USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=12 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 144:sc= -4.02! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -17.8! C(o=-22!,f=-30!) USER MOD Set 2.1: A 64 GLN : amide:sc= -1.46 X(o=-4.1,f=-4) USER MOD Set 2.2: A 77 ASN : amide:sc= -2.62 K(o=-4.1,f=-2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= -0.12 (180deg=-1.12) USER MOD Single : A 38 ASN : amide:sc= -0.839! X(o=-0.84!,f=-1.1) USER MOD Single : A 39 MET CE :methyl -144:sc= -0.622 (180deg=-2.64!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -75:sc= -5.17! 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 65 THR OG1 : rot 129:sc= 0.35 USER MOD Single : A 66 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 135:sc= -1.71 (180deg=-3.99!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 25:sc= 0.795 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= -0.0216 X(o=-0.022,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -2.517 -1.198 -5.791 1.00 0.00 N ATOM 354 CA LEU A 21 -2.021 -0.477 -4.583 1.00 0.00 C ATOM 355 C LEU A 21 -1.037 0.621 -4.990 1.00 0.00 C ATOM 356 O LEU A 21 -0.150 0.407 -5.792 1.00 0.00 O ATOM 357 CB LEU A 21 -1.319 -1.545 -3.745 1.00 0.00 C ATOM 358 CG LEU A 21 -0.935 -0.959 -2.386 1.00 0.00 C ATOM 359 CD1 LEU A 21 -0.896 -2.075 -1.341 1.00 0.00 C ATOM 360 CD2 LEU A 21 0.447 -0.307 -2.486 1.00 0.00 C ATOM 0 HA LEU A 21 -2.826 0.008 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.975 -2.405 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.429 -1.902 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.671 -0.211 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.622 -1.657 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.878 -2.542 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.159 -2.823 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.723 0.112 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.182 -1.056 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.421 0.488 -3.231 1.00 0.00 H new ATOM 372 N ILE A 22 -1.184 1.798 -4.444 1.00 0.00 N ATOM 373 CA ILE A 22 -0.254 2.907 -4.801 1.00 0.00 C ATOM 374 C ILE A 22 0.262 3.594 -3.534 1.00 0.00 C ATOM 375 O ILE A 22 -0.492 3.904 -2.633 1.00 0.00 O ATOM 376 CB ILE A 22 -1.095 3.877 -5.632 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.845 3.099 -6.717 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.182 4.913 -6.289 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.702 4.064 -7.537 1.00 0.00 C ATOM 0 H ILE A 22 -1.907 2.039 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 22 0.620 2.553 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.811 4.383 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.136 2.584 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.474 2.334 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.782 5.604 -6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.354 5.467 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.534 4.408 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.236 3.510 -8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.420 4.558 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.062 4.812 -8.004 1.00 0.00 H new ATOM 391 N ALA A 23 1.542 3.836 -3.458 1.00 0.00 N ATOM 392 CA ALA A 23 2.106 4.503 -2.249 1.00 0.00 C ATOM 393 C ALA A 23 2.849 5.780 -2.651 1.00 0.00 C ATOM 394 O ALA A 23 3.436 5.861 -3.712 1.00 0.00 O ATOM 395 CB ALA A 23 3.075 3.484 -1.649 1.00 0.00 C ATOM 0 H ALA A 23 2.222 3.601 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 23 1.333 4.795 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.533 3.901 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.532 2.575 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.852 3.248 -2.377 1.00 0.00 H new ATOM 401 N LYS A 24 2.831 6.779 -1.811 1.00 0.00 N ATOM 402 CA LYS A 24 3.536 8.048 -2.148 1.00 0.00 C ATOM 403 C LYS A 24 4.661 8.314 -1.143 1.00 0.00 C ATOM 404 O LYS A 24 4.497 8.140 0.049 1.00 0.00 O ATOM 405 CB LYS A 24 2.464 9.134 -2.054 1.00 0.00 C ATOM 406 CG LYS A 24 2.160 9.672 -3.453 1.00 0.00 C ATOM 407 CD LYS A 24 0.955 8.931 -4.035 1.00 0.00 C ATOM 408 CE LYS A 24 -0.329 9.682 -3.674 1.00 0.00 C ATOM 409 NZ LYS A 24 -0.935 10.059 -4.981 1.00 0.00 N ATOM 0 H LYS A 24 2.359 6.771 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 24 3.996 8.014 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.558 8.728 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.806 9.943 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.954 10.741 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.027 9.542 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.051 8.853 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.916 7.914 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.004 9.054 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.114 10.563 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.821 10.578 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.273 10.663 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.135 9.200 -5.532 1.00 0.00 H new ATOM 423 N VAL A 25 5.802 8.735 -1.616 1.00 0.00 N ATOM 424 CA VAL A 25 6.937 9.013 -0.690 1.00 0.00 C ATOM 425 C VAL A 25 6.999 10.507 -0.362 1.00 0.00 C ATOM 426 O VAL A 25 6.875 11.348 -1.229 1.00 0.00 O ATOM 427 CB VAL A 25 8.189 8.581 -1.455 1.00 0.00 C ATOM 428 CG1 VAL A 25 8.215 9.271 -2.821 1.00 0.00 C ATOM 429 CG2 VAL A 25 9.434 8.979 -0.661 1.00 0.00 C ATOM 0 H VAL A 25 5.998 8.899 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 25 6.835 8.483 0.257 1.00 0.00 H new ATOM 0 HB VAL A 25 8.175 7.500 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.107 8.964 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.328 8.989 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.229 10.352 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.327 8.671 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.448 10.060 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.416 8.489 0.313 1.00 0.00 H new ATOM 439 N GLU A 26 7.188 10.843 0.885 1.00 0.00 N ATOM 440 CA GLU A 26 7.257 12.283 1.264 1.00 0.00 C ATOM 441 C GLU A 26 8.672 12.641 1.725 1.00 0.00 C ATOM 442 O GLU A 26 9.306 11.899 2.451 1.00 0.00 O ATOM 443 CB GLU A 26 6.262 12.437 2.416 1.00 0.00 C ATOM 444 CG GLU A 26 5.162 13.419 2.012 1.00 0.00 C ATOM 445 CD GLU A 26 4.851 14.348 3.187 1.00 0.00 C ATOM 446 OE1 GLU A 26 4.833 13.869 4.309 1.00 0.00 O ATOM 447 OE2 GLU A 26 4.635 15.525 2.946 1.00 0.00 O ATOM 0 H GLU A 26 7.297 10.184 1.656 1.00 0.00 H new ATOM 0 HA GLU A 26 7.019 12.942 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.827 11.470 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.775 12.796 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.480 14.002 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.265 12.875 1.717 1.00 0.00 H new ATOM 511 N ILE A 32 11.809 10.462 6.075 1.00 0.00 N ATOM 512 CA ILE A 32 11.134 9.776 4.935 1.00 0.00 C ATOM 513 C ILE A 32 9.810 9.169 5.412 1.00 0.00 C ATOM 514 O ILE A 32 9.782 8.175 6.110 1.00 0.00 O ATOM 515 CB ILE A 32 12.123 8.693 4.476 1.00 0.00 C ATOM 516 CG1 ILE A 32 12.612 9.021 3.062 1.00 0.00 C ATOM 517 CG2 ILE A 32 11.445 7.320 4.466 1.00 0.00 C ATOM 518 CD1 ILE A 32 11.412 9.329 2.166 1.00 0.00 C ATOM 0 HA ILE A 32 10.889 10.452 4.116 1.00 0.00 H new ATOM 0 HB ILE A 32 12.965 8.669 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.288 9.875 