USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 661 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 64 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.984 K(o=-0.98,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.53) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-3.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 40 THR OG1 : rot -16:sc= 0.303 USER MOD Single : A 41 THR OG1 : rot 10:sc= -0.844 USER MOD Single : A 43 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.3!) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.596 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 132:sc= -0.0873 (180deg=-0.526) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.15) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -129:sc= 0 (180deg=-2.01!) USER MOD Single : A 94 SER OG : rot 93:sc= 0.635 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 99 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.89 K(o=-1.9,f=-5.9!) USER MOD Single : A 104 LYS NZ :NH3+ -163:sc= -0.0102 (180deg=-0.133) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.257 -5.475 8.758 1.00 0.00 N ATOM 326 CA ASN A 24 -4.462 -4.437 8.112 1.00 0.00 C ATOM 327 C ASN A 24 -3.551 -5.036 7.045 1.00 0.00 C ATOM 328 O ASN A 24 -2.837 -6.008 7.297 1.00 0.00 O ATOM 329 CB ASN A 24 -3.626 -3.686 9.150 1.00 0.00 C ATOM 330 CG ASN A 24 -2.462 -4.513 9.662 1.00 0.00 C ATOM 331 OD1 ASN A 24 -1.369 -4.486 9.096 1.00 0.00 O ATOM 332 ND2 ASN A 24 -2.692 -5.253 10.741 1.00 0.00 N ATOM 0 HA ASN A 24 -5.145 -3.737 7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.247 -2.764 8.709 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.262 -3.401 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.947 -5.829 11.133 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.614 -5.245 11.178 1.00 0.00 H new ATOM 339 N TYR A 25 -3.579 -4.448 5.853 1.00 0.00 N ATOM 340 CA TYR A 25 -2.757 -4.925 4.748 1.00 0.00 C ATOM 341 C TYR A 25 -1.508 -4.064 4.587 1.00 0.00 C ATOM 342 O TYR A 25 -0.511 -4.500 4.010 1.00 0.00 O ATOM 343 CB TYR A 25 -3.563 -4.922 3.447 1.00 0.00 C ATOM 344 CG TYR A 25 -3.953 -6.303 2.973 1.00 0.00 C ATOM 345 CD1 TYR A 25 -4.397 -7.267 3.869 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.875 -6.644 1.628 1.00 0.00 C ATOM 347 CE1 TYR A 25 -4.754 -8.531 3.439 1.00 0.00 C ATOM 348 CE2 TYR A 25 -4.232 -7.905 1.189 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.670 -8.845 2.098 1.00 0.00 C ATOM 350 OH TYR A 25 -5.025 -10.102 1.666 1.00 0.00 O ATOM 0 H TYR A 25 -4.162 -3.641 5.628 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.447 -5.945 4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.466 -4.328 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.979 -4.431 2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.464 -7.025 4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.530 -5.911 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.097 -9.269 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.168 -8.153 0.140 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.909 -10.159 0.695 1.00 0.00 H new ATOM 360 N ILE A 26 -1.570 -2.841 5.101 1.00 0.00 N ATOM 361 CA ILE A 26 -0.445 -1.919 5.018 1.00 0.00 C ATOM 362 C ILE A 26 -0.433 -0.957 6.200 1.00 0.00 C ATOM 363 O ILE A 26 -1.400 -0.234 6.436 1.00 0.00 O ATOM 364 CB ILE A 26 -0.479 -1.106 3.709 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.900 -0.613 3.428 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.036 -1.946 2.550 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.967 0.462 2.366 1.00 0.00 C ATOM 0 H ILE A 26 -2.388 -2.465 5.580 1.00 0.00 H new ATOM 0 HA ILE A 26 0.461 -2.525 5.037 1.00 0.00 H new ATOM 0 HB ILE A 26 0.172 -0.238 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.514 -1.458 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.332 -0.227 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.006 -1.358 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.063 -2.253 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.591 -2.830 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.004 0.764 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.380 1.324 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.566 0.074 1.430 1.00 0.00 H new ATOM 379 N HIS A 27 0.672 -0.954 6.941 1.00 0.00 N ATOM 380 CA HIS A 27 0.811 -0.077 8.100 1.00 0.00 C ATOM 381 C HIS A 27 1.575 1.191 7.733 1.00 0.00 C ATOM 382 O HIS A 27 2.631 1.131 7.101 1.00 0.00 O ATOM 383 CB HIS A 27 1.529 -0.808 9.235 1.00 0.00 C ATOM 384 CG HIS A 27 1.714 0.027 10.463 1.00 0.00 C ATOM 385 ND1 HIS A 27 1.006 -0.178 11.627 1.00 0.00 N ATOM 386 CD2 HIS A 27 2.537 1.076 10.706 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.381 0.708 12.533 1.00 0.00 C ATOM 388 NE2 HIS A 27 2.310 1.480 11.998 1.00 0.00 N ATOM 0 H HIS A 27 1.482 -1.547 6.760 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.188 0.205 8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.963 -1.702 9.496 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.505 -1.141 8.882 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.301 -0.902 11.768 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.240 1.513 10.012 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.994 0.787 13.538 1.00 0.00 H new ATOM 396 N ILE A 28 1.034 2.338 8.130 1.00 0.00 N ATOM 397 CA ILE A 28 1.665 3.620 7.844 1.00 0.00 C ATOM 398 C ILE A 28 1.712 4.501 9.088 1.00 0.00 C ATOM 399 O ILE A 28 0.688 5.030 9.523 1.00 0.00 O ATOM 400 CB ILE A 28 0.925 4.372 6.723 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.251 3.382 5.771 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.889 5.272 5.963 1.00 0.00 C ATOM 403 CD1 ILE A 28 1.229 2.518 5.007 1.00 0.00 C ATOM 0 H ILE A 28 0.160 2.405 8.651 1.00 0.00 H new ATOM 0 HA ILE A 28 2.682 3.405 7.517 1.00 0.00 H new ATOM 0 HB ILE A 28 0.153 4.996 7.174 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.419 2.740 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.365 3.935 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.351 5.797 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.326 5.998 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.681 4.667 5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.681 1.841 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.884 3.151 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.828 1.938 5.709 1.00 0.00 H new ATOM 415 N ARG A 29 2.904 4.655 9.653 1.00 0.00 N ATOM 416 CA ARG A 29 3.083 5.473 10.847 1.00 0.00 C ATOM 417 C ARG A 29 3.992 6.663 10.559 1.00 0.00 C ATOM 418 O ARG A 29 5.208 6.515 10.442 1.00 0.00 O ATOM 419 CB ARG A 29 3.670 4.633 11.982 1.00 0.00 C ATOM 420 CG ARG A 29 4.028 5.444 13.217 1.00 0.00 C ATOM 421 CD ARG A 29 5.517 5.380 13.515 1.00 0.00 C ATOM 422 NE ARG A 29 5.866 6.105 14.733 1.00 0.00 N ATOM 423 CZ ARG A 29 5.689 5.615 15.955 1.00 0.00 C ATOM 424 NH1 ARG A 29 5.174 4.404 16.120 1.00 0.00 N ATOM 425 NH2 ARG A 29 6.029 6.337 17.016 1.00 0.00 N ATOM 0 H ARG A 29 3.760 4.225 9.304 1.00 0.00 H new ATOM 0 HA ARG A 29 2.106 5.849 11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.953 3.861 12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.563 4.123 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.730 6.482 13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.468 5.069 14.074 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.822 4.338 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.072 5.796 12.674 1.00 0.00 H new ATOM 0 HE ARG A 29 6.267 7.038 14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.913 3.846 15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.039 4.031 17.060 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.426 7.268 16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.893 5.960 17.954 1.00 0.00 H new ATOM 439 N ILE A 30 3.393 7.844 10.443 1.00 0.00 N ATOM 440 CA ILE A 30 4.148 9.060 10.169 1.00 0.00 C ATOM 441 C ILE A 30 4.548 9.763 11.462 1.00 0.00 C ATOM 442 O ILE A 30 3.916 9.576 12.502 1.00 0.00 O ATOM 443 CB ILE A 30 3.341 10.039 9.294 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.084 10.499 10.035 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.975 9.386 7.969 1.00 0.00 C ATOM 446 CD1 ILE A 30 2.153 11.934 10.510 1.00 0.00 C ATOM 0 H ILE A 30 2.387 7.984 10.535 1.00 0.00 H new ATOM 0 HA ILE A 30 5.046 8.758 9.630 1.00 0.00 H new ATOM 0 HB ILE A 30 3.958 10.913 9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.222 10.383 9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.920 9.848 10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.405 10.089 7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.885 9.103 7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.373 8.497 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.228 12.191 11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.995 12.051 11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.286 12.595 9.653 1.00 0.00 H new ATOM 583 N THR A 38 10.716 15.769 7.550 1.00 0.00 N ATOM 584 CA THR A 38 9.703 14.843 8.043 1.00 0.00 C ATOM 585 C THR A 38 10.111 13.397 7.788 1.00 0.00 C ATOM 586 O THR A 38 10.978 13.121 6.959 1.00 0.00 O ATOM 587 CB THR A 38 8.336 15.103 7.384 1.00 0.00 C ATOM 588 OG1 THR A 38 7.347 14.237 7.951 1.00 0.00 O ATOM 589 CG2 THR A 38 8.409 14.882 5.880 1.00 0.00 C ATOM 0 HA THR A 38 9.617 15.010 9.117 1.00 0.00 H new ATOM 0 HB THR A 38 8.059 16.141 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.480 14.409 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.432 15.072 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.142 15.563 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.706 13.853 5.677 1.00 0.00 H new ATOM 597 N LEU A 39 9.479 12.475 8.508 1.00 0.00 N ATOM 598 CA LEU A 39 9.777 11.054 8.360 1.00 0.00 C ATOM 599 C LEU A 39 8.496 10.225 8.388 1.00 0.00 C ATOM 600 O LEU A 39 7.446 