13.812 -0.910 4.702 1.00 0.00 N ATOM 0 H LYS A 44 -9.965 -0.573 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.987 -2.434 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.895 0.308 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.402 -0.409 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.242 -0.436 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.762 1.170 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.479 0.840 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.203 -0.122 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.722 -2.138 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.160 -1.583 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.763 -1.717 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.293 -0.105 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.806 -0.643 4.556 1.00 0.00 H new ATOM 724 N ALA A 45 -11.776 -2.002 -2.325 1.00 0.00 N ATOM 725 CA ALA A 45 -12.251 -2.600 -3.606 1.00 0.00 C ATOM 726 C ALA A 45 -11.724 -4.029 -3.755 1.00 0.00 C ATOM 727 O ALA A 45 -12.227 -4.806 -4.543 1.00 0.00 O ATOM 728 CB ALA A 45 -11.678 -1.699 -4.700 1.00 0.00 C ATOM 0 H ALA A 45 -11.079 -1.263 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.338 -2.659 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.984 -2.073 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.051 -0.684 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.590 -1.697 -4.637 1.00 0.00 H new ATOM 734 N LEU A 46 -10.712 -4.383 -3.011 1.00 0.00 N ATOM 735 CA LEU A 46 -10.157 -5.763 -3.120 1.00 0.00 C ATOM 736 C LEU A 46 -10.310 -6.510 -1.791 1.00 0.00 C ATOM 737 O LEU A 46 -10.074 -7.699 -1.709 1.00 0.00 O ATOM 738 CB LEU A 46 -8.678 -5.567 -3.456 1.00 0.00 C ATOM 739 CG LEU A 46 -7.948 -6.907 -3.354 1.00 0.00 C ATOM 740 CD1 LEU A 46 -6.917 -7.014 -4.479 1.00 0.00 C ATOM 741 CD2 LEU A 46 -7.237 -6.998 -2.002 1.00 0.00 C ATOM 0 H LEU A 46 -10.246 -3.779 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.675 -6.355 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.574 -5.160 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.232 -4.845 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.668 -7.720 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.397 -7.969 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.422 -6.948 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.197 -6.201 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.716 -7.953 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.517 -6.184 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.970 -6.922 -1.199 1.00 0.00 H new ATOM 753 N ASN A 47 -10.703 -5.826 -0.750 1.00 0.00 N ATOM 754 CA ASN A 47 -10.868 -6.503 0.570 1.00 0.00 C ATOM 755 C ASN A 47 -11.033 -5.463 1.685 1.00 0.00 C ATOM 756 O ASN A 47 -11.519 -4.373 1.463 1.00 0.00 O ATOM 757 CB ASN A 47 -9.578 -7.302 0.773 1.00 0.00 C ATOM 758 CG ASN A 47 -9.911 -8.793 0.858 1.00 0.00 C ATOM 759 OD1 ASN A 47 -10.045 -9.354 2.029 1.00 0.00 O flip ATOM 760 ND2 ASN A 47 -10.050 -9.455 -0.150 1.00 0.00 N flip ATOM 0 H ASN A 47 -10.917 -4.829 -0.756 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.752 -7.140 0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.890 -7.118 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.076 -6.978 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.946 -9.018 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.271 -10.448 -0.081 1.00 0.00 H new ATOM 767 N ARG A 48 -10.632 -5.795 2.883 1.00 0.00 N ATOM 768 CA ARG A 48 -10.763 -4.828 4.010 1.00 0.00 C ATOM 769 C ARG A 48 -9.507 -3.955 4.104 1.00 0.00 C ATOM 770 O ARG A 48 -8.522 -4.213 3.441 1.00 0.00 O ATOM 771 CB ARG A 48 -10.915 -5.700 5.259 1.00 0.00 C ATOM 772 CG ARG A 48 -9.543 -6.226 5.688 1.00 0.00 C ATOM 773 CD ARG A 48 -9.722 -7.312 6.751 1.00 0.00 C ATOM 774 NE ARG A 48 -9.147 -8.543 6.141 1.00 0.00 N ATOM 775 CZ ARG A 48 -7.852 -8.687 6.059 1.00 0.00 C ATOM 776 NH1 ARG A 48 -7.173 -9.084 7.100 1.00 0.00 N ATOM 777 NH2 ARG A 48 -7.237 -8.434 4.936 1.00 0.00 N ATOM 0 H ARG A 48 -10.219 -6.695 3.129 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.607 -4.150 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.363 -5.121 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.587 -6.533 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.011 -6.630 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.937 -5.411 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.205 -7.050 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.774 -7.450 7.002 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.765 -9.273 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.654 -9.282 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.161 -9.197 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.768 -8.124 4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.225 -8.547 4.872 1.00 0.00 H new ATOM 791 N PRO A 49 -9.586 -2.944 4.928 1.00 0.00 N ATOM 792 CA PRO A 49 -8.440 -2.021 5.110 1.00 0.00 C ATOM 793 C PRO A 49 -7.343 -2.685 5.948 1.00 0.00 C ATOM 794 O PRO A 49 -7.619 -3.305 6.956 1.00 0.00 O ATOM 795 CB PRO A 49 -9.050 -0.837 5.855 1.00 0.00 C ATOM 796 CG PRO A 