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.176 8.181 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.159 6.564 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.096 7.079 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.597 7.338 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.760 9.562 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.753 8.462 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.867 10.183 2.569 1.00 0.00 H new ATOM 530 N LYS A 33 8.712 9.770 5.048 1.00 0.00 N ATOM 531 CA LYS A 33 7.387 9.240 5.482 1.00 0.00 C ATOM 532 C LYS A 33 6.607 8.704 4.277 1.00 0.00 C ATOM 533 O LYS A 33 6.529 9.340 3.245 1.00 0.00 O ATOM 534 CB LYS A 33 6.670 10.445 6.094 1.00 0.00 C ATOM 535 CG LYS A 33 7.171 10.666 7.524 1.00 0.00 C ATOM 536 CD LYS A 33 5.983 10.669 8.489 1.00 0.00 C ATOM 537 CE LYS A 33 5.056 11.840 8.157 1.00 0.00 C ATOM 538 NZ LYS A 33 4.039 11.845 9.244 1.00 0.00 N ATOM 0 H LYS A 33 8.674 10.608 4.467 1.00 0.00 H new ATOM 0 HA LYS A 33 7.480 8.414 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.853 11.335 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.593 10.278 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.874 9.880 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.708 11.612 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.438 9.728 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.336 10.752 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.605 12.781 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.590 11.710 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.167 12.296 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.833 10.867 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.405 12.376 10.060 1.00 0.00 H new ATOM 552 N THR A 34 6.027 7.540 4.400 1.00 0.00 N ATOM 553 CA THR A 34 5.252 6.971 3.256 1.00 0.00 C ATOM 554 C THR A 34 3.759 7.262 3.432 1.00 0.00 C ATOM 555 O THR A 34 3.149 6.858 4.399 1.00 0.00 O ATOM 556 CB THR A 34 5.518 5.463 3.302 1.00 0.00 C ATOM 557 OG1 THR A 34 6.682 5.173 2.545 1.00 0.00 O ATOM 558 CG2 THR A 34 4.326 4.706 2.711 1.00 0.00 C ATOM 0 H THR A 34 6.055 6.960 5.238 1.00 0.00 H new ATOM 0 HA THR A 34 5.549 7.405 2.301 1.00 0.00 H new ATOM 0 HB THR A 34 5.662 5.152 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.185 4.453 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.522 3.634 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.430 4.931 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.177 5.013 1.676 1.00 0.00 H new ATOM 566 N VAL A 35 3.167 7.958 2.501 1.00 0.00 N ATOM 567 CA VAL A 35 1.714 8.269 2.619 1.00 0.00 C ATOM 568 C VAL A 35 0.898 7.334 1.721 1.00 0.00 C ATOM 569 O VAL A 35 1.059 7.315 0.516 1.00 0.00 O ATOM 570 CB VAL A 35 1.583 9.720 2.154 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.689 10.562 2.792 1.00 0.00 C ATOM 572 CG2 VAL A 35 1.713 9.783 0.631 1.00 0.00 C ATOM 0 H VAL A 35 3.624 8.324 1.666 1.00 0.00 H new ATOM 0 HA VAL A 35 1.341 8.133 3.634 1.00 0.00 H new ATOM 0 HB VAL A 35 0.610 10.109 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.596 11.596 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.599 10.519 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.662 10.172 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.620 10.817 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.686 9.393 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.926 9.183 0.174 1.00 0.00 H new ATOM 582 N ILE A 36 0.029 6.554 2.302 1.00 0.00 N ATOM 583 CA ILE A 36 -0.796 5.615 1.489 1.00 0.00 C ATOM 584 C ILE A 36 -2.154 6.252 1.163 1.00 0.00 C ATOM 585 O ILE A 36 -2.976 6.469 2.031 1.00 0.00 O ATOM 586 CB ILE A 36 -0.949 4.371 2.377 1.00 0.00 C ATOM 587 CG1 ILE A 36 -0.436 3.144 1.621 1.00 0.00 C ATOM 588 CG2 ILE A 36 -2.417 4.158 2.755 1.00 0.00 C ATOM 589 CD1 ILE A 36 1.048 2.936 1.930 1.00 0.00 C ATOM 0 H ILE A 36 -0.146 6.526 3.306 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.342 5.368 0.529 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.370 4.516 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.006 2.261 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.580 3.278 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.506 3.272 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.782 5.028 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.010 4.021 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.413 2.062 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.611 3.816 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.179 2.782 3.001 1.00 0.00 H new ATOM 601 N VAL A 37 -2.389 6.563 -0.084 1.00 0.00 N ATOM 602 CA VAL A 37 -3.687 7.193 -0.465 1.00 0.00 C ATOM 603 C VAL A 37 -4.637 6.158 -1.081 1.00 0.00 C ATOM 604 O VAL A 37 -5.812 6.125 -0.777 1.00 0.00 O ATOM 605 CB VAL A 37 -3.318 8.260 -1.495 1.00 0.00 C ATOM 606 CG1 VAL A 37 -4.529 9.157 -1.760 1.00 0.00 C ATOM 607 CG2 VAL A 37 -2.166 9.110 -0.955 1.00 0.00 C ATOM 0 H VAL A 37 -1.739 6.408 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.205 7.612 0.398 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.013 7.777 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.265 9.918 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.352 8.553 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.834 9.640 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.901 9.872 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.473 9.591 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.302 8.473 -0.765 1.00 0.00 H new ATOM 617 N ASN A 38 -4.141 5.325 -1.956 1.00 0.00 N ATOM 618 CA ASN A 38 -5.023 4.306 -2.602 1.00 0.00 C ATOM 619 C ASN A 38 -5.005 2.989 -1.819 1.00 0.00 C ATOM 620 O ASN A 38 -5.596 2.010 -2.227 1.00 0.00 O ATOM 621 CB ASN A 38 -4.432 4.104 -3.997 1.00 0.00 C ATOM 622 CG ASN A 38 -5.444 3.371 -4.880 1.00 0.00 C ATOM 623 OD1 ASN A 38 -6.065 3.968 -5.737 1.00 0.00 O ATOM 624 ND2 ASN A 38 -5.638 2.092 -4.706 1.00 0.00 N ATOM 0 H ASN A 38 -3.165 5.305 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.063 4.632 -2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.179 5.068 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.508 3.530 -3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.311 1.594 -5.289 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.117 1.590 -3.987 1.00 0.00 H new ATOM 631 N MET A 39 -4.338 2.954 -0.699 1.00 0.00 N ATOM 632 CA MET A 39 -4.293 1.694 0.097 1.00 0.00 C ATOM 633 C MET A 39 -5.695 1.331 0.594 1.00 0.00 C ATOM 634 O MET A 39 -6.041 0.173 0.714 1.00 0.00 O ATOM 635 CB MET A 39 -3.371 2.000 1.275 1.00 0.00 C ATOM 636 CG MET A 39 -2.754 0.700 1.793 1.00 0.00 C ATOM 637 SD MET A 39 -2.761 0.707 3.602 1.00 0.00 S ATOM 638 CE MET A 39 -0.990 0.413 3.836 1.00 0.00 C ATOM 0 H MET A 39 -3.824 3.740 -0.301 1.00 0.00 H new ATOM 0 HA MET A 39 -3.935 0.849 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.585 2.690 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.931 2.491 2.071 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.317 -0.156 1.420 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.734 0.597 1.423 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.839 -0.222 4.709 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.583 -0.081 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.480 1.364 3.986 1.00 0.00 H new ATOM 648 N VAL A 40 -6.503 2.313 0.885 1.00 0.00 N ATOM 649 CA VAL A 40 -7.881 2.023 1.374 1.00 0.00 C ATOM 650 C VAL