10.698 8.823 1.00 0.00 O ATOM 601 CB LEU A 39 10.720 10.591 9.470 1.00 0.00 C ATOM 602 CG LEU A 39 12.042 9.971 9.013 1.00 0.00 C ATOM 603 CD1 LEU A 39 13.169 10.364 9.955 1.00 0.00 C ATOM 604 CD2 LEU A 39 11.919 8.457 8.927 1.00 0.00 C ATOM 0 H LEU A 39 8.759 12.686 9.199 1.00 0.00 H new ATOM 0 HA LEU A 39 10.263 10.909 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.944 11.445 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.194 9.862 10.086 1.00 0.00 H new ATOM 0 HG LEU A 39 12.277 10.353 8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.102 9.914 9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.272 11.449 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.942 10.011 10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.868 8.033 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.661 8.057 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.140 8.195 8.211 1.00 0.00 H new ATOM 616 N THR A 40 8.590 8.983 7.921 1.00 0.00 N ATOM 617 CA THR A 40 7.441 8.088 7.893 1.00 0.00 C ATOM 618 C THR A 40 7.881 6.630 7.837 1.00 0.00 C ATOM 619 O THR A 40 8.837 6.285 7.140 1.00 0.00 O ATOM 620 CB THR A 40 6.527 8.383 6.687 1.00 0.00 C ATOM 621 OG1 THR A 40 6.036 9.726 6.763 1.00 0.00 O ATOM 622 CG2 THR A 40 5.359 7.412 6.643 1.00 0.00 C ATOM 0 H THR A 40 9.451 8.575 7.557 1.00 0.00 H new ATOM 0 HA THR A 40 6.883 8.262 8.813 1.00 0.00 H new ATOM 0 HB THR A 40 7.113 8.262 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.166 10.071 7.671 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.728 7.640 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.736 6.393 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.774 7.505 7.558 1.00 0.00 H new ATOM 630 N THR A 41 7.178 5.775 8.575 1.00 0.00 N ATOM 631 CA THR A 41 7.497 4.353 8.608 1.00 0.00 C ATOM 632 C THR A 41 6.400 3.527 7.946 1.00 0.00 C ATOM 633 O THR A 41 5.233 3.916 7.944 1.00 0.00 O ATOM 634 CB THR A 41 7.697 3.857 10.053 1.00 0.00 C ATOM 635 OG1 THR A 41 6.728 4.462 10.917 1.00 0.00 O ATOM 636 CG2 THR A 41 9.097 4.182 10.549 1.00 0.00 C ATOM 0 H THR A 41 6.385 6.043 9.157 1.00 0.00 H new ATOM 0 HA THR A 41 8.427 4.224 8.055 1.00 0.00 H new ATOM 0 HB THR A 41 7.568 2.775 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.055 4.928 10.378 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.214 3.822 11.571 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.832 3.697 9.907 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.250 5.261 10.525 1.00 0.00 H new ATOM 644 N VAL A 42 6.784 2.385 7.384 1.00 0.00 N ATOM 645 CA VAL A 42 5.831 1.503 6.721 1.00 0.00 C ATOM 646 C VAL A 42 6.133 0.040 7.025 1.00 0.00 C ATOM 647 O VAL A 42 7.288 -0.338 7.218 1.00 0.00 O ATOM 648 CB VAL A 42 5.843 1.711 5.195 1.00 0.00 C ATOM 649 CG1 VAL A 42 7.202 1.348 4.616 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.741 0.896 4.538 1.00 0.00 C ATOM 0 H VAL A 42 7.747 2.049 7.375 1.00 0.00 H new ATOM 0 HA VAL A 42 4.844 1.755 7.108 1.00 0.00 H new ATOM 0 HB VAL A 42 5.657 2.765 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.191 1.502 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.969 1.980 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.422 0.302 4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.764 1.055 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.894 -0.162 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.774 1.209 4.930 1.00 0.00 H new ATOM 660 N GLN A 43 5.086 -0.778 7.066 1.00 0.00 N ATOM 661 CA GLN A 43 5.240 -2.200 7.347 1.00 0.00 C ATOM 662 C GLN A 43 4.236 -3.025 6.548 1.00 0.00 C ATOM 663 O GLN A 43 3.266 -2.490 6.013 1.00 0.00 O ATOM 664 CB GLN A 43 5.062 -2.469 8.844 1.00 0.00 C ATOM 665 CG GLN A 43 5.597 -3.820 9.287 1.00 0.00 C ATOM 666 CD GLN A 43 4.507 -4.866 9.414 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.372 -4.651 8.985 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.844 -6.005 10.006 1.00 0.00 N ATOM 0 H GLN A 43 4.123 -0.480 6.908 1.00 0.00 H new ATOM 0 HA GLN A 43 6.246 -2.496 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.567 -1.685 9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.002 -2.408 9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.343 -4.164 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.103 -3.709 10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.796 -6.141 10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.151 -6.745 10.120 1.00 0.00 H new ATOM 677 N GLY A 44 4.476 -4.331 6.473 1.00 0.00 N ATOM 678 CA GLY A 44 3.584 -5.208 5.738 1.00 0.00 C ATOM 679 C GLY A 44 4.162 -5.636 4.403 1.00 0.00 C ATOM 680 O GLY A 44 3.469 -6.234 3.581 1.00 0.00 O ATOM 0 H GLY A 44 5.272 -4.797 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.372 -6.092 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.634 -4.700 5.573 1.00 0.00 H new ATOM 684 N VAL A 45 5.438 -5.332 4.188 1.00 0.00 N ATOM 685 CA VAL A 45 6.111 -5.688 2.945 1.00 0.00 C ATOM 686 C VAL A 45 6.206 -7.202 2.787 1.00 0.00 C ATOM 687 O VAL A 45 6.580 -7.926 3.710 1.00 0.00 O ATOM 688 CB VAL A 45 7.527 -5.087 2.879 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.200 -5.448 1.563 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.473 -3.578 3.064 1.00 0.00 C ATOM 0 H VAL A 45 6.027 -4.839 4.860 1.00 0.00 H new ATOM 0 HA VAL A 45 5.512 -5.276 2.132 1.00 0.00 H new ATOM 0 HB VAL A 45 8.121 -5.509 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.200 -5.014 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.272 -6.532 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.611 -5.056 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.482 -3.169 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.864 -3.136 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.035 -3.346 4.035 1.00 0.00 H new ATOM 700 N PRO A 46 5.858 -7.695 1.588 1.00 0.00 N ATOM 701 CA PRO A 46 5.896 -9.128 1.281 1.00 0.00 C ATOM 702 C PRO A 46 7.321 -9.664 1.198 1.00 0.00 C ATOM 703 O PRO A 46 8.285 -8.929 1.411 1.00 0.00 O ATOM 704 CB PRO A 46 5.212 -9.214 -0.085 1.00 0.00 C ATOM 705 CG PRO A 46 5.416 -7.873 -0.698 1.00 0.00 C ATOM 706 CD PRO A 46 5.402 -6.891 0.442 1.00 0.00 C ATOM 0 HA PRO A 46 5.412 -9.725 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.652 -10.000 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.152 -9.445 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.362 -7.830 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.628 -7.648 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.065 -6.047 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.405 -6.482 0.609 1.00 0.00 H new ATOM 714 N GLU A 47 7.447 -10.951 0.887 1.00 0.00 N ATOM 715 CA GLU A 47 8.755 -11.586 0.777 1.00 0.00 C ATOM 716 C GLU A 47 9.416 -11.242 -0.555 1.00 0.00 C ATOM 717 O GLU A 47 10.640 -11.163 -0.649 1.00 0.00 O ATOM 718 CB GLU A 47 8.624 -13.103 0.919 1.00 0.00 C ATOM 719 CG GLU A 47 9.841 -13.764 1.542 1.00 0.00 C ATOM 720 CD GLU A 47 9.559 -14.320 2.925 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.940 -15.400 3.013 1.00 0.00 O ATOM 722 OE2 GLU A 47 9.957 -13.675 3.917 1.00 0.00 O ATOM 0 H GLU A 47 6.659 -11.574 0.707 1.00 0.00 H new ATOM 0 HA GLU A 47 9.384 -11.207 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.748 -13.328 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.449 -13.538 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.184 -14.570 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.652 -13.038 1.605 1.00 0.00 H new ATOM 729 N GLU A 48 8.596 -11.041 -1.581 1.00 0.00 N ATOM 730 CA GLU A 48 9.101 -10.707 -2.908 1.00 0.00 C ATOM 731 C GLU A 48 9.888 -9.401 -2.878 1.00 0.00 C ATOM 732 O GLU A 48 10.657 -9.107 -3.793 1.00 0.00 O ATOM 733 CB GLU A 48 7.945 -10.596 -3.904 1.00 0.00 C ATOM 734 CG GLU A 48 8.354 -10.864 -5.344 1.00 0.00 C ATOM 735 CD GLU A 48 7.184 -10.799 -6.304 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.222 -11.574 -6.123 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.229 -9.971 -7.240 1.00 0.00 O ATOM 0 H GLU A 48 7.580 -11.103 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 48 9.770 -11.507 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.163 -11.300 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.514 -9.597 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.107 -10.136 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.818 -11.848 -5.409 1.00 0.00 H new ATOM 744 N TYR A 49 9.691 -8.622 -1.820 1.00 0.00 N ATOM 745 CA TYR A 49 10.380 -7.346 -1.671 1.00 0.00 C ATOM 746 C TYR A 49 11.084 -7.261 -0.321 1.00 0.00 C ATOM 747 O TYR A 49 10.447 -7.059 0.713 1.00 0.00 O ATOM 748 CB TYR A 49 9.391 -6.189 -1.817 1.00 0.00 C ATOM 749 CG TYR A 49 9.940 -5.017 -2.599 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.473 -5.195 -3.869 1.00 0.00 C ATOM 751 CD2 TYR A 49 9.927 -3.734 -2.068 1.00 0.00 C ATOM 752 CE1 TYR A 49 10.978 -4.128 -4.588 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.427 -2.661 -2.781 1.00 0.00 C ATOM 754 CZ TYR A 49 10.952 -2.863 -4.040 1.00 0.00 C ATOM 755 OH TYR A 49 11.452 -1.797 -4.752 1.00 0.00 O ATOM 0 H TYR A 49 9.060 -8.852 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 49 11.132 -7.274 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.489 -6.553 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.096 -5.847 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.493 -6.184 -4.302 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.519 -3.572 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.391 -4.284 -5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.407 -1.669 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 49 11.149 -0.960 -4.343 1.00 0.00 H new ATOM 765 N ASP A 50 12.404 -7.417 -0.339 1.00 0.00 N ATOM 766 CA ASP A 50 13.197 -7.356 0.884 1.00 0.00 C ATOM 767 C ASP A 50 13.587 -5.918 1.208 1.00 0.00 C ATOM 768 O ASP A 50 13.230 -4.988 0.484 1.00 0.00 O ATOM 