USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=10 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 94:sc= -2.37! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -19.9! C(o=-22!,f=-23!) 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= -5.88! C(o=-5.9!,f=-6.9!) USER MOD Single : A 39 MET CE :methyl -171:sc= -1.67 (180deg=-1.83) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.44! C(o=-2.4!,f=-11!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -142:sc= -1.11! 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 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0868 K(o=-0.087,f=-1.1!) USER MOD Single : A 65 THR OG1 : rot 107:sc= 0.519 USER MOD Single : A 66 GLN : amide:sc= 0.6 K(o=0.6,f=-0.28) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.5 K(o=-2.5,f=-3.5!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.275 K(o=-0.28,f=-2.8!) USER MOD Single : A 79 SER OG : rot 29:sc= -1.47! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0641 K(o=-0.064,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -1.894 -1.031 -5.307 1.00 0.00 N ATOM 354 CA LEU A 21 -1.560 -0.194 -4.119 1.00 0.00 C ATOM 355 C LEU A 21 -0.699 1.001 -4.538 1.00 0.00 C ATOM 356 O LEU A 21 0.322 0.848 -5.180 1.00 0.00 O ATOM 357 CB LEU A 21 -0.775 -1.121 -3.190 1.00 0.00 C ATOM 358 CG LEU A 21 -0.663 -0.483 -1.804 1.00 0.00 C ATOM 359 CD1 LEU A 21 -0.025 -1.479 -0.834 1.00 0.00 C ATOM 360 CD2 LEU A 21 0.207 0.772 -1.890 1.00 0.00 C ATOM 0 HA LEU A 21 -2.449 0.210 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.274 -2.087 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.219 -1.305 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.657 -0.213 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.055 -1.025 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.644 -2.374 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.969 -1.749 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.287 1.227 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.201 0.502 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.246 1.482 -2.581 1.00 0.00 H new ATOM 372 N ILE A 22 -1.100 2.189 -4.178 1.00 0.00 N ATOM 373 CA ILE A 22 -0.303 3.392 -4.554 1.00 0.00 C ATOM 374 C ILE A 22 0.476 3.906 -3.341 1.00 0.00 C ATOM 375 O ILE A 22 -0.043 3.974 -2.244 1.00 0.00 O ATOM 376 CB ILE A 22 -1.333 4.425 -5.009 1.00 0.00 C ATOM 377 CG1 ILE A 22 -2.346 3.757 -5.942 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.625 5.558 -5.754 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.173 4.829 -6.654 1.00 0.00 C ATOM 0 H ILE A 22 -1.945 2.379 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 22 0.428 3.178 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.850 4.830 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.828 3.137 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.000 3.097 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.360 6.295 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.098 6.034 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.108 5.154 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.894 4.351 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.703 5.430 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.512 5.471 -7.237 1.00 0.00 H new ATOM 391 N ALA A 23 1.717 4.264 -3.526 1.00 0.00 N ATOM 392 CA ALA A 23 2.524 4.769 -2.377 1.00 0.00 C ATOM 393 C ALA A 23 3.123 6.139 -2.706 1.00 0.00 C ATOM 394 O ALA A 23 3.783 6.315 -3.710 1.00 0.00 O ATOM 395 CB ALA A 23 3.630 3.732 -2.186 1.00 0.00 C ATOM 0 H ALA A 23 2.207 4.229 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 23 1.923 4.897 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.270 4.031 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.185 2.761 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.225 3.663 -3.096 1.00 0.00 H new ATOM 401 N LYS A 24 2.901 7.108 -1.860 1.00 0.00 N ATOM 402 CA LYS A 24 3.461 8.467 -2.116 1.00 0.00 C ATOM 403 C LYS A 24 4.466 8.829 -1.019 1.00 0.00 C ATOM 404 O LYS A 24 4.243 8.572 0.147 1.00 0.00 O ATOM 405 CB LYS A 24 2.257 9.408 -2.075 1.00 0.00 C ATOM 406 CG LYS A 24 1.204 8.935 -3.080 1.00 0.00 C ATOM 407 CD LYS A 24 1.106 9.940 -4.229 1.00 0.00 C ATOM 408 CE LYS A 24 0.726 9.208 -5.517 1.00 0.00 C ATOM 409 NZ LYS A 24 -0.743 8.980 -5.410 1.00 0.00 N ATOM 0 H LYS A 24 2.356 7.018 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 24 3.988 8.528 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.833 9.429 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.569 10.425 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.470 7.951 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.237 8.834 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.361 10.701 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.058 10.455 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.970 9.804 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.266 8.266 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.080 8.481 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.945 8.405 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.231 9.895 -5.330 1.00 0.00 H new ATOM 423 N VAL A 25 5.573 9.418 -1.381 1.00 0.00 N ATOM 424 CA VAL A 25 6.586 9.785 -0.350 1.00 0.00 C ATOM 425 C VAL A 25 6.373 11.227 0.123 1.00 0.00 C ATOM 426 O VAL A 25 6.399 12.157 -0.658 1.00 0.00 O ATOM 427 CB VAL A 25 7.936 9.640 -1.056 1.00 0.00 C ATOM 428 CG1 VAL A 25 8.175 10.849 -1.964 1.00 0.00 C ATOM 429 CG2 VAL A 25 9.050 9.559 -0.011 1.00 0.00 C ATOM 0 H VAL A 25 5.819 9.660 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 25 6.519 9.155 0.537 1.00 0.00 H new ATOM 0 HB VAL A 25 7.934 8.732 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.137 10.743 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.382 10.907 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.177 11.759 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.012 9.456 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.050 10.467 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.882 8.696 0.634 1.00 0.00 H new ATOM 439 N GLU A 26 6.165 11.415 1.398 1.00 0.00 N ATOM 440 CA GLU A 26 5.951 12.795 1.926 1.00 0.00 C ATOM 441 C GLU A 26 6.641 12.955 3.285 1.00 0.00 C ATOM 442 O GLU A 26 6.515 12.116 4.154 1.00 0.00 O ATOM 443 CB GLU A 26 4.437 12.930 2.076 1.00 0.00 C ATOM 444 CG GLU A 26 4.034 14.395 1.897 1.00 0.00 C ATOM 445 CD GLU A 26 2.663 14.469 1.220 1.00 0.00 C ATOM 446 OE1 GLU A 26 2.247 13.469 0.660 1.00 0.00 O ATOM 447 OE2 GLU A 26 2.055 15.524 1.274 1.00 0.00 O ATOM 0 H GLU A 26 6.134 10.673 2.098 1.00 0.00 H new ATOM 0 HA GLU A 26 6.366 13.558 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.931 12.310 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.125 12.574 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.001 14.895 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.778 14.917 1.294 1.00 0.00 H new ATOM 511 N ILE A 32 11.159 11.010 3.238 1.00 0.00 N ATOM 512 CA ILE A 32 11.376 9.545 3.072 1.00 0.00 C ATOM 513 C ILE A 32 10.248 8.759 3.754 1.00 0.00 C ATOM 514 O ILE A 32 10.393 7.601 4.087 1.00 0.00 O ATOM 515 CB ILE A 32 12.733 9.269 3.731 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.821 9.342 2.664 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.744 7.870 4.352 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.490 8.344 1.556 1.00 0.00 C ATOM 0 HA ILE A 32 11.372 9.236 2.027 1.00 0.00 H new ATOM 0 HB ILE A 32 12.910 10.009 