A 40 -8.650 1.208 0.332 1.00 0.00 C ATOM 651 O VAL A 40 -9.407 0.315 0.661 1.00 0.00 O ATOM 652 CB VAL A 40 -8.529 3.394 1.568 1.00 0.00 C ATOM 653 CG1 VAL A 40 -7.753 4.181 2.625 1.00 0.00 C ATOM 654 CG2 VAL A 40 -8.504 4.160 0.243 1.00 0.00 C ATOM 0 H VAL A 40 -6.269 3.303 0.806 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.879 1.440 2.295 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.560 3.265 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.215 5.158 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.768 3.636 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.721 4.311 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.966 5.138 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.472 4.288 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.056 3.600 -0.512 1.00 0.00 H new ATOM 664 N ASP A 41 -8.462 1.506 -0.925 1.00 0.00 N ATOM 665 CA ASP A 41 -9.181 0.747 -1.987 1.00 0.00 C ATOM 666 C ASP A 41 -8.741 -0.720 -1.978 1.00 0.00 C ATOM 667 O ASP A 41 -9.555 -1.621 -2.019 1.00 0.00 O ATOM 668 CB ASP A 41 -8.773 1.420 -3.298 1.00 0.00 C ATOM 669 CG ASP A 41 -10.025 1.870 -4.053 1.00 0.00 C ATOM 670 OD1 ASP A 41 -10.768 1.009 -4.494 1.00 0.00 O ATOM 671 OD2 ASP A 41 -10.220 3.068 -4.176 1.00 0.00 O ATOM 0 H ASP A 41 -7.842 2.242 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.261 0.756 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.131 2.277 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.196 0.727 -3.910 1.00 0.00 H new ATOM 676 N VAL A 42 -7.462 -0.965 -1.925 1.00 0.00 N ATOM 677 CA VAL A 42 -6.971 -2.373 -1.913 1.00 0.00 C ATOM 678 C VAL A 42 -7.497 -3.105 -0.676 1.00 0.00 C ATOM 679 O VAL A 42 -8.012 -4.201 -0.763 1.00 0.00 O ATOM 680 CB VAL A 42 -5.448 -2.261 -1.865 1.00 0.00 C ATOM 681 CG1 VAL A 42 -4.847 -3.602 -1.442 1.00 0.00 C ATOM 682 CG2 VAL A 42 -4.922 -1.884 -3.252 1.00 0.00 C ATOM 0 H VAL A 42 -6.734 -0.251 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.310 -2.937 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.164 -1.494 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.761 -3.519 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.221 -3.873 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.130 -4.371 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.835 -1.804 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.208 -2.652 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.348 -0.927 -3.555 1.00 0.00 H new ATOM 692 N ALA A 43 -7.371 -2.505 0.475 1.00 0.00 N ATOM 693 CA ALA A 43 -7.864 -3.165 1.719 1.00 0.00 C ATOM 694 C ALA A 43 -9.350 -3.505 1.585 1.00 0.00 C ATOM 695 O ALA A 43 -9.817 -4.507 2.089 1.00 0.00 O ATOM 696 CB ALA A 43 -7.646 -2.134 2.826 1.00 0.00 C ATOM 0 H ALA A 43 -6.948 -1.586 0.609 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.343 -4.100 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.985 -2.544 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.586 -1.891 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.212 -1.231 2.598 1.00 0.00 H new ATOM 702 N LYS A 44 -10.093 -2.675 0.910 1.00 0.00 N ATOM 703 CA LYS A 44 -11.551 -2.944 0.742 1.00 0.00 C ATOM 704 C LYS A 44 -11.764 -4.306 0.073 1.00 0.00 C ATOM 705 O LYS A 44 -12.547 -5.115 0.529 1.00 0.00 O ATOM 706 CB LYS A 44 -12.059 -1.819 -0.159 1.00 0.00 C ATOM 707 CG LYS A 44 -13.554 -2.010 -0.425 1.00 0.00 C ATOM 708 CD LYS A 44 -13.779 -2.283 -1.913 1.00 0.00 C ATOM 709 CE LYS A 44 -14.919 -3.288 -2.083 1.00 0.00 C ATOM 710 NZ LYS A 44 -14.629 -3.987 -3.366 1.00 0.00 N ATOM 0 H LYS A 44 -9.755 -1.821 0.466 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.079 -2.973 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.884 -0.853 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.509 -1.817 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.936 -2.840 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.105 -1.120 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.019 -1.355 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.866 -2.673 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.953 -3.990 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.886 -2.786 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.369 -4.694 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.609 -3.295 -4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.706 -4.462 -3.302 1.00 0.00 H new ATOM 724 N ALA A 45 -11.073 -4.564 -1.003 1.00 0.00 N ATOM 725 CA ALA A 45 -11.238 -5.873 -1.697 1.00 0.00 C ATOM 726 C ALA A 45 -10.785 -7.015 -0.781 1.00 0.00 C ATOM 727 O ALA A 45 -11.173 -8.154 -0.955 1.00 0.00 O ATOM 728 CB ALA A 45 -10.338 -5.786 -2.929 1.00 0.00 C ATOM 0 H ALA A 45 -10.402 -3.926 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.276 -6.071 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.405 -6.715 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.660 -4.955 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.307 -5.625 -2.615 1.00 0.00 H new ATOM 734 N LEU A 46 -9.969 -6.717 0.191 1.00 0.00 N ATOM 735 CA LEU A 46 -9.491 -7.784 1.118 1.00 0.00 C ATOM 736 C LEU A 46 -10.505 -7.991 2.250 1.00 0.00 C ATOM 737 O LEU A 46 -10.411 -8.927 3.018 1.00 0.00 O ATOM 738 CB LEU A 46 -8.164 -7.255 1.664 1.00 0.00 C ATOM 739 CG LEU A 46 -7.399 -8.391 2.341 1.00 0.00 C ATOM 740 CD1 LEU A 46 -5.930 -7.996 2.496 1.00 0.00 C ATOM 741 CD2 LEU A 46 -8.005 -8.649 3.719 1.00 0.00 C ATOM 0 H LEU A 46 -9.612 -5.782 0.385 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.372 -8.749 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.568 -6.834 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.347 -6.451 2.377 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.467 -9.294 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.384 -8.807 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.499 -7.804 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.858 -7.096 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.464 -9.459 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.931 -7.745 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.053 -8.927 3.609 1.00 0.00 H new ATOM 753 N ASN A 47 -11.478 -7.121 2.342 1.00 0.00 N ATOM 754 CA ASN A 47 -12.524 -7.240 3.409 1.00 0.00 C ATOM 755 C ASN A 47 -12.033 -6.614 4.718 1.00 0.00 C ATOM 756 O ASN A 47 -12.794 -6.025 5.458 1.00 0.00 O ATOM 757 CB ASN A 47 -12.767 -8.741 3.587 1.00 0.00 C ATOM 758 CG ASN A 47 -14.257 -8.992 3.823 1.00 0.00 C ATOM 759 OD1 ASN A 47 -14.657 -9.368 4.907 1.00 0.00 O ATOM 760 ND2 ASN A 47 -15.102 -8.798 2.847 1.00 0.00 N ATOM 0 H ASN A 47 -11.596 -6.323 1.717 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.439 -6.716 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.432 -9.282 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.186 -9.117 4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.098 -8.962 2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.766 -8.482 1.937 1.00 0.00 H new ATOM 767 N ARG A 48 -10.768 -6.738 5.009 1.00 0.00 N ATOM 768 CA ARG A 48 -10.231 -6.149 6.269 1.00 0.00 C ATOM 769 C ARG A 48 -9.701 -4.736 6.009 1.00 0.00 C ATOM 770 O ARG A 48 -9.315 -4.412 4.903 1.00 0.00 O ATOM 771 CB ARG A 48 -9.093 -7.080 6.687 1.00 0.00 C ATOM 772 CG ARG A 48 -9.447 -7.757 8.013 1.00 0.00 C ATOM 773 CD ARG A 48 -10.414 -8.915 7.754 1.00 0.00 C ATOM 774 NE ARG A 48 -11.644 -8.567 8.518 1.00 0.00 N ATOM 775 CZ ARG A 48 -12.820 -8.800 8.004 1.00 0.00 C ATOM 776 NH1 ARG A 48 -13.219 -10.028 7.816 1.00 0.00 N ATOM 777 NH2 ARG A 48 -13.597 -7.804 7.676 1.00 0.00 N ATOM 0 H ARG A 48 -10.082 -7.222 4.429 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.994 -6.064 7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.923 -7.832 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.167 -6.515 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.543 -8.126 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.901 -7.035 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.627 -9.021 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.994 -9.863 8.091 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.567 -8.146 9.444 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.611 -10.806 8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.139 -10.210 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.285 -6.844 7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.517 -7.986 7.274 1.00 0.00 H new ATOM 791 N PRO A 49 -9.700 -3.942 7.044 1.00 0.00 N ATOM 792 CA PRO A 49 -9.212 -2.546 6.935 1.00 0.00 C ATOM 793 C PRO A 49 -7.685 -2.523 6.813 1.00 0.00 C ATOM 794 O PRO A 49 -7.009 -3.395 7.319 1.00 0.00 O ATOM 795 CB PRO A 49 -9.663 -1.906 8.245 1.00 0.00 C ATOM 796 CG PRO A 49 -9.795 -3.044 9.207 1.00 0.00 C ATOM 797 CD PRO A 49 -10.150 -4.267 8.402 1.00 0.00 C ATOM 0 HA PRO A 49 -9.595 -2.024 6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.936 -1.174 8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.610 -1.381 8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.863 -3.198 9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.566 -2.834 9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.650 -5.156 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.221 -4.466 8.430 1.00 0.00 H new ATOM 805 N PRO A 50 -7.196 -1.517 6.141 1.00 0.00 N ATOM 806 CA PRO A 50 -5.733 -1.369 5.946 1.00 0.00 C ATOM 807 C PRO A 50 -5.060 -0.928 7.249 1.00 0.00 C ATOM 808 O PRO A 50 -3.878 -1.125 7.447 1.00 0.00 O ATOM 809 CB PRO A 50 -5.622 -0.282 4.881 1.00 0.00 C ATOM 810 CG PRO A 50 -6.888 0.507 4.999 1.00 0.00 C ATOM 811 CD PRO A 50 -7.952 -0.432 5.506 1.00 0.00 C ATOM 0 HA PRO A 50 -5.244 -2.298 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.748 0.347 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.517 -0.714 3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.757 1.345 5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.172 0.925 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.614 0.062 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.577 -0.803 4.693 1.00 0.00 H new ATOM 819 N THR A 51 -5.806 -0.331 8.138 1.00 0.00 N ATOM 820 CA THR A 51 -5.211 0.124 9.426 1.00 0.00 C ATOM 821 C THR A 51 -4.765 -1.081 10.260 1.00 0.00 C ATOM 822 O THR A 51 -3.931 -0.967 11.136 1.00 0.00 O ATOM 823 CB THR A 51 -6.336 0.882 10.136 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.553 0.165 9.987 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.482 2.274 9.519 1.00 0.00 C ATOM 0 H THR A 51 -6.802 -0.139 8.028 1.00 0.00 H new ATOM 0 HA THR A 51 -4.330 0.748 9.276 1.00 0.00 H new ATOM 0 HB THR A 51 -6.099 0.980 11.195 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.275 0.647 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.283 2.814 10.024 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.547 2.822 9.633 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.720 2.179 8.460 1.00 0.00 H new ATOM 833 N TYR A 52 -5.317 -2.234 9.997 1.00 0.00 N ATOM 834 CA TYR A 52 -4.927 -3.443 10.777 1.00 0.00 C ATOM 835 C TYR A 52 -3.602 -4.019 10.262 1.00 0.00 C ATOM 836 O TYR A 52 -2.660 -4.172 11.013 1.00 0.00 O ATOM 837 CB TYR A 52 -6.065 -4.439 10.553 1.00 0.00 C ATOM 838 CG TYR A 52 -6.687 -4.800 11.880 1.00 0.00 C ATOM 839 CD1 TYR A 52 -5.884 -5.287 12.920 1.00 0.00 C ATOM 840 CD2 TYR A 52 -8.065 -4.648 12.072 1.00 0.00 C ATOM 841 CE1 TYR A 52 -6.461 -5.621 14.151 1.00 0.00 C ATOM 842 CE2 TYR A 52 -8.641 -4.982 13.304 1.00 0.00 C ATOM 843 CZ TYR A 52 -7.839 -5.469 14.343 1.00 0.00 C ATOM 844 OH TYR A 52 -8.407 -5.799 15.557 1.00 0.00 O ATOM 0 H TYR A 52 -6.021 -2.391 9.276 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.778 -3.216 11.833 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.817 -4.006 9.893 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.687 -5.335 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.821 -5.405 12.772 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.684 -4.273 11.270 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.842 -5.996 14.953 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.704 -4.864 13.453 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.372 -5.633 15.523 1.00 0.00 H new ATOM 854 N PRO A 53 -3.580 -4.328 8.994 1.00 0.00 N ATOM 855 CA PRO A 53 -2.364 -4.907 8.368 1.00 0.00 C ATOM 856 C PRO A 53 -1.273 -3.843 8.196 1.00 0.00 C ATOM 857 O PRO A 53 -0.215 -4.110 7.660 1.00 0.00 O ATOM 858 CB PRO A 53 -2.858 -5.397 7.011 1.00 0.00 C ATOM 859 CG PRO A 53 -4.062 -4.561 6.709 1.00 0.00 C ATOM 860 CD PRO A 53 -4.676 -4.172 8.030 1.00 0.00 C ATOM 0 HA PRO A 53 -1.917 -5.698 8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.092 -5.276 6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.112 -6.457 7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.782 -3.675 6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.775 -5.119 6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.047 -3.147 8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.522 -4.813 8.281 1.00 0.00 H new ATOM 868 N THR A 54 -1.516 -2.641 8.642 1.00 0.00 N ATOM 869 CA THR A 54 -0.482 -1.573 8.496 1.00 0.00 C ATOM 870 C THR A 54 0.653 -1.794 9.500 1.00 0.00 C ATOM 871 O THR A 54 1.785 -1.420 9.263 1.00 0.00 O ATOM 872 CB THR A 54 -1.215 -0.263 8.793 1.00 0.00 C ATOM 873 OG1 THR A 54 -2.525 -0.549 9.262 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.302 0.579 7.518 1.00 0.00 C ATOM 0 H THR A 54 -2.381 -2.351 9.099 1.00 0.00 H new ATOM 0 HA THR A 54 -0.031 -1.570 7.503 1.00 0.00 H new ATOM 0 HB THR A 54 -0.668 0.292 9.555 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.090 -0.822 8.509 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.824 1.511 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.297 0.801 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.847 0.026 6.753 1.00 0.00 H new ATOM 882 N LYS A 55 0.360 -2.395 10.620 1.00 0.00 N ATOM 883 CA LYS A 55 1.422 -2.636 11.641 1.00 0.00 C ATOM 884 C LYS A 55 2.369 -3.750 11.179 1.00 0.00 C ATOM 885 O LYS A 55 3.575 -3.633 11.278 1.00 0.00 O ATOM 886 CB LYS A 55 0.669 -3.064 12.901 1.00 0.00 C ATOM 887 CG LYS A 55 0.219 -1.822 13.673 1.00 0.00 C ATOM 888 CD LYS A 55 1.437 -1.136 14.293 1.00 0.00 C ATOM 889 CE LYS A 55 1.116 -0.730 15.733 1.00 0.00 C ATOM 890 NZ LYS A 55 2.310 -1.138 16.523 1.00 0.00 N ATOM 0 H LYS A 55 -0.569 -2.730 10.874 1.00 0.00 H new ATOM 0 HA LYS A 55 2.036 -1.751 11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.195 -3.671 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.311 -3.683 13.528 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.298 -1.133 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.489 -2.102 14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.294 -1.809 14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.710 -0.257 13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.939 0.343 15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.216 -1.228 16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.165 -0.892 17.