769 CB ASP A 50 14.452 -8.220 0.746 1.00 0.00 C ATOM 770 CG ASP A 50 14.537 -9.291 1.815 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.783 -10.281 1.724 1.00 0.00 O ATOM 772 OD2 ASP A 50 15.360 -9.139 2.744 1.00 0.00 O ATOM 0 H ASP A 50 12.947 -7.586 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 50 12.588 -7.741 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.459 -8.691 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.335 -7.584 0.802 1.00 0.00 H new ATOM 777 N LEU A 51 14.320 -5.741 2.302 1.00 0.00 N ATOM 778 CA LEU A 51 14.759 -4.416 2.724 1.00 0.00 C ATOM 779 C LEU A 51 15.830 -3.872 1.782 1.00 0.00 C ATOM 780 O LEU A 51 15.995 -2.659 1.646 1.00 0.00 O ATOM 781 CB LEU A 51 15.296 -4.466 4.154 1.00 0.00 C ATOM 782 CG LEU A 51 14.311 -4.075 5.256 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.909 -2.615 5.119 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.083 -4.974 5.216 1.00 0.00 C ATOM 0 H LEU A 51 14.623 -6.499 2.913 1.00 0.00 H new ATOM 0 HA LEU A 51 13.899 -3.747 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.649 -5.478 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.162 -3.808 4.219 1.00 0.00 H new ATOM 0 HG LEU A 51 14.802 -4.206 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.208 -2.355 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.795 -1.985 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.436 -2.457 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.392 -4.682 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.590 -4.874 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.386 -6.011 5.363 1.00 0.00 H new ATOM 796 N LYS A 52 16.556 -4.777 1.136 1.00 0.00 N ATOM 797 CA LYS A 52 17.610 -4.391 0.205 1.00 0.00 C ATOM 798 C LYS A 52 17.023 -3.984 -1.144 1.00 0.00 C ATOM 799 O LYS A 52 17.545 -3.094 -1.814 1.00 0.00 O ATOM 800 CB LYS A 52 18.599 -5.541 0.017 1.00 0.00 C ATOM 801 CG LYS A 52 19.913 -5.116 -0.616 1.00 0.00 C ATOM 802 CD LYS A 52 20.880 -4.567 0.421 1.00 0.00 C ATOM 803 CE LYS A 52 22.033 -5.526 0.671 1.00 0.00 C ATOM 804 NZ LYS A 52 23.055 -4.940 1.581 1.00 0.00 N ATOM 0 H LYS A 52 16.434 -5.784 1.240 1.00 0.00 H new ATOM 0 HA LYS A 52 18.136 -3.534 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.803 -5.996 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.137 -6.308 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.366 -5.968 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.723 -4.358 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.271 -3.607 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.348 -4.384 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.649 -6.450 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.500 -5.788 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.824 -5.625 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.440 -4.072 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.616 -4.714 2.496 1.00 0.00 H new ATOM 818 N ARG A 53 15.935 -4.640 -1.533 1.00 0.00 N ATOM 819 CA ARG A 53 15.278 -4.347 -2.800 1.00 0.00 C ATOM 820 C ARG A 53 14.508 -3.033 -2.721 1.00 0.00 C ATOM 821 O ARG A 53 14.432 -2.288 -3.698 1.00 0.00 O ATOM 822 CB ARG A 53 14.330 -5.484 -3.182 1.00 0.00 C ATOM 823 CG ARG A 53 13.960 -5.500 -4.657 1.00 0.00 C ATOM 824 CD ARG A 53 15.136 -5.921 -5.522 1.00 0.00 C ATOM 825 NE ARG A 53 14.805 -7.052 -6.385 1.00 0.00 N ATOM 826 CZ ARG A 53 15.714 -7.768 -7.038 1.00 0.00 C ATOM 827 NH1 ARG A 53 17.001 -7.472 -6.928 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.334 -8.783 -7.804 1.00 0.00 N ATOM 0 H ARG A 53 15.490 -5.378 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 53 16.047 -4.252 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.794 -6.435 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.419 -5.401 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.126 -6.184 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.621 -4.509 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.454 -5.078 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.978 -6.187 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 53 13.823 -7.306 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.297 -6.692 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.696 -8.024 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.344 -9.013 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.032 -9.333 -8.305 1.00 0.00 H new ATOM 842 N ILE A 54 13.940 -2.755 -1.554 1.00 0.00 N ATOM 843 CA ILE A 54 13.176 -1.531 -1.348 1.00 0.00 C ATOM 844 C ILE A 54 14.099 -0.343 -1.095 1.00 0.00 C ATOM 845 O ILE A 54 13.793 0.787 -1.477 1.00 0.00 O ATOM 846 CB ILE A 54 12.199 -1.668 -0.165 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.317 -0.422 -0.055 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.964 -1.898 1.131 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.860 -0.734 0.208 1.00 0.00 C ATOM 0 H ILE A 54 13.994 -3.361 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 54 12.606 -1.358 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 54 11.556 -2.530 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.695 0.211 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.396 0.152 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.260 -1.993 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.552 -2.812 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.629 -1.054 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.295 0.196 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.465 -1.342 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.769 -1.281 1.146 1.00 0.00 H new ATOM 861 N LEU A 55 15.229 -0.606 -0.451 1.00 0.00 N ATOM 862 CA LEU A 55 16.200 0.441 -0.148 1.00 0.00 C ATOM 863 C LEU A 55 17.008 0.808 -1.387 1.00 0.00 C ATOM 864 O LEU A 55 17.463 1.942 -1.533 1.00 0.00 O ATOM 865 CB LEU A 55 17.139 -0.015 0.971 1.00 0.00 C ATOM 866 CG LEU A 55 18.431 0.788 1.131 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.120 2.252 1.391 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.279 0.212 2.255 1.00 0.00 C ATOM 0 H LEU A 55 15.497 -1.536 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 55 15.654 1.325 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.593 0.021 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.402 -1.058 0.795 1.00 0.00 H new ATOM 0 HG LEU A 55 18.998 0.719 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.051 2.808 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.553 2.658 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.532 2.342 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.195 0.795 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.719 0.251 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.531 -0.823 2.026 1.00 0.00 H new ATOM 880 N LYS A 56 17.182 -0.159 -2.283 1.00 0.00 N ATOM 881 CA LYS A 56 17.933 0.061 -3.513 1.00 0.00 C ATOM 882 C LYS A 56 17.070 0.763 -4.558 1.00 0.00 C ATOM 883 O LYS A 56 17.550 1.624 -5.295 1.00 0.00 O ATOM 884 CB LYS A 56 18.446 -1.269 -4.069 1.00 0.00 C ATOM 885 CG LYS A 56 19.438 -1.111 -5.207 1.00 0.00 C ATOM 886 CD LYS A 56 19.872 -2.458 -5.760 1.00 0.00 C ATOM 887 CE LYS A 56 21.049 -2.318 -6.712 1.00 0.00 C ATOM 888 NZ LYS A 56 22.247 -1.747 -6.034 1.00 0.00 N ATOM 0 H LYS A 56 16.812 -1.104 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 56 18.784 0.701 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.917 -1.832 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.598 -1.859 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 56 18.988 -0.518 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.312 -0.562 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.145 -3.119 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.036 -2.925 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.298 -3.294 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.766 -1.679 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.083 -2.322 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.398 -0.771 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.098 -1.750 -5.005 1.00 0.00 H new ATOM 902 N VAL A 57 15.797 0.389 -4.614 1.00 0.00 N ATOM 903 CA VAL A 57 14.867 0.983 -5.568 1.00 0.00 C ATOM 904 C VAL A 57 14.445 2.379 -5.126 1.00 0.00 C ATOM 905 O VAL A 57 14.312 3.289 -5.945 1.00 0.00 O ATOM 906 CB VAL A 57 13.610 0.111 -5.744 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.581 0.825 -6.609 1.00 0.00 C ATOM 908 CG2 VAL A 57 13.978 -1.237 -6.343 1.00 0.00 C ATOM 0 H VAL A 57 15.385 -0.323 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 57 15.391 1.049 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 57 13.168 -0.061 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.700 0.194 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.296 1.764 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.009 1.029 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.078 -1.841 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.444 -1.087 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.676 -1.751 -5.682 1.00 0.00 H new ATOM 918 N LEU A 58 14.236 2.545 -3.823 1.00 0.00 N ATOM 919 CA LEU A 58 13.830 3.831 -3.270 1.00 0.00 C ATOM 920 C LEU A 58 14.978 4.834 -3.323 1.00 0.00 C ATOM 921 O LEU A 58 14.786 5.997 -3.680 1.00 0.00 O ATOM 922 CB LEU A 58 13.353 3.660 -1.827 1.00 0.00 C ATOM 923 CG LEU A 58 11.975 3.024 -1.646 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.686 2.787 -0.173 1.00 0.00 C ATOM 925 CD2 LEU A 58 10.897 3.898 -2.269 1.00 0.00 C ATOM 0 H LEU A 58 14.342 1.803 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 58 13.009 4.215 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.084 3.053 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.344 4.640 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 58 11.972 2.060 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.701 2.334 