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.884 10.351 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.793 9.113 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.713 7.686 4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.960 7.801 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.567 7.126 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.261 8.386 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.448 7.338 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.524 8.595 1.117 1.00 0.00 H new ATOM 530 N LYS A 33 9.118 9.374 3.949 1.00 0.00 N ATOM 531 CA LYS A 33 7.991 8.647 4.594 1.00 0.00 C ATOM 532 C LYS A 33 7.037 8.124 3.519 1.00 0.00 C ATOM 533 O LYS A 33 6.948 8.675 2.441 1.00 0.00 O ATOM 534 CB LYS A 33 7.295 9.682 5.478 1.00 0.00 C ATOM 535 CG LYS A 33 6.669 8.985 6.687 1.00 0.00 C ATOM 536 CD LYS A 33 7.218 9.603 7.975 1.00 0.00 C ATOM 537 CE LYS A 33 6.474 10.905 8.274 1.00 0.00 C ATOM 538 NZ LYS A 33 7.544 11.924 8.461 1.00 0.00 N ATOM 0 H LYS A 33 8.925 10.342 3.692 1.00 0.00 H new ATOM 0 HA LYS A 33 8.326 7.788 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.012 10.433 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.526 10.204 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.584 9.086 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.891 7.918 6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.100 8.906 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.286 9.797 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.809 11.177 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.857 10.811 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.112 12.847 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.158 11.642 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.110 11.996 7.592 1.00 0.00 H new ATOM 552 N THR A 34 6.331 7.059 3.789 1.00 0.00 N ATOM 553 CA THR A 34 5.403 6.517 2.753 1.00 0.00 C ATOM 554 C THR A 34 3.946 6.721 3.170 1.00 0.00 C ATOM 555 O THR A 34 3.487 6.159 4.141 1.00 0.00 O ATOM 556 CB THR A 34 5.726 5.026 2.674 1.00 0.00 C ATOM 557 OG1 THR A 34 6.997 4.850 2.066 1.00 0.00 O ATOM 558 CG2 THR A 34 4.657 4.315 1.842 1.00 0.00 C ATOM 0 H THR A 34 6.355 6.546 4.670 1.00 0.00 H new ATOM 0 HA THR A 34 5.528 7.020 1.794 1.00 0.00 H new ATOM 0 HB THR A 34 5.742 4.603 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.686 4.788 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.888 3.251 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.682 4.451 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.639 4.736 0.837 1.00 0.00 H new ATOM 566 N VAL A 35 3.212 7.507 2.433 1.00 0.00 N ATOM 567 CA VAL A 35 1.782 7.730 2.786 1.00 0.00 C ATOM 568 C VAL A 35 0.879 6.995 1.792 1.00 0.00 C ATOM 569 O VAL A 35 0.879 7.279 0.611 1.00 0.00 O ATOM 570 CB VAL A 35 1.578 9.241 2.683 1.00 0.00 C ATOM 571 CG1 VAL A 35 1.807 9.692 1.239 1.00 0.00 C ATOM 572 CG2 VAL A 35 0.149 9.592 3.104 1.00 0.00 C ATOM 0 H VAL A 35 3.539 8.003 1.604 1.00 0.00 H new ATOM 0 HA VAL A 35 1.535 7.356 3.780 1.00 0.00 H new ATOM 0 HB VAL A 35 2.287 9.747 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.661 10.770 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.824 9.442 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.099 9.185 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.002 10.670 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.559 9.084 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.016 9.272 4.133 1.00 0.00 H new ATOM 582 N ILE A 36 0.112 6.050 2.261 1.00 0.00 N ATOM 583 CA ILE A 36 -0.789 5.298 1.342 1.00 0.00 C ATOM 584 C ILE A 36 -2.192 5.911 1.362 1.00 0.00 C ATOM 585 O ILE A 36 -2.921 5.787 2.326 1.00 0.00 O ATOM 586 CB ILE A 36 -0.816 3.868 1.887 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.562 3.509 2.453 1.00 0.00 C ATOM 588 CG2 ILE A 36 -1.166 2.900 0.756 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.610 2.014 2.776 1.00 0.00 C ATOM 0 H ILE A 36 0.070 5.766 3.240 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.444 5.329 0.309 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.564 3.795 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.340 3.761 1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.760 4.092 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.186 1.881 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.145 3.153 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.417 2.975 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.591 1.760 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.157 1.776 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.431 1.439 1.867 1.00 0.00 H new ATOM 601 N VAL A 37 -2.575 6.575 0.305 1.00 0.00 N ATOM 602 CA VAL A 37 -3.929 7.199 0.267 1.00 0.00 C ATOM 603 C VAL A 37 -4.896 6.330 -0.541 1.00 0.00 C ATOM 604 O VAL A 37 -6.095 6.517 -0.499 1.00 0.00 O ATOM 605 CB VAL A 37 -3.723 8.550 -0.417 1.00 0.00 C ATOM 606 CG1 VAL A 37 -3.088 8.335 -1.792 1.00 0.00 C ATOM 607 CG2 VAL A 37 -5.075 9.246 -0.584 1.00 0.00 C ATOM 0 H VAL A 37 -2.010 6.712 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.360 7.306 1.263 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.066 9.170 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.941 9.299 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.125 7.837 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.744 7.715 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.930 10.210 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.731 8.625 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.529 9.399 0.395 1.00 0.00 H new ATOM 617 N ASN A 38 -4.386 5.382 -1.280 1.00 0.00 N ATOM 618 CA ASN A 38 -5.282 4.508 -2.091 1.00 0.00 C ATOM 619 C ASN A 38 -5.478 3.157 -1.400 1.00 0.00 C ATOM 620 O ASN A 38 -6.197 2.303 -1.880 1.00 0.00 O ATOM 621 CB ASN A 38 -4.557 4.328 -3.424 1.00 0.00 C ATOM 622 CG ASN A 38 -5.569 4.391 -4.570 1.00 0.00 C ATOM 623 OD1 ASN A 38 -5.517 5.282 -5.394 1.00 0.00 O ATOM 624 ND2 ASN A 38 -6.495 3.476 -4.656 1.00 0.00 N ATOM 0 H ASN A 38 -3.390 5.175 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.273 4.942 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.803 5.106 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.034 3.372 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.175 3.509 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.539 2.728 -3.964 1.00 0.00 H new ATOM 631 N MET A 39 -4.849 2.954 -0.274 1.00 0.00 N ATOM 632 CA MET A 39 -5.005 1.656 0.442 1.00 0.00 C ATOM 633 C MET A 39 -6.453 1.479 0.903 1.00 0.00 C ATOM 634 O MET A 39 -7.039 0.425 0.751 1.00 0.00 O ATOM 635 CB MET A 39 -4.067 1.750 1.646 1.00 0.00 C ATOM 636 CG MET A 39 -4.357 0.600 2.614 1.00 0.00 C ATOM 637 SD MET A 39 -2.948 -0.535 2.642 1.00 0.00 S ATOM 638 CE MET A 39 -2.241 0.020 4.212 1.00 0.00 C ATOM 0 H MET A 39 -4.235 3.630 0.180 1.00 0.00 H new ATOM 0 HA MET A 39 -4.766 0.803 -0.193 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.029 1.707 1.315 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.202 2.707 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.543 0.991 3.614 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.258 0.070 2.306 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.263 -0.441 4.354 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.133 1.105 4.199 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.900 -0.269 5.030 1.00 0.00 H new ATOM 648 N VAL A 40 -7.035 2.500 1.469 1.00 0.00 N ATOM 