49 -10.245 -1.393 6.563 1.00 0.00 C ATOM 797 CD PRO A 49 -10.737 -2.570 5.759 1.00 0.00 C ATOM 0 HA PRO A 49 -7.970 -1.732 4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.339 -0.407 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.335 -0.042 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.983 -1.702 7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.025 -0.636 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.046 -3.392 6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.599 -2.303 5.148 1.00 0.00 H new ATOM 805 N PRO A 50 -6.128 -2.530 5.496 1.00 0.00 N ATOM 806 CA PRO A 50 -4.966 -3.120 6.206 1.00 0.00 C ATOM 807 C PRO A 50 -4.587 -2.275 7.428 1.00 0.00 C ATOM 808 O PRO A 50 -3.481 -2.354 7.926 1.00 0.00 O ATOM 809 CB PRO A 50 -3.856 -3.079 5.161 1.00 0.00 C ATOM 810 CG PRO A 50 -4.228 -1.970 4.227 1.00 0.00 C ATOM 811 CD PRO A 50 -5.727 -1.803 4.288 1.00 0.00 C ATOM 0 HA PRO A 50 -5.164 -4.123 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.887 -2.893 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.780 -4.029 4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.728 -1.045 4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.910 -2.203 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.007 -0.751 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.209 -2.212 3.400 1.00 0.00 H new ATOM 819 N THR A 51 -5.489 -1.468 7.917 1.00 0.00 N ATOM 820 CA THR A 51 -5.169 -0.624 9.105 1.00 0.00 C ATOM 821 C THR A 51 -4.714 -1.503 10.275 1.00 0.00 C ATOM 822 O THR A 51 -4.049 -1.046 11.183 1.00 0.00 O ATOM 823 CB THR A 51 -6.479 0.089 9.450 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.448 -0.189 8.449 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.238 1.598 9.524 1.00 0.00 C ATOM 0 H THR A 51 -6.433 -1.356 7.546 1.00 0.00 H new ATOM 0 HA THR A 51 -4.361 0.080 8.904 1.00 0.00 H new ATOM 0 HB THR A 51 -6.841 -0.266 10.415 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.933 0.633 8.226 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.172 2.104 9.770 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.496 1.811 10.294 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.874 1.956 8.561 1.00 0.00 H new ATOM 833 N TYR A 52 -5.071 -2.758 10.263 1.00 0.00 N ATOM 834 CA TYR A 52 -4.664 -3.660 11.380 1.00 0.00 C ATOM 835 C TYR A 52 -3.266 -4.239 11.133 1.00 0.00 C ATOM 836 O TYR A 52 -2.372 -4.061 11.934 1.00 0.00 O ATOM 837 CB TYR A 52 -5.710 -4.774 11.388 1.00 0.00 C ATOM 838 CG TYR A 52 -6.457 -4.755 12.700 1.00 0.00 C ATOM 839 CD1 TYR A 52 -7.191 -3.622 13.072 1.00 0.00 C ATOM 840 CD2 TYR A 52 -6.417 -5.870 13.545 1.00 0.00 C ATOM 841 CE1 TYR A 52 -7.884 -3.605 14.289 1.00 0.00 C ATOM 842 CE2 TYR A 52 -7.109 -5.853 14.762 1.00 0.00 C ATOM 843 CZ TYR A 52 -7.843 -4.721 15.134 1.00 0.00 C ATOM 844 OH TYR A 52 -8.525 -4.703 16.332 1.00 0.00 O ATOM 0 H TYR A 52 -5.626 -3.198 9.529 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.616 -3.131 12.332 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.406 -4.640 10.560 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.228 -5.741 11.246 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.223 -2.761 12.420 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.852 -6.744 13.258 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.450 -2.731 14.576 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.076 -6.714 15.414 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.393 -5.556 16.796 1.00 0.00 H new ATOM 854 N PRO A 53 -3.127 -4.925 10.028 1.00 0.00 N ATOM 855 CA PRO A 53 -1.827 -5.547 9.677 1.00 0.00 C ATOM 856 C PRO A 53 -0.813 -4.485 9.234 1.00 0.00 C ATOM 857 O PRO A 53 0.314 -4.794 8.902 1.00 0.00 O ATOM 858 CB PRO A 53 -2.178 -6.479 8.520 1.00 0.00 C ATOM 859 CG PRO A 53 -3.416 -5.899 7.914 1.00 0.00 C ATOM 860 CD PRO A 53 -4.156 -5.183 9.015 1.00 0.00 C ATOM 0 HA PRO A 53 -1.365 -6.067 10.517 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.368 -6.526 7.792 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.351 -7.496 8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.164 -5.210 7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.036 -6.683 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.604 -4.256 8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.965 -5.794 9.415 1.00 0.00 H new ATOM 868 N THR A 54 -1.200 -3.240 9.229 1.00 0.00 N ATOM 869 CA THR A 54 -0.252 -2.168 8.808 1.00 0.00 C ATOM 870 C THR A 54 1.015 -2.214 9.668 1.00 0.00 C ATOM 871 O THR A 54 2.054 -1.710 9.288 1.00 0.00 O ATOM 872 CB THR A 54 -1.005 -0.856 9.036 1.00 0.00 C ATOM 873 OG1 THR A 54 -2.251 -1.127 9.662 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.245 -0.164 7.694 1.00 0.00 C ATOM 0 H THR A 54 -2.130 -2.918 9.497 1.00 0.00 H new ATOM 0 HA THR A 54 0.062 -2.282 7.771 1.00 0.00 H new ATOM 0 HB THR A 54 -0.412 -0.204 9.677 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.315 -0.618 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.782 0.771 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.288 0.046 7.216 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.837 -0.814 7.050 1.00 0.00 H new ATOM 882 