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.441 2.119 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.709 3.738 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.923 3.429 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.900 4.877 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.095 4.015 -3.334 1.00 0.00 H new ATOM 937 N LYS A 59 16.174 4.376 -2.968 1.00 0.00 N ATOM 938 CA LYS A 59 17.356 5.230 -2.978 1.00 0.00 C ATOM 939 C LYS A 59 17.762 5.578 -4.407 1.00 0.00 C ATOM 940 O LYS A 59 18.256 6.676 -4.672 1.00 0.00 O ATOM 941 CB LYS A 59 18.516 4.538 -2.260 1.00 0.00 C ATOM 942 CG LYS A 59 19.758 5.405 -2.137 1.00 0.00 C ATOM 943 CD LYS A 59 20.385 5.286 -0.758 1.00 0.00 C ATOM 944 CE LYS A 59 21.741 5.973 -0.702 1.00 0.00 C ATOM 945 NZ LYS A 59 22.349 5.890 0.655 1.00 0.00 N ATOM 0 H LYS A 59 16.350 3.417 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 59 17.112 6.154 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.190 4.241 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.772 3.625 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.484 5.112 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.498 6.445 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.721 5.728 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.498 4.234 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.411 5.514 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.630 7.019 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.272 6.370 0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.722 6.350 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.479 4.892 0.917 1.00 0.00 H new ATOM 959 N LYS A 60 17.550 4.642 -5.323 1.00 0.00 N ATOM 960 CA LYS A 60 17.891 4.850 -6.725 1.00 0.00 C ATOM 961 C LYS A 60 16.806 5.654 -7.436 1.00 0.00 C ATOM 962 O LYS A 60 17.083 6.373 -8.396 1.00 0.00 O ATOM 963 CB LYS A 60 18.088 3.506 -7.430 1.00 0.00 C ATOM 964 CG LYS A 60 18.508 3.637 -8.883 1.00 0.00 C ATOM 965 CD LYS A 60 19.055 2.327 -9.425 1.00 0.00 C ATOM 966 CE LYS A 60 20.526 2.447 -9.793 1.00 0.00 C ATOM 967 NZ LYS A 60 21.141 1.119 -10.065 1.00 0.00 N ATOM 0 H LYS A 60 17.143 3.729 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 60 18.823 5.414 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.842 2.931 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.159 2.939 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.654 3.952 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.266 4.415 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 60 18.928 1.542 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.482 2.028 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 20.629 3.082 -10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.064 2.937 -8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 22.143 1.245 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.066 0.521 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.644 0.662 -10.856 1.00 0.00 H new ATOM 981 N ASP A 61 15.574 5.527 -6.956 1.00 0.00 N ATOM 982 CA ASP A 61 14.447 6.244 -7.545 1.00 0.00 C ATOM 983 C ASP A 61 14.547 7.740 -7.261 1.00 0.00 C ATOM 984 O ASP A 61 14.741 8.544 -8.173 1.00 0.00 O ATOM 985 CB ASP A 61 13.127 5.696 -7.002 1.00 0.00 C ATOM 986 CG ASP A 61 11.925 6.451 -7.533 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.013 6.996 -8.654 1.00 0.00 O ATOM 988 OD2 ASP A 61 10.894 6.496 -6.829 1.00 0.00 O ATOM 0 H ASP A 61 15.330 4.935 -6.162 1.00 0.00 H new ATOM 0 HA ASP A 61 14.477 6.095 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.037 4.643 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.135 5.750 -5.913 1.00 0.00 H new ATOM 993 N PHE A 62 14.412 8.106 -5.991 1.00 0.00 N ATOM 994 CA PHE A 62 14.486 9.505 -5.587 1.00 0.00 C ATOM 995 C PHE A 62 15.246 9.654 -4.273 1.00 0.00 C ATOM 996 O PHE A 62 14.918 10.502 -3.446 1.00 0.00 O ATOM 997 CB PHE A 62 13.079 10.091 -5.443 1.00 0.00 C ATOM 998 CG PHE A 62 12.364 10.263 -6.754 1.00 0.00 C ATOM 999 CD1 PHE A 62 12.800 11.201 -7.677 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.259 9.487 -7.062 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.145 11.361 -8.884 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.601 9.644 -8.266 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.044 10.582 -9.179 1.00 0.00 C ATOM 0 H PHE A 62 14.251 7.453 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 62 15.024 10.052 -6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.488 9.441 -4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.146 11.058 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.660 11.813 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.908 8.751 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.494 12.095 -9.595 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.740 9.033 -8.494 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.530 10.705 -10.121 1.00 0.00 H new ATOM 1013 N ALA A 63 16.265 8.820 -4.088 1.00 0.00 N ATOM 1014 CA ALA A 63 17.074 8.858 -2.877 1.00 0.00 C ATOM 1015 C ALA A 63 16.197 8.818 -1.629 1.00 0.00 C ATOM 1016 O ALA A 63 16.238 9.727 -0.802 1.00 0.00 O ATOM 1017 CB ALA A 63 17.951 10.100 -2.867 1.00 0.00 C ATOM 0 H ALA A 63 16.549 8.110 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 63 17.713 7.975 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.550 10.115 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.610 10.087 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.322 10.990 -2.903 1.00 0.00 H new ATOM 1023 N CYS A 64 15.405 7.759 -1.504 1.00 0.00 N ATOM 1024 CA CYS A 64 14.516 7.602 -0.359 1.00 0.00 C ATOM 1025 C CYS A 64 15.078 6.585 0.631 1.00 0.00 C ATOM 1026 O CYS A 64 14.863 5.383 0.489 1.00 0.00 O ATOM 1027 CB CYS A 64 13.126 7.166 -0.821 1.00 0.00 C ATOM 1028 SG CYS A 64 11.971 8.533 -1.081 1.00 0.00 S ATOM 0 H CYS A 64 15.360 6.997 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 64 14.438 8.566 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.223 6.605 -1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.706 6.485 -0.081 1.00 0.00 H new ATOM 0 HG CYS A 64 10.824 8.063 -1.473 1.00 0.00 H new ATOM 1034 N ASN A 65 15.803 7.078 1.631 1.00 0.00 N ATOM 1035 CA ASN A 65 16.398 6.212 2.642 1.00 0.00 C ATOM 1036 C ASN A 65 15.355 5.267 3.231 1.00 0.00 C ATOM 1037 O ASN A 65 14.425 5.697 3.911 1.00 0.00 O ATOM 1038 CB ASN A 65 17.028 7.052 3.754 1.00 0.00 C ATOM 1039 CG ASN A 65 18.487 7.365 3.488 1.00 0.00 C ATOM 1040 OD1 ASN A 65 18.846 8.505 3.192 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.338 6.350 3.591 1.00 0.00 N ATOM 0 H ASN A 65 15.992 8.072 1.762 1.00 0.00 H new ATOM 0 HA ASN A 65 17.174 5.614 2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.473 7.984 3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.941 6.520 4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.333 6.499 3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.997 5.421 3.839 1.00 0.00 H new ATOM 1048 N GLY A 66 15.519 3.974 2.964 1.00 0.00 N ATOM 1049 CA GLY A 66 14.587 2.987 3.475 1.00 0.00 C ATOM 1050 C GLY A 66 15.247 1.994 4.411 1.00 0.00 C ATOM 1051 O GLY A 66 15.523 0.858 4.026 1.00 0.00 O ATOM 0 H GLY A 66 16.281 3.593 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.778 3.494 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.137 2.450 2.640 1.00 0.00 H new ATOM 1055 N ASN A 67 15.504 2.423 5.642 1.00 0.00 N ATOM 1056 CA ASN A 67 16.138 1.563 6.635 1.00 0.00 C ATOM 1057 C ASN A 67 15.110 0.661 7.310 1.00 0.00 C ATOM 1058 O ASN A 67 13.911 0.767 7.050 1.00 0.00 O ATOM 1059 CB ASN A 67 16.859 2.409 7.686 1.00 0.00 C ATOM 1060 CG ASN A 67 17.510 3.643 7.088 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.168 3.569 6.049 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.333 4.782 7.745 1.00 0.00 N ATOM 0 H ASN A 67 15.283 3.361 5.976 1.00 0.00 H new ATOM 0 HA ASN A 67 16.866 0.934 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.148 2.713 8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.620 1.802 8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.750 5.644 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.780 4.796 8.602 1.00 0.00 H new ATOM 1069 N ILE A 68 15.588 -0.225 8.177 1.00 0.00 N ATOM 1070 CA ILE A 68 14.711 -1.144 8.890 1.00 0.00 C ATOM 1071 C ILE A 68 14.858 -0.985 10.400 1.00 0.00 C ATOM 1072 O ILE A 68 15.929 -0.638 10.896 1.00 0.00 O ATOM 1073 CB ILE A 68 15.000 -2.608 8.510 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.833 -3.507 8.926 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.294 -3.079 9.157 1.00 0.00 C ATOM 1076 CD1 ILE A 68 14.041 -4.964 8.584 1.00 0.00 C ATOM 0 H ILE A 68 16.578 -0.326 8.402 1.00 0.00 H new ATOM 0 HA ILE A 68 13.691 -0.896 8.598 1.00 0.00 H new ATOM 0 HB ILE A 68 15.114 -2.670 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.678 -3.413 10.001 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.923 -3.155 8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.484 -4.116 8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 68 17.120 -2.455 8.816 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.207 -3.005 10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.175 -5.541 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.166 -5.071 7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.933 -5.333 9.091 1.00 0.00 H new ATOM 1088 N VAL A 69 13.773 -1.243 11.125 1.00 0.00 N ATOM 1089 CA VAL A 69 13.783 -1.130 12.580 1.00 0.00 C ATOM 1090 C VAL A 69 12.954 -2.238 13.221 1.00 0.00 C ATOM 1091 O VAL A 69 12.214 -2.949 12.540 1.00 0.00 O ATOM 1092 CB VAL A 69 13.241 0.235 13.041 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.845 0.627 14.380 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.517 1.300 11.989 1.00 0.00 C ATOM 0 H VAL A 69 12.878 -1.531 10.730 1.00 0.00 H new ATOM 0 HA VAL A 69 14.821 -1.225 12.899 1.00 0.00 H new ATOM 0 HB VAL A 69 12.162 0.153 13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.449 1.595 14.688 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.591 -0.124 15.128 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.929 0.692 14.285 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.127 2.259 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.592 1.382 11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 69 13.030 1.023 11.054 1.00 0.00 H new ATOM 1104 N LYS A 70 13.081 -2.378 14.536 1.00 0.00 N ATOM 1105 CA LYS A 70 12.343 -3.397 15.272 1.00 0.00 C ATOM 1106 C LYS A 70 11.552 -2.774 16.418 1.00 0.00 C ATOM 1107 O LYS A 70 12.130 -2.289 17.390 1.00 0.00 O ATOM 1108 CB LYS A 70 13.301 -4.458 15.815 1.00 0.00 C ATOM 1109 CG LYS A 70 12.606 -5.572 16.579 1.00 0.00 C ATOM 1110 CD LYS A 70 13.477 -6.105 17.705 1.00 0.00 C ATOM 1111 CE LYS A 70 14.527 -7.075 17.186 1.00 0.00 C ATOM 1112 NZ LYS A 70 15.241 -7.765 18.295 1.00 0.00 N ATOM 0 H LYS A 70 13.689 -1.798 15.114 1.00 0.00 H new ATOM 0 HA LYS A 70 11.641 -3.870 14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.858 -4.891 14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.028 -3.978 16.470 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.666 -5.202 16.989 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.358 -6.383 15.