649 CA VAL A 40 -8.444 2.389 1.945 1.00 0.00 C ATOM 650 C VAL A 40 -9.398 2.231 0.758 1.00 0.00 C ATOM 651 O VAL A 40 -10.359 1.490 0.818 1.00 0.00 O ATOM 652 CB VAL A 40 -8.718 3.701 2.681 1.00 0.00 C ATOM 653 CG1 VAL A 40 -8.749 4.853 1.676 1.00 0.00 C ATOM 654 CG2 VAL A 40 -10.068 3.612 3.395 1.00 0.00 C ATOM 0 H VAL A 40 -6.596 3.408 1.623 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.593 1.521 2.587 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.930 3.878 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.944 5.788 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.788 4.917 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.537 4.676 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.264 4.547 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.856 3.435 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.047 2.791 4.112 1.00 0.00 H new ATOM 664 N ASP A 41 -9.144 2.921 -0.318 1.00 0.00 N ATOM 665 CA ASP A 41 -10.042 2.808 -1.504 1.00 0.00 C ATOM 666 C ASP A 41 -10.042 1.373 -2.037 1.00 0.00 C ATOM 667 O ASP A 41 -11.079 0.788 -2.276 1.00 0.00 O ATOM 668 CB ASP A 41 -9.452 3.764 -2.540 1.00 0.00 C ATOM 669 CG ASP A 41 -10.536 4.163 -3.544 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.506 3.432 -3.660 1.00 0.00 O ATOM 671 OD2 ASP A 41 -10.378 5.194 -4.179 1.00 0.00 O ATOM 0 H ASP A 41 -8.355 3.558 -0.429 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.076 3.055 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.054 4.651 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.620 3.287 -3.058 1.00 0.00 H new ATOM 676 N VAL A 42 -8.885 0.801 -2.225 1.00 0.00 N ATOM 677 CA VAL A 42 -8.815 -0.595 -2.745 1.00 0.00 C ATOM 678 C VAL A 42 -9.345 -1.584 -1.701 1.00 0.00 C ATOM 679 O VAL A 42 -10.041 -2.525 -2.023 1.00 0.00 O ATOM 680 CB VAL A 42 -7.332 -0.844 -3.013 1.00 0.00 C ATOM 681 CG1 VAL A 42 -7.125 -2.302 -3.424 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.858 0.074 -4.143 1.00 0.00 C ATOM 0 H VAL A 42 -7.983 1.240 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.421 -0.729 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.760 -0.636 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.067 -2.479 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.464 -2.958 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.697 -2.510 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.800 -0.102 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.431 -0.135 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.005 1.114 -3.853 1.00 0.00 H new ATOM 692 N ALA A 43 -9.017 -1.381 -0.455 1.00 0.00 N ATOM 693 CA ALA A 43 -9.496 -2.315 0.604 1.00 0.00 C ATOM 694 C ALA A 43 -11.015 -2.225 0.751 1.00 0.00 C ATOM 695 O ALA A 43 -11.688 -3.215 0.951 1.00 0.00 O ATOM 696 CB ALA A 43 -8.806 -1.851 1.887 1.00 0.00 C ATOM 0 H ALA A 43 -8.438 -0.609 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.264 -3.353 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.109 -2.492 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.725 -1.909 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.091 -0.821 2.102 1.00 0.00 H new ATOM 702 N LYS A 44 -11.559 -1.048 0.652 1.00 0.00 N ATOM 703 CA LYS A 44 -13.036 -0.896 0.786 1.00 0.00 C ATOM 704 C LYS A 44 -13.742 -1.567 -0.395 1.00 0.00 C ATOM 705 O LYS A 44 -14.799 -2.148 -0.252 1.00 0.00 O ATOM 706 CB LYS A 44 -13.287 0.612 0.774 1.00 0.00 C ATOM 707 CG LYS A 44 -14.360 0.959 1.807 1.00 0.00 C ATOM 708 CD LYS A 44 -14.231 2.430 2.204 1.00 0.00 C ATOM 709 CE LYS A 44 -15.527 3.168 1.862 1.00 0.00 C ATOM 710 NZ LYS A 44 -15.110 4.571 1.586 1.00 0.00 N ATOM 0 H LYS A 44 -11.047 -0.182 0.484 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.418 -1.362 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.364 1.147 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.606 0.930 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.351 0.768 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.252 0.324 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.024 2.513 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.391 2.887 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.017 2.724 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.237 3.122 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.946 5.140 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.653 4.970 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.440 4.584 0.791 1.00 0.00 H new ATOM 724 N ALA A 45 -13.164 -1.490 -1.563 1.00 0.00 N ATOM 725 CA ALA A 45 -13.801 -2.122 -2.754 1.00 0.00 C ATOM 726 C ALA A 45 -13.889 -3.640 -2.570 1.00 0.00 C ATOM 727 O ALA A 45 -14.786 -4.282 -3.079 1.00 0.00 O ATOM 728 CB ALA A 45 -12.879 -1.777 -3.924 1.00 0.00 C ATOM 0 H ALA A 45 -12.279 -1.017 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.818 -1.765 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.279 -2.208 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.814 -0.694 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.885 -2.183 -3.736 1.00 0.00 H new ATOM 734 N LEU A 46 -12.967 -4.219 -1.850 1.00 0.00 N ATOM 735 CA LEU A 46 -13.008 -5.698 -1.645 1.00 0.00 C ATOM 736 C LEU A 46 -13.242 -6.024 -0.169 1.00 0.00 C ATOM 737 O LEU A 46 -13.478 -7.158 0.196 1.00 0.00 O ATOM 738 CB LEU A 46 -11.635 -6.198 -2.092 1.00 0.00 C ATOM 739 CG LEU A 46 -11.475 -5.974 -3.595 1.00 0.00 C ATOM 740 CD1 LEU A 46 -11.270 -4.485 -3.869 1.00 0.00 C ATOM 741 CD2 LEU A 46 -10.261 -6.758 -4.100 1.00 0.00 C ATOM 0 H LEU A 46 -12.191 -3.737 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.816 -6.168 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.850 -5.671 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.528 -7.257 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.371 -6.318 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.156 -4.325 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.134 -3.926 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.374 -4.140 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.146 -6.599 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.365 -6.414 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.407 -7.820 -3.904 1.00 0.00 H new ATOM 753 N ASN A 47 -13.180 -5.037 0.680 1.00 0.00 N ATOM 754 CA ASN A 47 -13.401 -5.287 2.136 1.00 0.00 C ATOM 755 C ASN A 47 -13.069 -4.031 2.950 1.00 0.00 C ATOM 756 O ASN A 47 -13.770 -3.040 2.890 1.00 0.00 O ATOM 757 CB ASN A 47 -12.450 -6.432 2.493 1.00 0.00 C ATOM 758 CG ASN A 47 -11.090 -6.193 1.835 1.00 0.00 C ATOM 759 OD1 ASN A 47 -10.421 -5.223 2.131 1.00 0.00 O ATOM 760 ND2 ASN A 47 -10.649 -7.043 0.947 1.00 0.00 N ATOM 0 H ASN A 47 -12.986 -4.067 0.431 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.438 -5.538 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.335 -6.499 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.866 -7.382 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.743 -6.892 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.210 -7.858 0.698 1.00 0.00 H new ATOM 767 N ARG A 48 -12.009 -4.062 3.713 1.00 0.00 N ATOM 768 CA ARG A 48 -11.641 -2.868 4.530 1.00 0.00 C ATOM 769 C ARG A 48 -10.131 -2.625 4.461 1.00 0.00 C ATOM 770 O ARG A 48 -9.387 -3.469 4.002 1.00 0.00 O ATOM 771 CB ARG A 48 -12.064 -3.221 5.958 1.00 0.00 C ATOM 772 CG ARG A 48 -13.441 -3.888 5.934 1.00 0.00 C ATOM 773 CD ARG A 48 -14.113 -3.720 7.299 1.00 0.00 C ATOM 774 NE ARG A 48 -14.130 -5.088 7.889 1.00 0.00 N ATOM 775 CZ ARG A 48 -15.153 -5.873 7.688 1.00 0.00 C ATOM 776 NH1 ARG A 48 -16.186 -5.814 8.482 1.00 0.00 N ATOM 777 NH2 ARG A 48 -15.142 -6.716 6.692 1.00 0.00 N ATOM 0 H ARG A 48 -11.382 -4.861 3.806 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.125 -1.958 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.332 -3.890 6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.095 -2.321 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.059 -3.442 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.340 -4.946 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.559 -3.025 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.122 -3.322 7.196 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.342 -5.411 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.194 -5.154 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.986 -6.427 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.334 -6.761 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.941 -7.330 6.534 1.00 0.00 H new ATOM 791 N PRO A 49 -9.728 -1.470 4.920 1.00 0.00 N ATOM 792 CA PRO A 49 -8.289 -1.104 4.911 1.00 0.00 C ATOM 793 C PRO A 49 -7.523 -1.907 5.966 1.00 0.00 C ATOM 794 O PRO A 49 -7.992 -2.087 7.073 1.00 0.00 O ATOM 795 CB PRO A 49 -8.296 0.382 5.256 1.00 0.00 C ATOM 796 CG PRO A 49 -9.571 0.600 6.007 1.00 0.00 C ATOM 797 CD PRO A 49 -10.565 -0.407 5.486 1.00 0.00 C ATOM 0 HA PRO A 49 -7.800 -1.314 3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.431 0.650 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.258 0.996 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.415 0.470 7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.937 1.616 5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.206 -0.785 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.219 0.031 4.732 1.00 0.00 H new ATOM 805 N PRO A 50 -6.361 -2.362 5.581 1.00 0.00 N ATOM 806 CA PRO A 50 -5.508 -3.156 6.500 1.00 0.00 C ATOM 807 C PRO A 50 -4.870 -2.250 7.558 1.00 0.00 C ATOM 808 O PRO A 50 -3.672 -2.264 7.758 1.00 0.00 O ATOM 809 CB PRO A 50 -4.445 -3.746 5.578 1.00 0.00 C ATOM 810 CG PRO A 50 -4.378 -2.812 4.411 1.00 0.00 C ATOM 811 CD PRO A 50 -5.740 -2.183 4.265 1.00 0.00 C ATOM 0 HA PRO A 50 -6.062 -3.918 7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.481 -3.816 6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.713 -4.754 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.617 -2.049 4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.103 -3.349 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.665 -1.128 4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.321 -2.668 3.481 1.00 0.00 H new ATOM 819 N THR A 51 -5.661 -1.465 8.237 1.00 0.00 N ATOM 820 CA THR A 51 -5.100 -0.561 9.282 1.00 0.00 C ATOM 821 C THR A 51 -4.565 -1.375 10.464 1.00 0.00 C ATOM 822 O THR A 51 -3.748 -0.910 11.231 1.00 0.00 O ATOM 823 CB THR A 51 -6.277 0.312 9.721 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.496 -0.344 9.404 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.215 1.658 8.997 1.00 0.00 C ATOM 0 H THR A 51 -6.672 -1.410 8.114 1.00 0.00 H new ATOM 0 HA THR A 51 -4.266 0.033 8.907 1.00 0.00 H new ATOM 0 HB THR A 51 -6.224 0.479 10.797 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.251 0.214 9.686 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.054 2.279 9.311 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.280 2.161 9.243 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.267 1.495 7.921 1.00 0.00 H new ATOM 833 N TYR A 52 -5.031 -2.584 10.621 1.00 0.00 N ATOM 834 CA TYR A 52 -4.558 -3.424 11.761 1.00 0.00 C ATOM 835 C TYR A 52 -3.210 -4.083 11.439 1.00 0.00 C ATOM 836 O TYR A 52 -2.265 -3.956 12.191 1.00 0.00 O ATOM 837 CB TYR A 52 -5.641 -4.487 11.940 1.00 0.00 C ATOM 838 CG TYR A 52 -6.594 -4.057 13.030 1.00 0.00 C ATOM 839 CD1 TYR A 52 -7.236 -2.815 12.949 1.00 0.00 C ATOM 840 CD2 TYR A 52 -6.837 -4.899 14.121 1.00 0.00 C ATOM 841 CE1 TYR A 52 -8.119 -2.416 13.959 1.00 0.00 C ATOM 842 CE2 TYR A 52 -7.720 -4.501 15.131 1.00 0.00 C ATOM 843 CZ TYR A 52 -8.362 -3.258 15.050 1.00 0.00 C ATOM 844 OH TYR A 52 -9.233 -2.865 16.045 1.00 0.00 O ATOM 0 H TYR A 52 -5.718 -3.027 10.011 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.403 -2.832 12.663 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.182 -4.631 11.005 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.187 -5.444 12.196 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.050 -2.165 12.107 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.342 -5.857 14.184 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.613 -1.458 13.896 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.907 -5.152 15.973 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.289 -3.567 16.727 1.00 0.00 H new ATOM 854 N PRO A 53 -3.171 -4.779 10.334 1.00 0.00 N ATOM 855 CA PRO A 53 -1.930 -5.481 9.918 1.00 0.00 C ATOM 856 C PRO A 53 -0.865 -4.490 9.429 1.00 0.00 C ATOM 857 O PRO A 53 0.206 -4.880 9.009 1.00 0.00 O ATOM 858 CB PRO A 53 -2.394 -6.384 8.779 1.00 0.00 C ATOM 859 CG PRO A 53 -3.622 -5.725 8.237 1.00 0.00 C ATOM 860 CD PRO A 53 -4.265 -4.978 9.377 1.00 0.00 C ATOM 0 HA PRO A 53 -1.465 -6.030 10.737 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.625 -6.478 8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.612 -7.390 9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.367 -5.044 7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.308 -6.466 7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.683 -4.027 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.082 -5.549 9.818 1.00 0.00 H new ATOM 868 N THR A 54 -1.142 -3.216 9.483 1.00 0.00 N ATOM 869 CA THR A 54 -0.132 -2.219 9.021 1.00 0.00 C ATOM 870 C THR A 54 1.090 -2.238 9.946 1.00 0.00 C ATOM 871 O THR A 54 2.152 -1.764 9.597 1.00 0.00 O ATOM 872 CB THR A 54 -0.840 -0.865 9.100 1.00 0.00 C ATOM 873 OG1 THR A 54 -1.672 -0.835 10.250 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.688 -0.652 7.847 1.00 0.00 C ATOM 0 H THR A 54 -2.019 -2.823 9.825 1.00 0.00 H new ATOM 0 HA THR A 54 0.225 -2.433 8.014 1.00 0.00 H new ATOM 0 HB THR A 54 -0.096 -0.071 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.499 -0.352 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.190 0.313 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.047 -0.673 6.966 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.433 -1.444 7.773 1.00 0.00 H new ATOM 882 N LYS A 55 0.942 -2.774 11.127 1.00 0.00 N ATOM 883 CA LYS A 55 2.090 -2.817 12.079 1.00 0.00 C ATOM 884 C LYS A 55 3.128 -3.856 11.637 1.00 0.00 C ATOM 885 O LYS A 55 4.318 -3.620 11.696 1.00 0.00 O ATOM 886 CB LYS A 55 1.474 -3.217 13.421 1.00 0.00 C ATOM 887 CG LYS A 55 2.573 -3.310 14.480 1.00 0.00 C ATOM 888 CD LYS A 55 2.402 -4.602 15.283 1.00 0.00 C ATOM 889 CE LYS A 55 1.475 -4.344 16.474 1.00 0.00 C ATOM 890 NZ LYS A 55 1.808 -5.412 17.457 1.00 0.00 N ATOM 0 H LYS A 55 0.075 -3.184 11.475 1.00 0.00 H new ATOM 0 HA LYS A 55 2.610 -1.861 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.725 -2.484 13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.963 -4.175 13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.553 -3.292 14.004 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.526 -2.447 15.145 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.987 -5.385 14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.372 -4.956 15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.641 -3.353 16.896 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.427 -4.393 16.