USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 0.494 K(o=0.028,f=-8.3!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.465 USER MOD Set 2.1: A 65 SER OG : rot -36:sc= 0.249 USER MOD Set 2.2: A 99 MET CE :methyl 166:sc=-0.00212 (180deg=-0.146) USER MOD Single : A 7 SER OG : rot 35:sc= 0.231 USER MOD Single : A 8 MET CE :methyl -110:sc= -1.27 (180deg=-3.84!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -138:sc= 1.08 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -2.01 K(o=-2,f=-0.57) USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.438 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc=-0.00156 (180deg=-0.227) USER MOD Single : A 48 HIS : no HD1:sc= -4.64! K(o=-4.6!,f=-3.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 86:sc= 1 USER MOD Single : A 55 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 101:sc= 0.523 USER MOD Single : A 66 TYR OH : rot -156:sc= 0.457 USER MOD Single : A 69 GLN : amide:sc= -0.872 K(o=-0.87,f=-3.3!) USER MOD Single : A 76 TYR OH : rot 30:sc= 0.88 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 92 LYS NZ :NH3+ -112:sc= 1.25 (180deg=0.908) USER MOD Single : A 93 SER OG : rot -2:sc= 0.255 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.515 -6.143 -4.774 1.00 0.00 N ATOM 70 CA SER A 7 -16.214 -5.579 -4.917 1.00 0.00 C ATOM 71 C SER A 7 -15.990 -4.572 -3.796 1.00 0.00 C ATOM 72 O SER A 7 -16.855 -3.740 -3.502 1.00 0.00 O ATOM 73 CB SER A 7 -16.067 -4.961 -6.287 1.00 0.00 C ATOM 74 OG SER A 7 -16.463 -5.877 -7.305 1.00 0.00 O ATOM 0 HA SER A 7 -15.449 -6.351 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.674 -4.058 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.031 -4.661 -6.445 1.00 0.00 H new ATOM 0 HG SER A 7 -17.214 -6.419 -6.983 1.00 0.00 H new ATOM 80 N MET A 8 -14.858 -4.663 -3.193 1.00 0.00 N ATOM 81 CA MET A 8 -14.554 -3.927 -1.989 1.00 0.00 C ATOM 82 C MET A 8 -13.482 -2.924 -2.191 1.00 0.00 C ATOM 83 O MET A 8 -12.509 -3.196 -2.864 1.00 0.00 O ATOM 84 CB MET A 8 -14.088 -4.892 -0.962 1.00 0.00 C ATOM 85 CG MET A 8 -15.036 -6.027 -0.775 1.00 0.00 C ATOM 86 SD MET A 8 -14.623 -7.048 0.581 1.00 0.00 S ATOM 87 CE MET A 8 -15.929 -8.217 0.447 1.00 0.00 C ATOM 0 H MET A 8 -14.095 -5.258 -3.517 1.00 0.00 H new ATOM 0 HA MET A 8 -15.458 -3.399 -1.685 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.112 -5.282 -1.250 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.956 -4.372 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.042 -5.633 -0.632 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.056 -6.630 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.623 -8.084 1.277 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.457 -8.066 -0.495 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.518 -9.226 0.475 1.00 0.00 H new ATOM 97 N LYS A 9 -13.640 -1.762 -1.606 1.00 0.00 N ATOM 98 CA LYS A 9 -12.621 -0.763 -1.686 1.00 0.00 C ATOM 99 C LYS A 9 -11.834 -0.792 -0.379 1.00 0.00 C ATOM 100 O LYS A 9 -12.249 -0.235 0.643 1.00 0.00 O ATOM 101 CB LYS A 9 -13.217 0.608 -1.987 1.00 0.00 C ATOM 102 CG LYS A 9 -12.231 1.590 -2.530 1.00 0.00 C ATOM 103 CD LYS A 9 -12.928 2.841 -3.000 1.00 0.00 C ATOM 104 CE LYS A 9 -12.058 3.588 -3.970 1.00 0.00 C ATOM 105 NZ LYS A 9 -12.718 4.791 -4.513 1.00 0.00 N ATOM 0 H LYS A 9 -14.466 -1.492 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.942 -0.972 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.030 0.491 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.653 1.013 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.500 1.842 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.681 1.141 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.874 2.582 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.163 3.477 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.132 3.879 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.784 2.926 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.076 5.270 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.588 4.515 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.956 5.438 -3.734 1.00 0.00 H new ATOM 119 N ILE A 10 -10.736 -1.487 -0.427 1.00 0.00 N ATOM 120 CA ILE A 10 -9.922 -1.792 0.708 1.00 0.00 C ATOM 121 C ILE A 10 -8.644 -0.991 0.683 1.00 0.00 C ATOM 122 O ILE A 10 -8.044 -0.826 -0.376 1.00 0.00 O ATOM 123 CB ILE A 10 -9.583 -3.299 0.633 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.860 -4.118 0.796 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.504 -3.709 1.633 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.724 -5.550 0.388 1.00 0.00 C ATOM 0 H ILE A 10 -10.369 -1.873 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.454 -1.546 1.627 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.159 -3.504 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.174 -4.077 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.652 -3.657 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.306 -4.776 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.590 -3.150 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.845 -3.493 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.675 -6.062 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.441 -5.604 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.956 -6.030 0.995 1.00 0.00 H new ATOM 138 N ARG A 11 -8.239 -0.489 1.831 1.00 0.00 N ATOM 139 CA ARG A 11 -6.958 0.118 1.969 1.00 0.00 C ATOM 140 C ARG A 11 -5.877 -0.856 1.850 1.00 0.00 C ATOM 141 O ARG A 11 -5.902 -1.931 2.434 1.00 0.00 O ATOM 142 CB ARG A 11 -6.790 0.858 3.289 1.00 0.00 C ATOM 143 CG ARG A 11 -7.177 2.316 3.189 1.00 0.00 C ATOM 144 CD ARG A 11 -6.753 3.086 4.430 1.00 0.00 C ATOM 145 NE ARG A 11 -5.399 2.725 4.904 1.00 0.00 N ATOM 146 CZ ARG A 11 -4.969 2.912 6.155 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.713 3.589 7.026 1.00 0.00 N ATOM 148 NH2 ARG A 11 -3.795 2.442 6.520 1.00 0.00 N ATOM 0 H ARG A 11 -8.797 -0.497 2.685 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.900 0.838 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.400 0.375 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.753 0.782 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.713 2.758 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.256 2.400 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.783 4.154 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.472 2.901 5.228 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.753 2.307 4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.616 3.968 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.381 3.729 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.217 1.937 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.464 2.583 7.474 1.00 0.00 H new ATOM 162 N VAL A 12 -4.966 -0.512 1.060 1.00 0.00 N ATOM 163 CA VAL A 12 -3.850 -1.277 0.834 1.00 0.00 C ATOM 164 C VAL A 12 -2.659 -0.496 1.260 1.00 0.00 C ATOM 165 O VAL A 12 -2.507 0.639 0.786 1.00 0.00 O ATOM 166 CB VAL A 12 -3.705 -1.486 -0.708 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.503 -2.355 -1.007 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.957 -2.128 -1.270 1.00 0.00 C ATOM 0 H VAL A 12 -4.984 0.358 0.528 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.930 -2.224 1.368 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.565 -0.513 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.413 -2.493 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.602 -1.874 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.627 -3.325 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.843 -2.268 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.116 -3.095 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.814 -1.483 -1.077 1.00 0.00 H new ATOM 178 N GLU A 13 -1.850 -1.005 2.148 1.00 0.00 N ATOM 179 CA GLU A 13 -0.597 -0.367 2.296 1.00 0.00 C ATOM 180 C GLU A 13 0.315 -0.899 1.268 1.00 0.00 C ATOM 181 O GLU A 13 0.185 -2.046 0.860 1.00 0.00 O ATOM 182 CB GLU A 13 0.182 -0.427 3.619 1.00 0.00 C ATOM 183 CG GLU A 13 -0.113 0.709 4.590 1.00 0.00 C ATOM 184 CD GLU A 13 -1.519 0.797 5.106 1.00 0.00 C ATOM 185 OE1 GLU A 13 -2.392 1.366 4.423 1.00 0.00 O ATOM 186 OE2 GLU A 13 -1.749 0.419 6.260 1.00 0.00 O ATOM 0 H GLU A 13 -2.030 -1.813 2.744 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.892 0.680 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.040 -1.373 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.249 -0.427 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.559 0.612 5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.130 1.651 4.098 1.00 0.00 H new ATOM 193 N LEU A 14 1.205 -0.105 0.846 1.00 0.00 N ATOM 194 CA LEU A 14 2.191 -0.516 -0.100 1.00 0.00 C ATOM 195 C LEU A 14 3.580 -0.290 0.433 1.00 0.00 C ATOM 196 O LEU A 14 3.889 0.790 0.944 1.00 0.00 O ATOM 197 CB LEU A 14 1.932 0.237 -1.427 1.00 0.00 C ATOM 198 CG LEU A 14 2.980 0.241 -2.577 