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.967 -5.274 18.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.852 -6.605 18.444 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.051 -7.816 16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.247 -6.536 16.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.948 -8.417 17.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.717 -7.060 18.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.558 -8.301 18.868 1.00 0.00 H new ATOM 1126 N ASP A 71 10.229 -2.794 16.298 1.00 0.00 N ATOM 1127 CA ASP A 71 9.360 -2.233 17.326 1.00 0.00 C ATOM 1128 C ASP A 71 8.804 -3.333 18.227 1.00 0.00 C ATOM 1129 O ASP A 71 8.774 -4.508 17.864 1.00 0.00 O ATOM 1130 CB ASP A 71 8.210 -1.454 16.684 1.00 0.00 C ATOM 1131 CG ASP A 71 8.483 0.037 16.626 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.631 0.418 16.313 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.550 0.821 16.892 1.00 0.00 O ATOM 0 H ASP A 71 9.735 -3.192 15.499 1.00 0.00 H new ATOM 0 HA ASP A 71 9.954 -1.552 17.936 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.040 -1.829 15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.295 -1.631 17.249 1.00 0.00 H new ATOM 1138 N PRO A 72 8.355 -2.942 19.429 1.00 0.00 N ATOM 1139 CA PRO A 72 7.793 -3.879 20.406 1.00 0.00 C ATOM 1140 C PRO A 72 6.439 -4.429 19.970 1.00 0.00 C ATOM 1141 O PRO A 72 5.891 -5.327 20.607 1.00 0.00 O ATOM 1142 CB PRO A 72 7.643 -3.027 21.668 1.00 0.00 C ATOM 1143 CG PRO A 72 7.518 -1.629 21.169 1.00 0.00 C ATOM 1144 CD PRO A 72 8.361 -1.557 19.926 1.00 0.00 C ATOM 0 HA PRO A 72 8.426 -4.756 20.540 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.765 -3.322 22.243 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.506 -3.137 22.325 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.479 -1.384 20.951 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.863 -0.915 21.917 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.941 -0.866 19.195 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.372 -1.213 20.145 1.00 0.00 H new ATOM 1152 N GLU A 73 5.907 -3.883 18.880 1.00 0.00 N ATOM 1153 CA GLU A 73 4.618 -4.321 18.359 1.00 0.00 C ATOM 1154 C GLU A 73 4.790 -5.477 17.376 1.00 0.00 C ATOM 1155 O GLU A 73 3.930 -6.351 17.274 1.00 0.00 O ATOM 1156 CB GLU A 73 3.898 -3.158 17.674 1.00 0.00 C ATOM 1157 CG GLU A 73 2.390 -3.334 17.600 1.00 0.00 C ATOM 1158 CD GLU A 73 1.668 -2.039 17.283 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.858 -1.512 16.166 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.912 -1.551 18.150 1.00 0.00 O ATOM 0 H GLU A 73 6.349 -3.138 18.342 1.00 0.00 H new ATOM 0 HA GLU A 73 4.016 -4.668 19.199 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.122 -2.236 18.211 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.292 -3.042 16.664 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.151 -4.075 16.837 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.026 -3.726 18.550 1.00 0.00 H new ATOM 1167 N MET A 74 5.907 -5.471 16.657 1.00 0.00 N ATOM 1168 CA MET A 74 6.193 -6.518 15.683 1.00 0.00 C ATOM 1169 C MET A 74 7.695 -6.765 15.575 1.00 0.00 C ATOM 1170 O MET A 74 8.184 -7.836 15.932 1.00 0.00 O ATOM 1171 CB MET A 74 5.627 -6.139 14.313 1.00 0.00 C ATOM 1172 CG MET A 74 5.036 -7.315 13.553 1.00 0.00 C ATOM 1173 SD MET A 74 6.296 -8.356 12.793 1.00 0.00 S ATOM 1174 CE MET A 74 6.222 -9.802 13.848 1.00 0.00 C ATOM 0 H MET A 74 6.628 -4.754 16.730 1.00 0.00 H new ATOM 0 HA MET A 74 5.715 -7.436 16.024 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.857 -5.378 14.445 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.419 -5.690 13.713 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.435 -7.918 14.234 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.364 -6.942 12.780 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.947 -10.540 13.505 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.454 -9.516 14.874 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.221 -10.231 13.808 1.00 0.00 H new ATOM 1184 N GLY A 75 8.420 -5.767 15.081 1.00 0.00 N ATOM 1185 CA GLY A 75 9.858 -5.897 14.934 1.00 0.00 C ATOM 1186 C GLY A 75 10.298 -5.878 13.483 1.00 0.00 C ATOM 1187 O GLY A 75 11.265 -6.543 13.113 1.00 0.00 O ATOM 0 H GLY A 75 8.038 -4.871 14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.350 -5.085 15.470 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.185 -6.828 15.397 1.00 0.00 H new ATOM 1191 N GLU A 76 9.584 -5.115 12.661 1.00 0.00 N ATOM 1192 CA GLU A 76 9.906 -5.015 11.241 1.00 0.00 C ATOM 1193 C GLU A 76 9.415 -3.691 10.664 1.00 0.00 C ATOM 1194 O GLU A 76 8.909 -3.641 9.542 1.00 0.00 O ATOM 1195 CB GLU A 76 9.283 -6.182 10.472 1.00 0.00 C ATOM 1196 CG GLU A 76 10.244 -6.855 9.506 1.00 0.00 C ATOM 1197 CD GLU A 76 9.529 -7.564 8.372 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.938 -6.872 7.518 1.00 0.00 O ATOM 1199 OE2 GLU A 76 9.562 -8.813 8.341 1.00 0.00 O ATOM 0 H GLU A 76 8.781 -4.558 12.952 1.00 0.00 H new ATOM 0 HA GLU A 76 10.990 -5.057 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.919 -6.922 11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.417 -5.820 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.921 -6.107 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.857 -7.574 10.050 1.00 0.00 H new ATOM 1206 N ILE A 77 9.567 -2.622 11.439 1.00 0.00 N ATOM 1207 CA ILE A 77 9.138 -1.298 11.006 1.00 0.00 C ATOM 1208 C ILE A 77 10.142 -0.688 10.032 1.00 0.00 C ATOM 1209 O ILE A 77 11.205 -0.216 10.437 1.00 0.00 O ATOM 1210 CB ILE A 77 8.956 -0.345 12.202 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.922 -0.910 13.179 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.538 1.037 11.719 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.563 -1.136 12.555 1.00 0.00 C ATOM 0 H ILE A 77 9.984 -2.647 12.370 1.00 0.00 H new ATOM 0 HA ILE A 77 8.178 -1.425 10.505 1.00 0.00 H new ATOM 0 HB ILE A 77 9.909 -0.253 12.724 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.291 -1.854 13.580 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.817 -0.226 14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.413 1.699 12.576 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.306 1.439 11.058 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.595 0.963 11.177 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.881 -1.537 13.304 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.173 -0.190 12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.654 -1.844 11.731 1.00 0.00 H new ATOM 1225 N ILE A 78 9.795 -0.699 8.749 1.00 0.00 N ATOM 1226 CA ILE A 78 10.665 -0.145 7.718 1.00 0.00 C ATOM 1227 C ILE A 78 10.671 1.380 7.767 1.00 0.00 C ATOM 1228 O ILE A 78 9.715 2.025 7.338 1.00 0.00 O ATOM 1229 CB ILE A 78 10.234 -0.602 6.313 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.086 -2.124 6.271 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.240 -0.134 5.273 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.668 -2.586 6.014 1.00 0.00 C ATOM 0 H ILE A 78 8.918 -1.085 8.399 1.00 0.00 H new ATOM 0 HA ILE A 78 11.670 -0.517 7.918 1.00 0.00 H new ATOM 0 HB ILE A 78 9.267 -0.155 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.736 -2.523 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.429 -2.541 7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.922 -0.465 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.301 0.954 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.219 -0.556 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.638 -3.675 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.016 -2.217 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.328 -2.199 5.054 1.00 0.00 H new ATOM 1244 N GLN A 79 11.752 1.945 8.290 1.00 0.00 N ATOM 1245 CA GLN A 79 11.882 3.395 8.392 1.00 0.00 C ATOM 1246 C GLN A 79 12.156 4.014 7.026 1.00 0.00 C ATOM 1247 O GLN A 79 13.118 3.648 6.349 1.00 0.00 O ATOM 1248 CB GLN A 79 13.004 3.759 9.366 1.00 0.00 C ATOM 1249 CG GLN A 79 13.174 5.258 9.564 1.00 0.00 C ATOM 1250 CD GLN A 79 13.426 5.630 11.012 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.572 5.682 11.461 1.00 0.00 O ATOM 1252 NE2 GLN A 79 12.356 5.892 11.751 1.00 0.00 N ATOM 0 H GLN A 79 12.551 1.423 8.650 1.00 0.00 H new ATOM 0 HA GLN A 79 10.940 3.795 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.802 3.294 10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.942 3.340 9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.005 5.610 8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.279 