N LYS A 55 0.938 -2.812 10.826 1.00 0.00 N ATOM 883 CA LYS A 55 2.137 -2.886 11.711 1.00 0.00 C ATOM 884 C LYS A 55 3.157 -3.885 11.154 1.00 0.00 C ATOM 885 O LYS A 55 4.348 -3.655 11.191 1.00 0.00 O ATOM 886 CB LYS A 55 1.604 -3.363 13.062 1.00 0.00 C ATOM 887 CG LYS A 55 0.881 -2.211 13.763 1.00 0.00 C ATOM 888 CD LYS A 55 0.767 -2.515 15.258 1.00 0.00 C ATOM 889 CE LYS A 55 0.828 -1.208 16.051 1.00 0.00 C ATOM 890 NZ LYS A 55 -0.189 -1.365 17.129 1.00 0.00 N ATOM 0 H LYS A 55 0.097 -3.253 11.198 1.00 0.00 H new ATOM 0 HA LYS A 55 2.648 -1.926 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.922 -4.201 12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.425 -3.722 13.682 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.426 -1.279 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.111 -2.074 13.332 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.169 -3.034 15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.574 -3.179 15.568 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.822 -1.044 16.467 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.602 -0.350 15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.207 -0.507 17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.126 -1.513 16.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.056 -2.185 17.720 1.00 0.00 H new ATOM 904 N TYR A 56 2.698 -4.995 10.641 1.00 0.00 N ATOM 905 CA TYR A 56 3.644 -6.008 10.088 1.00 0.00 C ATOM 906 C TYR A 56 4.485 -5.393 8.966 1.00 0.00 C ATOM 907 O TYR A 56 5.699 -5.481 8.966 1.00 0.00 O ATOM 908 CB TYR A 56 2.752 -7.123 9.540 1.00 0.00 C ATOM 909 CG TYR A 56 3.403 -8.460 9.800 1.00 0.00 C ATOM 910 CD1 TYR A 56 3.450 -8.975 11.101 1.00 0.00 C ATOM 911 CD2 TYR A 56 3.957 -9.187 8.739 1.00 0.00 C ATOM 912 CE1 TYR A 56 4.053 -10.215 11.342 1.00 0.00 C ATOM 913 CE2 TYR A 56 4.559 -10.428 8.980 1.00 0.00 C ATOM 914 CZ TYR A 56 4.608 -10.941 10.281 1.00 0.00 C ATOM 915 OH TYR A 56 5.201 -12.164 10.518 1.00 0.00 O ATOM 0 H TYR A 56 1.711 -5.244 10.581 1.00 0.00 H new ATOM 0 HA TYR A 56 4.342 -6.375 10.841 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.771 -7.085 10.014 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.594 -6.985 8.470 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.021 -8.415 11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.920 -8.791 7.735 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.090 -10.612 12.346 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.986 -10.989 8.162 1.00 0.00 H new ATOM 0 HH TYR A 56 5.534 -12.535 9.674 1.00 0.00 H new ATOM 925 N PHE A 57 3.854 -4.769 8.011 1.00 0.00 N ATOM 926 CA PHE A 57 4.622 -4.151 6.894 1.00 0.00 C ATOM 927 C PHE A 57 5.627 -3.141 7.449 1.00 0.00 C ATOM 928 O PHE A 57 6.767 -3.090 7.030 1.00 0.00 O ATOM 929 CB PHE A 57 3.574 -3.448 6.031 1.00 0.00 C ATOM 930 CG PHE A 57 2.886 -4.463 5.149 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.617 -5.155 4.176 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.517 -4.710 5.303 1.00 0.00 C ATOM 933 CE1 PHE A 57 2.979 -6.095 3.359 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.879 -5.650 4.486 1.00 0.00 C ATOM 935 CZ PHE A 57 1.610 -6.342 3.513 1.00 0.00 C ATOM 0 H PHE A 57 2.841 -4.660 7.955 1.00 0.00 H new ATOM 0 HA PHE A 57 5.189 -4.886 6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.843 -2.946 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.047 -2.680 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.673 -4.963 4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.953 -4.175 6.053 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.543 -6.630 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.177 -5.842 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.118 -7.066 2.881 1.00 0.00 H new ATOM 945 N GLY A 58 5.216 -2.338 8.392 1.00 0.00 N ATOM 946 CA GLY A 58 6.148 -1.334 8.975 1.00 0.00 C ATOM 947 C GLY A 58 7.353 -2.046 9.591 1.00 0.00 C ATOM 948 O GLY A 58 8.464 -1.556 9.547 1.00 0.00 O ATOM 0 H GLY A 58 4.274 -2.335 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.479 -0.640 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.634 -0.745 9.734 1.00 0.00 H new ATOM 952 N CYS A 59 7.146 -3.199 10.163 1.00 0.00 N ATOM 953 CA CYS A 59 8.284 -3.936 10.781 1.00 0.00 C ATOM 954 C CYS A 59 9.379 -4.179 9.739 1.00 0.00 C ATOM 955 O CYS A 59 10.556 -4.124 10.034 1.00 0.00 O ATOM 956 CB CYS A 59 7.690 -5.263 11.254 1.00 0.00 C ATOM 957 SG CYS A 59 6.525 -4.954 12.603 1.00 0.00 S ATOM 0 H CYS A 59 6.240 -3.663 10.229 1.00 0.00 H new ATOM 0 HA CYS A 59 8.740 -3.381 11.601 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.183 -5.762 10.428 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.484 -5.930 11.590 1.00 0.00 H new ATOM 0 HG CYS A 59 5.409 -4.497 12.117 1.00 0.00 H new ATOM 963 N GLU A 60 8.998 -4.451 8.522 1.00 0.00 N ATOM 964 CA GLU A 60 10.015 -4.703 7.459 1.00 0.00 C ATOM 965 C GLU A 60 10.824 -3.433 7.166 1.00 0.00 C ATOM 966 O GLU A 60 12.039 -3.459 7.122 1.00 0.00 O ATOM 967 CB GLU A 60 9.206 -5.116 6.229 1.00 0.00 C ATOM 968 CG GLU A 60 8.618 -6.512 6.448 1.00 0.00 C ATOM 969 CD GLU A 60 7.514 -6.768 5.421 1.00 0.00 C ATOM 970 