USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 572 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 65 ASN : amide:sc= 0.68 K(o=1.4,f=-2.5!) USER MOD Set 1.2: A 81 GLN : amide:sc= 0.732 K(o=1.4,f=-2.5) USER MOD Set 2.1: A 67 ASN : amide:sc= 0.35 K(o=0.7,f=-0.0067) USER MOD Set 2.2: A 79 GLN : amide:sc= 0.345 K(o=0.7,f=-0.086) USER MOD Set 3.1: A 27 HIS : no HD1:sc= 0 X(o=1.2,f=1) USER MOD Set 3.2: A 43 GLN : amide:sc= 1.18 K(o=1.2,f=-6.3!) USER MOD Single : A 40 THR OG1 : rot 71:sc= 2.06 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.899) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0.429 (180deg=0.424) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 140:sc= 0.111 USER MOD Single : A 84 GLN : amide:sc= 1.04 K(o=1,f=-1.7) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc=-0.000994 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 83:sc= 0.567 USER MOD Single : A 95 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.24) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000941) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0.418 K(o=0.42,f=-2.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 363 N ILE A 26 9.183 -2.511 -0.690 1.00 0.00 N ATOM 364 CA ILE A 26 7.877 -2.188 -0.103 1.00 0.00 C ATOM 365 C ILE A 26 7.323 -3.486 0.483 1.00 0.00 C ATOM 366 O ILE A 26 7.068 -4.433 -0.257 1.00 0.00 O ATOM 367 CB ILE A 26 6.912 -1.595 -1.154 1.00 0.00 C ATOM 368 CG1 ILE A 26 7.570 -0.388 -1.859 1.00 0.00 C ATOM 369 CG2 ILE A 26 5.579 -1.221 -0.469 1.00 0.00 C ATOM 370 CD1 ILE A 26 6.629 0.442 -2.735 1.00 0.00 C ATOM 0 HA ILE A 26 7.985 -1.427 0.670 1.00 0.00 H new ATOM 0 HB ILE A 26 6.695 -2.334 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.005 0.263 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.391 -0.751 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.895 -0.802 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.134 -2.113 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.766 -0.484 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.183 1.265 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.212 -0.189 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.820 0.841 -2.123 1.00 0.00 H new ATOM 382 N HIS A 27 7.139 -3.546 1.794 1.00 0.00 N ATOM 383 CA HIS A 27 6.605 -4.714 2.490 1.00 0.00 C ATOM 384 C HIS A 27 5.116 -4.497 2.801 1.00 0.00 C ATOM 385 O HIS A 27 4.765 -3.639 3.613 1.00 0.00 O ATOM 386 CB HIS A 27 7.423 -4.958 3.766 1.00 0.00 C ATOM 387 CG HIS A 27 8.888 -5.208 3.532 1.00 0.00 C ATOM 388 ND1 HIS A 27 9.446 -6.419 3.120 1.00 0.00 N ATOM 389 CD2 HIS A 27 9.891 -4.311 3.756 1.00 0.00 C ATOM 390 CE1 HIS A 27 10.773 -6.217 3.096 1.00 0.00 C ATOM 391 NE2 HIS A 27 11.071 -4.961 3.476 1.00 0.00 N ATOM 0 H HIS A 27 7.360 -2.770 2.418 1.00 0.00 H new ATOM 0 HA HIS A 27 6.685 -5.599 1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.315 -4.094 4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.002 -5.813 4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.780 -3.289 4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.502 -6.961 2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.007 -4.561 3.544 1.00 0.00 H new ATOM 399 N ILE A 28 4.231 -5.265 2.160 1.00 0.00 N ATOM 400 CA ILE A 28 2.779 -5.210 2.396 1.00 0.00 C ATOM 401 C ILE A 28 2.403 -6.409 3.273 1.00 0.00 C ATOM 402 O ILE A 28 2.362 -7.552 2.814 1.00 0.00 O ATOM 403 CB ILE A 28 1.983 -5.135 1.070 1.00 0.00 C ATOM 404 CG1 ILE A 28 2.526 -4.014 0.147 1.00 0.00 C ATOM 405 CG2 ILE A 28 0.498 -4.879 1.404 1.00 0.00 C ATOM 406 CD1 ILE A 28 1.898 -4.005 -1.250 1.00 0.00 C ATOM 0 H ILE A 28 4.501 -5.951 1.455 1.00 0.00 H new ATOM 0 HA ILE A 28 2.510 -4.295 2.923 1.00 0.00 H new ATOM 0 HB ILE A 28 2.093 -6.078 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.349 -3.048 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.606 -4.128 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.078 -4.823 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.118 -5.694 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.404 -3.939 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.328 -3.193 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.097 -4.956 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.821 -3.859 -1.164 1.00 0.00 H new ATOM 418 N ARG A 29 2.211 -6.126 4.560 1.00 0.00 N ATOM 419 CA ARG A 29 2.020 -7.080 5.656 1.00 0.00 C ATOM 420 C ARG A 29 0.558 -7.073 6.135 1.00 0.00 C ATOM 421 O ARG A 29 -0.250 -6.259 5.690 1.00 0.00 O ATOM 422 CB ARG A 29 2.968 -6.699 6.818 1.00 0.00 C ATOM 423 CG ARG A 29 4.445 -6.536 6.416 1.00 0.00 C ATOM 424 CD ARG A 29 5.331 -6.262 7.639 1.00 0.00 C ATOM 425 NE ARG A 29 6.741 -6.083 7.251 1.00 0.00 N ATOM 426 CZ ARG A 29 7.638 -7.019 6.975 1.00 0.00 C ATOM 427 NH1 ARG A 29 7.368 -8.307 7.033 1.00 0.00 N ATOM 428 NH2 ARG A 29 8.845 -6.640 6.628 1.00 0.00 N ATOM 0 H ARG A 29 2.182 -5.161 4.889 1.00 0.00 H new ATOM 0 HA ARG A 29 2.251 -8.086 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.621 -5.765 7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.898 -7.464 7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.788 -7.439 5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.542 -5.716 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.977 -5.369 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.248 -7.090 8.343 1.00 0.00 H new ATOM 0 HE ARG A 29 7.068 -5.119 7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.435 -8.621 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.092 -8.990 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.073 -5.647 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.556 -7.338 6.410 1.00 0.00 H new ATOM 442 N ILE A 30 0.203 -7.972 7.054 1.00 0.00 N ATOM 443 CA ILE A 30 -1.076 -7.937 7.794 1.00 0.00 C ATOM 444 C ILE A 30 -0.753 -7.880 9.294 1.00 0.00 C ATOM 445 O ILE A 30 0.177 -8.540 9.764 1.00 0.00 O ATOM 446 CB ILE A 30 -2.013 -9.109 7.405 1.00 0.00 C ATOM 447 CG1 ILE A 30 -2.332 -9.058 5.887 1.00 0.00 C ATOM 448 CG2 ILE A 30 -3.319 -9.057 8.215 1.00 0.00 C ATOM 449 CD1 ILE A 30 -3.292 -10.145 5.385 1.00 0.00 C ATOM 0 H ILE A 30 0.798 -8.758 7.315 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.642 -7.045 7.523 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.501 -10.044 7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.759 -8.083 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.397 -9.137 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.960 -9.889 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.091 -9.129 9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.833 -8.116 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.451 -10.023 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.862 -11.128 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.246 -10.057 5.906 1.00 0.00 H new ATOM 600 N LEU A 39 -6.122 -5.570 9.659 1.00 0.00 N ATOM 601 CA LEU A 39 -5.487 -4.409 9.026 1.00 0.00 C ATOM 602 C LEU A 39 -4.315 -4.857 8.143 1.00 0.00 C ATOM 603 O LEU A 39 -3.480 -5.653 8.578 1.00 0.00 O ATOM 604 CB LEU A 39 -4.979 -3.427 10.103 1.00 0.00 C ATOM 605 CG LEU A 39 -6.053 -2.794 11.010 1.00 0.00 C ATOM 606 CD1 LEU A 39 -5.363 -1.973 12.108 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.009 -1.884 10.226 1.00 0.00 C ATOM 0 HA LEU A 39 -6.228 -3.907 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.263 -3.953 10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.435 -2.624 9.605 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.643 -3.602 11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.117 -1.522 12.753 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.721 -2.625 12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.760 -1.188 11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.748 -1.461 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.443 -1.079 9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.516 -2.466 9.456 1.00 0.00 H new ATOM 619 N THR A 40 -4.217 -4.300 6.934 1.00 0.00 N ATOM 620 CA THR A 40 -3.069 -4.421 6.025 1.00 0.00 C ATOM 621 C THR A 40 -2.099 -3.290 6.328 1.00 0.00 C ATOM 622 O THR A 40 -2.497 -2.128 6.315 1.00 0.00 O ATOM 623 CB THR A 40 -3.549 -4.388 4.574 1.00 0.00 C ATOM 624 OG1 THR A 40 -4.229 -5.597 4.384 1.00 0.00 