5.771 9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.425 5.837 11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.464 6.149 12.732 1.00 0.00 H new ATOM 1261 N LEU A 80 11.307 4.954 6.628 1.00 0.00 N ATOM 1262 CA LEU A 80 11.457 5.625 5.341 1.00 0.00 C ATOM 1263 C LEU A 80 11.536 7.138 5.521 1.00 0.00 C ATOM 1264 O LEU A 80 10.553 7.780 5.891 1.00 0.00 O ATOM 1265 CB LEU A 80 10.289 5.271 4.418 1.00 0.00 C ATOM 1266 CG LEU A 80 10.190 6.076 3.123 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.296 5.159 1.914 1.00 0.00 C ATOM 1268 CD2 LEU A 80 8.888 6.864 3.083 1.00 0.00 C ATOM 0 H LEU A 80 10.507 5.269 7.177 1.00 0.00 H new ATOM 0 HA LEU A 80 12.387 5.282 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.363 4.214 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.360 5.400 4.974 1.00 0.00 H new ATOM 0 HG LEU A 80 11.021 6.781 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.223 5.750 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.254 4.639 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.487 4.429 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.834 7.431 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.044 6.176 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.852 7.550 3.929 1.00 0.00 H new ATOM 1280 N GLN A 81 12.712 7.700 5.257 1.00 0.00 N ATOM 1281 CA GLN A 81 12.917 9.136 5.390 1.00 0.00 C ATOM 1282 C GLN A 81 12.909 9.816 4.025 1.00 0.00 C ATOM 1283 O GLN A 81 13.635 9.417 3.118 1.00 0.00 O ATOM 1284 CB GLN A 81 14.240 9.421 6.104 1.00 0.00 C ATOM 1285 CG GLN A 81 14.612 10.894 6.135 1.00 0.00 C ATOM 1286 CD GLN A 81 15.864 11.164 6.945 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.791 11.568 8.107 1.00 0.00 O ATOM 1288 NE2 GLN A 81 17.023 10.942 6.336 1.00 0.00 N ATOM 0 H GLN A 81 13.536 7.182 4.950 1.00 0.00 H new ATOM 0 HA GLN A 81 12.097 9.540 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.178 9.049 7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.037 8.864 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.761 11.249 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.783 11.465 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 81 17.037 10.607 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 81 17.899 11.106 6.832 1.00 0.00 H new ATOM 1297 N GLY A 82 12.078 10.847 3.887 1.00 0.00 N ATOM 1298 CA GLY A 82 11.988 11.564 2.629 1.00 0.00 C ATOM 1299 C GLY A 82 10.701 12.354 2.502 1.00 0.00 C ATOM 1300 O GLY A 82 9.754 12.134 3.258 1.00 0.00 O ATOM 0 H GLY A 82 11.466 11.197 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.837 12.242 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.058 10.855 1.804 1.00 0.00 H new ATOM 1304 N ASP A 83 10.666 13.275 1.546 1.00 0.00 N ATOM 1305 CA ASP A 83 9.485 14.101 1.322 1.00 0.00 C ATOM 1306 C ASP A 83 8.621 13.524 0.206 1.00 0.00 C ATOM 1307 O ASP A 83 7.937 14.259 -0.506 1.00 0.00 O ATOM 1308 CB ASP A 83 9.896 15.534 0.977 1.00 0.00 C ATOM 1309 CG ASP A 83 11.011 15.584 -0.047 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.742 15.298 -1.232 1.00 0.00 O ATOM 1311 OD2 ASP A 83 12.154 15.913 0.335 1.00 0.00 O ATOM 0 H ASP A 83 11.442 13.469 0.913 1.00 0.00 H new ATOM 0 HA ASP A 83 8.900 14.110 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.031 16.075 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.217 16.046 1.884 1.00 0.00 H new ATOM 1316 N GLN A 84 8.658 12.203 0.059 1.00 0.00 N ATOM 1317 CA GLN A 84 7.879 11.527 -0.973 1.00 0.00 C ATOM 1318 C GLN A 84 6.973 10.464 -0.362 1.00 0.00 C ATOM 1319 O GLN A 84 6.997 9.303 -0.773 1.00 0.00 O ATOM 1320 CB GLN A 84 8.808 10.889 -2.007 1.00 0.00 C ATOM 1321 CG GLN A 84 9.390 11.885 -2.999 1.00 0.00 C ATOM 1322 CD GLN A 84 9.831 11.229 -4.293 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.356 10.115 -4.290 1.00 0.00 O ATOM 1324 NE2 GLN A 84 9.620 11.919 -5.408 1.00 0.00 N ATOM 0 H GLN A 84 9.218 11.580 0.641 1.00 0.00 H new ATOM 0 HA GLN A 84 7.254 12.271 -1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.624 10.386 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.258 10.123 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.646 12.650 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.242 12.390 -2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.182 12.839 -5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.896 11.529 -6.309 1.00 0.00 H new ATOM 1333 N ARG A 85 6.174 10.868 0.621 1.00 0.00 N ATOM 1334 CA ARG A 85 5.260 9.950 1.289 1.00 0.00 C ATOM 1335 C ARG A 85 4.218 9.413 0.312 1.00 0.00 C ATOM 1336 O ARG A 85 4.123 8.205 0.091 1.00 0.00 O ATOM 1337 CB ARG A 85 4.566 10.649 2.460 1.00 0.00 C ATOM 1338 CG ARG A 85 3.701 9.720 3.297 1.00 0.00 C ATOM 1339 CD ARG A 85 2.313 10.300 3.517 1.00 0.00 C ATOM 1340 NE ARG A 85 2.291 11.266 4.612 1.00 0.00 N ATOM 1341 CZ ARG A 85 1.187 11.620 5.259 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.020 11.088 4.923 1.00 0.00 N ATOM 1343 NH2 ARG A 85 1.248 12.507 6.246 1.00 0.00 N ATOM 0 H ARG A 85 6.142 11.825 0.972 1.00 0.00 H new ATOM 0 HA ARG A 85 5.842 9.111 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.322 11.103 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.947 11.459 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.618 8.753 2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.180 9.544 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.972 10.783 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.613 9.493 3.731 1.00 0.00 H new ATOM 0 HE ARG A 85 3.173 11.693 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.031 10.406 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.827 11.361 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.144 12.918 6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.399 12.778 6.742 1.00 0.00 H new ATOM 1357 N ALA A 86 3.438 10.319 -0.269 1.00 0.00 N ATOM 1358 CA ALA A 86 2.402 9.937 -1.222 1.00 0.00 C ATOM 1359 C ALA A 86 2.981 9.083 -2.345 1.00 0.00 C ATOM 1360 O ALA A 86 2.280 8.266 -2.943 1.00 0.00 O ATOM 1361 CB ALA A 86 1.726 11.174 -1.790 1.00 0.00 C ATOM 0 H ALA A 86 3.504 11.322 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 86 1.657 9.341 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.955 10.874 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.271 11.744 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.466 11.792 -2.298 1.00 0.00 H new ATOM 1367 N LYS A 87 4.263 9.280 -2.632 1.00 0.00 N ATOM 1368 CA LYS A 87 4.938 8.528 -3.684 1.00 0.00 C ATOM 1369 C LYS A 87 5.203 7.092 -3.242 1.00 0.00 C ATOM 1370 O LYS A 87 4.983 6.148 -4.001 1.00 0.00 O ATOM 1371 CB LYS A 87 6.253 9.209 -4.062 1.00 0.00 C ATOM 1372 CG LYS A 87 6.611 9.069 -5.532 1.00 0.00 C ATOM 1373 CD LYS A 87 6.291 10.336 -6.306 1.00 0.00 C ATOM 1374 CE LYS A 87 6.414 10.118 -7.806 1.00 0.00 C ATOM 1375 NZ LYS A 87 5.362 10.854 -8.562 1.00 0.00 N ATOM 0 H LYS A 87 4.857 9.955 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 87 4.285 8.505 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.189 10.268 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.057 8.787 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.672 8.841 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.064 8.230 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.280 10.664 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.967 11.133 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.398 10.445 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.341 9.053 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.480 10.680 -9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.423 10.524 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.448 11.873 -8.373 1.00 0.00 H new ATOM 1389 N VAL A 88 5.676 6.934 -2.011 1.00 0.00 N ATOM 1390 CA VAL A 88 5.969 5.613 -1.467 1.00 0.00 C ATOM 1391 C VAL A 88 4.708 4.761 -1.386 1.00 0.00 C ATOM 1392 O VAL A 88 4.766 3.537 -1.515 1.00 0.00 O ATOM 1393 CB VAL A 88 6.603 5.711 -0.067 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.872 4.322 0.495 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.881 6.531 -0.116 1.00 0.00 C ATOM 0 H VAL A 88 5.865 7.705 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 88 6.679 5.140 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 88 5.901 6.216 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.320 4.410 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.934 3.772 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.555 3.788 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.315 6.589 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.592 6.057 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.655 7.536 -0.472 1.00 0.00 H new ATOM 1405 N CYS A 89 3.572 5.414 -1.172 1.00 0.00 N ATOM 1406 CA CYS A 89 2.296 4.714 -1.073 1.00 0.00 C ATOM 1407 C CYS A 89 1.778 4.329 -2.455 1.00 0.00 C ATOM 1408 O CYS A 89 1.204 3.256 -2.635 1.00 0.00 O ATOM 1409 CB CYS A 89 1.265 5.590 -0.356 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.043 4.657 0.476 1.00 0.00 S ATOM 0 H CYS A 89 3.508 6.426 -1.064 1.00 0.00 H new ATOM 0 HA CYS A 89 2.454 3.802 -0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.779 6.210 0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.810 6.265 -1.081 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.864 5.482 1.054 1.00 0.00 H new ATOM 1416 N GLU A 90 1.984 5.213 -3.426 1.00 0.00 N ATOM 1417 CA GLU A 90 1.537 4.965 -4.792 1.00 0.00 C ATOM 1418 C GLU A 90 2.387 3.887 -5.456 1.00 0.00 C ATOM 1419 O GLU A 90 1.890 3.094 -6.257 1.00 0.00 O ATOM 1420 CB GLU A 90 1.594 6.254 -5.613 1.00 0.00 C ATOM 1421 CG GLU A 90 0.229 6.874 -5.869 1.00 0.00 C ATOM 1422 CD GLU A 90 0.325 8.286 -6.417 1.00 0.00 C ATOM 1423 OE1 GLU A 90 0.632 8.436 -7.618 1.00 0.00 O ATOM 1424 OE2 GLU A 90 0.091 9.238 -5.643 1.00 0.00 O ATOM 0 H GLU A 90 2.457 6.107 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 