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.450 -2.165 16.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.150 -0.643 16.163 1.00 0.00 H new ATOM 904 N TYR A 56 1.833 -4.831 10.682 1.00 0.00 N ATOM 905 CA TYR A 56 2.703 -5.954 10.222 1.00 0.00 C ATOM 906 C TYR A 56 3.658 -5.475 9.125 1.00 0.00 C ATOM 907 O TYR A 56 4.855 -5.680 9.196 1.00 0.00 O ATOM 908 CB TYR A 56 1.734 -7.001 9.671 1.00 0.00 C ATOM 909 CG TYR A 56 2.514 -8.125 9.033 1.00 0.00 C ATOM 910 CD1 TYR A 56 3.680 -8.603 9.645 1.00 0.00 C ATOM 911 CD2 TYR A 56 2.072 -8.691 7.832 1.00 0.00 C ATOM 912 CE1 TYR A 56 4.402 -9.647 9.054 1.00 0.00 C ATOM 913 CE2 TYR A 56 2.796 -9.734 7.240 1.00 0.00 C ATOM 914 CZ TYR A 56 3.960 -10.212 7.851 1.00 0.00 C ATOM 915 OH TYR A 56 4.673 -11.240 7.270 1.00 0.00 O ATOM 0 H TYR A 56 0.831 -4.987 10.574 1.00 0.00 H new ATOM 0 HA TYR A 56 3.323 -6.352 11.026 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.107 -7.389 10.474 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.068 -6.545 8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.022 -8.167 10.572 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.172 -8.324 7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.300 -10.017 9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.455 -10.169 6.312 1.00 0.00 H new ATOM 0 HH TYR A 56 4.230 -11.518 6.441 1.00 0.00 H new ATOM 925 N PHE A 57 3.142 -4.837 8.112 1.00 0.00 N ATOM 926 CA PHE A 57 4.026 -4.348 7.015 1.00 0.00 C ATOM 927 C PHE A 57 5.098 -3.418 7.586 1.00 0.00 C ATOM 928 O PHE A 57 6.258 -3.506 7.241 1.00 0.00 O ATOM 929 CB PHE A 57 3.098 -3.581 6.072 1.00 0.00 C ATOM 930 CG PHE A 57 2.988 -4.319 4.760 1.00 0.00 C ATOM 931 CD1 PHE A 57 4.133 -4.858 4.161 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.740 -4.463 4.140 1.00 0.00 C ATOM 933 CE1 PHE A 57 4.031 -5.543 2.944 1.00 0.00 C ATOM 934 CE2 PHE A 57 1.638 -5.147 2.923 1.00 0.00 C ATOM 935 CZ PHE A 57 2.783 -5.687 2.325 1.00 0.00 C ATOM 0 H PHE A 57 2.149 -4.633 7.995 1.00 0.00 H new ATOM 0 HA PHE A 57 4.544 -5.160 6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.112 -3.473 6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.484 -2.575 5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.095 -4.745 4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.857 -4.046 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.914 -5.960 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.676 -5.258 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.704 -6.215 1.386 1.00 0.00 H new ATOM 945 N GLY A 58 4.715 -2.531 8.462 1.00 0.00 N ATOM 946 CA GLY A 58 5.707 -1.595 9.060 1.00 0.00 C ATOM 947 C GLY A 58 6.787 -2.390 9.796 1.00 0.00 C ATOM 948 O GLY A 58 7.942 -2.013 9.817 1.00 0.00 O ATOM 0 H GLY A 58 3.756 -2.414 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.160 -0.983 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.209 -0.914 9.750 1.00 0.00 H new ATOM 952 N CYS A 59 6.422 -3.484 10.403 1.00 0.00 N ATOM 953 CA CYS A 59 7.434 -4.296 11.140 1.00 0.00 C ATOM 954 C CYS A 59 8.574 -4.694 10.201 1.00 0.00 C ATOM 955 O CYS A 59 9.725 -4.733 10.588 1.00 0.00 O ATOM 956 CB CYS A 59 6.675 -5.534 11.618 1.00 0.00 C ATOM 957 SG CYS A 59 6.584 -5.524 13.425 1.00 0.00 S ATOM 0 H CYS A 59 5.471 -3.852 10.422 1.00 0.00 H new ATOM 0 HA CYS A 59 7.882 -3.748 11.969 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.672 -5.545 11.193 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.178 -6.438 11.273 1.00 0.00 H new ATOM 0 HG CYS A 59 5.937 -6.575 13.833 1.00 0.00 H new ATOM 963 N GLU A 60 8.265 -4.992 8.970 1.00 0.00 N ATOM 964 CA GLU A 60 9.335 -5.389 8.007 1.00 0.00 C ATOM 965 C GLU A 60 10.240 -4.195 7.685 1.00 0.00 C ATOM 966 O GLU A 60 11.451 -4.290 7.735 1.00 0.00 O ATOM 967 CB GLU A 60 8.588 -5.849 6.755 1.00 0.00 C ATOM 968 CG GLU A 60 8.633 -7.376 6.666 1.00 0.00 C ATOM 969 CD GLU A 60 8.095 -7.979 7.965 1.00 0.00 C ATOM 970 OE1 GLU A 60 8.872 -8.123 8.895 1.00 0.00 O ATOM 971 OE2 GLU A 60 6.914 -8.284 8.009 1.00 0.00 O ATOM 0 H GLU A 60 7.320 -4.978 8.587 1.00 0.00 H new ATOM 0 HA GLU A 60 9.980 -6.170 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.554 -5.506 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.040 -5.409 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.038 -7.719 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.656 -7.711 6.493 1.00 0.00 H new ATOM 978 N LEU A 61 9.665 -3.072 7.344 1.00 0.00 N ATOM 979 CA LEU A 61 10.499 -1.877 7.007 1.00 0.00 C ATOM 980 C LEU A 61 11.033 -1.199 8.277 1.00 0.00 C ATOM 981 O LEU A 61 11.602 -0.127 8.223 1.00 0.00 O ATOM 982 CB LEU A 61 9.571 -0.926 6.241 1.00 0.00 C ATOM 983 CG LEU A 61 8.183 -0.908 6.888 1.00 0.00 C ATOM 984 CD1 LEU A 61 7.775 0.536 7.185 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.167 -1.534 5.928 1.00 0.00 C ATOM 0 H LEU A 61 8.657 -2.929 7.284 1.00 0.00 H new ATOM 0 HA LEU A 61 11.370 -2.158 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.992 0.080 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.492 -1.243 5.201 1.00 0.00 H new ATOM 0 HG LEU A 61 8.209 -1.477 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.787 0.548 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.498 0.986 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.749 1.105 6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.178 -1.522 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.143 -0.963 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.455 -2.563 5.713 1.00 0.00 H new ATOM 997 N GLY A 62 10.866 -1.815 9.416 1.00 0.00 N ATOM 998 CA GLY A 62 11.376 -1.203 10.679 1.00 0.00 C ATOM 999 C GLY A 62 10.560 0.045 11.025 1.00 0.00 C ATOM 1000 O GLY A 62 10.851 0.743 11.976 1.00 0.00 O ATOM 0 H GLY A 62 10.399 -2.715 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.314 -1.925 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.428 -0.940 10.566 1.00 0.00 H new ATOM 1004 N ALA A 63 9.538 0.326 10.268 1.00 0.00 N ATOM 1005 CA ALA A 63 8.693 1.521 10.556 1.00 0.00 C ATOM 1006 C ALA A 63 7.288 1.060 10.939 1.00 0.00 C ATOM 1007 O ALA A 63 6.922 -0.071 10.704 1.00 0.00 O ATOM 1008 CB ALA A 63 8.667 2.318 9.254 1.00 0.00 C ATOM 0 H ALA A 63 9.249 -0.222 9.458 1.00 0.00 H new ATOM 0 HA ALA A 63 9.077 2.123 11.380 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.062 3.215 9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.683 2.603 8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.237 1.706 8.461 1.00 0.00 H new ATOM 1014 N GLN A 64 6.491 1.906 11.533 1.00 0.00 N ATOM 1015 CA GLN A 64 5.134 1.465 11.913 1.00 0.00 C ATOM 1016 C GLN A 64 4.096 2.158 11.035 1.00 0.00 C ATOM 1017 O GLN A 64 4.099 2.026 9.827 1.00 0.00 O ATOM 1018 CB GLN A 64 4.983 1.878 13.378 1.00 0.00 C ATOM 1019 CG GLN A 64 5.318 3.363 13.529 1.00 0.00 C ATOM 1020 CD GLN A 64 6.667 3.512 14.234 1.00 0.00 C ATOM 1021 OE1 GLN A 64 7.509 2.640 14.151 1.00 0.00 O ATOM 1022 NE2 GLN A 64 6.912 4.589 14.930 1.00 0.00 N ATOM 0 H GLN A 64 6.724 2.871 11.766 1.00 0.00 H new ATOM 0 HA GLN A 64 4.987 0.393 11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.965 1.688 13.717 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.644 1.280 14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.353 3.840 12.550 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.539 3.866 14.101 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.206 