O ATOM 625 CG2 THR A 40 -2.422 -4.342 3.541 1.00 0.00 C ATOM 0 H THR A 40 -4.965 -3.728 6.543 1.00 0.00 H new ATOM 0 HA THR A 40 -2.556 -5.372 6.172 1.00 0.00 H new ATOM 0 HB THR A 40 -4.145 -3.487 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.073 -5.579 4.882 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.848 -4.321 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.820 -3.447 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.793 -5.226 3.649 1.00 0.00 H new ATOM 633 N THR A 41 -0.843 -3.621 6.622 1.00 0.00 N ATOM 634 CA THR A 41 0.206 -2.687 7.051 1.00 0.00 C ATOM 635 C THR A 41 1.248 -2.529 5.952 1.00 0.00 C ATOM 636 O THR A 41 1.956 -3.476 5.619 1.00 0.00 O ATOM 637 CB THR A 41 0.832 -3.131 8.383 1.00 0.00 C ATOM 638 OG1 THR A 41 0.806 -4.539 8.535 1.00 0.00 O ATOM 639 CG2 THR A 41 0.034 -2.537 9.542 1.00 0.00 C ATOM 0 H THR A 41 -0.511 -4.584 6.567 1.00 0.00 H new ATOM 0 HA THR A 41 -0.243 -1.709 7.227 1.00 0.00 H new ATOM 0 HB THR A 41 1.866 -2.786 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.214 -4.783 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.477 -2.851 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.052 -1.449 9.476 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.997 -2.886 9.491 1.00 0.00 H new ATOM 647 N VAL A 42 1.338 -1.328 5.383 1.00 0.00 N ATOM 648 CA VAL A 42 2.300 -0.987 4.318 1.00 0.00 C ATOM 649 C VAL A 42 3.533 -0.338 4.939 1.00 0.00 C ATOM 650 O VAL A 42 3.426 0.690 5.604 1.00 0.00 O ATOM 651 CB VAL A 42 1.707 -0.038 3.252 1.00 0.00 C ATOM 652 CG1 VAL A 42 2.691 0.160 2.082 1.00 0.00 C ATOM 653 CG2 VAL A 42 0.373 -0.560 2.703 1.00 0.00 C ATOM 0 H VAL A 42 0.738 -0.547 5.648 1.00 0.00 H new ATOM 0 HA VAL A 42 2.562 -1.917 3.813 1.00 0.00 H new ATOM 0 HB VAL A 42 1.531 0.917 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.250 0.832 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.619 0.591 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.900 -0.803 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.010 0.136 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.526 -1.537 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.345 -0.650 3.518 1.00 0.00 H new ATOM 663 N GLN A 43 4.696 -0.934 4.690 1.00 0.00 N ATOM 664 CA GLN A 43 6.011 -0.526 5.187 1.00 0.00 C ATOM 665 C GLN A 43 6.979 -0.345 4.004 1.00 0.00 C ATOM 666 O GLN A 43 6.832 -0.987 2.967 1.00 0.00 O ATOM 667 CB GLN A 43 6.475 -1.629 6.161 1.00 0.00 C ATOM 668 CG GLN A 43 7.912 -1.500 6.696 1.00 0.00 C ATOM 669 CD GLN A 43 8.314 -2.737 7.498 1.00 0.00 C ATOM 670 OE1 GLN A 43 8.511 -3.819 6.961 1.00 0.00 O ATOM 671 NE2 GLN A 43 8.421 -2.655 8.805 1.00 0.00 N ATOM 0 H GLN A 43 4.751 -1.765 4.101 1.00 0.00 H new ATOM 0 HA GLN A 43 5.977 0.431 5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.793 -1.645 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.381 -2.592 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.602 -1.362 5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.991 -0.613 7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.261 -1.764 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.664 -3.482 9.350 1.00 0.00 H new ATOM 680 N GLY A 44 7.982 0.532 4.136 1.00 0.00 N ATOM 681 CA GLY A 44 9.098 0.628 3.180 1.00 0.00 C ATOM 682 C GLY A 44 8.792 1.339 1.856 1.00 0.00 C ATOM 683 O GLY A 44 9.664 1.395 0.991 1.00 0.00 O ATOM 0 H GLY A 44 8.045 1.196 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.923 1.149 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.446 -0.380 2.956 1.00 0.00 H new ATOM 687 N VAL A 45 7.589 1.896 1.690 1.00 0.00 N ATOM 688 CA VAL A 45 7.230 2.753 0.540 1.00 0.00 C ATOM 689 C VAL A 45 8.187 3.964 0.449 1.00 0.00 C ATOM 690 O VAL A 45 8.419 4.611 1.475 1.00 0.00 O ATOM 691 CB VAL A 45 5.738 3.169 0.556 1.00 0.00 C ATOM 692 CG1 VAL A 45 5.330 4.006 1.777 1.00 0.00 C ATOM 693 CG2 VAL A 45 5.346 3.921 -0.727 1.00 0.00 C ATOM 0 H VAL A 45 6.824 1.768 2.353 1.00 0.00 H new ATOM 0 HA VAL A 45 7.356 2.165 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 45 5.193 2.227 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.271 4.255 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.512 3.434 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.917 4.924 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.293 4.197 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.953 4.822 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.514 3.278 -1.591 1.00 0.00 H new ATOM 703 N PRO A 46 8.763 4.267 -0.738 1.00 0.00 N ATOM 704 CA PRO A 46 9.663 5.400 -0.946 1.00 0.00 C ATOM 705 C PRO A 46 9.070 6.732 -0.483 1.00 0.00 C ATOM 706 O PRO A 46 7.892 7.011 -0.706 1.00 0.00 O ATOM 707 CB PRO A 46 9.957 5.418 -2.447 1.00 0.00 C ATOM 708 CG PRO A 46 9.851 3.949 -2.838 1.00 0.00 C ATOM 709 CD PRO A 46 8.708 3.463 -1.953 1.00 0.00 C ATOM 0 HA PRO A 46 10.567 5.280 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.240 6.033 -2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.947 5.821 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.627 3.825 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.776 3.408 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.748 3.583 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.817 2.403 -1.723 1.00 0.00 H new ATOM 717 N GLU A 47 9.901 7.569 0.140 1.00 0.00 N ATOM 718 CA GLU A 47 9.487 8.831 0.765 1.00 0.00 C ATOM 719 C GLU A 47 9.102 9.940 -0.238 1.00 0.00 C ATOM 720 O GLU A 47 8.544 10.965 0.161 1.00 0.00 O ATOM 721 CB GLU A 47 10.572 9.303 1.754 1.00 0.00 C ATOM 722 CG GLU A 47 11.844 9.916 1.135 1.00 0.00 C ATOM 723 CD GLU A 47 12.618 8.977 0.192 1.00 0.00 C ATOM 724 OE1 GLU A 47 12.713 7.760 0.471 1.00 0.00 O ATOM 725 OE2 GLU A 47 13.133 9.461 -0.844 1.00 0.00 O ATOM 0 H GLU A 47 10.901 7.387 0.227 1.00 0.00 H new ATOM 0 HA GLU A 47 8.565 8.625 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.128 10.041 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.867 8.453 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.567 10.814 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.509 10.229 1.940 1.00 0.00 H new ATOM 732 N GLU A 48 9.374 9.739 -1.532 1.00 0.00 N ATOM 733 CA GLU A 48 8.896 10.607 -2.616 1.00 0.00 C ATOM 734 C GLU A 48 7.379 10.478 -2.865 1.00 0.00 C ATOM 735 O GLU A 48 6.769 11.382 -3.441 1.00 0.00 O ATOM 736 CB GLU A 48 9.697 10.342 -3.903 1.00 0.00 C ATOM 737 CG GLU A 48 9.482 8.954 -4.521 1.00 0.00 C ATOM 738 CD GLU A 48 10.354 8.775 -5.773 1.00 0.00 C ATOM 739 OE1 GLU A 48 9.992 9.303 -6.852 1.00 0.00 O ATOM 740 OE2 GLU A 48 11.416 8.114 -5.686 1.00 0.00 O ATOM 0 H GLU A 48 9.941 8.957 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 48 9.063 11.637 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.431 11.098 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.758 10.467 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.725 8.183 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.432 8.826 -4.782 1.00 0.00 H new ATOM 747 N TYR A 49 6.754 9.380 -2.417 1.00 0.00 N ATOM 748 CA TYR A 49 5.308 9.168 -2.459 1.00 0.00 C ATOM 749 C TYR A 49 4.644 9.646 -1.154 1.00 0.00 C ATOM 750 O TYR A 49 4.969 9.172 -0.063 1.00 0.00 O ATOM 751 CB TYR A 49 5.016 7.683 -2.725 1.00 0.00 C ATOM 752 CG TYR A 49 5.602 7.160 -4.024 1.00 0.00 C ATOM 753 CD1 TYR A 49 5.098 7.623 -5.255 1.00 0.00 C ATOM 754 CD2 TYR A 49 6.662 6.230 -4.009 1.00 0.00 C ATOM 755 CE1 TYR A 49 5.649 7.165 -6.466 1.00 0.00 C ATOM 756 CE2 TYR A 49 7.216 5.765 -5.218 1.00 0.00 C ATOM 757 CZ TYR A 49 6.711 6.234 -6.453 1.00 0.00 C ATOM 758 OH TYR A 49 7.246 5.798 -7.627 1.00 0.00 O ATOM 0 H TYR A 49 7.259 8.595 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 49 4.883 9.758 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.409 7.092 -1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.937 7.533 -2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.284 8.333 -5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.051 5.873 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.259 7.526 -7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.026 5.051 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 49 8.105 5.360 -7.452 1.00 0.00 H new ATOM 768 N ASP A 50 3.702 10.586 -1.263 1.00 0.00 N ATOM 769 CA