90 0.506 4.615 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.221 6.978 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.074 6.045 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.323 6.251 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.341 6.886 -4.940 1.00 0.00 H new ATOM 1431 N PHE A 91 3.672 3.864 -5.119 1.00 0.00 N ATOM 1432 CA PHE A 91 4.593 2.886 -5.684 1.00 0.00 C ATOM 1433 C PHE A 91 4.439 1.533 -4.996 1.00 0.00 C ATOM 1434 O PHE A 91 4.625 0.485 -5.615 1.00 0.00 O ATOM 1435 CB PHE A 91 6.037 3.376 -5.551 1.00 0.00 C ATOM 1436 CG PHE A 91 6.940 2.887 -6.647 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.844 3.408 -7.926 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.886 1.905 -6.397 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.675 2.961 -8.937 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.718 1.453 -7.402 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.611 1.981 -8.674 1.00 0.00 C ATOM 0 H PHE A 91 4.099 4.512 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 91 4.353 2.767 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.043 4.466 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.436 3.050 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.111 4.173 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.973 1.489 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.592 3.378 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.451 0.688 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.259 1.627 -9.462 1.00 0.00 H new ATOM 1451 N MET A 92 4.098 1.564 -3.712 1.00 0.00 N ATOM 1452 CA MET A 92 3.918 0.340 -2.939 1.00 0.00 C ATOM 1453 C MET A 92 2.691 -0.429 -3.418 1.00 0.00 C ATOM 1454 O MET A 92 2.737 -1.648 -3.583 1.00 0.00 O ATOM 1455 CB MET A 92 3.780 0.668 -1.451 1.00 0.00 C ATOM 1456 CG MET A 92 5.080 0.526 -0.675 1.00 0.00 C ATOM 1457 SD MET A 92 5.273 -1.107 0.063 1.00 0.00 S ATOM 1458 CE MET A 92 4.161 -0.981 1.462 1.00 0.00 C ATOM 0 H MET A 92 3.941 2.423 -3.185 1.00 0.00 H new ATOM 0 HA MET A 92 4.798 -0.287 -3.086 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.412 1.689 -1.345 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.030 0.011 -1.010 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.920 0.721 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.115 1.282 0.110 1.00 0.00 H new ATOM 0 HE1 MET A 92 4.682 -1.286 2.370 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.823 0.050 1.567 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.300 -1.630 1.302 1.00 0.00 H new ATOM 1468 N ILE A 93 1.595 0.291 -3.639 1.00 0.00 N ATOM 1469 CA ILE A 93 0.357 -0.324 -4.100 1.00 0.00 C ATOM 1470 C ILE A 93 0.461 -0.739 -5.564 1.00 0.00 C ATOM 1471 O ILE A 93 -0.026 -1.799 -5.956 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.842 0.626 -3.929 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.967 1.071 -2.471 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.123 -0.049 -4.395 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.906 2.240 -2.273 1.00 0.00 C ATOM 0 H ILE A 93 1.540 1.301 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 93 0.197 -1.210 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.676 1.510 -4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.316 0.230 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.020 1.341 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.962 0.635 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.030 -0.318 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.296 -0.949 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.945 2.500 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.547 3.096 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.904 1.967 -2.616 1.00 0.00 H new ATOM 1487 N SER A 94 1.099 0.106 -6.369 1.00 0.00 N ATOM 1488 CA SER A 94 1.265 -0.171 -7.790 1.00 0.00 C ATOM 1489 C SER A 94 2.244 -1.319 -8.010 1.00 0.00 C ATOM 1490 O SER A 94 2.214 -1.986 -9.043 1.00 0.00 O ATOM 1491 CB SER A 94 1.755 1.080 -8.520 1.00 0.00 C ATOM 1492 OG SER A 94 0.734 2.060 -8.597 1.00 0.00 O ATOM 0 H SER A 94 1.509 0.988 -6.060 1.00 0.00 H new ATOM 0 HA SER A 94 0.295 -0.463 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.620 1.492 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.083 0.813 -9.525 1.00 0.00 H new ATOM 0 HG SER A 94 0.811 2.673 -7.836 1.00 0.00 H new ATOM 1498 N GLN A 95 3.113 -1.543 -7.029 1.00 0.00 N ATOM 1499 CA GLN A 95 4.104 -2.610 -7.114 1.00 0.00 C ATOM 1500 C GLN A 95 3.618 -3.863 -6.394 1.00 0.00 C ATOM 1501 O GLN A 95 4.102 -4.966 -6.650 1.00 0.00 O ATOM 1502 CB GLN A 95 5.435 -2.148 -6.518 1.00 0.00 C ATOM 1503 CG GLN A 95 6.566 -3.144 -6.711 1.00 0.00 C ATOM 1504 CD GLN A 95 7.128 -3.649 -5.396 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.789 -2.913 -4.665 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.869 -4.916 -5.089 1.00 0.00 N ATOM 0 H GLN A 95 3.151 -1.000 -6.166 1.00 0.00 H new ATOM 0 HA GLN A 95 4.251 -2.852 -8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.717 -1.198 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.302 -1.964 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.205 -3.990 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.364 -2.675 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.316 -5.492 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.223 -5.312 -4.218 1.00 0.00 H new ATOM 1515 N LEU A 96 2.658 -3.686 -5.493 1.00 0.00 N ATOM 1516 CA LEU A 96 2.106 -4.803 -4.735 1.00 0.00 C ATOM 1517 C LEU A 96 0.956 -5.460 -5.491 1.00 0.00 C ATOM 1518 O LEU A 96 0.635 -6.626 -5.264 1.00 0.00 O ATOM 1519 CB LEU A 96 1.621 -4.325 -3.364 1.00 0.00 C ATOM 1520 CG LEU A 96 2.687 -4.230 -2.271 1.00 0.00 C ATOM 1521 CD1 LEU A 96 2.218 -3.322 -1.145 1.00 0.00 C ATOM 1522 CD2 LEU A 96 3.026 -5.615 -1.737 1.00 0.00 C ATOM 0 H LEU A 96 2.246 -2.780 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 96 2.896 -5.542 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.164 -3.343 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.838 -5.001 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 96 3.589 -3.798 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.989 -3.267 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.026 -2.324 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.302 -3.724 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.786 -5.530 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.130 -6.073 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.405 -6.235 -2.549 1.00 0.00 H new ATOM 1534 N GLY A 97 0.341 -4.704 -6.396 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.765 -5.230 -7.175 1.00 0.00 C ATOM 1536 C GLY A 97 -2.110 -4.741 -6.677 1.00 0.00 C ATOM 1537 O GLY A 97 -3.031 -5.532 -6.476 1.00 0.00 O ATOM 0 H GLY A 97 0.589 -3.737 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.640 -4.940 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.743 -6.319 -7.142 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.223 -3.433 -6.474 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.465 -2.837 -5.996 1.00 0.00 C ATOM 1543 C LEU A 98 -3.798 -3.328 -4.590 1.00 0.00 C ATOM 1544 O LEU A 98 -4.893 -3.830 -4.341 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.615 -3.170 -6.949 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.328 -2.978 -8.439 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.373 -4.312 -9.167 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -5.319 -1.999 -9.051 1.00 0.00 C ATOM 0 H LEU A 98 -1.469 -2.765 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.330 -1.756 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.907 -4.208 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.472 -2.552 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.326 -2.563 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.167 -4.156 -10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.623 -4.982 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.362 -4.756 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.100 -1.874 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.332 -2.385 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.237 -1.036 -8.548 1.00 0.00 H new ATOM 1560 N GLN A 99 -2.844 -3.178 -3.676 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.037 -3.605 -2.296 1.00 0.00 C ATOM 1562 C GLN A 99 -3.683 -2.497 -1.468 1.00 0.00 C ATOM 1563 O GLN A 99 -3.037 -1.510 -1.120 1.00 0.00 O ATOM 1564 CB GLN A 99 -1.699 -4.008 -1.673 1.00 0.00 C ATOM 1565 CG GLN A 99 -1.770 -4.229 -0.170 1.00 0.00 C ATOM 1566 CD GLN A 99 -1.151 -5.546 0.256 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -1.580 -6.616 -0.177 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -0.135 -5.475 1.109 1.00 0.00 N ATOM 0 H GLN A 99 -1.931 -2.765 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.704 -4.467 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.346 -4.922 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.962 -3.233 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.260 -3.411 0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.812 -4.202 0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.188 -4.567 1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.322 -6.329 1.430 1.00 0.00 H new ATOM 1577 N LYS A 100 -4.964 -2.669 -1.158 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.699 -1.686 -0.371 1.00 0.00 C ATOM 1579 C LYS A 100 -6.801 -2.356 0.444 1.00 0.00 C ATOM 1580 O LYS A 100 -7.739 -1.698 0.898 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.304 -0.619 -1.287 1.00 0.00 C ATOM 1582 CG LYS A 100 -6.272 0.779 -0.694 1.00 0.00 C ATOM 1583 CD LYS A 100 -6.394 1.844 -1.773 1.00 0.00 C ATOM 1584 CE LYS A 100 -7.358 2.946 -1.360 1.00 0.00 C ATOM 1585 NZ LYS A 100 -7.377 4.063 -2.345 1.00 0.00 N ATOM 0 H LYS A 100 -5.514 -3.480 