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.082 1.243 -2.334 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.554 -1.128 -2.825 1.00 0.00 C ATOM 0 H LEU A 14 1.286 0.868 1.142 1.00 0.00 H new ATOM 0 HA LEU A 14 2.116 -1.588 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.007 -0.163 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.741 1.279 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 14 2.444 0.545 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.791 1.212 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.655 2.243 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.597 0.999 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.281 -1.076 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.045 -1.486 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.753 -1.814 -3.099 1.00 0.00 H new ATOM 212 N ILE A 15 4.422 -1.304 0.347 1.00 0.00 N ATOM 213 CA ILE A 15 5.828 -1.093 0.623 1.00 0.00 C ATOM 214 C ILE A 15 6.622 -1.204 -0.682 1.00 0.00 C ATOM 215 O ILE A 15 6.615 -2.247 -1.362 1.00 0.00 O ATOM 216 CB ILE A 15 6.570 -2.027 1.683 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.149 -1.663 3.134 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.101 -1.973 1.566 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.664 -1.790 3.440 1.00 0.00 C ATOM 0 H ILE A 15 4.165 -2.258 0.095 1.00 0.00 H new ATOM 0 HA ILE A 15 5.813 -0.107 1.087 1.00 0.00 H new ATOM 0 HB ILE A 15 6.259 -3.046 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.700 -2.302 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.457 -0.637 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.546 -2.629 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.402 -2.300 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.443 -0.951 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.481 -1.512 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.099 -1.129 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.346 -2.820 3.279 1.00 0.00 H new ATOM 483 N PRO A 33 2.683 4.578 1.690 1.00 0.00 N ATOM 484 CA PRO A 33 1.725 4.869 0.605 1.00 0.00 C ATOM 485 C PRO A 33 0.536 3.894 0.659 1.00 0.00 C ATOM 486 O PRO A 33 0.730 2.673 0.747 1.00 0.00 O ATOM 487 CB PRO A 33 2.591 4.621 -0.659 1.00 0.00 C ATOM 488 CG PRO A 33 3.851 3.995 -0.173 1.00 0.00 C ATOM 489 CD PRO A 33 4.056 4.526 1.182 1.00 0.00 C ATOM 0 HA PRO A 33 1.288 5.867 0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.076 3.967 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.795 5.555 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.770 2.908 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.689 4.244 -0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.691 3.877 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.526 5.510 1.170 1.00 0.00 H new ATOM 497 N SER A 34 -0.672 4.418 0.611 1.00 0.00 N ATOM 498 CA SER A 34 -1.842 3.586 0.749 1.00 0.00 C ATOM 499 C SER A 34 -2.907 4.024 -0.246 1.00 0.00 C ATOM 500 O SER A 34 -2.922 5.184 -0.694 1.00 0.00 O ATOM 501 CB SER A 34 -2.413 3.654 2.184 1.00 0.00 C ATOM 502 OG SER A 34 -1.404 3.519 3.173 1.00 0.00 O ATOM 0 H SER A 34 -0.865 5.411 0.478 1.00 0.00 H new ATOM 0 HA SER A 34 -1.550 2.556 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.929 4.604 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.155 2.866 2.315 1.00 0.00 H new ATOM 0 HG SER A 34 -1.724 2.931 3.889 1.00 0.00 H new ATOM 508 N VAL A 35 -3.782 3.123 -0.588 1.00 0.00 N ATOM 509 CA VAL A 35 -4.863 3.388 -1.496 1.00 0.00 C ATOM 510 C VAL A 35 -6.027 2.550 -1.107 1.00 0.00 C ATOM 511 O VAL A 35 -5.848 1.485 -0.541 1.00 0.00 O ATOM 512 CB VAL A 35 -4.478 3.084 -2.997 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.109 1.636 -3.216 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.594 3.443 -3.955 1.00 0.00 C ATOM 0 H VAL A 35 -3.765 2.165 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.103 4.449 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.608 3.709 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.853 1.480 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.253 1.380 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.954 1.001 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.284 3.217 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.485 2.864 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.818 4.506 -3.871 1.00 0.00 H new ATOM 524 N SER A 36 -7.185 3.023 -1.365 1.00 0.00 N ATOM 525 CA SER A 36 -8.326 2.257 -1.180 1.00 0.00 C ATOM 526 C SER A 36 -8.666 1.705 -2.569 1.00 0.00 C ATOM 527 O SER A 36 -9.122 2.431 -3.451 1.00 0.00 O ATOM 528 CB SER A 36 -9.394 3.092 -0.603 1.00 0.00 C ATOM 529 OG SER A 36 -8.908 3.835 0.517 1.00 0.00 O ATOM 0 H SER A 36 -7.356 3.966 -1.714 1.00 0.00 H new ATOM 0 HA SER A 36 -8.192 1.434 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.776 3.776 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.227 2.462 -0.293 1.00 0.00 H new ATOM 0 HG SER A 36 -9.632 4.384 0.884 1.00 0.00 H new ATOM 535 N HIS A 37 -8.395 0.447 -2.758 1.00 0.00 N ATOM 536 CA HIS A 37 -8.466 -0.180 -4.030 1.00 0.00 C ATOM 537 C HIS A 37 -9.642 -1.137 -4.083 1.00 0.00 C ATOM 538 O HIS A 37 -9.987 -1.750 -3.092 1.00 0.00 O ATOM 539 CB HIS A 37 -7.132 -0.899 -4.283 1.00 0.00 C ATOM 540 CG HIS A 37 -7.077 -1.720 -5.528 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.633 -1.259 -6.731 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.426 -2.982 -5.723 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.720 -2.210 -7.619 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.204 -3.279 -7.037 1.00 0.00 N ATOM 0 H HIS A 37 -8.112 -0.182 -2.007 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.627 0.560 -4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.338 -0.153 -4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.919 -1.545 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.817 -3.657 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.440 -2.130 -8.659 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.384 -4.177 -7.487 1.00 0.00 H new ATOM 553 N ILE A 38 -10.205 -1.259 -5.246 1.00 0.00 N ATOM 554 CA ILE A 38 -11.390 -2.088 -5.527 1.00 0.00 C ATOM 555 C ILE A 38 -10.856 -3.532 -5.762 1.00 0.00 C ATOM 556 O ILE A 38 -10.097 -3.791 -6.711 1.00 0.00 O ATOM 557 CB ILE A 38 -11.960 -1.598 -6.793 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.387 -0.118 -6.681 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.150 -2.482 -7.087 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.469 0.149 -5.652 1.00 0.00 C ATOM 0 H ILE A 38 -9.856 -0.775 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.131 -2.057 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.224 -1.642 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.511 0.482 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.739 0.220 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.617 -2.165 -8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.821 -3.517 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.872 -2.402 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.706 1.213 -5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.363 -0.420 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.116 -0.154 -4.666 1.00 0.00 H new ATOM 572 N PHE A 39 -11.192 -4.403 -4.903 1.00 0.00 N ATOM 573 CA PHE A 39 -10.846 -5.764 -5.030 1.00 0.00 C ATOM 574 C PHE A 39 -12.092 -6.568 -5.246 1.00 0.00 C ATOM 575 O PHE A 39 -13.155 -6.234 -4.726 1.00 0.00 O ATOM 576 CB PHE A 39 -10.136 -6.270 -3.808 1.00 0.00 C ATOM 577 CG PHE A 39 -8.763 -5.747 -3.572 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.666 -6.392 -4.103 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.569 -4.646 -2.786 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.394 -5.940 -3.846 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.308 -4.182 -2.528 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.213 -4.834 -3.055 1.00 0.00 C ATOM 0 H PHE A 39 -11.732 -4.188 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.171 -5.866 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.746 -6.032 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.081 -7.357 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.808 -7.262 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.422 -4.136 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.541 -6.453 -4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.170 -3.306 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.216 -4.475 -2.846 1.00 0.00 H new ATOM 592 N ASP A 40 -11.953 -7.592 -6.013 1.00 0.00 N ATOM 593 CA ASP A 40 -12.996 -8.515 -6.316 1.00 0.00 C ATOM 594 C ASP A 40 -12.353 -9.886 -6.422 1.00 0.00 C ATOM 595 O ASP A 40 -11.140 -10.015 -6.183 1.00 0.00 O ATOM 596 CB ASP A 40 -13.716 -8.144 -7.633 1.00 0.00 C ATOM 597 CG ASP A 40 -12.802 -8.109 -8.841 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.378 -9.157 -9.303 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.507 -7.017 -9.352 1.00 0.00 O ATOM 0 H ASP A 40 -11.070 -7.822 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.756 -8.498 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.515 -8.863 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.186 -7.168 -7.516 1.00 0.00 H new ATOM 604 N GLY A 41 -13.101 -10.857 -6.853 1.00 0.00 N ATOM 605 CA GLY A 41 -12.595 -12.216 -6.893 1.00 0.00 C ATOM 606 C GLY A 41 -12.482 -12.724 -8.309 1.00 0.00 C ATOM 607 O GLY A 41 -11.880 -13.759 -8.573 1.00 0.00 O ATOM 0 H GLY A 41 -14.060 -10.745 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.617 -12.255 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.257 -12.868 -6.323 1.00 0.00 H new ATOM 611 N GLU A 42 -13.060 -11.979 -9.209 1.00 0.00 N ATOM 612 CA GLU A 42 -13.140 -12.313 -10.602 1.00 0.00 C ATOM 613 C GLU A 42 -11.874 -11.926 -11.355 1.00 0.00 C ATOM 614 O GLU A 42 -11.534 -12.509 -12.396 1.00 0.00 O ATOM 615 CB GLU A 42 -14.340 -11.586 -11.137 1.00 0.00 C ATOM 616 CG GLU A 42 -15.604 -11.908 -10.353 1.00 0.00 C ATOM 617 CD GLU A 42 -16.748 -11.016 -10.692 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.469 -11.305 -11.654 1.00 0.00 O ATOM 619 OE2 GLU A 42 -16.974 -10.018 -9.977 1.00 0.00 O ATOM 0 H GLU A 42 -13.505 -11.089 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.237 -13.390 -10.735 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.157 -10.512 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.486 -11.851 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.889 -12.942 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.393 -11.828 -9.287 1.00 0.00 H new ATOM 626 N THR A 43 -11.198 -10.952 -10.841 1.00 0.00 N ATOM 627 CA THR A 43 -9.991 -10.496 -11.352 1.00 0.00 C ATOM 628 C THR A 43 -8.841 -11.144 -10.600 1.00 0.00 C ATOM 629 O THR A 43 -8.868 -11.201 -9.348 1.00 0.00 O ATOM 630 CB THR A 43 -9.945 -9.010 -11.147 1.00 0.00 C ATOM 631 OG1 THR A 43 -11.121 -8.401 -11.714 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.693 -8.395 -11.703 1.00 0.00 C ATOM 0 H THR A 43 -11.506 -10.442 -10.013 1.00 0.00 H new ATOM 0 HA THR A 43 -9.904 -10.745 -12.410 1.00 0.00 H new ATOM 0 HB THR A 43 -9.929 -8.822 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.898 -8.603 -11.151 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.708 -7.319 -11.529 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.824 -8.830 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.637 -8.589 -12.774 1.00 0.00 H new ATOM 640 N ALA A 44 -7.872 -11.668 -11.345 1.00 0.00 N ATOM 641 CA ALA A 44 -6.669 -12.230 -10.774 1.00 0.00 C ATOM 642 C ALA A 44 -5.991 -11.234 -9.860 1.00 0.00 C ATOM 643 O ALA A 44 -6.077 -10.001 -10.058 1.00 0.00 O ATOM 644 CB ALA A 44 -5.696 -12.666 -11.859 1.00 0.00 C ATOM 0 H ALA A 44 -7.906 -11.711 -12.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.963 -13.105 -10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.801 -13.084 -11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.167 -13.421 -12.488 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.422 -11.805 -12.469 1.00 0.00 H new ATOM 650 N VAL A 45 -5.334 -11.766 -8.877 1.00 0.00 N ATOM 651 CA VAL A 45 -4.615 -11.001 -7.890 1.00 0.00 C ATOM 652 C VAL A 45 -3.617 -10.093 -8.557 1.00 0.00 C ATOM 653 O VAL A 45 -3.614 -8.894 -8.323 1.00 0.00 O ATOM 654 CB VAL A 45 -3.810 -11.915 -6.967 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.011 -11.069 -6.011 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.774 -12.777 -6.199 1.00 0.00 C ATOM 0 H VAL A 45 -5.278 -12.774 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.358 -10.436 -7.327 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.130 -12.541 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.434 -11.715 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.333 -10.426 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.687 -10.453 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.220 -13.438 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.439 -12.144 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.363 -13.374 -6.895 1.00 0.00 H new ATOM 666 N LYS A 46 -2.813 -10.684 -9.411 1.00 0.00 N ATOM 667 CA LYS A 46 -1.725 -9.991 -10.117 1.00 0.00 C ATOM 668 C LYS A 46 -2.246 -8.805 -10.909 1.00 0.00 C ATOM 669 O LYS A 46 -1.562 -7.832 -11.082 1.00 0.00 O ATOM 670 CB LYS A 46 -0.954 -10.931 -11.053 1.00 0.00 C ATOM 671 CG LYS A 46 -1.773 -11.449 -12.233 1.00 0.00 C ATOM 672 CD LYS A 46 -0.975 -12.383 -13.117 1.00 0.00 C ATOM 673 CE LYS A 46 -1.778 -12.781 -14.351 1.00 0.00 C ATOM 674 NZ LYS A 46 -3.036 -13.479 -14.017 1.00 0.00 N ATOM 0 H LYS A 46 -2.886 -11.673 -9.648 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.040 -9.634 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.078 -10.407 -11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.590 -11.781 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.655 -11.970 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.127 -10.605 -12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.048 -11.898 -13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.698 -13.275 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.007 -11.888 -14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.167 -13.426 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.375 -14.001 -14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.867 -14.145 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.753 -12.783 -13.729 1.00 0.00 H new ATOM 688 N ASP A 47 -3.457 -8.904 -11.379 1.00 0.00 N ATOM 689 CA ASP A 47 -4.058 -7.845 -12.143 1.00 0.00 C ATOM 690 C ASP A 47 -4.464 -6.728 -11.224 1.00 0.00 C ATOM 691 O ASP A 47 -4.307 -5.560 -11.551 1.00 0.00 O ATOM 692 CB ASP A 47 -5.225 -8.342 -12.970 1.00 0.00 C ATOM 693 CG ASP A 47 -4.843 -9.219 -14.138 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.510 -10.404 -13.927 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.880 -8.739 -15.298 1.00 0.00 O ATOM 0 H ASP A 47 -4.056 -9.719 -11.244 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.321 -7.464 -12.850 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.901 -8.899 -12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.779 -7.482 -13.345 1.00 0.00 H new ATOM 700 N HIS A 48 -4.969 -7.088 -10.058 1.00 0.00 N ATOM 701 CA HIS A 48 -5.268 -6.113 -9.017 1.00 0.00 C ATOM 702 C HIS A 48 -3.936 -5.429 -8.626 1.00 0.00 C ATOM 703 O HIS A 48 -3.876 -4.216 -8.427 1.00 0.00 O ATOM 704 CB HIS A 48 -5.896 -6.762 -7.765 1.00 0.00 C ATOM 705 CG HIS A 48 -7.243 -7.425 -7.882 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.405 -6.770 -8.225 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.615 -8.704 -7.619 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.415 -7.602 -8.161 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.967 -8.780 -7.798 1.00 0.00 N ATOM 0 H HIS A 48 -5.183 -8.053 -9.804 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.995 -5.398 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.193 -7.508 -7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.975 -5.990 -6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.962 -9.512 -7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.446 -7.358 -8.372 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.536 -9.617 -7.670 1.00 0.00 H new ATOM 718 N ILE A 49 -2.906 -6.235 -8.559 1.00 0.00 N ATOM 719 CA ILE A 49 -1.579 -5.811 -8.217 1.00 0.00 C ATOM 720 C ILE A 49 -0.958 -4.932 -9.289 1.00 0.00 C ATOM 721 O ILE A 49 -0.376 -3.920 -8.949 1.00 0.00 O ATOM 722 CB ILE A 49 -0.703 -6.992 -7.782 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.286 -7.583 -6.505 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.750 -6.550 -7.560 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.454 -8.664 -5.917 1.00 0.00 C ATOM 0 H ILE A 49 -2.974 -7.235 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.652 -5.165 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.695 -7.746 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.407 -6.788 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.280 -7.976 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.348 -7.408 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.152 -6.141 -8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.783 -5.787 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.930 -9.038 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.353 -9.477 -6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.533 -8.271 -5.673 1.00 0.00 H new ATOM 737 N LYS A 50 -1.117 -5.271 -10.578 1.00 0.00 N ATOM 738 CA LYS A 50 -0.633 -4.385 -11.640 1.00 0.00 C ATOM 739 C LYS A 50 -1.276 -3.001 -11.534 1.00 0.00 C ATOM 740 O LYS A 50 -0.628 -1.986 -11.803 1.00 0.00 O ATOM 741 CB LYS A 50 -0.850 -4.963 -13.039 1.00 0.00 C ATOM 742 CG LYS A 50 -0.051 -6.198 -13.371 1.00 0.00 C ATOM 743 CD LYS A 50 -0.210 -6.517 -14.837 1.00 0.00 C ATOM 744 CE LYS A 50 0.534 -7.763 -15.247 1.00 0.00 C ATOM 745 NZ LYS A 50 0.307 -8.065 -16.672 1.00 0.00 N ATOM 0 H LYS A 50 -1.565 -6.129 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 50 0.443 -4.291 -11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.908 -5.196 -13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.612 -4.191 -13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.001 -6.039 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.391 -7.038 -12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.269 -6.640 -15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.148 -5.674 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.600 -7.632 -15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.207 -8.604 -14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.829 -8.926 -16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.709 -8.212 -16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.641 -7.270 -17.253 1.00 0.00 H new ATOM 759 N VAL A 51 -2.532 -2.966 -11.102 1.00 0.00 N ATOM 760 CA VAL A 51 -3.235 -1.719 -10.893 1.00 0.00 C ATOM 761 C VAL A 51 -2.639 -0.982 -9.713 1.00 0.00 C ATOM 762 O VAL A 51 -2.285 0.188 -9.835 1.00 0.00 O ATOM 763 CB VAL A 51 -4.733 -1.892 -10.660 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.379 -0.561 -10.395 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.401 -2.602 -11.796 1.00 0.00 C ATOM 0 H VAL A 51 -3.082 -3.798 -10.890 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.116 -1.148 -11.814 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.860 -2.521 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.447 -0.701 -10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.932 -0.110 -9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.227 0.094 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.466 -2.703 -11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.264 -2.030 -12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.960 -3.591 -11.916 1.00 0.00 H new ATOM 775 N LEU A 52 -2.547 -1.647 -8.586 1.00 0.00 N ATOM 776 CA LEU A 52 -1.948 -1.075 -7.395 1.00 0.00 C ATOM 777 C LEU A 52 -0.571 -0.547 -7.679 1.00 0.00 C ATOM 778 O LEU A 52 -0.290 0.590 -7.350 1.00 0.00 O ATOM 779 CB LEU A 52 -1.895 -2.130 -6.327 1.00 0.00 C ATOM 780 CG LEU A 52 -3.244 -2.532 -5.824 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.185 -3.901 -5.248 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.714 -1.547 -4.803 1.00 0.00 C ATOM 0 H LEU A 52 -2.885 -2.602 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.556 -0.235 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.385 -3.009 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.299 -1.762 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.952 -2.540 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.172 -4.185 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.864 -4.605 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.475 -3.918 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.698 -1.843 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.011 -1.522 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.777 -0.557 -5.255 1.00 0.00 H new ATOM 794 N LEU A 53 0.260 -1.347 -8.340 1.00 0.00 N ATOM 795 CA LEU A 53 1.589 -0.936 -8.694 1.00 0.00 C ATOM 796 C LEU A 53 1.535 0.313 -9.535 1.00 0.00 C ATOM 797 O LEU A 53 2.188 1.263 -9.229 1.00 0.00 O ATOM 798 CB LEU A 53 2.319 -2.053 -9.416 1.00 0.00 C ATOM 799 CG LEU A 53 2.532 -3.322 -8.618 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.254 -4.317 -9.458 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.297 -3.047 -7.340 1.00 0.00 C ATOM 0 H LEU A 53 0.020 -2.292 -8.638 1.00 0.00 H new ATOM 0 HA LEU A 53 2.145 -0.712 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.761 -2.303 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.292 -1.679 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 53 1.559 -3.724 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.409 -5.232 -8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.663 -4.540 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.219 -3.908 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.433 -3.978 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.271 -2.623 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.738 -2.341 -6.726 1.00 0.00 H new ATOM 813 N THR A 54 0.699 0.316 -10.543 1.00 0.00 N ATOM 814 CA THR A 54 0.511 1.440 -11.372 1.00 0.00 C ATOM 815 C THR A 54 0.011 2.695 -10.634 1.00 0.00 C ATOM 816 O THR A 54 0.479 3.814 -10.887 1.00 0.00 O ATOM 817 CB THR A 54 -0.374 1.043 -12.560 1.00 0.00 C ATOM 818 OG1 THR A 54 0.286 0.079 -13.373 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.855 2.188 -13.371 1.00 0.00 C ATOM 0 H THR A 54 0.127 -0.488 -10.801 1.00 0.00 H new ATOM 0 HA THR A 54 1.488 1.747 -11.745 1.00 0.00 H new ATOM 0 HB THR A 54 -1.272 0.600 -12.130 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.120 -0.819 -13.016 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.473 1.820 -14.190 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.445 2.856 -12.743 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.001 2.731 -13.777 1.00 0.00 H new ATOM 827 N HIS A 55 -0.871 2.510 -9.693 1.00 0.00 N ATOM 828 CA HIS A 55 -1.355 3.596 -8.885 1.00 0.00 C ATOM 829 C HIS A 55 -0.279 4.084 -7.887 1.00 0.00 C ATOM 830 O HIS A 55 -0.237 5.254 -7.532 1.00 0.00 O ATOM 831 CB HIS A 55 -2.682 3.180 -8.216 1.00 0.00 C ATOM 832 CG HIS A 55 -3.310 4.239 -7.362 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.229 5.144 -7.830 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.140 4.525 -6.059 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.590 5.944 -6.859 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.945 5.594 -5.774 1.00 0.00 N ATOM 0 H HIS A 55 -1.276 1.602 -9.463 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.565 4.461 -9.515 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.390 2.891 -8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.503 2.297 -7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.491 4.008 -5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.299 6.755 -6.939 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -4.029 6.046 -4.863 1.00 0.00 H new ATOM 845 N PHE A 56 0.578 3.177 -7.459 1.00 0.00 N ATOM 846 CA PHE A 56 1.704 3.497 -6.588 1.00 0.00 C ATOM 847 C PHE A 56 2.947 3.888 -7.375 1.00 0.00 C ATOM 848 O PHE A 56 4.004 4.175 -6.806 1.00 0.00 O ATOM 849 CB PHE A 56 2.002 2.343 -5.673 1.00 0.00 C ATOM 850 CG PHE A 56 0.986 2.163 -4.607 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.745 3.184 -3.720 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.284 0.985 -4.479 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.176 3.043 -2.716 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.641 0.827 -3.473 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.868 1.862 -2.586 1.00 0.00 C ATOM 0 H PHE A 56 0.516 2.189 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 56 1.416 4.362 -5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.067 1.428 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.978 2.496 -5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.290 4.112 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.461 0.178 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.358 3.856 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.186 -0.100 -3.377 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.589 1.743 -1.791 1.00 0.00 H new ATOM 865 N LYS A 57 2.791 3.864 -8.675 1.00 0.00 N ATOM 866 CA LYS A 57 3.797 4.276 -9.668 1.00 0.00 C ATOM 867 C LYS A 57 4.994 3.313 -9.719 1.00 0.00 C ATOM 868 O LYS A 57 6.120 3.692 -10.040 1.00 0.00 O ATOM 869 CB LYS A 57 4.214 5.716 -9.424 1.00 0.00 C ATOM 870 CG LYS A 57 3.059 6.699 -9.567 1.00 0.00 C ATOM 871 CD LYS A 57 3.479 8.126 -9.285 1.00 0.00 C ATOM 872 CE LYS A 57 4.516 8.611 -10.278 1.00 0.00 C ATOM 873 NZ LYS A 57 4.883 10.007 -10.034 1.00 0.00 N ATOM 0 H LYS A 57 1.924 3.544 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 57 3.341 4.225 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.636 5.802 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.003 5.985 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.654 6.635 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.258 6.417 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.606 8.777 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.883 8.194 -8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.405 7.984 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.127 8.508 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.594 10.306 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.039 10.608 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.277 10.100 -9.076 1.00 