ASP A 50 2.967 11.138 -0.120 1.00 0.00 C ATOM 770 C ASP A 50 1.973 10.113 0.447 1.00 0.00 C ATOM 771 O ASP A 50 1.024 9.704 -0.227 1.00 0.00 O ATOM 772 CB ASP A 50 2.261 12.436 -0.548 1.00 0.00 C ATOM 773 CG ASP A 50 1.357 13.023 0.546 1.00 0.00 C ATOM 774 OD1 ASP A 50 1.680 12.895 1.751 1.00 0.00 O ATOM 775 OD2 ASP A 50 0.312 13.610 0.189 1.00 0.00 O ATOM 0 H ASP A 50 3.424 10.991 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 50 3.670 11.370 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.012 13.176 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.663 12.240 -1.438 1.00 0.00 H new ATOM 780 N LEU A 51 2.169 9.727 1.711 1.00 0.00 N ATOM 781 CA LEU A 51 1.326 8.745 2.401 1.00 0.00 C ATOM 782 C LEU A 51 -0.140 9.197 2.459 1.00 0.00 C ATOM 783 O LEU A 51 -1.046 8.393 2.266 1.00 0.00 O ATOM 784 CB LEU A 51 1.873 8.509 3.820 1.00 0.00 C ATOM 785 CG LEU A 51 3.358 8.108 3.941 1.00 0.00 C ATOM 786 CD1 LEU A 51 3.664 7.839 5.420 1.00 0.00 C ATOM 787 CD2 LEU A 51 3.741 6.875 3.111 1.00 0.00 C ATOM 0 H LEU A 51 2.925 10.091 2.291 1.00 0.00 H new ATOM 0 HA LEU A 51 1.354 7.812 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.720 9.421 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.272 7.730 4.289 1.00 0.00 H new ATOM 0 HG LEU A 51 3.948 8.934 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.710 7.553 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.472 8.741 6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.028 7.031 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.800 6.658 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.149 6.019 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.546 7.071 2.057 1.00 0.00 H new ATOM 799 N LYS A 52 -0.382 10.499 2.641 1.00 0.00 N ATOM 800 CA LYS A 52 -1.725 11.098 2.638 1.00 0.00 C ATOM 801 C LYS A 52 -2.425 10.946 1.274 1.00 0.00 C ATOM 802 O LYS A 52 -3.616 10.644 1.232 1.00 0.00 O ATOM 803 CB LYS A 52 -1.640 12.575 3.064 1.00 0.00 C ATOM 804 CG LYS A 52 -0.947 12.779 4.424 1.00 0.00 C ATOM 805 CD LYS A 52 -0.943 14.249 4.878 1.00 0.00 C ATOM 806 CE LYS A 52 -0.296 15.235 3.889 1.00 0.00 C ATOM 807 NZ LYS A 52 1.133 14.932 3.615 1.00 0.00 N ATOM 0 H LYS A 52 0.361 11.180 2.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.337 10.558 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.099 13.135 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.647 12.991 3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.450 12.173 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.080 12.421 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.972 14.561 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.419 14.318 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.851 15.217 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.377 16.246 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.601 15.780 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.602 14.643 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.197 14.161 2.920 1.00 0.00 H new ATOM 821 N ARG A 53 -1.694 11.053 0.155 1.00 0.00 N ATOM 822 CA ARG A 53 -2.215 10.752 -1.189 1.00 0.00 C ATOM 823 C ARG A 53 -2.535 9.257 -1.352 1.00 0.00 C ATOM 824 O ARG A 53 -3.565 8.928 -1.944 1.00 0.00 O ATOM 825 CB ARG A 53 -1.236 11.257 -2.267 1.00 0.00 C ATOM 826 CG ARG A 53 -1.684 11.003 -3.719 1.00 0.00 C ATOM 827 CD ARG A 53 -3.034 11.641 -4.075 1.00 0.00 C ATOM 828 NE ARG A 53 -3.396 11.360 -5.475 1.00 0.00 N ATOM 829 CZ ARG A 53 -4.525 11.710 -6.082 1.00 0.00 C ATOM 830 NH1 ARG A 53 -5.467 12.395 -5.466 1.00 0.00 N ATOM 831 NH2 ARG A 53 -4.723 11.371 -7.337 1.00 0.00 N ATOM 0 H ARG A 53 -0.719 11.352 0.156 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.158 11.284 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.088 12.328 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.269 10.779 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.922 11.388 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.746 9.928 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.808 11.257 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.984 12.718 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.713 10.847 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.342 12.673 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.322 12.647 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.011 10.841 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.588 11.638 -7.807 1.00 0.00 H new ATOM 845 N ILE A 54 -1.722 8.358 -0.778 1.00 0.00 N ATOM 846 CA ILE A 54 -2.002 6.907 -0.746 1.00 0.00 C ATOM 847 C ILE A 54 -3.309 6.638 0.017 1.00 0.00 C ATOM 848 O ILE A 54 -4.140 5.876 -0.474 1.00 0.00 O ATOM 849 CB ILE A 54 -0.796 6.095 -0.206 1.00 0.00 C ATOM 850 CG1 ILE A 54 0.453 6.329 -1.092 1.00 0.00 C ATOM 851 CG2 ILE A 54 -1.151 4.596 -0.177 1.00 0.00 C ATOM 852 CD1 ILE A 54 1.746 5.691 -0.565 1.00 0.00 C ATOM 0 H ILE A 54 -0.847 8.614 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.147 6.556 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.569 6.430 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.252 5.938 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.611 7.402 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.302 4.028 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.012 4.439 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.391 4.259 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.565 5.908 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.978 6.099 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.614 4.612 -0.488 1.00 0.00 H new ATOM 864 N LEU A 55 -3.569 7.328 1.137 1.00 0.00 N ATOM 865 CA LEU A 55 -4.873 7.265 1.807 1.00 0.00 C ATOM 866 C LEU A 55 -5.994 7.728 0.867 1.00 0.00 C ATOM 867 O LEU A 55 -6.945 6.989 0.639 1.00 0.00 O ATOM 868 CB LEU A 55 -4.900 8.097 3.105 1.00 0.00 C ATOM 869 CG LEU A 55 -3.833 7.844 4.187 1.00 0.00 C ATOM 870 CD1 LEU A 55 -4.367 8.388 5.519 1.00 0.00 C ATOM 871 CD2 LEU A 55 -3.432 6.374 4.339 1.00 0.00 C ATOM 0 H LEU A 55 -2.892 7.936 1.597 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.039 6.222 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.836 9.148 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.876 7.950 3.567 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.924 8.359 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.628 8.221 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.560 9.457 5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.293 7.874 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.677 6.282 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.308 5.784 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.025 6.009 3.396 1.00 0.00 H new ATOM 883 N LYS A 56 -5.880 8.929 0.288 1.00 0.00 N ATOM 884 CA LYS A 56 -6.906 9.509 -0.594 1.00 0.00 C ATOM 885 C LYS A 56 -7.256 8.602 -1.782 1.00 0.00 C ATOM 886 O LYS A 56 -8.435 8.358 -2.032 1.00 0.00 O ATOM 887 CB LYS A 56 -6.429 10.888 -1.092 1.00 0.00 C ATOM 888 CG LYS A 56 -6.445 11.994 -0.022 1.00 0.00 C ATOM 889 CD LYS A 56 -7.862 12.466 0.339 1.00 0.00 C ATOM 890 CE LYS A 56 -7.783 13.628 1.338 1.00 0.00 C ATOM 891 NZ LYS A 56 -9.131 14.140 1.700 1.00 0.00 N ATOM 0 H LYS A 56 -5.068 9.532 0.418 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.820 9.615 -0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.415 10.789 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.060 11.197 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.951 11.627 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.866 12.845 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.390 12.783 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.431 11.642 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.266 13.298 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.191 14.436 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.034 14.924 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.615 14.479 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.688 13.376 2.133 1.00 0.00 H new ATOM 905 N VAL A 57 -6.258 8.079 -2.500 1.00 0.00 N ATOM 906 CA VAL A 57 -6.490 7.263 -3.706 1.00 0.00 C ATOM 907 C VAL A 57 -7.076 5.877 -3.386 1.00 0.00 C ATOM 908 O VAL A 57 -7.940 5.408 -4.125 1.00 0.00 O ATOM 909 CB VAL A 57 -5.223 