OE1 GLU A 60 6.911 -5.807 4.976 1.00 0.00 O ATOM 971 OE2 GLU A 60 7.289 -7.924 5.099 1.00 0.00 O ATOM 0 H GLU A 60 8.027 -4.510 8.216 1.00 0.00 H new ATOM 0 HA GLU A 60 10.733 -5.467 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.406 -4.397 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.843 -5.113 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.399 -7.266 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.216 -6.595 7.458 1.00 0.00 H new ATOM 978 N LEU A 61 10.165 -2.326 6.956 1.00 0.00 N ATOM 979 CA LEU A 61 10.909 -1.062 6.653 1.00 0.00 C ATOM 980 C LEU A 61 11.452 -0.423 7.937 1.00 0.00 C ATOM 981 O LEU A 61 11.907 0.705 7.932 1.00 0.00 O ATOM 982 CB LEU A 61 9.890 -0.135 5.980 1.00 0.00 C ATOM 983 CG LEU A 61 8.549 -0.207 6.713 1.00 0.00 C ATOM 984 CD1 LEU A 61 8.022 1.209 6.959 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.544 -0.977 5.855 1.00 0.00 C ATOM 0 H LEU A 61 9.149 -2.238 6.980 1.00 0.00 H new ATOM 0 HA LEU A 61 11.770 -1.251 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.261 0.890 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.759 -0.422 4.937 1.00 0.00 H new ATOM 0 HG LEU A 61 8.685 -0.716 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.067 1.156 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.737 1.763 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.886 1.718 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.587 -1.030 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.411 -0.465 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.916 -1.986 5.676 1.00 0.00 H new ATOM 997 N GLY A 62 11.417 -1.129 9.035 1.00 0.00 N ATOM 998 CA GLY A 62 11.940 -0.554 10.310 1.00 0.00 C ATOM 999 C GLY A 62 11.057 0.618 10.753 1.00 0.00 C ATOM 1000 O GLY A 62 11.343 1.290 11.724 1.00 0.00 O ATOM 0 H GLY A 62 11.050 -2.078 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.958 -1.321 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.967 -0.216 10.173 1.00 0.00 H new ATOM 1004 N ALA A 63 9.986 0.861 10.052 1.00 0.00 N ATOM 1005 CA ALA A 63 9.077 1.981 10.428 1.00 0.00 C ATOM 1006 C ALA A 63 7.712 1.412 10.813 1.00 0.00 C ATOM 1007 O ALA A 63 7.408 0.277 10.516 1.00 0.00 O ATOM 1008 CB ALA A 63 8.970 2.846 9.175 1.00 0.00 C ATOM 0 H ALA A 63 9.699 0.330 9.230 1.00 0.00 H new ATOM 0 HA ALA A 63 9.443 2.557 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.315 3.694 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.960 3.209 8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.559 2.253 8.358 1.00 0.00 H new ATOM 1014 N GLN A 64 6.881 2.171 11.472 1.00 0.00 N ATOM 1015 CA GLN A 64 5.560 1.631 11.854 1.00 0.00 C ATOM 1016 C GLN A 64 4.479 2.231 10.959 1.00 0.00 C ATOM 1017 O GLN A 64 4.499 2.081 9.754 1.00 0.00 O ATOM 1018 CB GLN A 64 5.366 2.058 13.309 1.00 0.00 C ATOM 1019 CG GLN A 64 6.380 1.331 14.194 1.00 0.00 C ATOM 1020 CD GLN A 64 5.648 0.331 15.092 1.00 0.00 C ATOM 1021 OE1 GLN A 64 5.252 -0.727 14.645 1.00 0.00 O ATOM 1022 NE2 GLN A 64 5.452 0.623 16.348 1.00 0.00 N ATOM 0 H GLN A 64 7.063 3.133 11.758 1.00 0.00 H new ATOM 0 HA GLN A 64 5.498 0.548 11.743 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.493 3.137 13.403 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.352 1.827 13.635 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.113 0.812 13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.928 2.050 14.803 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.785 1.511 16.723 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.966 -0.037 16.955 1.00 0.00 H new ATOM 1031 N THR A 65 3.534 2.902 11.541 1.00 0.00 N ATOM 1032 CA THR A 65 2.442 3.510 10.729 1.00 0.00 C ATOM 1033 C THR A 65 1.914 4.786 11.386 1.00 0.00 C ATOM 1034 O THR A 65 2.223 5.089 12.522 1.00 0.00 O ATOM 1035 CB THR A 65 1.345 2.448 10.660 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.505 2.561 11.800 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.969 1.051 10.619 1.00 0.00 C ATOM 0 H THR A 65 3.466 3.059 12.547 1.00 0.00 H new ATOM 0 HA THR A 65 2.794 3.796 9.738 1.00 0.00 H new ATOM 0 HB THR A 65 0.756 2.600 9.755 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.430 2.626 11.513 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.179 0.301 10.570 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.608 0.963 9.740 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.565 0.892 11.518 1.00 0.00 H new ATOM 1045 N GLN A 66 1.096 5.519 10.684 1.00 0.00 N ATOM 1046 CA GLN A 66 0.510 6.763 11.263 1.00 0.00 C ATOM 1047 C GLN A 66 -0.926 6.904 10.763 1.00 0.00 C ATOM 1048 O GLN A 66 -1.217 6.622 9.618 1.00 0.00 O ATOM 1049 CB GLN A 66 1.383 7.903 10.735 1.00 0.00 C ATOM 1050 CG GLN A 66 0.715 9.244 11.046 1.00 0.00 C ATOM 1051 CD GLN A 66 1.789 10.302 11.305 1.00 0.00 C ATOM 1052 OE1 GLN A 66 1.956 10.754 12.420 1.00 0.00 O ATOM 1053 NE2 GLN A 66 2.530 10.718 10.314 1.00 0.00 N ATOM 0 H GLN A 66 0.806 5.310 9.729 1.00 0.00 H new ATOM 0 HA GLN A 66 0.486 6.759 12.353 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.371 7.862 11.194 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.527 7.797 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.083 