5.322 15.001 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.809 4.697 15.403 1.00 0.00 H new ATOM 1031 N THR A 65 3.204 2.884 11.634 1.00 0.00 N ATOM 1032 CA THR A 65 2.154 3.579 10.837 1.00 0.00 C ATOM 1033 C THR A 65 1.723 4.880 11.516 1.00 0.00 C ATOM 1034 O THR A 65 2.064 5.146 12.652 1.00 0.00 O ATOM 1035 CB THR A 65 0.983 2.600 10.764 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.155 2.767 11.907 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.506 1.162 10.714 1.00 0.00 C ATOM 0 H THR A 65 3.152 3.030 12.642 1.00 0.00 H new ATOM 0 HA THR A 65 2.519 3.852 9.847 1.00 0.00 H new ATOM 0 HB THR A 65 0.405 2.799 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.776 2.883 11.623 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.665 0.471 10.662 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.136 1.034 9.833 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.090 0.956 11.611 1.00 0.00 H new ATOM 1045 N GLN A 66 0.951 5.677 10.832 1.00 0.00 N ATOM 1046 CA GLN A 66 0.461 6.952 11.433 1.00 0.00 C ATOM 1047 C GLN A 66 -0.965 7.203 10.944 1.00 0.00 C ATOM 1048 O GLN A 66 -1.284 6.952 9.799 1.00 0.00 O ATOM 1049 CB GLN A 66 1.411 8.033 10.917 1.00 0.00 C ATOM 1050 CG GLN A 66 2.044 8.765 12.101 1.00 0.00 C ATOM 1051 CD GLN A 66 1.149 9.934 12.517 1.00 0.00 C ATOM 1052 OE1 GLN A 66 0.635 10.649 11.679 1.00 0.00 O ATOM 1053 NE2 GLN A 66 0.937 10.161 13.784 1.00 0.00 N ATOM 0 H GLN A 66 0.636 5.501 9.878 1.00 0.00 H new ATOM 0 HA GLN A 66 0.444 6.935 12.523 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.187 7.584 10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.868 8.739 10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.176 8.079 12.938 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.034 9.130 11.829 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.368 9.562 14.488 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.341 10.937 14.070 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.836 7.665 11.795 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.238 7.883 11.342 1.00 0.00 C ATOM 1064 C PHE A 67 -3.736 9.293 11.623 1.00 0.00 C ATOM 1065 O PHE A 67 -3.457 9.872 12.655 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.043 6.838 12.101 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.870 5.554 11.354 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.190 5.524 10.002 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.352 4.419 11.985 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -3.994 4.366 9.264 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.162 3.245 11.247 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.479 3.220 9.883 1.00 0.00 C ATOM 0 H PHE A 67 -1.644 7.898 12.769 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.331 7.780 10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.687 6.742 13.127 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.095 7.119 12.153 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.593 6.405 9.524 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.100 4.448 13.035 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.238 4.348 8.212 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.772 2.360 11.728 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.326 2.318 9.309 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.500 9.840 10.717 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.047 11.201 10.943 1.00 0.00 C ATOM 1084 C ASP A 68 -6.574 11.140 10.897 1.00 0.00 C ATOM 1085 O ASP A 68 -7.161 10.801 9.889 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.498 12.046 9.794 1.00 0.00 C ATOM 1087 CG ASP A 68 -2.973 11.922 9.753 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.381 11.787 10.811 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.425 11.965 8.664 1.00 0.00 O ATOM 0 H ASP A 68 -4.766 9.403 9.835 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.767 11.619 11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.926 11.715 8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.785 13.089 9.926 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.222 11.464 11.981 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.710 11.419 11.995 1.00 0.00 C ATOM 1096 C VAL A 69 -9.265 12.740 11.471 1.00 0.00 C ATOM 1097 O VAL A 69 -9.902 12.789 10.437 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.085 11.206 13.459 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -10.542 10.749 13.550 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.176 10.130 14.057 1.00 0.00 C ATOM 0 H VAL A 69 -6.787 11.757 12.856 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.117 10.630 11.363 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.963 12.139 14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.811 10.597 14.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.190 11.510 13.116 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.665 9.814 13.004 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.438 9.972 15.103 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.304 9.198 13.506 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.137 10.452 13.988 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.009 13.818 12.157 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.504 15.131 11.666 1.00 0.00 C ATOM 1112 C LYS A 70 -8.972 15.354 10.250 1.00 0.00 C ATOM 1113 O LYS A 70 -9.461 16.183 9.509 1.00 0.00 O ATOM 1114 CB LYS A 70 -8.928 16.166 12.633 1.00 0.00 C ATOM 1115 CG LYS A 70 -7.407 16.019 12.691 1.00 0.00 C ATOM 1116 CD LYS A 70 -6.934 16.181 14.137 1.00 0.00 C ATOM 1117 CE LYS A 70 -7.281 17.585 14.635 1.00 0.00 C ATOM 1118 NZ LYS A 70 -8.601 17.438 15.310 1.00 0.00 N ATOM 0 H LYS A 70 -8.482 13.846 13.030 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.592 15.193 11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.195 17.171 12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.355 16.029 13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.110 15.043 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.934 16.768 12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.407 15.432 14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.858 16.018 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.524 17.958 15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.336 18.294 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.586 17.947 16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.347 17.833 14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.793 16.430 15.482 1.00 0.00 H new ATOM 1132 N ASN A 71 -7.970 14.602 9.873 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.393 14.746 8.508 1.00 0.00 C ATOM 1134 C ASN A 71 -7.858 13.591 7.617 1.00 0.00 C ATOM 1135 O ASN A 71 -7.989 13.744 6.419 1.00 0.00 O ATOM 1136 CB ASN A 71 -5.879 14.695 8.709 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.226 15.870 7.979 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -4.723 16.784 8.601 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -5.213 15.884 6.674 1.00 0.00 N ATOM 0 H ASN A 71 -7.527 13.892 10.456 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.706 15.670 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.641 14.736 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.483 13.753 8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.780 16.662 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.635 15.117 6.152 