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.213 -5.303 18.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.634 -6.344 17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.810 -5.336 17.726 1.00 0.00 H new ATOM 904 N TYR A 56 2.689 -5.006 11.202 1.00 0.00 N ATOM 905 CA TYR A 56 3.657 -6.056 10.767 1.00 0.00 C ATOM 906 C TYR A 56 4.539 -5.532 9.630 1.00 0.00 C ATOM 907 O TYR A 56 5.752 -5.609 9.684 1.00 0.00 O ATOM 908 CB TYR A 56 2.787 -7.215 10.280 1.00 0.00 C ATOM 909 CG TYR A 56 3.645 -8.441 10.081 1.00 0.00 C ATOM 910 CD1 TYR A 56 4.058 -9.193 11.188 1.00 0.00 C ATOM 911 CD2 TYR A 56 4.028 -8.827 8.791 1.00 0.00 C ATOM 912 CE1 TYR A 56 4.855 -10.330 11.003 1.00 0.00 C ATOM 913 CE2 TYR A 56 4.823 -9.964 8.607 1.00 0.00 C ATOM 914 CZ TYR A 56 5.236 -10.716 9.714 1.00 0.00 C ATOM 915 OH TYR A 56 6.020 -11.837 9.531 1.00 0.00 O ATOM 0 H TYR A 56 1.705 -5.264 11.129 1.00 0.00 H new ATOM 0 HA TYR A 56 4.328 -6.357 11.572 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.000 -7.423 11.005 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.296 -6.947 9.345 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.762 -8.897 12.183 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.710 -8.247 7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.175 -10.909 11.857 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.118 -10.261 7.612 1.00 0.00 H new ATOM 0 HH TYR A 56 6.192 -11.963 8.575 1.00 0.00 H new ATOM 925 N PHE A 57 3.942 -4.995 8.602 1.00 0.00 N ATOM 926 CA PHE A 57 4.750 -4.468 7.468 1.00 0.00 C ATOM 927 C PHE A 57 5.725 -3.401 7.973 1.00 0.00 C ATOM 928 O PHE A 57 6.876 -3.366 7.588 1.00 0.00 O ATOM 929 CB PHE A 57 3.732 -3.854 6.506 1.00 0.00 C ATOM 930 CG PHE A 57 2.860 -4.946 5.935 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.441 -6.122 5.446 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.470 -4.782 5.893 1.00 0.00 C ATOM 933 CE1 PHE A 57 2.632 -7.135 4.916 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.661 -5.794 5.362 1.00 0.00 C ATOM 935 CZ PHE A 57 1.242 -6.971 4.875 1.00 0.00 C ATOM 0 H PHE A 57 2.932 -4.899 8.499 1.00 0.00 H new ATOM 0 HA PHE A 57 5.345 -5.244 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.119 -3.119 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.246 -3.327 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.513 -6.248 5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.022 -3.875 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.080 -8.042 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.411 -5.667 5.328 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.618 -7.753 4.468 1.00 0.00 H new ATOM 945 N GLY A 58 5.272 -2.535 8.836 1.00 0.00 N ATOM 946 CA GLY A 58 6.170 -1.472 9.369 1.00 0.00 C ATOM 947 C GLY A 58 7.351 -2.113 10.100 1.00 0.00 C ATOM 948 O GLY A 58 8.459 -1.616 10.064 1.00 0.00 O ATOM 0 H GLY A 58 4.318 -2.517 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.531 -0.845 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.618 -0.823 10.049 1.00 0.00 H new ATOM 952 N CYS A 59 7.126 -3.211 10.765 1.00 0.00 N ATOM 953 CA CYS A 59 8.241 -3.876 11.497 1.00 0.00 C ATOM 954 C CYS A 59 9.386 -4.194 10.532 1.00 0.00 C ATOM 955 O CYS A 59 10.547 -4.099 10.877 1.00 0.00 O ATOM 956 CB CYS A 59 7.637 -5.163 12.058 1.00 0.00 C ATOM 957 SG CYS A 59 8.086 -5.331 13.804 1.00 0.00 S ATOM 0 H CYS A 59 6.221 -3.676 10.834 1.00 0.00 H new ATOM 0 HA CYS A 59 8.654 -3.246 12.285 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.552 -5.145 11.951 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.999 -6.023 11.494 1.00 0.00 H new ATOM 0 HG CYS A 59 7.570 -6.425 14.281 1.00 0.00 H new ATOM 963 N GLU A 60 9.067 -4.577 9.328 1.00 0.00 N ATOM 964 CA GLU A 60 10.135 -4.908 8.340 1.00 0.00 C ATOM 965 C GLU A 60 10.955 -3.661 7.983 1.00 0.00 C ATOM 966 O GLU A 60 12.170 -3.686 7.990 1.00 0.00 O ATOM 967 CB GLU A 60 9.388 -5.426 7.111 1.00 0.00 C ATOM 968 CG GLU A 60 8.939 -6.867 7.356 1.00 0.00 C ATOM 969 CD GLU A 60 7.628 -7.127 6.612 1.00 0.00 C ATOM 970 OE1 GLU A 60 7.680 -7.304 5.406 1.00 0.00 O ATOM 971 OE2 GLU A 60 6.594 -7.145 7.260 1.00 0.00 O ATOM 0 H GLU A 60 8.112 -4.676 8.983 1.00 0.00 H new ATOM 0 HA GLU A 60 10.840 -5.640 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.524 -4.795 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.033 -5.379 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.707 -7.561 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.804 -7.040 8.424 1.00 0.00 H new ATOM 978 N LEU A 61 10.305 -2.575 7.660 1.00 0.00 N ATOM 979 CA LEU A 61 11.060 -1.336 7.290 1.00 0.00 C ATOM 980 C LEU A 61 11.530 -0.582 8.540 1.00 0.00 C ATOM 981 O LEU A 61 11.965 0.549 8.462 1.00 0.00 O ATOM 982 CB LEU A 61 10.077 -0.481 6.483 1.00 0.00 C ATOM 983 CG LEU A 61 8.700 -0.493 7.150 1.00 0.00 C ATOM 984 CD1 LEU A 61 8.162 0.935 7.243 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.739 -1.342 6.314 1.00 0.00 C ATOM 0 H LEU A 61 9.289 -2.489 7.635 1.00 0.00 H new ATOM 0 HA LEU A 61 11.957 -1.573 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.446 0.542 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.000 -0.864 5.465 1.00 0.00 H new ATOM 0 HG LEU A 61 8.787 -0.914 8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.181 0.924 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.845 1.543 7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.075 1.357 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.757 -1.352 6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.655 -0.918 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.119 -2.361 6.246 1.00 0.00 H new ATOM 997 N GLY A 62 11.454 -1.196 9.689 1.00 0.00 N ATOM 998 CA GLY A 62 11.906 -0.506 10.935 1.00 0.00 C ATOM 999 C GLY A 62 10.995 0.689 11.230 1.00 0.00 C ATOM 1000 O GLY A 62 11.225 1.444 12.154 1.00 0.00 O ATOM 0 H GLY A 62 11.100 -2.143 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.889 -1.203 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.936 -0.169 10.821 1.00 0.00 H new ATOM 1004 N ALA A 63 9.960 0.861 10.458 1.00 0.00 N ATOM 1005 CA ALA A 63 9.023 1.998 10.690 1.00 0.00 C ATOM 1006 C ALA A 63 7.637 1.444 11.020 1.00 0.00 C ATOM 1007 O ALA A 63 7.362 0.288 10.787 1.00 0.00 O ATOM 1008 CB ALA A 63 8.997 2.768 9.374 1.00 0.00 C ATOM 0 H ALA A 63 9.720 0.259 9.670 1.00 0.00 H new ATOM 0 HA ALA A 63 9.328 2.638 11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.327 3.623 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.002 3.118 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.644 2.114 8.577 1.00 0.00 H new ATOM 1014 N GLN A 64 6.758 2.240 11.563 1.00 0.00 N ATOM 1015 CA GLN A 64 5.421 1.712 11.889 1.00 0.00 C ATOM 1016 C GLN A 64 4.379 2.325 10.959 1.00 0.00 C ATOM 1017 O GLN A 64 4.466 2.222 9.752 1.00 0.00 O ATOM 1018 CB GLN A 64 5.174 2.131 13.339 1.00 0.00 C ATOM 1019 CG GLN A 64 6.290 1.575 14.226 1.00 0.00 C ATOM 1020 CD GLN A 64 6.319 2.342 15.549 1.00 0.00 C ATOM 1021 OE1 GLN A 64 6.129 3.542 15.574 1.00 0.00 O ATOM 1022 NE2 GLN A 64 6.552 1.697 16.659 1.00 0.00 N ATOM 0 H GLN A 64 6.913 3.222 11.790 1.00 0.00 H new ATOM 0 HA GLN A 64 5.356 0.631 11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.142 3.218 13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.207 1.759 13.677 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.127 0.514 14.412 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.251 