9.549 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.068 9.146 11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.390 10.338 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.249 11.423 10.476 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.836 7.310 11.602 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.245 7.423 11.138 1.00 0.00 C ATOM 1064 C PHE A 67 -3.844 8.795 11.408 1.00 0.00 C ATOM 1065 O PHE A 67 -3.629 9.390 12.445 1.00 0.00 O ATOM 1066 CB PHE A 67 -3.983 6.328 11.897 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.709 5.055 11.162 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -3.989 5.001 9.800 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.136 3.956 11.809 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -3.708 3.853 9.075 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -2.842 2.801 11.080 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.129 2.748 9.710 1.00 0.00 C ATOM 0 H PHE A 67 -1.669 7.565 12.575 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.320 7.306 10.057 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.634 6.265 12.928 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.053 6.533 11.935 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.427 5.856 9.306 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.922 4.000 12.867 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.936 3.811 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.394 1.950 11.572 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.904 1.856 9.144 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.624 9.289 10.485 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.267 10.609 10.702 1.00 0.00 C ATOM 1084 C ASP A 68 -6.784 10.448 10.601 1.00 0.00 C ATOM 1085 O ASP A 68 -7.312 10.078 9.572 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.736 11.504 9.583 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.207 11.445 9.562 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.676 10.347 9.529 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.592 12.499 9.581 1.00 0.00 O ATOM 0 H ASP A 68 -4.841 8.837 9.597 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.048 11.033 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.136 11.179 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.069 12.531 9.736 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.487 10.718 11.665 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.969 10.572 11.631 1.00 0.00 C ATOM 1096 C VAL A 69 -9.599 11.854 11.093 1.00 0.00 C ATOM 1097 O VAL A 69 -10.217 11.859 10.046 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.372 10.329 13.084 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -10.800 9.784 13.134 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.415 9.309 13.706 1.00 0.00 C ATOM 0 H VAL A 69 -7.101 11.033 12.555 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.301 9.761 10.983 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.324 11.266 13.640 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.087 9.611 14.171 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.481 10.507 12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.851 8.846 12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.697 9.131 14.744 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.469 8.373 13.150 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.397 9.696 13.668 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.431 12.946 11.784 1.00 0.00 N ATOM 1111 CA LYS A 70 -10.006 14.223 11.285 1.00 0.00 C ATOM 1112 C LYS A 70 -9.494 14.475 9.866 1.00 0.00 C ATOM 1113 O LYS A 70 -10.045 15.264 9.123 1.00 0.00 O ATOM 1114 CB LYS A 70 -9.494 15.296 12.246 1.00 0.00 C ATOM 1115 CG LYS A 70 -9.921 16.677 11.744 1.00 0.00 C ATOM 1116 CD LYS A 70 -8.716 17.619 11.748 1.00 0.00 C ATOM 1117 CE LYS A 70 -8.142 17.710 13.164 1.00 0.00 C ATOM 1118 NZ LYS A 70 -6.671 17.837 12.976 1.00 0.00 N ATOM 0 H LYS A 70 -8.924 13.009 12.667 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.095 14.215 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.891 15.122 13.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.408 15.244 12.320 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.331 16.598 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.711 17.078 12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.954 17.255 11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.014 18.608 11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.547 18.569 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.390 16.824 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.207 17.905 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.312 17.002 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.464 18.693 12.423 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.440 13.801 9.488 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.884 13.986 8.119 1.00 0.00 C ATOM 1134 C ASN A 71 -8.231 12.781 7.240 1.00 0.00 C ATOM 1135 O ASN A 71 -8.367 12.907 6.040 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.369 14.091 8.306 1.00 0.00 C ATOM 1137 CG ASN A 