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.112 12.435 8.186 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.573 11.280 7.356 1.00 0.00 C ATOM 1148 C ASP A 72 -7.434 10.788 6.469 1.00 0.00 C ATOM 1149 O ASP A 72 -7.639 10.060 5.518 1.00 0.00 O ATOM 1150 CB ASP A 72 -9.681 11.846 6.485 1.00 0.00 C ATOM 1151 CG ASP A 72 -10.593 12.743 7.324 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.209 12.234 8.246 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -10.661 13.925 7.030 1.00 0.00 O ATOM 0 H ASP A 72 -8.020 12.244 9.184 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.905 10.441 7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.253 12.417 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.260 11.034 6.044 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.242 11.189 6.773 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.078 10.761 5.950 1.00 0.00 C ATOM 1160 C ARG A 73 -4.165 9.867 6.782 1.00 0.00 C ATOM 1161 O ARG A 73 -3.800 10.196 7.893 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.362 12.057 5.567 1.00 0.00 C ATOM 1163 CG ARG A 73 -3.126 11.727 4.726 1.00 0.00 C ATOM 1164 CD ARG A 73 -3.177 12.514 3.414 1.00 0.00 C ATOM 1165 NE ARG A 73 -4.357 11.970 2.687 1.00 0.00 N ATOM 1166 CZ ARG A 73 -4.971 12.704 1.799 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -4.452 12.863 0.612 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -6.104 13.278 2.098 1.00 0.00 N ATOM 0 H ARG A 73 -6.016 11.798 7.559 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.374 10.191 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.035 12.705 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.070 12.603 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.220 11.977 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.088 10.657 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.285 13.583 3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.262 12.381 2.837 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.685 11.024 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.567 12.414 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.932 13.436 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.510 13.153 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.584 13.852 1.404 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.804 8.732 6.259 1.00 0.00 N ATOM 1183 CA TYR A 74 -2.929 7.810 7.029 1.00 0.00 C ATOM 1184 C TYR A 74 -1.558 7.693 6.361 1.00 0.00 C ATOM 1185 O TYR A 74 -1.447 7.541 5.161 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.664 6.471 7.008 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.138 6.696 7.273 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.558 7.799 8.031 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.086 5.808 6.751 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -6.922 8.010 8.268 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.450 6.018 6.990 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.868 7.119 7.748 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.213 7.327 7.980 1.00 0.00 O ATOM 0 H TYR A 74 -4.076 8.403 5.333 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.747 8.159 8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.528 5.985 6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.246 5.804 7.762 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.828 8.487 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.765 4.960 6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.244 8.860 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.180 5.330 6.589 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.733 6.618 7.548 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.512 7.769 7.136 1.00 0.00 N ATOM 1204 CA ILE A 75 0.860 7.670 6.565 1.00 0.00 C ATOM 1205 C ILE A 75 1.672 6.629 7.342 1.00 0.00 C ATOM 1206 O ILE A 75 1.470 6.432 8.522 1.00 0.00 O ATOM 1207 CB ILE A 75 1.457 9.069 6.736 1.00 0.00 C ATOM 1208 CG1 ILE A 75 2.794 9.153 5.993 1.00 0.00 C ATOM 1209 CG2 ILE A 75 1.682 9.355 8.222 1.00 0.00 C ATOM 1210 CD1 ILE A 75 3.846 8.317 6.725 1.00 0.00 C ATOM 0 H ILE A 75 -0.549 7.896 8.147 1.00 0.00 H new ATOM 0 HA ILE A 75 0.861 7.357 5.521 1.00 0.00 H new ATOM 0 HB ILE A 75 0.767 9.806 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.676 8.793 4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.121 10.191 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.107 10.352 8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.731 9.301 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.369 8.616 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.795 8.380 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.972 8.697 7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.521 7.277 6.766 1.00 0.00 H new ATOM 1222 N VAL A 76 2.586 5.960 6.693 1.00 0.00 N ATOM 1223 CA VAL A 76 3.399 4.935 7.406 1.00 0.00 C ATOM 1224 C VAL A 76 4.859 5.385 7.474 1.00 0.00 C ATOM 1225 O VAL A 76 5.403 5.909 6.522 1.00 0.00 O ATOM 1226 CB VAL A 76 3.265 3.664 6.567 1.00 0.00 C ATOM 1227 CG1 VAL A 76 4.349 2.665 6.975 1.00 0.00 C ATOM 1228 CG2 VAL A 76 1.886 3.042 6.803 1.00 0.00 C ATOM 0 H VAL A 76 2.804 6.078 5.704 1.00 0.00 H new ATOM 0 HA VAL A 76 3.064 4.778 8.431 1.00 0.00 H new ATOM 0 HB VAL A 76 3.379 3.912 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.253 1.759 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.332 3.107 6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.236 2.416 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.789 2.136 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.774 2.795 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.112 3.753 6.513 1.00 0.00 H new ATOM 1238 N ASN A 77 5.492 5.197 8.597 1.00 0.00 N ATOM 1239 CA ASN A 77 6.914 5.631 8.730 1.00 0.00 C ATOM 1240 C ASN A 77 7.801 4.919 7.704 1.00 0.00 C ATOM 1241 O ASN A 77 7.636 3.749 7.429 1.00 0.00 O ATOM 1242 CB ASN A 77 7.315 5.234 10.151 1.00 0.00 C ATOM 1243 CG ASN A 77 7.056 6.405 11.101 1.00 0.00 C ATOM 1244 OD1 ASN A 77 7.185 7.551 10.720 1.00 0.00 O ATOM 1245 ND2 ASN A 77 6.693 6.163 12.331 1.00 0.00 N ATOM 0 H ASN A 77 5.090 4.763 9.428 1.00 0.00 H new ATOM 0 HA ASN A 77 7.031 6.700 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.746 4.361 10.470 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.369 4.956 10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.518 6.936 12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.585 5.201 12.651 1.00 0.00 H new ATOM 1252 N GLY A 78 8.749 5.620 7.143 1.00 0.00 N ATOM 1253 CA GLY A 78 9.656 4.987 6.144 1.00 0.00 C ATOM 1254 C GLY A 78 9.119 5.215 4.732 1.00 0.00 C ATOM 1255 O GLY A 78 7.946 5.457 4.534 1.00 0.00 O ATOM 0 H GLY A 78 8.934 6.605 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.658 5.407 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.739 3.918 6.342 1.00 0.00 H new ATOM 1259 N SER A 79 9.971 5.134 3.744 1.00 0.00 N ATOM 1260 CA SER A 79 9.506 5.339 2.344 1.00 0.00 C ATOM 1261 C SER A 79 9.353 3.990 1.640 1.00 0.00 C ATOM 1262 O SER A 79 10.287 3.220 1.540 1.00 0.00 O ATOM 1263 CB SER A 79 10.594 6.165 1.668 1.00 0.00 C ATOM 1264 OG SER A 79 11.807 5.423 1.648 1.00 0.00 O ATOM 0 H SER A 79 10.966 4.935 3.847 1.00 0.00 H new ATOM 0 HA SER A 79 8.538 5.838 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.294 6.420 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.738 7.104 2.203 1.00 0.00 H new ATOM 0 HG SER A 79 