1.666 13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.712 0.690 16.640 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.574 2.200 17.546 1.00 0.00 H new ATOM 1031 N THR A 65 3.394 2.953 11.517 1.00 0.00 N ATOM 1032 CA THR A 65 2.329 3.571 10.677 1.00 0.00 C ATOM 1033 C THR A 65 1.737 4.804 11.363 1.00 0.00 C ATOM 1034 O THR A 65 1.991 5.070 12.521 1.00 0.00 O ATOM 1035 CB THR A 65 1.265 2.487 10.505 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.379 2.511 11.616 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.933 1.113 10.410 1.00 0.00 C ATOM 0 H THR A 65 3.274 3.069 12.523 1.00 0.00 H new ATOM 0 HA THR A 65 2.722 3.910 9.718 1.00 0.00 H new ATOM 0 HB THR A 65 0.705 2.676 9.589 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.480 2.894 11.341 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.169 0.345 10.288 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.607 1.095 9.554 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.499 0.920 11.321 1.00 0.00 H new ATOM 1045 N GLN A 66 0.928 5.544 10.656 1.00 0.00 N ATOM 1046 CA GLN A 66 0.285 6.749 11.257 1.00 0.00 C ATOM 1047 C GLN A 66 -1.125 6.880 10.685 1.00 0.00 C ATOM 1048 O GLN A 66 -1.349 6.634 9.516 1.00 0.00 O ATOM 1049 CB GLN A 66 1.157 7.929 10.826 1.00 0.00 C ATOM 1050 CG GLN A 66 1.059 9.045 11.868 1.00 0.00 C ATOM 1051 CD GLN A 66 -0.005 10.055 11.435 1.00 0.00 C ATOM 1052 OE1 GLN A 66 0.135 10.704 10.418 1.00 0.00 O ATOM 1053 NE2 GLN A 66 -1.072 10.216 12.170 1.00 0.00 N ATOM 0 H GLN A 66 0.683 5.366 9.682 1.00 0.00 H new ATOM 0 HA GLN A 66 0.205 6.698 12.343 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.193 7.608 10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.834 8.297 9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.804 8.627 12.842 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.023 9.541 11.977 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.190 9.671 13.024 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.788 10.887 11.890 1.00 0.00 H new ATOM 1062 N PHE A 67 -2.089 7.230 11.490 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.472 7.327 10.950 1.00 0.00 C ATOM 1064 C PHE A 67 -4.128 8.671 11.234 1.00 0.00 C ATOM 1065 O PHE A 67 -3.924 9.274 12.267 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.214 6.181 11.624 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.888 4.953 10.834 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.411 4.820 9.552 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.021 3.986 11.347 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -4.074 3.724 8.772 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -2.686 2.873 10.570 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.209 2.743 9.278 1.00 0.00 C ATOM 0 H PHE A 67 -1.983 7.449 12.480 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.484 7.256 9.862 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.900 6.071 12.662 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.288 6.364 11.633 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.081 5.572 9.163 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.611 4.097 12.340 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.478 3.626 7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.025 2.116 10.965 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.947 1.888 8.672 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.942 9.128 10.321 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.643 10.421 10.537 1.00 0.00 C ATOM 1084 C ASP A 68 -7.147 10.217 10.351 1.00 0.00 C ATOM 1085 O ASP A 68 -7.606 9.863 9.284 1.00 0.00 O ATOM 1086 CB ASP A 68 -5.086 11.363 9.471 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.558 11.285 9.467 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -3.002 10.891 10.479 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.971 11.621 8.451 1.00 0.00 O ATOM 0 H ASP A 68 -5.150 8.662 9.438 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.490 10.822 11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.477 11.091 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.408 12.385 9.670 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.918 10.436 11.380 1.00 0.00 N ATOM 1095 CA VAL A 69 -9.390 10.250 11.251 1.00 0.00 C ATOM 1096 C VAL A 69 -10.028 11.542 10.745 1.00 0.00 C ATOM 1097 O VAL A 69 -10.831 11.532 9.833 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.875 9.906 12.658 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -9.074 8.715 13.190 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -9.669 11.109 13.582 1.00 0.00 C ATOM 0 H VAL A 69 -7.594 10.734 12.300 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.656 9.467 10.541 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.935 9.653 12.625 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.417 8.466 14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.219 7.857 12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.016 8.973 13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.016 10.861 14.585 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.610 11.364 13.617 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.235 11.960 13.203 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.658 12.657 11.308 1.00 0.00 N ATOM 1111 CA LYS A 70 -10.226 13.944 10.830 1.00 0.00 C ATOM 1112 C LYS A 70 -9.678 14.233 9.432 1.00 0.00 C ATOM 1113 O LYS A 70 -10.107 15.147 8.757 1.00 0.00 O ATOM 1114 CB LYS A 70 -9.742 14.995 11.830 1.00 0.00 C ATOM 1115 CG LYS A 70 -10.089 16.392 11.310 1.00 0.00 C ATOM 1116 CD LYS A 70 -10.580 17.262 12.469 1.00 0.00 C ATOM 1117 CE LYS A 70 -12.099 17.131 12.598 1.00 0.00 C ATOM 1118 NZ LYS A 70 -12.590 18.524 12.793 1.00 0.00 N ATOM 0 H LYS A 70 -8.990 12.732 12.075 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.314 13.934 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.209 14.831 12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.665 14.906 11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.214 16.846 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.858 16.324 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.098 16.956 13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.307 18.303 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.534 16.680 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.370 16.495 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.625 18.517 12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.165 18.925 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.323 19.104 11.972 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.729 13.445 8.998 1.00 0.00 N ATOM 1133 CA ASN A 71 -8.139 13.650 7.648 1.00 0.00 C ATOM 1134 C ASN A 71 -8.371 12.411 6.777 1.00 0.00 C ATOM 1135 O ASN A 71 -8.389 12.495 5.566 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.645 13.864 7.892 1.00 0.00 C ATOM 1137 CG ASN A 71 -6.450 14.807 9.080 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -5.551 14.622 9.876 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -7.260 15.819 9.235 1.00 0.00 N ATOM 0 H ASN A 71 -8.337 12.665 9.526 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.588 14.495 7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.158 12.909 8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.177 14.283 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.138 16.454 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.015 15.975 8.567 