71 -6.057 14.858 9.593 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -6.899 15.563 10.114 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -4.873 14.751 10.132 1.00 0.00 N ATOM 0 H ASN A 71 -7.940 13.129 10.071 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.293 14.869 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.929 13.095 8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.922 14.599 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.655 15.259 10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.166 14.160 9.696 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.376 11.612 7.824 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.719 10.408 7.006 1.00 0.00 C ATOM 1148 C ASP A 72 -7.525 10.000 6.151 1.00 0.00 C ATOM 1149 O ASP A 72 -7.650 9.258 5.197 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.850 10.861 6.102 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.856 11.688 6.905 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.411 11.155 7.852 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.055 12.841 6.560 1.00 0.00 O ATOM 0 H ASP A 72 -8.272 11.443 8.825 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.992 9.555 7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.454 11.454 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.346 9.995 5.663 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.373 10.489 6.483 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.162 10.146 5.690 1.00 0.00 C ATOM 1160 C ARG A 73 -4.208 9.319 6.544 1.00 0.00 C ATOM 1161 O ARG A 73 -3.890 9.675 7.662 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.530 11.490 5.325 1.00 0.00 C ATOM 1163 CG ARG A 73 -5.457 12.249 4.372 1.00 0.00 C ATOM 1164 CD ARG A 73 -4.929 13.672 4.173 1.00 0.00 C ATOM 1165 NE ARG A 73 -5.853 14.288 3.179 1.00 0.00 N ATOM 1166 CZ ARG A 73 -5.727 15.548 2.866 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -4.642 15.968 2.275 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -6.686 16.388 3.143 1.00 0.00 N ATOM 0 H ARG A 73 -6.212 11.115 7.272 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.396 9.558 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.356 12.079 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.559 11.332 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.513 11.733 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.468 12.278 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.929 14.228 5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.902 13.665 3.807 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.583 13.725 2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.893 15.311 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.543 16.953 2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.534 16.059 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.587 17.373 2.898 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.757 8.211 6.033 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.835 7.353 6.822 1.00 0.00 C ATOM 1184 C TYR A 74 -1.448 7.327 6.175 1.00 0.00 C ATOM 1185 O TYR A 74 -1.313 7.237 4.971 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.479 5.967 6.798 1.00 0.00 C ATOM 1187 CG TYR A 74 -4.973 6.101 7.011 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.485 7.168 7.763 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -5.846 5.163 6.450 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.867 7.296 7.953 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.229 5.290 6.639 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.738 6.357 7.390 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.100 6.482 7.577 1.00 0.00 O ATOM 0 H TYR A 74 -3.987 7.862 5.103 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.693 7.717 7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.279 5.478 5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.045 5.339 7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.812 7.893 8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.454 4.340 5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.259 8.118 8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.902 4.565 6.206 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.562 5.749 7.119 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.419 7.408 6.970 1.00 0.00 N ATOM 1204 CA ILE A 75 0.963 7.394 6.413 1.00 0.00 C ATOM 1205 C ILE A 75 1.827 6.388 7.178 1.00 0.00 C ATOM 1206 O ILE A 75 1.636 6.163 8.355 1.00 0.00 O ATOM 1207 CB ILE A 75 1.484 8.816 6.618 1.00 0.00 C ATOM 1208 CG1 ILE A 75 0.669 9.784 5.756 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.956 8.888 6.209 1.00 0.00 C ATOM 1210 CD1 ILE A 75 1.245 11.195 5.885 1.00 0.00 C ATOM 0 H ILE A 75 -0.475 7.484 7.986 1.00 0.00 H new ATOM 0 HA ILE A 75 0.986 7.100 5.364 1.00 0.00 H new ATOM 0 HB ILE A 75 1.387 9.090 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.691 9.465 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.375 9.776 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.325 9.903 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.538 8.198 6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.056 