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.000 -1.211 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.764 -0.616 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.337 -0.887 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.086 0.890 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.342 0.921 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.413 2.274 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.738 1.386 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.362 2.532 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.073 3.330 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.046 4.794 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.425 4.475 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.674 3.702 -3.274 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.683 -3.665 0.627 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.665 -4.424 1.390 1.00 0.00 C ATOM 1601 C LYS A 101 -7.826 -3.851 2.795 1.00 0.00 C ATOM 1602 O LYS A 101 -8.881 -3.984 3.413 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.254 -5.896 1.473 1.00 0.00 C ATOM 1604 CG LYS A 101 -6.939 -6.517 0.123 1.00 0.00 C ATOM 1605 CD LYS A 101 -7.242 -8.007 0.109 1.00 0.00 C ATOM 1606 CE LYS A 101 -8.415 -8.328 -0.803 1.00 0.00 C ATOM 1607 NZ LYS A 101 -8.512 -9.786 -1.088 1.00 0.00 N ATOM 0 H LYS A 101 -5.915 -4.224 0.256 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.622 -4.349 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.379 -5.984 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.056 -6.462 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.522 -6.019 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.888 -6.356 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.361 -8.556 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.464 -8.344 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.340 -7.986 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.307 -7.781 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.324 -9.964 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.639 -10.107 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.640 -10.306 -0.197 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.772 -3.212 3.291 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.797 -2.616 4.623 1.00 0.00 C ATOM 1623 C ASN A 102 -5.515 -1.833 4.892 1.00 0.00 C ATOM 1624 O ASN A 102 -4.442 -2.196 4.410 1.00 0.00 O ATOM 1625 CB ASN A 102 -6.978 -3.702 5.685 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.501 -3.146 6.996 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.892 -2.256 7.592 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.634 -3.669 7.450 1.00 0.00 N ATOM 0 H ASN A 102 -5.890 -3.093 2.792 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.639 -1.926 4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.669 -4.459 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.024 -4.199 5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.035 -3.335 8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.104 -4.405 6.922 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.637 -0.759 5.664 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.488 0.074 5.999 1.00 0.00 C ATOM 1637 C ILE A 103 -4.539 0.520 7.456 1.00 0.00 C ATOM 1638 O ILE A 103 -5.495 1.165 7.888 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.415 1.320 5.095 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.176 2.151 5.437 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.676 2.156 5.240 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.029 3.394 4.588 1.00 0.00 C ATOM 0 H ILE A 103 -6.519 -0.445 6.069 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.598 -0.535 5.839 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.338 0.994 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.221 2.441 6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.288 1.531 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.608 3.032 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.542 1.560 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.783 2.476 6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.130 3.934 4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.951 3.111 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.900 4.035 4.727 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.501 0.173 8.211 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.424 0.538 9.620 1.00 0.00 C ATOM 1656 C LYS A 104 -2.507 1.740 9.821 1.00 0.00 C ATOM 1657 O LYS A 104 -1.285 1.597 9.874 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.920 -0.646 10.448 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.627 -0.294 11.897 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.369 -1.211 12.855 1.00 0.00 C ATOM 1661 CE LYS A 104 -2.655 -1.314 14.193 1.00 0.00 C ATOM 1662 NZ LYS A 104 -1.415 -2.133 14.099 1.00 0.00 N ATOM 0 H LYS A 104 -2.702 -0.361 7.870 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.426 0.807 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.664 -1.442 10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.014 -1.041 9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.555 -0.366 12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.914 0.740 12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.381 -0.836 13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.461 -2.203 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.404 -0.315 14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.326 -1.755 14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.116 -2.421 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.601 -2.980 13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.661 -1.571 13.655 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.102 2.922 9.932 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.338 4.148 10.129 1.00 0.00 C ATOM 1678 C ILE A 105 -2.317 4.552 11.600 1.00 0.00 C ATOM 1679 O ILE A 105 -3.294 4.352 12.323 1.00 0.00 O ATOM 1680 CB ILE A 105 -2.910 5.309 9.297 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -2.152 6.603 9.596 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -4.395 5.482 9.579 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -2.053 7.536 8.409 1.00 0.00 C ATOM 0 H ILE A 105 -4.112 3.057 9.889 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.321 3.942 9.796 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.785 5.074 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.647 7.123 10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.147 6.355 9.937 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.785 6.307 8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.924 4.565 9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.542 5.698 10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.503 8.432 8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.531 7.034 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.054 7.815 8.081 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.200 5.125 12.035 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.053 5.561 13.419 1.00 0.00 C ATOM 1697 C HIS A 106 -1.707 6.922 13.631 1.00 0.00 C ATOM 1698 O HIS A 106 -1.239 7.935 13.115 1.00 0.00 O ATOM 1699 CB HIS A 106 0.425 5.628 13.800 1.00 0.00 C ATOM 1700 CG HIS A 106 0.658 5.932 15.248 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.029 7.179 15.706 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.565 5.143 16.345 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.158 7.143 17.020 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.883 5.920 17.433 1.00 0.00 N ATOM 0 H HIS A 106 -0.383 5.298 11.449 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.553 4.833 14.059 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.898 4.677 13.557 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.914 6.391 13.194 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.292 4.098 16.362 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.441 7.974 17.650 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.903 5.603 18.402 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.796 6.938 14.397 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.498 8.179 14.664 1.00 0.00 C ATOM 1714 C GLY A 107 -3.302 8.661 16.088 1.00 0.00 C ATOM 1715 O GLY A 107 -4.027 8.249 16.994 1.00 0.00 O ATOM 0 H GLY A 107 -3.203 6.113 14.837 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.149 8.946 13.973 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.562 8.039 14.474 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.322 9.534 16.286 1.00 0.00 N ATOM 1720 CA PHE A 108 -2.031 10.070 17.611 1.00 0.00 C ATOM 1721 C PHE A 108 -1.851 8.946 18.625 1.00 0.00 C ATOM 1722 O PHE A 108 -1.859 9.179 19.833 1.00 0.00 O ATOM 1723 CB PHE A 108 -3.155 11.006 18.063 1.00 0.00 C ATOM 1724 CG PHE A 108 -3.503 12.059 17.049 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -2.639 13.113 16.801 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -4.695 11.995 16.345 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -2.955 14.083 15.869 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -5.017 12.961 15.412 1.00 0.00 C ATOM 1729 CZ PHE A 108 -4.148 14.007 15.175 1.00 0.00 C ATOM 0 H PHE A 108 -1.715 9.886 15.546 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.100 10.633 17.552 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.044 10.414 18.280 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.860 11.492 18.993 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.707 13.177 17.343 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.380 11.180 16.528 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -2.272 14.898 15.683 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.948 12.898 14.868 1.00 0.00 H new ATOM 0 HZ PHE A 108 -4.400 14.765 14.448 1.00 0.00 H new