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.549 11.258 7.381 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.780 10.023 6.573 1.00 0.00 C ATOM 1148 C ASP A 72 -7.512 9.654 5.813 1.00 0.00 C ATOM 1149 O ASP A 72 -7.533 8.875 4.880 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.866 10.408 5.584 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.965 11.196 6.299 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.146 10.978 7.486 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.607 12.004 5.649 1.00 0.00 O ATOM 0 H ASP A 72 -8.544 11.122 8.392 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.056 9.170 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.441 11.008 4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.287 9.513 5.126 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.413 10.217 6.201 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.134 9.916 5.500 1.00 0.00 C ATOM 1160 C ARG A 73 -4.191 9.174 6.442 1.00 0.00 C ATOM 1161 O ARG A 73 -3.962 9.586 7.562 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.555 11.280 5.124 1.00 0.00 C ATOM 1163 CG ARG A 73 -5.025 11.664 3.720 1.00 0.00 C ATOM 1164 CD ARG A 73 -5.538 13.105 3.728 1.00 0.00 C ATOM 1165 NE ARG A 73 -4.353 13.937 3.382 1.00 0.00 N ATOM 1166 CZ ARG A 73 -4.410 15.236 3.501 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -5.465 15.882 3.090 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -3.411 15.886 4.031 1.00 0.00 N ATOM 0 H ARG A 73 -6.339 10.876 6.976 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.278 9.284 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.874 12.033 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.466 11.247 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.204 11.563 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.815 10.988 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.341 13.242 3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.939 13.376 4.705 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.496 13.492 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.246 15.373 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.510 16.897 3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.586 15.380 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.455 16.901 4.124 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.653 8.076 5.999 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.735 7.296 6.872 1.00 0.00 C ATOM 1184 C TYR A 74 -1.316 7.314 6.301 1.00 0.00 C ATOM 1185 O TYR A 74 -1.101 7.058 5.134 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.309 5.877 6.872 1.00 0.00 C ATOM 1187 CG TYR A 74 -4.823 5.942 6.853 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.490 6.984 7.511 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -5.557 4.965 6.169 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.889 7.050 7.487 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -6.956 5.029 6.146 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.622 6.071 6.805 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.000 6.134 6.779 1.00 0.00 O ATOM 0 H TYR A 74 -3.808 7.684 5.070 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.667 7.706 7.880 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.947 5.327 6.003 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.969 5.336 7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.924 7.738 8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.045 4.162 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.401 7.855 7.994 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.522 4.275 5.620 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.352 5.379 6.262 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.345 7.617 7.118 1.00 0.00 N ATOM 1204 CA ILE A 75 1.061 7.654 6.624 1.00 0.00 C ATOM 1205 C ILE A 75 1.864 6.504 7.241 1.00 0.00 C ATOM 1206 O ILE A 75 1.621 6.098 8.358 1.00 0.00 O ATOM 1207 CB ILE A 75 1.601 9.016 7.077 1.00 0.00 C ATOM 1208 CG1 ILE A 75 2.153 9.770 5.866 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.717 8.828 8.109 1.00 0.00 C ATOM 1210 CD1 ILE A 75 2.224 11.265 6.182 1.00 0.00 C ATOM 0 H ILE A 75 -0.464 7.841 8.106 1.00 0.00 H new ATOM 0 HA ILE A 75 1.131 7.536 5.543 1.00 0.00 H new ATOM 0 HB ILE A 75 0.790 9.585 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.144 9.394 5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.516 9.601 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.091 9.803 8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.326 8.294 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.530 8.253 7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.617 11.801 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.226 11.635 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.879 11.425 7.038 1.00 0.00 H new ATOM 1222 N VAL A 76 2.822 5.983 6.528 1.00 0.00 N ATOM 1223 CA VAL A 76 3.640 4.869 7.081 1.00 0.00 C ATOM 1224 C VAL A 76 5.105 5.296 7.127 1.00 0.00 C ATOM 1225 O VAL A 76 5.635 5.825 6.171 1.00 0.00 O ATOM 1226 CB VAL A 76 3.445 3.702 6.111 1.00 0.00 C ATOM 1227 CG1 VAL A 76 3.852 2.396 6.795 1.00 0.00 C ATOM 1228 CG2 VAL A 76 1.973 3.622 5.698 1.00 0.00 C ATOM 0 H VAL A 76 3.074 6.281 5.586 1.00 0.00 H new ATOM 0 HA VAL A 76 3.346 4.593 8.094 1.00 0.00 H new ATOM 0 HB VAL A 76 4.064 3.858 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.713 1.565 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.900 2.451 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.234 2.240 7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.834 2.791 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.355 3.466 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.681 4.552 5.210 1.00 0.00 H new ATOM 1238 N ASN A 77 5.763 5.085 8.230 1.00 0.00 N ATOM 1239 CA ASN A 77 7.191 5.501 8.320 1.00 0.00 C ATOM 1240 C ASN A 77 8.053 4.674 7.363 1.00 0.00 C ATOM 1241 O ASN A 77 7.851 3.489 7.191 1.00 0.00 O ATOM 1242 CB ASN A 77 7.590 5.245 9.773 1.00 0.00 C ATOM 1243 CG ASN A 77 6.874 6.244 10.684 1.00 0.00 C ATOM 1244 OD1 ASN A 77 6.239 7.166 10.212 1.00 0.00 O ATOM 1245 ND2 ASN A 77 6.949 6.099 11.979 1.00 0.00 N ATOM 0 H ASN A 77 5.380 4.647 9.067 1.00 0.00 H new ATOM 0 HA ASN A 77 7.333 6.545 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.330 4.226 10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.670 5.342 9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.475 6.760 12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.482 5.325 12.375 1.00 0.00 H new ATOM 1252 N GLY A 78 9.011 5.296 6.733 1.00 0.00 N ATOM 1253 CA GLY A 78 9.888 4.554 5.785 1.00 0.00 C ATOM 1254 C GLY A 78 9.412 4.805 4.355 1.00 0.00 C ATOM 1255 O GLY A 78 8.229 4.801 4.077 1.00 0.00 O ATOM 0 H GLY A 78 9.224 6.288 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.922 4.879 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.863 3.487 6.007 1.00 0.00 H new ATOM 1259 N SER A 79 10.318 5.028 3.443 1.00 0.00 N ATOM 1260 CA SER A 79 9.898 5.279 2.038 1.00 0.00 C ATOM 1261 C SER A 79 9.972 3.995 1.217 1.00 0.00 C ATOM 1262 O SER A 79 11.029 3.432 1.007 1.00 0.00 O ATOM 1263 CB SER A 79 10.873 6.306 1.492 1.00 0.00 C ATOM 1264 OG SER A 79 12.190 5.770 1.522 1.00 0.00 O ATOM 0 H SER A 79 11.324 5.047 3.609 1.00 0.00 H new ATOM 0 HA SER A 79 8.868 5.632 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.601 6.575 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.827 7.219 2.085 1.00 0.00 H