8.614 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.664 11.883 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.200 11.512 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.282 11.197 5.549 1.00 0.00 H new ATOM 1222 N VAL A 76 2.777 5.782 6.521 1.00 0.00 N ATOM 1223 CA VAL A 76 3.649 4.796 7.217 1.00 0.00 C ATOM 1224 C VAL A 76 5.079 5.327 7.278 1.00 0.00 C ATOM 1225 O VAL A 76 5.586 5.884 6.325 1.00 0.00 O ATOM 1226 CB VAL A 76 3.578 3.529 6.364 1.00 0.00 C ATOM 1227 CG1 VAL A 76 4.221 2.366 7.121 1.00 0.00 C ATOM 1228 CG2 VAL A 76 2.114 3.196 6.067 1.00 0.00 C ATOM 0 H VAL A 76 2.987 5.927 5.533 1.00 0.00 H new ATOM 0 HA VAL A 76 3.332 4.607 8.243 1.00 0.00 H new ATOM 0 HB VAL A 76 4.112 3.692 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.170 1.463 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.264 2.602 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.688 2.203 8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.062 2.293 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.581 3.034 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.655 4.024 5.527 1.00 0.00 H new ATOM 1238 N ASN A 77 5.733 5.171 8.395 1.00 0.00 N ATOM 1239 CA ASN A 77 7.128 5.684 8.514 1.00 0.00 C ATOM 1240 C ASN A 77 8.024 5.058 7.441 1.00 0.00 C ATOM 1241 O ASN A 77 7.895 3.899 7.105 1.00 0.00 O ATOM 1242 CB ASN A 77 7.586 5.268 9.913 1.00 0.00 C ATOM 1243 CG ASN A 77 6.874 6.126 10.959 1.00 0.00 C ATOM 1244 OD1 ASN A 77 7.093 7.320 11.035 1.00 0.00 O ATOM 1245 ND2 ASN A 77 6.023 5.566 11.776 1.00 0.00 N ATOM 0 H ASN A 77 5.364 4.712 9.228 1.00 0.00 H new ATOM 0 HA ASN A 77 7.182 6.763 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.366 4.214 10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.666 5.386 10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.543 6.130 12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.839 4.565 11.713 1.00 0.00 H new ATOM 1252 N GLY A 78 8.932 5.824 6.897 1.00 0.00 N ATOM 1253 CA GLY A 78 9.837 5.281 5.844 1.00 0.00 C ATOM 1254 C GLY A 78 9.143 5.373 4.486 1.00 0.00 C ATOM 1255 O GLY A 78 7.933 5.350 4.398 1.00 0.00 O ATOM 0 H GLY A 78 9.086 6.803 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.771 5.842 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.091 4.245 6.066 1.00 0.00 H new ATOM 1259 N SER A 79 9.894 5.479 3.423 1.00 0.00 N ATOM 1260 CA SER A 79 9.254 5.572 2.081 1.00 0.00 C ATOM 1261 C SER A 79 9.275 4.216 1.378 1.00 0.00 C ATOM 1262 O SER A 79 10.318 3.682 1.057 1.00 0.00 O ATOM 1263 CB SER A 79 10.075 6.580 1.297 1.00 0.00 C ATOM 1264 OG SER A 79 11.442 6.191 1.313 1.00 0.00 O ATOM 0 H SER A 79 10.914 5.505 3.425 1.00 0.00 H new ATOM 0 HA SER A 79 8.210 5.876 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.714 6.639 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.963 7.573 1.732 1.00 0.00 H new ATOM 0 HG SER A 79 11.504 5.213 1.330 1.00 0.00 H new ATOM 1270 N HIS A 80 8.124 3.669 1.133 1.00 0.00 N ATOM 1271 CA HIS A 80 8.045 2.350 0.440 1.00 0.00 C ATOM 1272 C HIS A 80 6.837 2.320 -0.502 1.00 0.00 C ATOM 1273 O HIS A 80 5.705 2.410 -0.070 1.00 0.00 O ATOM 1274 CB HIS A 80 7.883 1.316 1.559 1.00 0.00 C ATOM 1275 CG HIS A 80 7.023 1.883 2.656 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.548 2.647 3.685 1.00 0.00 N ATOM 1277 CD2 HIS A 80 5.675 1.802 2.900 1.00 0.00 C ATOM 1278 CE1 HIS A 80 6.530 2.994 4.493 1.00 0.00 C ATOM 1279 NE2 HIS A 80 5.365 2.505 4.061 1.00 0.00 N ATOM 0 H HIS A 80 7.224 4.078 1.383 1.00 0.00 H new ATOM 0 HA HIS A 80 8.927 2.151 -0.168 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.431 0.406 1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.860 1.040 1.956 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.528 2.900 3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.962 1.273 2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.641 3.595 5.383 1.00 0.00 H new ATOM 1287 N GLU A 81 7.061 2.183 -1.780 1.00 0.00 N ATOM 1288 CA GLU A 81 5.909 2.137 -2.727 1.00 0.00 C ATOM 1289 C GLU A 81 5.082 0.876 -2.469 1.00 0.00 C ATOM 1290 O GLU A 81 5.583 -0.113 -1.973 1.00 0.00 O ATOM 1291 CB GLU A 81 6.536 2.103 -4.123 1.00 0.00 C ATOM 1292 CG GLU A 81 5.614 1.356 -5.090 1.00 0.00 C ATOM 1293 CD GLU A 81 5.894 1.817 -6.522 1.00 0.00 C ATOM 1294 OE1 GLU A 81 6.487 2.871 -6.679 1.00 0.00 O ATOM 1295 OE2 GLU A 81 5.509 1.108 -7.438 1.00 0.00 O ATOM 0 H GLU A 81 7.983 2.101 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 81 5.239 2.989 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.705 3.119 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.509 1.613 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.774 0.281 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.571 1.544 -4.834 1.00 0.00 H new ATOM 1302 N ALA A 82 3.819 0.902 -2.792 1.00 0.00 N ATOM 1303 CA ALA A 82 2.972 -0.300 -2.554 1.00 0.00 C ATOM 1304 C ALA A 82 3.625 -1.535 -3.177 1.00 0.00 C ATOM 1305 O ALA A 82 3.708 -2.581 -2.564 1.00 0.00 O ATOM 1306 CB ALA A 82 1.648 0.015 -3.244 1.00 0.00 C ATOM 0 H ALA A 82 3.338 1.699 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 82 2.839 -0.514 