7.165 -4.578 1.00 0.00 C ATOM 910 CG1 VAL A 57 -4.135 6.321 -3.924 1.00 0.00 C ATOM 911 CG2 VAL A 57 -5.538 6.645 -5.990 1.00 0.00 C ATOM 0 H VAL A 57 -5.273 8.205 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.249 7.784 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.839 8.181 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.263 6.282 -4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.854 6.766 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.509 5.311 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.618 6.591 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.983 5.652 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.237 7.323 -6.480 1.00 0.00 H new ATOM 921 N LEU A 58 -6.680 5.245 -2.273 1.00 0.00 N ATOM 922 CA LEU A 58 -7.257 3.962 -1.838 1.00 0.00 C ATOM 923 C LEU A 58 -8.674 4.131 -1.254 1.00 0.00 C ATOM 924 O LEU A 58 -9.529 3.262 -1.427 1.00 0.00 O ATOM 925 CB LEU A 58 -6.288 3.279 -0.853 1.00 0.00 C ATOM 926 CG LEU A 58 -4.907 2.917 -1.456 1.00 0.00 C ATOM 927 CD1 LEU A 58 -3.993 2.352 -0.364 1.00 0.00 C ATOM 928 CD2 LEU A 58 -5.004 1.903 -2.603 1.00 0.00 C ATOM 0 H LEU A 58 -5.956 5.604 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.379 3.315 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.135 3.937 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.755 2.369 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.493 3.838 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.024 2.100 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.859 3.098 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.445 1.456 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.006 1.689 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.458 0.982 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.617 2.317 -3.403 1.00 0.00 H new ATOM 940 N LYS A 59 -8.977 5.273 -0.633 1.00 0.00 N ATOM 941 CA LYS A 59 -10.344 5.634 -0.223 1.00 0.00 C ATOM 942 C LYS A 59 -11.255 5.976 -1.419 1.00 0.00 C ATOM 943 O LYS A 59 -12.457 5.716 -1.367 1.00 0.00 O ATOM 944 CB LYS A 59 -10.272 6.790 0.790 1.00 0.00 C ATOM 945 CG LYS A 59 -9.685 6.306 2.126 1.00 0.00 C ATOM 946 CD LYS A 59 -9.528 7.446 3.141 1.00 0.00 C ATOM 947 CE LYS A 59 -8.698 6.958 4.338 1.00 0.00 C ATOM 948 NZ LYS A 59 -8.710 7.915 5.476 1.00 0.00 N ATOM 0 H LYS A 59 -8.280 5.980 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.803 4.765 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.657 7.595 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.269 7.200 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.331 5.535 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.713 5.845 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.040 8.300 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.508 7.784 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.085 5.996 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.669 6.794 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.177 7.513 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.270 8.810 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.692 8.092 5.770 1.00 0.00 H new ATOM 962 N LYS A 60 -10.698 6.515 -2.513 1.00 0.00 N ATOM 963 CA LYS A 60 -11.435 6.883 -3.731 1.00 0.00 C ATOM 964 C LYS A 60 -11.662 5.693 -4.684 1.00 0.00 C ATOM 965 O LYS A 60 -12.806 5.336 -4.963 1.00 0.00 O ATOM 966 CB LYS A 60 -10.676 8.041 -4.412 1.00 0.00 C ATOM 967 CG LYS A 60 -11.314 8.571 -5.712 1.00 0.00 C ATOM 968 CD LYS A 60 -12.754 9.096 -5.580 1.00 0.00 C ATOM 969 CE LYS A 60 -12.856 10.266 -4.590 1.00 0.00 C ATOM 970 NZ LYS A 60 -14.235 10.820 -4.534 1.00 0.00 N ATOM 0 H LYS A 60 -9.699 6.712 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.439 7.206 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.594 8.866 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.662 7.709 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.688 9.374 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.304 7.771 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.113 9.417 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.406 8.286 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.558 9.929 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.160 11.052 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.265 11.608 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.510 11.164 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.896 10.076 -4.231 1.00 0.00 H new ATOM 984 N ASP A 61 -10.588 5.083 -5.195 1.00 0.00 N ATOM 985 CA ASP A 61 -10.638 4.089 -6.279 1.00 0.00 C ATOM 986 C ASP A 61 -10.998 2.675 -5.792 1.00 0.00 C ATOM 987 O ASP A 61 -11.791 1.985 -6.434 1.00 0.00 O ATOM 988 CB ASP A 61 -9.283 4.079 -7.006 1.00 0.00 C ATOM 989 CG ASP A 61 -9.348 3.275 -8.315 1.00 0.00 C ATOM 990 OD1 ASP A 61 -9.992 3.758 -9.278 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.747 2.178 -8.385 1.00 0.00 O ATOM 0 H ASP A 61 -9.641 5.267 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.437 4.383 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.978 5.103 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.522 3.651 -6.353 1.00 0.00 H new ATOM 996 N PHE A 62 -10.449 2.263 -4.642 1.00 0.00 N ATOM 997 CA PHE A 62 -10.711 0.959 -4.017 1.00 0.00 C ATOM 998 C PHE A 62 -11.877 1.010 -3.008 1.00 0.00 C ATOM 999 O PHE A 62 -12.277 -0.036 -2.492 1.00 0.00 O ATOM 1000 CB PHE A 62 -9.422 0.449 -3.346 1.00 0.00 C ATOM 1001 CG PHE A 62 -8.289 0.103 -4.293 1.00 0.00 C ATOM 1002 CD1 PHE A 62 -7.498 1.117 -4.868 1.00 0.00 C ATOM 1003 CD2 PHE A 62 -7.996 -1.245 -4.569 1.00 0.00 C ATOM 1004 CE1 PHE A 62 -6.422 0.784 -5.707 1.00 0.00 C ATOM 1005 CE2 PHE A 62 -6.913 -1.577 -5.401 1.00 0.00 C ATOM 1006 CZ PHE A 62 -6.124 -0.565 -5.969 1.00 0.00 C ATOM 0 H PHE A 62 -9.797 2.838 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.017 0.265 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.071 1.209 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.664 -0.436 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.720 2.154 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.605 -2.027 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.823 1.565 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.687 -2.614 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.290 -0.822 -6.606 1.00 0.00 H new ATOM 1016 N ALA A 63 -12.404 2.209 -2.710 1.00 0.00 N ATOM 1017 CA ALA A 63 -13.494 2.464 -1.755 1.00 0.00 C ATOM 1018 C ALA A 63 -13.165 1.978 -0.321 1.00 0.00 C ATOM 1019 O ALA A 63 -14.061 1.576 0.429 1.00 0.00 O ATOM 1020 CB ALA A 63 -14.809 1.901 -2.324 1.00 0.00 C ATOM 0 H ALA A 63 -12.066 3.066 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.619 3.540 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.620 2.088 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.033 2.389 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.707 0.828 -2.483 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.876 1.966 0.046 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.370 1.384 1.293 1.00 0.00 C ATOM 1028 C CYS A 64 -11.304 2.431 2.429 1.00 0.00 C ATOM 1029 O CYS A 64 -11.915 3.498 2.329 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.024 0.713 0.959 1.00 0.00 C ATOM 1031 SG CYS A 64 -9.718 -0.632 2.138 1.00 0.00 S ATOM 0 H CYS A 64 -11.140 2.371 -0.532 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.048 0.627 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.041 0.323 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.218 1.445 1.007 1.00 0.00 H new ATOM 0 HG CYS A 64 -9.203 -1.649 1.512 1.00 0.00 H new ATOM 1037 N ASN A 65 -10.541 2.159 3.493 1.00 0.00 N ATOM 1038 CA ASN A 65 -10.271 3.111 4.577 1.00 0.00 C ATOM 1039 C ASN A 65 -8.954 2.782 5.298 1.00 0.00 C ATOM 1040 O ASN A 65 -8.528 1.626 5.311 1.00 0.00 O ATOM 1041 CB ASN A 65 -11.462 3.172 5.551 1.00 0.00 C ATOM 1042 CG ASN A 65 -11.302 4.283 6.587 1.00 0.00 C ATOM 1043 OD1 ASN A 65 -10.864 5.387 6.281 1.00 0.00 O ATOM 1044 ND2 ASN A 65 -11.604 4.018 7.843 1.00 0.00 N ATOM 0 H ASN A 65 -10.086 1.256 3.628 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.150 4.102 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.382 3.332 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.562 2.214 