new ATOM 0 HG SER A 79 12.148 4.795 1.432 1.00 0.00 H new ATOM 1270 N HIS A 80 8.853 3.537 0.748 1.00 0.00 N ATOM 1271 CA HIS A 80 8.829 2.292 -0.072 1.00 0.00 C ATOM 1272 C HIS A 80 7.786 2.411 -1.187 1.00 0.00 C ATOM 1273 O HIS A 80 6.636 2.715 -0.939 1.00 0.00 O ATOM 1274 CB HIS A 80 8.457 1.170 0.903 1.00 0.00 C ATOM 1275 CG HIS A 80 7.512 1.695 1.952 1.00 0.00 C ATOM 1276 ND1 HIS A 80 7.962 2.284 3.123 1.00 0.00 N ATOM 1277 CD2 HIS A 80 6.140 1.723 2.022 1.00 0.00 C ATOM 1278 CE1 HIS A 80 6.880 2.638 3.842 1.00 0.00 C ATOM 1279 NE2 HIS A 80 5.745 2.319 3.217 1.00 0.00 N ATOM 0 H HIS A 80 7.943 3.972 0.896 1.00 0.00 H new ATOM 0 HA HIS A 80 9.787 2.101 -0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.992 0.346 0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.356 0.774 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.470 1.341 1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.925 3.121 4.807 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.792 2.478 3.544 1.00 0.00 H new ATOM 1287 N GLU A 81 8.168 2.168 -2.412 1.00 0.00 N ATOM 1288 CA GLU A 81 7.180 2.263 -3.526 1.00 0.00 C ATOM 1289 C GLU A 81 6.232 1.062 -3.480 1.00 0.00 C ATOM 1290 O GLU A 81 6.589 -0.003 -3.017 1.00 0.00 O ATOM 1291 CB GLU A 81 8.016 2.250 -4.809 1.00 0.00 C ATOM 1292 CG GLU A 81 7.212 1.618 -5.949 1.00 0.00 C ATOM 1293 CD GLU A 81 7.685 2.190 -7.287 1.00 0.00 C ATOM 1294 OE1 GLU A 81 7.609 3.396 -7.453 1.00 0.00 O ATOM 1295 OE2 GLU A 81 8.116 1.411 -8.122 1.00 0.00 O ATOM 0 H GLU A 81 9.115 1.909 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 81 6.564 3.160 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.304 3.267 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.937 1.690 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.338 0.535 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.149 1.817 -5.812 1.00 0.00 H new ATOM 1302 N ALA A 82 5.028 1.224 -3.953 1.00 0.00 N ATOM 1303 CA ALA A 82 4.061 0.091 -3.926 1.00 0.00 C ATOM 1304 C ALA A 82 4.687 -1.154 -4.561 1.00 0.00 C ATOM 1305 O ALA A 82 4.590 -2.246 -4.036 1.00 0.00 O ATOM 1306 CB ALA A 82 2.877 0.577 -4.758 1.00 0.00 C ATOM 0 H ALA A 82 4.672 2.090 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 82 3.769 -0.185 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.113 -0.199 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.460 1.477 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.212 0.801 -5.771 1.00 0.00 H new ATOM 1312 N ASN A 83 5.341 -0.998 -5.677 1.00 0.00 N ATOM 1313 CA ASN A 83 5.985 -2.170 -6.334 1.00 0.00 C ATOM 1314 C ASN A 83 7.112 -2.706 -5.450 1.00 0.00 C ATOM 1315 O ASN A 83 7.388 -3.889 -5.417 1.00 0.00 O ATOM 1316 CB ASN A 83 6.543 -1.631 -7.652 1.00 0.00 C ATOM 1317 CG ASN A 83 6.119 -2.547 -8.801 1.00 0.00 C ATOM 1318 OD1 ASN A 83 4.952 -2.628 -9.130 1.00 0.00 O ATOM 1319 ND2 ASN A 83 7.024 -3.247 -9.429 1.00 0.00 N ATOM 0 H ASN A 83 5.458 -0.109 -6.164 1.00 0.00 H new ATOM 0 HA ASN A 83 5.288 -2.991 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.178 -0.619 -7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.630 -1.573 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.752 -3.862 -10.196 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.004 -3.179 -9.153 1.00 0.00 H new ATOM 1326 N LYS A 84 7.770 -1.832 -4.743 1.00 0.00 N ATOM 1327 CA LYS A 84 8.894 -2.259 -3.861 1.00 0.00 C ATOM 1328 C LYS A 84 8.385 -3.110 -2.692 1.00 0.00 C ATOM 1329 O LYS A 84 9.044 -4.036 -2.266 1.00 0.00 O ATOM 1330 CB LYS A 84 9.504 -0.955 -3.344 1.00 0.00 C ATOM 1331 CG LYS A 84 11.027 -1.082 -3.311 1.00 0.00 C ATOM 1332 CD LYS A 84 11.509 -1.089 -1.859 1.00 0.00 C ATOM 1333 CE LYS A 84 12.162 0.256 -1.532 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.569 -0.079 -1.175 1.00 0.00 N ATOM 0 H LYS A 84 7.577 -0.831 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 84 9.617 -2.874 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.212 -0.125 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.125 -0.735 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.337 -1.999 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.483 -0.253 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.670 -1.271 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.222 -1.899 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.121 0.933 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.652 0.753 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.084 0.793 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.576 -0.720 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.031 -0.545 -1.982 1.00 0.00 H new ATOM 1348 N LEU A 85 7.234 -2.798 -2.159 1.00 0.00 N ATOM 1349 CA LEU A 85 6.709 -3.587 -1.002 1.00 0.00 C ATOM 1350 C LEU A 85 6.548 -5.060 -1.380 1.00 0.00 C ATOM 1351 O LEU A 85 6.924 -5.944 -0.637 1.00 0.00 O ATOM 1352 CB LEU A 85 5.347 -2.972 -0.686 1.00 0.00 C ATOM 1353 CG LEU A 85 5.536 -1.757 0.221 1.00 0.00 C ATOM 1354 CD1 LEU A 85 6.075 -0.591 -0.604 1.00 0.00 C ATOM 1355 CD2 LEU A 85 4.190 -1.368 0.836 1.00 0.00 C ATOM 0 H LEU A 85 6.635 -2.034 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 85 7.386 -3.552 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.846 -2.677 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.708 -3.708 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 85 6.242 -1.999 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.211 0.278 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.032 -0.869 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.367 -0.348 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.323 -0.501 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.484 -1.123 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.803 -2.202 1.421 1.00 0.00 H new ATOM 1367 N GLN A 86 5.998 -5.336 -2.527 1.00 0.00 N ATOM 1368 CA GLN A 86 5.827 -6.757 -2.938 1.00 0.00 C ATOM 1369 C GLN A 86 7.198 -7.399 -3.152 1.00 0.00 C ATOM 1370 O GLN A 86 7.406 -8.561 -2.861 1.00 0.00 O ATOM 1371 CB GLN A 86 5.046 -6.701 -4.251 1.00 0.00 C ATOM 1372 CG GLN A 86 4.861 -8.119 -4.796 1.00 0.00 C ATOM 1373 CD GLN A 86 3.633 -8.158 -5.709 1.00 0.00 C ATOM 1374 OE1 GLN A 86 2.586 -7.650 -5.359 1.00 0.00 O ATOM 1375 NE2 GLN A 86 3.717 -8.744 -6.871 1.00 0.00 N ATOM 0 H GLN A 86 5.660 -4.644 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 86 5.306 -7.351 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.075 -6.233 -4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.579 -6.087 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.749 -8.426 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.738 -8.823 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.596 -9.170 -7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.904 -8.776 -7.486 1.00 0.00 H new ATOM 1384 N ASP A 87 8.130 -6.650 -3.669 1.00 0.00 N ATOM 1385 CA ASP A 87 9.491 -7.204 -3.918 1.00 0.00 C ATOM 1386 C ASP A 87 10.231 -7.484 -2.604 1.00 0.00 C ATOM 1387 O ASP A 87 10.957 -8.451 -2.492 1.00 0.00 O ATOM 1388 CB ASP A 87 10.215 -6.119 -4.715 1.00 0.00 C ATOM 1389 CG ASP A 87 11.460 -6.715 -5.375 1.00 0.00 C ATOM 1390 OD1 ASP A 87 11.399 -7.864 -5.780 1.00 0.00 O ATOM 1391 OD2 ASP A 87 12.452 -6.012 -5.467 1.00 0.00 O ATOM 0 H ASP A 87 8.008 -5.672 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 87 9.446 -8.155 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.551 -5.706 -5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.497 -5.297 -4.057 1.00 0.00 H new