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.963 -0.823 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.212 0.911 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.822 0.183 -4.307 1.00 0.00 H new ATOM 1312 N ASN A 83 4.112 -1.419 -4.382 1.00 0.00 N ATOM 1313 CA ASN A 83 4.781 -2.584 -5.026 1.00 0.00 C ATOM 1314 C ASN A 83 6.054 -2.920 -4.250 1.00 0.00 C ATOM 1315 O ASN A 83 6.448 -4.065 -4.130 1.00 0.00 O ATOM 1316 CB ASN A 83 5.118 -2.121 -6.445 1.00 0.00 C ATOM 1317 CG ASN A 83 5.445 -3.337 -7.314 1.00 0.00 C ATOM 1318 OD1 ASN A 83 6.462 -3.975 -7.129 1.00 0.00 O ATOM 1319 ND2 ASN A 83 4.620 -3.685 -8.264 1.00 0.00 N ATOM 0 H ASN A 83 4.076 -0.570 -4.947 1.00 0.00 H new ATOM 0 HA ASN A 83 4.157 -3.477 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.277 -1.573 -6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.966 -1.437 -6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.829 -4.493 -8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.766 -3.149 -8.419 1.00 0.00 H new ATOM 1326 N LYS A 84 6.690 -1.917 -3.716 1.00 0.00 N ATOM 1327 CA LYS A 84 7.935 -2.139 -2.935 1.00 0.00 C ATOM 1328 C LYS A 84 7.646 -3.026 -1.725 1.00 0.00 C ATOM 1329 O LYS A 84 8.458 -3.843 -1.340 1.00 0.00 O ATOM 1330 CB LYS A 84 8.374 -0.745 -2.485 1.00 0.00 C ATOM 1331 CG LYS A 84 9.899 -0.706 -2.356 1.00 0.00 C ATOM 1332 CD LYS A 84 10.286 0.133 -1.137 1.00 0.00 C ATOM 1333 CE LYS A 84 11.776 -0.051 -0.842 1.00 0.00 C ATOM 1334 NZ LYS A 84 12.465 0.281 -2.121 1.00 0.00 N ATOM 0 H LYS A 84 6.397 -0.943 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 84 8.706 -2.640 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.040 0.003 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.911 -0.497 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.292 -1.718 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.340 -0.282 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.068 1.185 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.694 -0.167 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.103 0.605 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.994 -1.072 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.420 0.640 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.534 -0.573 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.923 1.009 -2.629 1.00 0.00 H new ATOM 1348 N LEU A 85 6.498 -2.870 -1.116 1.00 0.00 N ATOM 1349 CA LEU A 85 6.177 -3.706 0.076 1.00 0.00 C ATOM 1350 C LEU A 85 6.206 -5.187 -0.301 1.00 0.00 C ATOM 1351 O LEU A 85 6.696 -6.013 0.445 1.00 0.00 O ATOM 1352 CB LEU A 85 4.775 -3.280 0.513 1.00 0.00 C ATOM 1353 CG LEU A 85 4.865 -2.127 1.526 1.00 0.00 C ATOM 1354 CD1 LEU A 85 6.181 -2.206 2.319 1.00 0.00 C ATOM 1355 CD2 LEU A 85 4.799 -0.792 0.778 1.00 0.00 C ATOM 0 H LEU A 85 5.775 -2.205 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 85 6.899 -3.569 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.194 -2.967 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.252 -4.126 0.959 1.00 0.00 H new ATOM 0 HG LEU A 85 4.032 -2.205 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.227 -1.382 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.225 -3.153 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.024 -2.139 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.862 0.029 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.630 -0.727 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.857 -0.727 0.233 1.00 0.00 H new ATOM 1367 N GLN A 86 5.717 -5.535 -1.459 1.00 0.00 N ATOM 1368 CA GLN A 86 5.761 -6.966 -1.868 1.00 0.00 C ATOM 1369 C GLN A 86 7.221 -7.418 -1.877 1.00 0.00 C ATOM 1370 O GLN A 86 7.551 -8.529 -1.513 1.00 0.00 O ATOM 1371 CB GLN A 86 5.171 -7.000 -3.278 1.00 0.00 C ATOM 1372 CG GLN A 86 4.536 -8.369 -3.532 1.00 0.00 C ATOM 1373 CD GLN A 86 3.201 -8.186 -4.256 1.00 0.00 C ATOM 1374 OE1 GLN A 86 3.039 -7.163 -5.051 1.00 0.00 O flip ATOM 1375 NE2 GLN A 86 2.296 -8.982 -4.097 1.00 0.00 N flip ATOM 0 H GLN A 86 5.293 -4.898 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 86 5.208 -7.625 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.424 -6.214 -3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.951 -6.806 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.205 -8.986 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.381 -8.891 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.423 -9.781 -3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.410 -8.851 -4.585 1.00 0.00 H new ATOM 1384 N ASP A 87 8.098 -6.538 -2.276 1.00 0.00 N ATOM 1385 CA ASP A 87 9.552 -6.865 -2.303 1.00 0.00 C ATOM 1386 C ASP A 87 10.082 -7.009 -0.872 1.00 0.00 C ATOM 1387 O ASP A 87 10.972 -7.792 -0.602 1.00 0.00 O ATOM 1388 CB ASP A 87 10.214 -5.678 -3.004 1.00 0.00 C ATOM 1389 CG ASP A 87 11.495 -6.145 -3.696 1.00 0.00 C ATOM 1390 OD1 ASP A 87 11.419 -7.077 -4.479 1.00 0.00 O ATOM 1391 OD2 ASP A 87 12.535 -5.562 -3.430 1.00 0.00 O ATOM 0 H ASP A 87 7.866 -5.595 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 87 9.757 -7.804 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.530 -5.246 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.443 -4.896 -2.280 1.00 0.00 H new