0.00 H new ATOM 887 N ILE A 58 4.709 2.073 -9.468 1.00 0.00 N ATOM 888 CA ILE A 58 5.639 1.019 -9.501 1.00 0.00 C ATOM 889 C ILE A 58 5.423 0.249 -10.790 1.00 0.00 C ATOM 890 O ILE A 58 4.270 0.027 -11.172 1.00 0.00 O ATOM 891 CB ILE A 58 5.362 0.087 -8.336 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.442 0.880 -7.061 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.353 -1.069 -8.316 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.068 0.094 -5.888 1.00 0.00 C ATOM 0 H ILE A 58 3.767 1.767 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 58 6.657 1.403 -9.441 1.00 0.00 H new ATOM 0 HB ILE A 58 4.366 -0.343 -8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.457 1.256 -6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.788 1.749 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.133 -1.722 -7.472 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.271 -1.635 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.366 -0.678 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.143 0.715 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.043 -0.260 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.738 -0.760 -5.794 1.00 0.00 H new ATOM 906 N PRO A 59 6.481 -0.118 -11.517 1.00 0.00 N ATOM 907 CA PRO A 59 6.347 -0.930 -12.715 1.00 0.00 C ATOM 908 C PRO A 59 5.669 -2.238 -12.432 1.00 0.00 C ATOM 909 O PRO A 59 6.011 -2.959 -11.481 1.00 0.00 O ATOM 910 CB PRO A 59 7.767 -1.175 -13.156 1.00 0.00 C ATOM 911 CG PRO A 59 8.529 -0.060 -12.582 1.00 0.00 C ATOM 912 CD PRO A 59 7.878 0.246 -11.268 1.00 0.00 C ATOM 0 HA PRO A 59 5.737 -0.432 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.135 -2.135 -12.794 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.847 -1.192 -14.243 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.576 -0.331 -12.446 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.508 0.808 -13.241 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.311 -0.337 -10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.982 1.297 -10.998 1.00 0.00 H new ATOM 920 N VAL A 60 4.721 -2.549 -13.271 1.00 0.00 N ATOM 921 CA VAL A 60 3.954 -3.745 -13.184 1.00 0.00 C ATOM 922 C VAL A 60 4.772 -5.007 -13.340 1.00 0.00 C ATOM 923 O VAL A 60 4.265 -6.082 -13.155 1.00 0.00 O ATOM 924 CB VAL A 60 2.814 -3.754 -14.222 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.833 -2.657 -13.928 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.331 -3.636 -15.624 1.00 0.00 C ATOM 0 H VAL A 60 4.458 -1.954 -14.056 1.00 0.00 H new ATOM 0 HA VAL A 60 3.544 -3.745 -12.174 1.00 0.00 H new ATOM 0 HB VAL A 60 2.306 -4.715 -14.144 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.034 -2.675 -14.669 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.410 -2.804 -12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.342 -1.694 -13.967 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.494 -3.646 -16.322 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.882 -2.701 -15.731 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.994 -4.474 -15.839 1.00 0.00 H new ATOM 936 N ASP A 61 6.040 -4.878 -13.722 1.00 0.00 N ATOM 937 CA ASP A 61 6.905 -6.062 -13.856 1.00 0.00 C ATOM 938 C ASP A 61 7.227 -6.618 -12.475 1.00 0.00 C ATOM 939 O ASP A 61 7.572 -7.793 -12.314 1.00 0.00 O ATOM 940 CB ASP A 61 8.216 -5.778 -14.623 1.00 0.00 C ATOM 941 CG ASP A 61 9.259 -5.024 -13.816 1.00 0.00 C ATOM 942 OD1 ASP A 61 9.266 -3.782 -13.843 1.00 0.00 O ATOM 943 OD2 ASP A 61 10.115 -5.673 -13.162 1.00 0.00 O ATOM 0 H ASP A 61 6.490 -3.989 -13.941 1.00 0.00 H new ATOM 0 HA ASP A 61 6.351 -6.793 -14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.643 -6.725 -14.953 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.982 -5.204 -15.520 1.00 0.00 H new ATOM 948 N LYS A 62 7.031 -5.787 -11.468 1.00 0.00 N ATOM 949 CA LYS A 62 7.333 -6.138 -10.127 1.00 0.00 C ATOM 950 C LYS A 62 6.214 -6.948 -9.486 1.00 0.00 C ATOM 951 O LYS A 62 6.377 -7.474 -8.403 1.00 0.00 O ATOM 952 CB LYS A 62 7.626 -4.909 -9.332 1.00 0.00 C ATOM 953 CG LYS A 62 8.827 -4.153 -9.845 1.00 0.00 C ATOM 954 CD LYS A 62 9.292 -3.228 -8.793 1.00 0.00 C ATOM 955 CE LYS A 62 10.526 -2.438 -9.196 1.00 0.00 C ATOM 956 NZ LYS A 62 11.017 -1.580 -8.086 1.00 0.00 N ATOM 0 H LYS A 62 6.654 -4.846 -11.578 1.00 0.00 H new ATOM 0 HA LYS A 62 8.219 -6.773 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.755 -4.254 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.794 -5.186 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.623 -4.847 -10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.567 -3.599 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.488 -2.534 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.511 -3.796 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.315 -3.126 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.294 -1.817 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.860 -1.057 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.273 -0.907 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.262 -2.175 -7.269 1.00 0.00 H new ATOM 970 N VAL A 63 5.066 -7.019 -10.187 1.00 0.00 N ATOM 971 CA VAL A 63 3.834 -7.809 -9.828 1.00 0.00 C ATOM 972 C VAL A 63 4.209 -9.234 -9.393 1.00 0.00 C ATOM 973 O VAL A 63 3.573 -9.840 -8.529 1.00 0.00 O ATOM 974 CB VAL A 63 2.963 -7.827 -11.120 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.377 -8.825 -12.196 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.521 -7.995 -10.774 1.00 0.00 C ATOM 0 H VAL A 63 4.949 -6.509 -11.063 1.00 0.00 H new ATOM 0 HA VAL A 63 3.297 -7.366 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 63 3.138 -6.853 -11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.699 -8.746 -13.046 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.394 -8.608 -12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.334 -9.836 -11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.926 -8.006 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.382 -8.935 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.200 -7.167 -10.142 1.00 0.00 H new ATOM 986 N SER A 64 5.274 -9.702 -9.989 1.00 0.00 N ATOM 987 CA SER A 64 5.906 -10.956 -9.715 1.00 0.00 C ATOM 988 C SER A 64 6.256 -11.083 -8.230 1.00 0.00 C ATOM 989 O SER A 64 5.960 -12.089 -7.580 1.00 0.00 O ATOM 990 CB SER A 64 7.222 -10.935 -10.481 1.00 0.00 C ATOM 991 OG SER A 64 6.969 -10.688 -11.856 1.00 0.00 O ATOM 0 H SER A 64 5.750 -9.180 -10.725 1.00 0.00 H new ATOM 0 HA SER A 64 5.245 -11.776 -9.995 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.877 -10.163 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.739 -11.887 -10.361 1.00 0.00 H new ATOM 0 HG SER A 64 7.151 -9.747 -12.058 1.00 0.00 H new ATOM 997 N SER A 65 6.826 -10.032 -7.705 1.00 0.00 N ATOM 998 CA SER A 65 7.343 -10.003 -6.389 1.00 0.00 C ATOM 999 C SER A 65 6.347 -9.369 -5.438 1.00 0.00 C ATOM 1000 O SER A 65 6.585 -9.307 -4.255 1.00 0.00 O ATOM 1001 CB SER A 65 8.671 -9.216 -6.366 1.00 0.00 C ATOM 1002 OG SER A 65 9.357 -9.337 -5.128 1.00 0.00 O ATOM 0 H SER A 65 6.940 -9.152 -8.208 1.00 0.00 H new ATOM 0 HA SER A 65 7.526 -11.027 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.315 -9.573 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.469 -8.163 -6.563 1.00 0.00 H new ATOM 0 HG SER A 65 8.707 -9.370 -4.396 1.00 0.00 H new ATOM 1008 N TYR A 66 5.208 -8.963 -5.925 1.00 0.00 N ATOM 1009 CA TYR A 66 4.293 -8.275 -5.077 1.00 0.00 C ATOM 1010 C TYR A 66 3.181 -9.150 -4.663 1.00 0.00 C ATOM 1011 O TYR A 66 2.635 -9.915 -5.468 1.00 0.00 O ATOM 1012 CB TYR A 66 3.799 -6.975 -5.660 1.00 0.00 C ATOM 1013 CG TYR A 66 4.691 -5.814 -5.339 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.768 -5.481 -6.128 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.446 -5.055 -4.221 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.575 -4.415 -5.805 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.231 -3.997 -3.884 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.293 -3.667 -4.669 1.00 0.00 C ATOM 1019 OH TYR A 66 7.091 -2.596 -4.309 1.00 0.00 O ATOM 0 H TYR A 66 4.900 -9.096 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 66 4.854 -8.002 -4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.718 -7.076 -6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.797 -6.771 -5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.982 -6.064 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.605 -5.306 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.420 -4.162 -6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.013 -3.421 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 66 7.000 -2.429 -3.348 1.00 0.00 H new ATOM 1029 N ALA A 67 2.856 -9.051 -3.420 1.00 0.00 N ATOM 1030 CA ALA A 67 1.870 -9.854 -2.821 1.00 0.00 C ATOM 1031 C ALA A 67 1.140 -9.062 -1.788 1.00 0.00 C ATOM 1032 O ALA A 67 1.718 -8.185 -1.140 1.00 0.00 O ATOM 1033 CB ALA A 67 