11.605 4.465 1.688 1.00 0.00 H new ATOM 1270 N HIS A 80 8.180 3.701 1.155 1.00 0.00 N ATOM 1271 CA HIS A 80 7.962 2.400 0.456 1.00 0.00 C ATOM 1272 C HIS A 80 7.027 2.594 -0.741 1.00 0.00 C ATOM 1273 O HIS A 80 5.868 2.921 -0.585 1.00 0.00 O ATOM 1274 CB HIS A 80 7.313 1.478 1.496 1.00 0.00 C ATOM 1275 CG HIS A 80 7.589 1.992 2.885 1.00 0.00 C ATOM 1276 ND1 HIS A 80 6.648 2.712 3.604 1.00 0.00 N ATOM 1277 CD2 HIS A 80 8.692 1.901 3.696 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.197 3.024 4.791 1.00 0.00 C ATOM 1279 NE2 HIS A 80 8.443 2.554 4.900 1.00 0.00 N ATOM 0 H HIS A 80 7.361 4.307 1.211 1.00 0.00 H new ATOM 0 HA HIS A 80 8.894 1.983 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.238 1.425 1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.703 0.466 1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.613 1.399 3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.692 3.586 5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.075 2.652 5.694 1.00 0.00 H new ATOM 1287 N GLU A 81 7.516 2.388 -1.932 1.00 0.00 N ATOM 1288 CA GLU A 81 6.643 2.553 -3.129 1.00 0.00 C ATOM 1289 C GLU A 81 5.851 1.266 -3.375 1.00 0.00 C ATOM 1290 O GLU A 81 6.282 0.185 -3.029 1.00 0.00 O ATOM 1291 CB GLU A 81 7.601 2.829 -4.289 1.00 0.00 C ATOM 1292 CG GLU A 81 8.529 1.630 -4.476 1.00 0.00 C ATOM 1293 CD GLU A 81 9.978 2.065 -4.252 1.00 0.00 C ATOM 1294 OE1 GLU A 81 10.274 2.540 -3.168 1.00 0.00 O ATOM 1295 OE2 GLU A 81 10.769 1.917 -5.170 1.00 0.00 O ATOM 0 H GLU A 81 8.478 2.114 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 81 5.918 3.358 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.038 3.014 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.185 3.727 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.263 0.839 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.412 1.220 -5.479 1.00 0.00 H new ATOM 1302 N ALA A 82 4.692 1.374 -3.964 1.00 0.00 N ATOM 1303 CA ALA A 82 3.870 0.157 -4.223 1.00 0.00 C ATOM 1304 C ALA A 82 4.694 -0.903 -4.961 1.00 0.00 C ATOM 1305 O ALA A 82 4.582 -2.083 -4.694 1.00 0.00 O ATOM 1306 CB ALA A 82 2.717 0.642 -5.101 1.00 0.00 C ATOM 0 H ALA A 82 4.278 2.252 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 82 3.520 -0.305 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.062 -0.197 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.150 1.406 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.115 1.064 -6.024 1.00 0.00 H new ATOM 1312 N ASN A 83 5.513 -0.495 -5.891 1.00 0.00 N ATOM 1313 CA ASN A 83 6.334 -1.485 -6.649 1.00 0.00 C ATOM 1314 C ASN A 83 7.323 -2.192 -5.720 1.00 0.00 C ATOM 1315 O ASN A 83 7.635 -3.353 -5.898 1.00 0.00 O ATOM 1316 CB ASN A 83 7.081 -0.657 -7.696 1.00 0.00 C ATOM 1317 CG ASN A 83 7.115 -1.421 -9.022 1.00 0.00 C ATOM 1318 OD1 ASN A 83 7.949 -2.281 -9.220 1.00 0.00 O ATOM 1319 ND2 ASN A 83 6.236 -1.140 -9.945 1.00 0.00 N ATOM 0 H ASN A 83 5.650 0.479 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 83 5.720 -2.264 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.589 0.306 -7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.096 -0.452 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.250 -1.643 -10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.535 -0.418 -9.779 1.00 0.00 H new ATOM 1326 N LYS A 84 7.824 -1.502 -4.736 1.00 0.00 N ATOM 1327 CA LYS A 84 8.799 -2.133 -3.800 1.00 0.00 C ATOM 1328 C LYS A 84 8.091 -3.122 -2.869 1.00 0.00 C ATOM 1329 O LYS A 84 8.528 -4.240 -2.688 1.00 0.00 O ATOM 1330 CB LYS A 84 9.391 -0.974 -2.999 1.00 0.00 C ATOM 1331 CG LYS A 84 10.510 -1.496 -2.095 1.00 0.00 C ATOM 1332 CD LYS A 84 11.860 -1.292 -2.782 1.00 0.00 C ATOM 1333 CE LYS A 84 12.708 -0.315 -1.964 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.559 -1.177 -1.097 1.00 0.00 N ATOM 0 H LYS A 84 7.601 -0.527 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 84 9.566 -2.697 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.781 -0.213 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.615 -0.500 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.494 -0.972 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.355 -2.554 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.378 -2.246 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.712 -0.905 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.316 0.317 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.081 0.348 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.170 -0.579 -0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.953 -1.763 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.149 -1.793 -1.692 1.00 0.00 H new ATOM 1348 N LEU A 85 7.003 -2.717 -2.272 1.00 0.00 N ATOM 1349 CA LEU A 85 6.276 -3.638 -1.350 1.00 0.00 C ATOM 1350 C LEU A 85 5.707 -4.821 -2.126 1.00 0.00 C ATOM 1351 O LEU A 85 5.830 -5.959 -1.718 1.00 0.00 O ATOM 1352 CB LEU A 85 5.155 -2.795 -0.758 1.00 0.00 C ATOM 1353 CG LEU A 85 5.742 -1.497 -0.218 1.00 0.00 C ATOM 1354 CD1 LEU A 85 4.930 -0.316 -0.748 1.00 0.00 C ATOM 1355 CD2 LEU A 85 5.693 -1.520 1.310 1.00 0.00 C ATOM 0 H LEU A 85 6.587 -1.792 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 85 6.926 -4.051 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.404 -2.581 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.654 -3.342 0.040 1.00 0.00 H new ATOM 0 HG LEU A 85 6.777 -1.394 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.348 0.614 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.968 -0.308 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.894 -0.411 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.112 -0.593 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.659 -1.618 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.273 -2.365 1.680 1.00 0.00 H new ATOM 1367 N GLN A 86 5.102 -4.572 -3.254 1.00 0.00 N ATOM 1368 CA GLN A 86 4.555 -5.702 -4.048 1.00 0.00 C ATOM 1369 C GLN A 86 5.704 -6.645 -4.386 1.00 0.00 C ATOM 1370 O GLN A 86 5.559 -7.851 -4.388 1.00 0.00 O ATOM 1371 CB GLN A 86 3.980 -5.069 -5.316 1.00 0.00 C ATOM 1372 CG GLN A 86 2.459 -5.230 -5.322 1.00 0.00 C ATOM 1373 CD GLN A 86 1.833 -4.134 -6.189 1.00 0.00 C ATOM 1374 OE1 GLN A 86 1.012 -3.370 -5.721 1.00 0.00 O ATOM 1375 NE2 GLN A 86 2.187 -4.026 -7.439 1.00 0.00 N ATOM 0 H GLN A 86 4.965 -3.644 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 86 3.791 -6.272 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.245 -4.013 -5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.410 -5.542 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.188 -6.213 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.072 -5.169 -4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.876 -4.668 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.775 -3.300 -8.025 1.00 0.00 H new ATOM 1384 N ASP A 87 6.856 -6.091 -4.651 1.00 0.00 N ATOM 1385 CA ASP A 87 8.039 -6.938 -4.966 1.00 0.00 C ATOM 1386 C ASP A 87 8.491 -7.679 -3.705 1.00 0.00 C ATOM 1387 O ASP A 87 8.920 -8.815 -3.757 1.00 0.00 O ATOM 1388 CB ASP A 87 9.118 -5.960 -5.433 1.00 0.00 C ATOM 1389 CG ASP A 87 9.246 -6.029 -6.956 1.00 0.00 C ATOM 1390 OD1 ASP A 87 8.266 -6.370 -7.598 1.00 0.00 O ATOM 1391 OD2 ASP A 87 10.321 -5.742 -7.454 1.00 0.00 O ATOM 0 H ASP A 87 7.028 -5.086 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 87 7.825 -7.691 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.863 -4.946 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.072 -6.205 -4.966 1.00 0.00 H new