6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.473 4.731 8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.968 3.100 8.097 1.00 0.00 H new ATOM 1051 N GLY A 66 -8.299 3.795 5.878 1.00 0.00 N ATOM 1052 CA GLY A 66 -6.959 3.685 6.455 1.00 0.00 C ATOM 1053 C GLY A 66 -6.422 4.952 7.115 1.00 0.00 C ATOM 1054 O GLY A 66 -7.062 6.006 7.083 1.00 0.00 O ATOM 0 H GLY A 66 -8.696 4.731 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.966 2.885 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.267 3.385 5.668 1.00 0.00 H new ATOM 1058 N ASN A 67 -5.232 4.826 7.705 1.00 0.00 N ATOM 1059 CA ASN A 67 -4.530 5.875 8.465 1.00 0.00 C ATOM 1060 C ASN A 67 -3.006 5.630 8.554 1.00 0.00 C ATOM 1061 O ASN A 67 -2.529 4.530 8.273 1.00 0.00 O ATOM 1062 CB ASN A 67 -5.181 6.057 9.854 1.00 0.00 C ATOM 1063 CG ASN A 67 -4.756 5.009 10.881 1.00 0.00 C ATOM 1064 OD1 ASN A 67 -4.023 5.304 11.814 1.00 0.00 O ATOM 1065 ND2 ASN A 67 -5.185 3.766 10.744 1.00 0.00 N ATOM 0 H ASN A 67 -4.704 3.954 7.668 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.639 6.811 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.930 7.047 10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.265 6.024 9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.904 3.053 11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.797 3.520 9.965 1.00 0.00 H new ATOM 1072 N ILE A 68 -2.228 6.647 8.944 1.00 0.00 N ATOM 1073 CA ILE A 68 -0.753 6.588 9.074 1.00 0.00 C ATOM 1074 C ILE A 68 -0.364 6.436 10.555 1.00 0.00 C ATOM 1075 O ILE A 68 -0.903 7.148 11.404 1.00 0.00 O ATOM 1076 CB ILE A 68 -0.118 7.861 8.454 1.00 0.00 C ATOM 1077 CG1 ILE A 68 -0.447 7.985 6.948 1.00 0.00 C ATOM 1078 CG2 ILE A 68 1.414 7.870 8.640 1.00 0.00 C ATOM 1079 CD1 ILE A 68 -0.353 9.426 6.431 1.00 0.00 C ATOM 0 H ILE A 68 -2.610 7.561 9.186 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.373 5.721 8.533 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.548 8.713 8.980 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.237 7.355 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.453 7.605 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.829 8.774 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.652 7.847 9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.845 6.995 8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.595 9.448 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.057 10.055 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.660 9.801 6.580 1.00 0.00 H new ATOM 1091 N VAL A 69 0.581 5.540 10.862 1.00 0.00 N ATOM 1092 CA VAL A 69 1.058 5.237 12.229 1.00 0.00 C ATOM 1093 C VAL A 69 2.581 5.079 12.230 1.00 0.00 C ATOM 1094 O VAL A 69 3.138 4.537 11.283 1.00 0.00 O ATOM 1095 CB VAL A 69 0.407 3.933 12.766 1.00 0.00 C ATOM 1096 CG1 VAL A 69 0.898 3.548 14.175 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.127 4.042 12.811 1.00 0.00 C ATOM 0 H VAL A 69 1.054 4.985 10.148 1.00 0.00 H new ATOM 0 HA VAL A 69 0.774 6.066 12.878 1.00 0.00 H new ATOM 0 HB VAL A 69 0.712 3.157 12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.406 2.629 14.493 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.977 3.394 14.155 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.659 4.349 14.875 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.547 3.111 13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.414 4.864 13.466 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.508 4.228 11.807 1.00 0.00 H new ATOM 1209 N ILE A 77 4.290 3.547 8.904 1.00 0.00 N ATOM 1210 CA ILE A 77 3.429 2.639 8.134 1.00 0.00 C ATOM 1211 C ILE A 77 2.028 3.210 7.879 1.00 0.00 C ATOM 1212 O ILE A 77 1.488 3.981 8.680 1.00 0.00 O ATOM 1213 CB ILE A 77 3.296 1.254 8.834 1.00 0.00 C ATOM 1214 CG1 ILE A 77 2.696 1.353 10.259 1.00 0.00 C ATOM 1215 CG2 ILE A 77 4.634 0.498 8.828 1.00 0.00 C ATOM 1216 CD1 ILE A 77 2.548 0.010 10.980 1.00 0.00 C ATOM 0 HA ILE A 77 3.922 2.518 7.169 1.00 0.00 H new ATOM 0 HB ILE A 77 2.582 0.675 8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.327 2.007 10.861 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.716 1.827 10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.510 -0.465 9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.957 0.338 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.385 1.084 9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.121 0.173 11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.891 -0.642 10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.527 -0.459 11.080 1.00 0.00 H new ATOM 1228 N ILE A 78 1.415 2.778 6.775 1.00 0.00 N ATOM 1229 CA ILE A 78 -0.016 2.972 6.501 1.00 0.00 C ATOM 1230 C ILE A 78 -0.746 1.692 6.915 1.00 0.00 C ATOM 1231 O ILE A 78 -0.327 0.596 6.538 1.00 0.00 O ATOM 1232 CB ILE A 78 -0.272 3.291 5.009 1.00 0.00 C ATOM 1233 CG1 ILE A 78 0.329 4.660 4.625 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -1.784 3.256 4.683 1.00 0.00 C ATOM 1235 CD1 ILE A 78 0.544 4.777 3.114 1.00 0.00 C ATOM 0 H ILE A 78 1.903 2.276 6.033 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.387 3.825 7.069 1.00 0.00 H new ATOM 0 HB ILE A 78 0.223 2.520 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.335 5.457 4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.280 4.798 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.934 3.484 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.180 2.264 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.305 3.996 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.968 5.754 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.228 3.996 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.411 4.665 2.601 1.00 0.00 H new ATOM 1247 N GLN A 79 -1.839 1.838 7.656 1.00 0.00 N ATOM 1248 CA GLN A 79 -2.799 0.780 7.948 1.00 0.00 C ATOM 1249 C GLN A 79 -3.996 0.963 7.007 1.00 0.00 C ATOM 1250 O GLN A 79 -4.512 2.075 6.896 1.00 0.00 O ATOM 1251 CB GLN A 79 -3.290 0.906 9.399 1.00 0.00 C ATOM 1252 CG GLN A 79 -2.206 0.670 10.462 1.00 0.00 C ATOM 1253 CD GLN A 79 -2.724 0.873 11.890 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -3.737 1.513 12.145 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -2.047 0.331 12.881 1.00 0.00 N ATOM 0 H GLN A 79 -2.090 2.729 8.085 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.334 -0.196 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.710 1.902 9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.099 0.193 9.559 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.819 -0.344 10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.373 1.349 10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.201 -0.205 12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.368 0.447 13.842 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.462 -0.111 6.368 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.674 -0.155 5.544 1.00 0.00 C ATOM 1266 C LEU A 80 -6.609 -1.245 6.097 1.00 0.00 C ATOM 1267 O LEU A 80 -6.134 -2.283 6.554 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.257 -0.444 4.083 1.00 0.00 C ATOM 1269 CG LEU A 80 -6.167 0.170 3.006 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -6.032 1.699 2.949 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -5.788 -0.401 1.632 1.00 0.00 C ATOM 0 H LEU A 80 -3.986 -1.012 6.411 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.210 0.794 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.243 -0.074 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.228 -1.524 3.938 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.196 -0.079 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.691 2.094 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.308 2.125 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.001 1.965 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.432 0.033 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.748 -0.158 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.914 -1.484 1.641 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.923 -1.038 6.081 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.887 -1.999 6.632 1.00 0.00 C ATOM 1285 C GLN A 81 -9.023 -3.251 5.751 1.00 0.00 C ATOM 1286 O GLN A 81 -9.177 -3.145 4.535 1.00 0.00 O ATOM 1287 CB GLN A 81 -10.249 -1.321 6.855 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.244 -0.430 8.110 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.644 0.053 8.498 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.972 1.230 8.422 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -12.529 -0.823 8.930 1.00 0.00 N ATOM 0 H GLN A 81 -8.354 -0.202 5.687 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.506 -2.336 7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.503 -0.719 5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.023 -2.083 6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.812 -0.985 8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.602 0.433 7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.278 -1.809 9.001 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.465 -0.515 9.193 1.00 0.00 H new ATOM 1300 N GLY A 82 -9.004 -4.440 6.370 1.00 0.00 N ATOM 1301 CA GLY A 82 -9.108 -5.745 5.702 1.00 0.00 C ATOM 1302 C GLY A 82 -7.759 -6.313 5.248 1.00 0.00 C ATOM 1303 O GLY A 82 -6.695 -5.803 5.600 1.00 0.00 O ATOM 0 H GLY A 82 -8.913 -4.522 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.581 -6.454 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.762 -5.649 4.835 1.00 0.00 H new ATOM 1307 N ASP A 83 -7.812 -7.392 4.467 1.00 0.00 N ATOM 1308 CA ASP A 83 -6.675 -8.102 3.865 1.00 0.00 C ATOM 1309 C ASP A 83 -6.451 -7.654 2.402 1.00 0.00 C ATOM 1310 O ASP A 83 -6.831 -8.328 1.443 1.00 0.00 O ATOM 1311 CB ASP A 83 -6.876 -9.625 4.018 1.00 0.00 C ATOM 1312 CG ASP A 83 -8.136 -10.200 3.332 1.00 0.00 C ATOM 1313 OD1 ASP A 83 -9.256 -9.691 3.580 1.00 0.00 O ATOM 1314 OD2 ASP A 83 -8.005 -11.204 2.592 1.00 0.00 O ATOM 0 H ASP A 83 -8.703 -7.823 4.220 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.757 -7.844 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.000 -10.132 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.921 -9.863 5.081 1.00 0.00 H new ATOM 1319 N GLN A 84 -5.843 -6.477 2.237 1.00 0.00 N ATOM 1320 CA GLN A 84 -5.690 -5.754 0.970 1.00 0.00 C ATOM 1321 C GLN A 84 -4.306 -5.920 0.334 1.00 0.00 C ATOM 1322 O GLN A 84 -3.943 -5.169 -0.573 1.00 0.00 O ATOM 1323 CB GLN A 84 -6.064 -4.269 1.172 1.00 0.00 C ATOM 1324 CG GLN A 84 -7.350 -4.023 1.985 1.00 0.00 C ATOM 1325 CD GLN A 84 -8.606 -4.741 1.487 1.00 0.00 C ATOM 1326 OE1 GLN A 84 -8.683 -5.301 0.401 1.00 0.00 O ATOM 1327 NE2 GLN A 84 -9.652 -4.739 2.280 1.00 0.00 N ATOM 0 H GLN A 84 -5.423 -5.977 3.021 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.379 -6.200 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.236 -3.767 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.177 -3.802 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.168 -4.325 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.549 -2.951 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.603 -4.277 3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.514 -5.200 1.988 1.00 0.00 H new ATOM 1336 N ARG A 85 -3.526 -6.906 0.788 1.00 0.00 N ATOM 1337 CA ARG A 85 -2.119 -7.059 0.418 1.00 0.00 C ATOM 1338 C ARG A 85 -1.877 -7.205 -1.094 1.00 0.00 C ATOM 1339 O ARG A 85 -0.970 -6.572 -1.637 1.00 0.00 O ATOM 1340 CB ARG A 85 -1.467 -8.169 1.264 1.00 0.00 C ATOM 1341 CG ARG A 85 -2.132 -9.551 1.123 1.00 0.00 C ATOM 1342 CD ARG A 85 -1.504 -10.575 2.073 1.00 0.00 C ATOM 1343 NE ARG A 85 -2.328 -11.793 2.162 1.00 0.00 N ATOM 1344 CZ ARG A 85 -2.132 -12.796 3.008 1.00 0.00 C ATOM 1345 NH1 ARG A 85 -1.097 -12.852 3.811 1.00 0.00 N ATOM 1346 NH2 ARG A 85 -2.980 -13.794 3.083 1.00 0.00 N ATOM 0 H ARG A 85 -3.859 -7.626 1.429 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.616 -6.122 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.417 -8.254 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.493 -7.872 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.198 -9.466 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.035 -9.900 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.504 -10.834 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.392 -10.135 3.064 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.116 -11.872 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.403 -12.105 3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.986 -13.643 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.806 -13.807 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.813 -14.557 3.739 1.00 0.00 H new ATOM 1360 N ALA A 86 -2.731 -7.955 -1.794 1.00 0.00 N ATOM 1361 CA ALA A 86 -2.708 -8.077 -3.256 1.00 0.00 C ATOM 1362 C ALA A 86 -3.219 -6.801 -3.953 1.00 0.00 C ATOM 1363 O ALA A 86 -2.623 -6.336 -4.926 1.00 0.00 O ATOM 1364 CB ALA A 86 -3.550 -9.304 -3.629 1.00 0.00 C ATOM 0 H ALA A 86 -3.470 -8.504 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.682 -8.204 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.555 -9.426 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.122 -10.193 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.571 -9.166 -3.274 1.00 0.00 H new ATOM 1370 N LYS A 87 -4.288 -6.190 -3.430 1.00 0.00 N ATOM 1371 CA LYS A 87 -4.887 -4.969 -3.987 1.00 0.00 C ATOM 1372 C LYS A 87 -3.949 -3.754 -3.888 1.00 0.00 C ATOM 1373 O LYS A 87 -3.804 -3.011 -4.858 1.00 0.00 O ATOM 1374 CB LYS A 87 -6.238 -4.706 -3.296 1.00 0.00 C ATOM 1375 CG LYS A 87 -7.289 -5.765 -3.668 1.00 0.00 C ATOM 1376 CD LYS A 87 -8.687 -5.338 -3.198 1.00 0.00 C ATOM 1377 CE LYS A 87 -9.732 -6.454 -3.353 1.00 0.00 C ATOM 1378 NZ LYS A 87 -10.032 -6.769 -4.776 1.00 0.00 N ATOM 0 H LYS A 87 -4.768 -6.533 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.054 -5.124 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.097 -4.698 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.603 -3.718 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.294 -5.915 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.025 -6.720 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.637 -5.035 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.006 -4.465 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.372 -7.354 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.652 -6.157 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.742 -7.528 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.402 -5.920 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.162 -7.080 -5.254 1.00 0.00 H new ATOM 1392 N VAL A 88 -3.255 -3.583 -2.761 1.00 0.00 N ATOM 1393 CA VAL A 88 -2.247 -2.519 -2.591 1.00 0.00 C ATOM 1394 C VAL A 88 -0.992 -2.803 -3.431 1.00 0.00 C ATOM 1395 O VAL A 88 -0.434 -1.871 -4.001 1.00 0.00 O ATOM 1396 CB VAL A 88 -1.891 -2.286 -1.107 1.00 0.00 C ATOM 1397 CG1 VAL A 88 -0.801 -1.214 -0.937 1.00 0.00 C ATOM 1398 CG2 VAL A 88 -3.128 -1.823 -0.318 1.00 0.00 C ATOM 0 H VAL A 88 -3.371 -4.174 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.693 -1.594 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.524 -3.239 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.582 -1.083 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.103 -1.529 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.151 -0.270 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.856 -1.664 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.502 -0.891 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.904 -2.586 -0.378 1.00 0.00 H new ATOM 1408 N CYS A 89 -0.579 -4.070 -3.594 1.00 0.00 N ATOM 1409 CA CYS A 89 0.490 -4.432 -4.535 1.00 0.00 C ATOM 1410 C CYS A 89 0.141 -3.983 -5.967 1.00 0.00 C ATOM 1411 O CYS A 89 0.928 -3.292 -6.615 1.00 0.00 O ATOM 1412 CB CYS A 89 0.739 -5.944 -4.425 1.00 0.00 C ATOM 1413 SG CYS A 89 2.179 -6.421 -5.422 1.00 0.00 S ATOM 0 H CYS A 89 -0.971 -4.862 -3.084 1.00 0.00 H new ATOM 0 HA CYS A 89 1.413 -3.911 -4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.903 -6.217 -3.383 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.142 -6.490 -4.762 1.00 0.00 H new ATOM 0 HG CYS A 89 2.376 -7.702 -5.315 1.00 0.00 H new ATOM 1419 N GLU A 90 -1.075 -4.294 -6.421 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.595 -3.860 -7.715 1.00 0.00 C ATOM 1421 C GLU A 90 -1.631 -2.325 -7.853 1.00 0.00 C ATOM 1422 O GLU A 90 -1.250 -1.818 -8.909 1.00 0.00 O ATOM 1423 CB GLU A 90 -2.975 -4.498 -7.937 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.471 -4.298 -9.370 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.765 -5.087 -9.620 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.867 -4.560 -9.336 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -4.691 -6.239 -10.111 1.00 0.00 O ATOM 0 H GLU A 90 -1.734 -4.863 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.916 -4.200 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.922 -5.564 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.692 -4.064 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.646 -3.238 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.703 -4.620 -10.073 1.00 0.00 H new ATOM 1434 N PHE A 91 -2.000 -1.573 -6.803 1.00 0.00 N ATOM 1435 CA PHE A 91 -1.976 -0.105 -6.810 1.00 0.00 C ATOM 1436 C PHE A 91 -0.561 0.441 -7.059 1.00 0.00 C ATOM 1437 O PHE A 91 -0.368 1.292 -7.929 1.00 0.00 O ATOM 1438 CB PHE A 91 -2.527 0.433 -5.476 1.00 0.00 C ATOM 1439 CG PHE A 91 -2.213 1.898 -5.248 1.00 0.00 C ATOM 1440 CD1 PHE A 91 -2.876 2.883 -5.998 1.00 0.00 C ATOM 1441 CD2 PHE A 91 -1.183 2.267 -4.363 1.00 0.00 C ATOM 1442 CE1 PHE A 91 -2.491 4.229 -5.883 1.00 0.00 C ATOM 1443 CE2 PHE A 91 -0.809 3.617 -4.233 1.00 0.00 C ATOM 1444 CZ PHE A 91 -1.459 4.597 -5.002 1.00 0.00 C ATOM 0 H PHE A 91 -2.325 -1.971 -5.922 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.608 0.237 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.608 0.292 -5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.112 -0.153 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.681 2.606 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.677 1.511 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.989 4.984 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.026 3.899 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.166 5.633 -4.916 1.00 0.00 H new ATOM 1454 N MET A 92 0.427 -0.063 -6.313 1.00 0.00 N ATOM 1455 CA MET A 92 1.827 0.373 -6.394 1.00 0.00 C ATOM 1456 C MET A 92 2.399 0.123 -7.800 1.00 0.00 C ATOM 1457 O MET A 92 3.108 0.968 -8.344 1.00 0.00 O ATOM 1458 CB MET A 92 2.646 -0.372 -5.323 1.00 0.00 C ATOM 1459 CG MET A 92 2.192 -0.079 -3.883 1.00 0.00 C ATOM 1460 SD MET A 92 2.810 1.433 -3.116 1.00 0.00 S ATOM 1461 CE MET A 92 1.677 1.482 -1.702 1.00 0.00 C ATOM 0 H MET A 92 0.275 -0.799 -5.623 1.00 0.00 H new ATOM 0 HA MET A 92 1.884 1.446 -6.208 1.00 0.00 H new ATOM 0 HB2 MET A 92 2.576 -1.444 -5.506 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.696 -0.099 -5.426 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.103 -0.042 -3.873 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.488 -0.921 -3.257 1.00 0.00 H new ATOM 0 HE1 MET A 92 1.896 2.357 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.649 1.538 -2.061 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.804 0.580 -1.103 1.00 0.00 H new ATOM 1471 N ILE A 93 2.037 -1.001 -8.425 1.00 0.00 N ATOM 1472 CA ILE A 93 2.473 -1.357 -9.785 1.00 0.00 C ATOM 1473 C ILE A 93 1.741 -0.509 -10.838 1.00 0.00 C ATOM 1474 O ILE A 93 2.362 0.032 -11.752 1.00 0.00 O ATOM 1475 CB ILE A 93 2.274 -2.876 -10.019 1.00 0.00 C ATOM 1476 CG1 ILE A 93 3.141 -3.710 -9.043 1.00 0.00 C ATOM 1477 CG2 ILE A 93 2.625 -3.285 -11.463 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.695 -5.174 -8.940 1.00 0.00 C ATOM 0 H ILE A 93 1.427 -1.699 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 93 3.535 -1.137 -9.889 1.00 0.00 H new ATOM 0 HB ILE A 93 1.218 -3.079 -9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.180 -3.676 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.103 -3.255 -8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.472 -4.357 -11.585 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.984 -2.745 -12.160 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.668 -3.042 -11.667 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.343 -5.703 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.666 -5.217 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.760 -5.644 -9.921 1.00 0.00 H new ATOM 1490 N SER A 94 0.422 -0.371 -10.713 1.00 0.00 N ATOM 1491 CA SER A 94 -0.433 0.214 -11.756 1.00 0.00 C ATOM 1492 C SER A 94 -0.471 1.750 -11.761 1.00 0.00 C ATOM 1493 O SER A 94 -0.535 2.356 -12.833 1.00 0.00 O ATOM 1494 CB SER A 94 -1.868 -0.307 -11.592 1.00 0.00 C ATOM 1495 OG SER A 94 -1.932 -1.723 -11.686 1.00 0.00 O ATOM 0 H SER A 94 -0.091 -0.663 -9.881 1.00 0.00 H new ATOM 0 HA SER A 94 0.008 -0.092 -12.705 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.261 0.011 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.505 0.137 -12.357 1.00 0.00 H new ATOM 0 HG SER A 94 -1.711 -2.119 -10.817 1.00 0.00 H new ATOM 1501 N GLN A 95 -0.461 2.394 -10.586 1.00 0.00 N ATOM 1502 CA GLN A 95 -0.658 3.844 -10.455 1.00 0.00 C ATOM 1503 C GLN A 95 0.651 4.601 -10.196 1.00 0.00 C ATOM 1504 O GLN A 95 0.847 5.674 -10.770 1.00 0.00 O ATOM 1505 CB GLN A 95 -1.676 4.138 -9.337 1.00 0.00 C ATOM 1506 CG GLN A 95 -3.059 3.488 -9.549 1.00 0.00 C ATOM 1507 CD GLN A 95 -3.750 3.870 -10.865 1.00 0.00 C ATOM 1508 OE1 GLN A 95 -3.544 4.934 -11.438 1.00 0.00 O ATOM 1509 NE2 GLN A 95 -4.600 3.018 -11.400 1.00 0.00 N ATOM 0 H GLN A 95 -0.315 1.921 -9.694 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.045 4.202 -11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.266 3.791 -8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.804 5.217 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.946 2.404 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.708 3.767 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.786 2.127 -10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.072 3.249 -12.274 1.00 0.00 H new ATOM 1518 N LEU A 96 1.558 4.057 -9.371 1.00 0.00 N ATOM 1519 CA LEU A 96 2.875 4.670 -9.127 1.00 0.00 C ATOM 1520 C LEU A 96 3.902 4.296 -10.210 1.00 0.00 C ATOM 1521 O LEU A 96 4.929 4.964 -10.342 1.00 0.00 O ATOM 1522 CB LEU A 96 3.405 4.300 -7.727 1.00 0.00 C ATOM 1523 CG LEU A 96 2.409 4.483 -6.560 1.00 0.00 C ATOM 1524 CD1 LEU A 96 3.113 4.134 -5.244 1.00 0.00 C ATOM 1525 CD2 LEU A 96 1.844 5.910 -6.478 1.00 0.00 C ATOM 0 H LEU A 96 1.403 3.189 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 96 2.734 5.750 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.727 3.259 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.289 4.904 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 96 1.566 3.816 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.417 4.260 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.454 3.099 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.969 4.794 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.150 5.979 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.661 6.617 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.319 6.147 -7.404 1.00 0.00 H new ATOM 1537 N GLY A 97 3.635 3.234 -10.984 1.00 0.00 N ATOM 1538 CA GLY A 97 4.508 2.742 -12.056 1.00 0.00 C ATOM 1539 C GLY A 97 5.679 1.892 -11.553 1.00 0.00 C ATOM 1540 O GLY A 97 6.646 1.704 -12.296 1.00 0.00 O ATOM 0 H GLY A 97 2.785 2.681 -10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.915 2.151 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.901 3.593 -12.613 1.00 0.00 H new ATOM 1544 N LEU A 98 5.624 1.398 -10.309 1.00 0.00 N ATOM 1545 CA LEU A 98 6.667 0.549 -9.722 1.00 0.00 C ATOM 1546 C LEU A 98 6.689 -0.841 -10.379 1.00 0.00 C ATOM 1547 O LEU A 98 5.703 -1.282 -10.972 1.00 0.00 O ATOM 1548 CB LEU A 98 6.473 0.466 -8.196 1.00 0.00 C ATOM 1549 CG LEU A 98 6.716 1.806 -7.468 1.00 0.00 C ATOM 1550 CD1 LEU A 98 6.215 1.695 -6.026 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.205 2.186 -7.456 1.00 0.00 C ATOM 0 H LEU A 98 4.845 1.579 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 98 7.641 0.998 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.459 0.126 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.151 -0.285 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 98 6.173 2.584 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.385 2.639 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.149 1.469 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.754 0.898 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.334 3.135 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.774 1.410 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.564 2.283 -8.481 1.00 0.00 H new ATOM 1563 N GLN A 99 7.812 -1.549 -10.269 1.00 0.00 N ATOM 1564 CA GLN A 99 7.940 -2.922 -10.762 1.00 0.00 C ATOM 1565 C GLN A 99 7.476 -3.900 -9.675 1.00 0.00 C ATOM 1566 O GLN A 99 7.689 -3.665 -8.485 1.00 0.00 O ATOM 1567 CB GLN A 99 9.393 -3.212 -11.181 1.00 0.00 C ATOM 1568 CG GLN A 99 9.896 -2.276 -12.297 1.00 0.00 C ATOM 1569 CD GLN A 99 11.331 -2.574 -12.750 1.00 0.00 C ATOM 1570 OE1 GLN A 99 12.092 -3.303 -12.125 1.00 0.00 O ATOM 1571 NE2 GLN A 99 11.766 -2.014 -13.860 1.00 0.00 N ATOM 0 H GLN A 99 8.661 -1.187 -9.835 1.00 0.00 H new ATOM 0 HA GLN A 99 7.310 -3.049 -11.642 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.043 -3.113 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.468 -4.245 -11.520 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.229 -2.357 -13.155 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.841 -1.245 -11.947 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.151 -1.403 -14.398 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.718 -2.191 -14.182 1.00 0.00 H new ATOM 1580 N LYS A 100 6.883 -5.035 -10.066 1.00 0.00 N ATOM 1581 CA LYS A 100 6.410 -6.048 -9.111 1.00 0.00 C ATOM 1582 C LYS A 100 7.531 -6.535 -8.168 1.00 0.00 C ATOM 1583 O LYS A 100 7.315 -6.717 -6.970 1.00 0.00 O ATOM 1584 CB LYS A 100 5.747 -7.186 -9.889 1.00 0.00 C ATOM 1585 CG LYS A 100 5.070 -8.180 -8.931 1.00 0.00 C ATOM 1586 CD LYS A 100 4.062 -9.018 -9.716 1.00 0.00 C ATOM 1587 CE LYS A 100 3.462 -10.177 -8.903 1.00 0.00 C ATOM 1588 NZ LYS A 100 4.443 -11.263 -8.639 1.00 0.00 N ATOM 0 H LYS A 100 6.718 -5.277 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 100 5.668 -5.600 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.008 -6.779 -10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.494 -7.705 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.817 -8.825 -8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.568 -7.644 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.255 -8.372 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.550 -9.422 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.087 -9.793 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.608 -10.588 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.981 -12.025 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.796 -11.639 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.239 -10.885 -8.087 1.00 0.00 H new ATOM 1602 N LYS A 101 8.758 -6.657 -8.689 1.00 0.00 N ATOM 1603 CA LYS A 101 9.963 -7.042 -7.936 1.00 0.00 C ATOM 1604 C LYS A 101 10.423 -6.026 -6.865 1.00 0.00 C ATOM 1605 O LYS A 101 11.267 -6.371 -6.041 1.00 0.00 O ATOM 1606 CB LYS A 101 11.086 -7.404 -8.927 1.00 0.00 C ATOM 1607 CG LYS A 101 11.613 -6.213 -9.748 1.00 0.00 C ATOM 1608 CD LYS A 101 12.623 -6.654 -10.822 1.00 0.00 C ATOM 1609 CE LYS A 101 13.917 -7.283 -10.277 1.00 0.00 C ATOM 1610 NZ LYS A 101 14.773 -6.299 -9.562 1.00 0.00 N ATOM 0 H LYS A 101 8.948 -6.486 -9.676 1.00 0.00 H new ATOM 0 HA LYS A 101 9.697 -7.918 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.915 -7.844 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.718 -8.168 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.776 -5.703 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.086 -5.493 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.138 -7.372 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.885 -5.788 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.663 -8.098 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.481 -7.718 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.631 -6.773 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.040 -5.533 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.247 -5.902 -8.757 1.00 0.00 H new ATOM 1624 N ASN A 102 9.868 -4.806 -6.820 1.00 0.00 N ATOM 1625 CA ASN A 102 10.097 -3.855 -5.720 1.00 0.00 C ATOM 1626 C ASN A 102 9.258 -4.172 -4.460 1.00 0.00 C ATOM 1627 O ASN A 102 9.456 -3.548 -3.414 1.00 0.00 O ATOM 1628 CB ASN A 102 9.785 -2.415 -6.179 1.00 0.00 C ATOM 1629 CG ASN A 102 10.559 -1.932 -7.407 1.00 0.00 C ATOM 1630 OD1 ASN A 102 10.000 -1.330 -8.315 1.00 0.00 O ATOM 1631 ND2 ASN A 102 11.860 -2.153 -7.470 1.00 0.00 N ATOM 0 H ASN A 102 9.247 -4.450 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 102 11.149 -3.951 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.718 -2.344 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.991 -1.736 -5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.395 -1.823 -8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.329 -2.654 -6.716 1.00 0.00 H new ATOM 1638 N ILE A 103 8.301 -5.105 -4.542 1.00 0.00 N ATOM 1639 CA ILE A 103 7.283 -5.353 -3.511 1.00 0.00 C ATOM 1640 C ILE A 103 7.410 -6.774 -2.943 1.00 0.00 C ATOM 1641 O ILE A 103 7.566 -7.748 -3.684 1.00 0.00 O ATOM 1642 CB ILE A 103 5.867 -5.100 -4.091 1.00 0.00 C ATOM 1643 CG1 ILE A 103 5.774 -3.723 -4.802 1.00 0.00 C ATOM 1644 CG2 ILE A 103 4.812 -5.198 -2.971 1.00 0.00 C ATOM 1645 CD1 ILE A 103 4.459 -3.495 -5.546 1.00 0.00 C ATOM 0 H ILE A 103 8.210 -5.724 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 103 7.444 -4.659 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 103 5.671 -5.868 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.902 -2.934 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.599 -3.634 -5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.821 -5.019 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.844 -6.193 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.024 -4.452 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.472 -2.511 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.337 -4.261 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.629 -3.550 -4.842 1.00 0.00 H new ATOM 1657 N LYS A 104 7.311 -6.889 -1.620 1.00 0.00 N ATOM 1658 CA LYS A 104 7.190 -8.137 -0.864 1.00 0.00 C ATOM 1659 C LYS A 104 5.796 -8.224 -0.211 1.00 0.00 C ATOM 1660 O LYS A 104 5.315 -7.249 0.375 1.00 0.00 O ATOM 1661 CB LYS A 104 8.281 -8.172 0.219 1.00 0.00 C ATOM 1662 CG LYS A 104 9.736 -8.153 -0.274 1.00 0.00 C ATOM 1663 CD LYS A 104 10.122 -9.409 -1.066 1.00 0.00 C ATOM 1664 CE LYS A 104 11.649 -9.471 -1.188 1.00 0.00 C ATOM 1665 NZ LYS A 104 12.096 -10.629 -2.005 1.00 0.00 N ATOM 0 H LYS A 104 7.313 -6.070 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 104 7.313 -8.986 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.133 -7.318 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.136 -9.069 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.889 -7.275 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.402 -8.053 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.748 -10.301 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.666 -9.385 -2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.014 -8.548 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.090 -9.538 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.134 -10.633 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.770 -11.512 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.697 -10.553 -2.962 1.00 0.00 H new ATOM 1679 N ILE A 105 5.148 -9.387 -0.280 1.00 0.00 N ATOM 1680 CA ILE A 105 3.837 -9.650 0.345 1.00 0.00 C ATOM 1681 C ILE A 105 4.019 -10.626 1.517 1.00 0.00 C ATOM 1682 O ILE A 105 4.604 -11.698 1.353 1.00 0.00 O ATOM 1683 CB ILE A 105 2.828 -10.166 -0.712 1.00 0.00 C ATOM 1684 CG1 ILE A 105 2.542 -9.053 -1.751 1.00 0.00 C ATOM 1685 CG2 ILE A 105 1.527 -10.627 -0.033 1.00 0.00 C ATOM 1686 CD1 ILE A 105 1.578 -9.464 -2.873 1.00 0.00 C ATOM 0 H ILE A 105 5.521 -10.194 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 105 3.421 -8.726 0.746 1.00 0.00 H new ATOM 0 HB ILE A 105 3.260 -11.023 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.129 -8.187 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.486 -8.738 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.829 -10.986 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.748 -11.432 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.081 -9.790 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.434 -8.626 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.996 -10.309 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.618 -9.750 -2.442 1.00 0.00 H new