2.502 -11.054 -2.166 1.00 0.00 C ATOM 0 H ALA A 67 3.288 -8.385 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 67 1.176 -10.189 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.727 -11.667 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.032 -11.641 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.205 -10.723 -1.401 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.115 -9.344 -1.671 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.949 -8.766 -0.668 1.00 0.00 C ATOM 1041 C LEU A 68 -0.745 -9.557 0.604 1.00 0.00 C ATOM 1042 O LEU A 68 -0.879 -10.765 0.591 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.400 -8.898 -1.122 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.750 -8.225 -2.456 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.158 -8.581 -2.862 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.599 -6.710 -2.358 1.00 0.00 C ATOM 0 H LEU A 68 -0.601 -9.998 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.710 -7.715 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.641 -9.958 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.042 -8.480 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.057 -8.589 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.396 -8.098 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.242 -9.662 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.855 -8.240 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.853 -6.256 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.267 -6.327 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.569 -6.463 -2.101 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.380 -8.919 1.654 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.138 -9.616 2.895 1.00 0.00 C ATOM 1060 C GLN A 69 -1.212 -9.250 3.904 1.00 0.00 C ATOM 1061 O GLN A 69 -1.770 -8.142 3.859 1.00 0.00 O ATOM 1062 CB GLN A 69 1.244 -9.254 3.461 1.00 0.00 C ATOM 1063 CG GLN A 69 1.694 -10.114 4.637 1.00 0.00 C ATOM 1064 CD GLN A 69 2.880 -9.538 5.380 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.053 -8.331 5.455 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.701 -10.391 5.930 1.00 0.00 N ATOM 0 H GLN A 69 -0.237 -7.910 1.695 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.165 -10.688 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.982 -9.338 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.231 -8.210 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.862 -10.232 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.950 -11.109 4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.526 -11.393 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.517 -10.056 6.442 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.522 -10.189 4.760 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.443 -9.998 5.856 1.00 0.00 C ATOM 1077 C ASN A 70 -1.685 -9.346 6.999 1.00 0.00 C ATOM 1078 O ASN A 70 -0.648 -9.859 7.421 1.00 0.00 O ATOM 1079 CB ASN A 70 -2.988 -11.364 6.307 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.053 -11.314 7.423 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -4.019 -10.477 8.326 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -4.977 -12.228 7.376 1.00 0.00 N ATOM 0 H ASN A 70 -1.133 -11.131 4.715 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.278 -9.368 5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.416 -11.869 5.441 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.153 -11.974 6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.697 -12.263 8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.982 -12.909 6.617 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.187 -8.227 7.518 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.538 -7.475 8.596 1.00 0.00 C ATOM 1091 C PRO A 71 -1.353 -8.253 9.901 1.00 0.00 C ATOM 1092 O PRO A 71 -0.468 -7.923 10.700 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.493 -6.317 8.847 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.791 -6.734 8.253 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.438 -7.580 7.083 1.00 0.00 C ATOM 0 HA PRO A 71 -0.528 -7.198 8.296 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.596 -6.118 9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.127 -5.400 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.391 -7.290 8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.379 -5.869 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.216 -8.310 6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.294 -6.985 6.181 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.151 -9.271 10.137 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.056 -9.932 11.399 1.00 0.00 C ATOM 1105 C PHE A 72 -1.345 -11.237 11.316 1.00 0.00 C ATOM 1106 O PHE A 72 -0.447 -11.517 12.094 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.418 -10.118 12.040 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.138 -8.823 12.249 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.818 -7.998 13.309 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.116 -8.416 11.361 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.466 -6.794 13.483 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.761 -7.214 11.526 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.440 -6.401 12.589 1.00 0.00 C ATOM 0 H PHE A 72 -2.847 -9.642 9.490 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.460 -9.275 12.032 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.025 -10.770 11.412 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.298 -10.622 12.999 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.052 -8.299 14.009 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.376 -9.051 10.527 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.211 -6.159 14.319 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.520 -6.907 10.821 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.949 -5.458 12.723 1.00 0.00 H new ATOM 1123 N THR A 73 -1.701 -12.000 10.353 1.00 0.00 N ATOM 1124 CA THR A 73 -1.186 -13.344 10.220 1.00 0.00 C ATOM 1125 C THR A 73 0.100 -13.343 9.430 1.00 0.00 C ATOM 1126 O THR A 73 0.848 -14.325 9.437 1.00 0.00 O ATOM 1127 CB THR A 73 -2.192 -14.215 9.508 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.344 -13.735 8.164 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.528 -14.137 10.206 1.00 0.00 C ATOM 0 H THR A 73 -2.359 -11.727 9.623 1.00 0.00 H new ATOM 0 HA THR A 73 -0.997 -13.735 11.220 1.00 0.00 H new ATOM 0 HB THR A 73 -1.844 -15.248 9.510 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.994 -14.293 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.248 -14.769 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.421 -14.480 11.235 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.881 -13.106 10.202 1.00 0.00 H new ATOM 1137 N LEU A 74 0.330 -12.244 8.722 1.00 0.00 N ATOM 1138 CA LEU A 74 1.501 -12.039 7.897 1.00 0.00 C ATOM 1139 C LEU A 74 1.518 -12.992 6.720 1.00 0.00 C ATOM 1140 O LEU A 74 2.543 -13.173 6.055 1.00 0.00 O ATOM 1141 CB LEU A 74 2.787 -12.109 8.716 1.00 0.00 C ATOM 1142 CG LEU A 74 2.846 -11.187 9.906 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.248 -11.036 10.374 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.195 -9.845 9.637 1.00 0.00 C ATOM 0 H LEU A 74 -0.314 -11.453 8.710 1.00 0.00 H new ATOM 0 HA LEU A 74 1.446 -11.029 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.921 -13.133 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.628 -11.883 8.060 1.00 0.00 H new ATOM 0 HG LEU A 74 2.264 -11.646 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.274 -10.367 11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.643 -12.011 10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.857 -10.619 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.266 -9.221 10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.704 -9.353 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.146 -9.994 9.382 1.00 0.00 H new ATOM 1156 N ALA A 75 0.358 -13.550 6.425 1.00 0.00 N ATOM 1157 CA ALA A 75 0.217 -14.450 5.331 1.00 0.00 C ATOM 1158 C ALA A 75 0.057 -13.687 4.053 1.00 0.00 C ATOM 1159 O ALA A 75 -0.661 -12.683 3.997 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.978 -15.348 5.537 1.00 0.00 C ATOM 0 H ALA A 75 -0.503 -13.382 6.946 1.00 0.00 H new ATOM 0 HA ALA A 75 1.116 -15.064 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.071 -16.030 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.847 -15.923 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.880 -14.741 5.615 1.00 0.00 H new ATOM 1166 N TYR A 76 0.702 -14.147 3.052 1.00 0.00 N ATOM 1167 CA TYR A 76 0.657 -13.534 1.770 1.00 0.00 C ATOM 1168 C TYR A 76 -0.356 -14.208 0.917 1.00 0.00 C ATOM 1169 O TYR A 76 -0.563 -15.418 1.021 1.00 0.00 O ATOM 1170 CB TYR A 76 1.996 -13.612 1.092 1.00 0.00 C ATOM 1171 CG TYR A 76 3.026 -12.734 1.695 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.803 -13.157 2.745 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.236 -11.485 1.181 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.779 -12.343 3.264 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.188 -10.655 1.675 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.974 -11.090 2.727 1.00 0.00 C ATOM 1177 OH TYR A 76 5.953 -10.284 3.239 1.00 0.00 O ATOM 0 H TYR A 76 1.291 -14.979 3.095 1.00 0.00 H new ATOM 0 HA TYR A 76 0.388 -12.487 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.348 -14.643 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.876 -13.347 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.645 -14.139 3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.625 -11.149 0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.390 -12.683 4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.330 -9.671 1.254 1.00 0.00 H new ATOM 0 HH TYR A 76 6.683 -10.837 3.588 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.009 -13.439 0.118 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.909 -13.945 -0.846 1.00 0.00 C ATOM 1189 C VAL A 77 -1.075 -14.411 -2.017 1.00 0.00 C ATOM 1190 O VAL A 77 -0.572 -13.608 -2.802 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.929 -12.863 -1.291 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.894 -13.406 -2.336 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.692 -12.327 -0.082 1.00 0.00 C ATOM 0 H VAL A 77 -0.928 -12.422 0.120 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.493 -14.766 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.374 -12.044 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.595 -12.623 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.335 -13.735 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.445 -14.250 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.404 -11.569 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.228 -13.144 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.990 -11.885 0.625 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.897 -15.697 -2.087 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.078 -16.337 -3.083 1.00 0.00 C ATOM 1205 C GLU A 78 -0.981 -17.031 -4.073 1.00 0.00 C ATOM 1206 O GLU A 78 -0.575 -17.878 -4.877 1.00 0.00 O ATOM 1207 CB GLU A 78 0.827 -17.301 -2.374 1.00 0.00 C ATOM 1208 CG GLU A 78 1.779 -16.573 -1.419 1.00 0.00 C ATOM 1209 CD GLU A 78 2.758 -17.464 -0.725 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.336 -18.268 0.126 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.975 -17.362 -1.007 1.00 0.00 O ATOM 0 H GLU A 78 -1.329 -16.352 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 78 0.534 -15.623 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.229 -18.021 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.405 -17.866 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.328 -15.817 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.189 -16.047 -0.668 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.229 -16.653 -3.970 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.300 -17.081 -4.790 1.00 0.00 C ATOM 1220 C ASP A 79 -3.239 -16.393 -6.106 1.00 0.00 C ATOM 1221 O ASP A 79 -2.624 -15.328 -6.245 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.646 -16.669 -4.151 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.880 -17.237 -2.769 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.378 -16.669 -1.781 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.581 -18.275 -2.639 1.00 0.00 O ATOM 0 H ASP A 79 -2.530 -15.990 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.224 -18.162 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.691 -15.581 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.458 -16.989 -4.804 1.00 0.00 H new ATOM 1230 N SER A 80 -3.862 -16.991 -7.047 1.00 0.00 N ATOM 1231 CA SER A 80 -4.016 -16.462 -8.346 1.00 0.00 C ATOM 1232 C SER A 80 -5.215 -15.536 -8.385 1.00 0.00 C ATOM 1233 O SER A 80 -5.216 -14.499 -9.045 1.00 0.00 O ATOM 1234 CB SER A 80 -4.214 -17.590 -9.295 1.00 0.00 C ATOM 1235 OG SER A 80 -3.093 -18.473 -9.308 1.00 0.00 O ATOM 0 H SER A 80 -4.299 -17.905 -6.928 1.00 0.00 H new ATOM 0 HA SER A 80 -3.129 -15.894 -8.625 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.111 -18.145 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.379 -17.197 -10.298 1.00 0.00 H new ATOM 0 HG SER A 80 -3.259 -19.203 -9.941 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.235 -15.917 -7.676 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.431 -15.163 -7.567 1.00 0.00 C ATOM 1243 C PHE A 81 -7.806 -14.998 -6.113 1.00 0.00 C ATOM 1244 O PHE A 81 -7.424 -15.798 -5.260 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.547 -15.838 -8.304 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.484 -15.750 -9.793 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.604 -16.535 -10.504 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.308 -14.880 -10.481 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.541 -16.459 -11.877 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.253 -14.800 -11.853 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.369 -15.589 -12.553 1.00 0.00 C ATOM 0 H PHE A 81 -6.251 -16.788 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.263 -14.181 -8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.561 -16.890 -8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.491 -15.406 -7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.955 -17.219 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.002 -14.257 -9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.845 -17.079 -12.423 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.903 -14.118 -12.381 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.324 -15.527 -13.630 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.540 -13.968 -5.848 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.010 -13.662 -4.527 1.00 0.00 C ATOM 1263 C LEU A 82 -10.337 -14.297 -4.294 1.00 0.00 C ATOM 1264 O LEU A 82 -11.137 -14.464 -5.218 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.140 -12.160 -4.360 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.852 -11.447 -3.963 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.066 -9.950 -3.885 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.353 -11.989 -2.620 1.00 0.00 C ATOM 0 H LEU A 82 -8.839 -13.298 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.292 -14.050 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.501 -11.734 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.899 -11.957 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.098 -11.638 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.133 -9.463 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.387 -9.577 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.832 -9.730 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.432 -11.477 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.110 -11.818 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.161 -13.058 -2.708 1.00 0.00 H new ATOM 1280 N THR A 83 -10.561 -14.671 -3.093 1.00 0.00 N ATOM 1281 CA THR A 83 -11.802 -15.200 -2.716 1.00 0.00 C ATOM 1282 C THR A 83 -12.599 -14.081 -2.055 1.00 0.00 C ATOM 1283 O THR A 83 -11.994 -13.144 -1.503 1.00 0.00 O ATOM 1284 CB THR A 83 -11.601 -16.371 -1.734 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.817 -15.930 -0.616 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.891 -17.527 -2.415 1.00 0.00 C ATOM 0 H THR A 83 -9.876 -14.616 -2.339 1.00 0.00 H new ATOM 0 HA THR A 83 -12.337 -15.582 -3.585 1.00 0.00 H new ATOM 0 HB THR A 83 -12.580 -16.709 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.691 -16.674 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.759 -18.343 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.487 -17.874 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.916 -17.196 -2.772 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.942 -14.107 -2.131 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.787 -13.126 -1.432 1.00 0.00 C ATOM 1296 C PRO A 84 -14.479 -13.144 0.064 1.00 0.00 C ATOM 1297 O PRO A 84 -14.504 -12.118 0.727 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.219 -13.607 -1.705 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.080 -14.991 -2.256 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.741 -15.044 -2.926 1.00 0.00 C ATOM 0 HA PRO A 84 -14.625 -12.102 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.814 -13.607 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.724 -12.952 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.147 -15.734 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.879 -15.209 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.320 -16.049 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.799 -14.740 -3.971 1.00 0.00 H new ATOM 1308 N GLU A 85 -14.152 -14.325 0.561 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.732 -14.523 1.921 1.00 0.00 C ATOM 1310 C GLU A 85 -12.479 -13.709 2.231 1.00 0.00 C ATOM 1311 O GLU A 85 -12.439 -13.012 3.225 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.509 -16.002 2.170 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.753 -16.827 1.922 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.546 -18.284 2.164 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -14.622 -18.718 3.320 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.307 -19.035 1.191 1.00 0.00 O ATOM 0 H GLU A 85 -14.174 -15.184 0.012 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.515 -14.170 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.706 -16.359 1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.180 -16.148 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.555 -16.468 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.081 -16.679 0.893 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.475 -13.775 1.345 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.268 -12.980 1.506 1.00 0.00 C ATOM 1325 C ARG A 86 -10.559 -11.501 1.487 1.00 0.00 C ATOM 1326 O ARG A 86 -9.918 -10.742 2.196 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.203 -13.304 0.475 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.305 -14.486 0.803 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.689 -14.366 2.203 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.083 -13.043 2.474 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.948 -12.504 3.717 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -7.269 -13.222 4.802 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -6.468 -11.265 3.862 1.00 0.00 N ATOM 0 H ARG A 86 -11.482 -14.370 0.517 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.876 -13.250 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.694 -13.498 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.577 -12.423 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.881 -15.409 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.509 -14.554 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.460 -14.562 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.927 -15.136 2.323 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.745 -12.501 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.616 -14.176 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.167 -12.815 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.202 -10.722 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.368 -10.863 4.794 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.512 -11.108 0.674 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.943 -9.739 0.601 1.00 0.00 C ATOM 1349 C LEU A 87 -12.559 -9.302 1.926 1.00 0.00 C ATOM 1350 O LEU A 87 -12.183 -8.280 2.490 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.957 -9.577 -0.522 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.490 -9.897 -1.919 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.587 -9.580 -2.920 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.252 -9.116 -2.223 1.00 0.00 C ATOM 0 H LEU A 87 -12.010 -11.736 0.043 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.077 -9.110 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.814 -10.212 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.312 -8.546 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.260 -10.960 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.240 -9.814 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.471 -10.176 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.839 -8.521 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.915 -9.348 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.467 -8.050 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.471 -9.380 -1.510 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.477 -10.100 2.419 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.146 -9.860 3.652 1.00 0.00 C ATOM 1368 C VAL A 88 -13.213 -9.849 4.841 1.00 0.00 C ATOM 1369 O VAL A 88 -13.292 -8.965 5.714 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.342 -10.821 3.786 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.835 -10.805 5.168 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.471 -10.563 2.823 1.00 0.00 C ATOM 0 H VAL A 88 -13.779 -10.955 1.952 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.547 -8.847 3.643 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.964 -11.809 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.681 -11.486 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.039 -11.122 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.151 -9.795 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.267 -11.288 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.859 -9.556 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.106 -10.658 1.800 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.319 -10.793 4.854 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.251 -10.850 5.827 1.00 0.00 C ATOM 1384 C GLU A 89 -10.391 -9.584 5.764 1.00 0.00 C ATOM 1385 O GLU A 89 -9.877 -9.116 6.770 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.423 -12.079 5.580 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.040 -13.387 6.024 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.206 -13.445 7.503 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -10.207 -13.647 8.207 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.328 -13.261 8.003 1.00 0.00 O ATOM 0 H GLU A 89 -12.305 -11.560 4.182 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.677 -10.905 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.210 -12.143 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.467 -11.959 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.010 -13.513 5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.412 -14.215 5.696 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.258 -9.037 4.578 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.454 -7.847 4.359 1.00 0.00 C ATOM 1399 C ALA A 90 -10.166 -6.551 4.742 1.00 0.00 C ATOM 1400 O ALA A 90 -9.529 -5.685 5.344 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.922 -7.783 2.955 1.00 0.00 C ATOM 0 H ALA A 90 -10.702 -9.401 3.735 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.606 -7.939 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.326 -6.878 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.299 -8.656 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.754 -7.768 2.251 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.482 -6.395 4.398 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.232 -5.190 4.782 1.00 0.00 C ATOM 1409 C GLU A 91 -12.151 -4.869 6.261 1.00 0.00 C ATOM 1410 O GLU A 91 -12.324 -3.711 6.674 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.668 -5.246 4.367 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.904 -4.925 2.921 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.269 -4.331 2.680 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.284 -5.055 2.653 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.359 -3.090 2.546 1.00 0.00 O ATOM 0 H GLU A 91 -12.021 -7.080 3.868 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.738 -4.386 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.056 -6.244 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.239 -4.549 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.141 -4.227 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.796 -5.833 2.328 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.910 -5.897 7.042 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.683 -5.804 8.466 1.00 0.00 C ATOM 1424 C LYS A 92 -10.572 -4.811 8.812 1.00 0.00 C ATOM 1425 O LYS A 92 -10.640 -4.120 9.827 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.310 -7.160 8.927 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.491 -8.079 8.832 1.00 0.00 C ATOM 1428 CD LYS A 92 -12.169 -9.392 9.387 1.00 0.00 C ATOM 1429 CE LYS A 92 -13.380 -10.299 9.369 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.086 -11.625 9.926 1.00 0.00 N ATOM 0 H LYS A 92 -11.865 -6.854 6.691 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.585 -5.440 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.490 -7.546 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.954 -7.118 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.337 -7.649 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.794 -8.183 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.362 -9.846 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.809 -9.280 10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.186 -9.838 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.736 -10.408 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.130 -12.337 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.134 -11.623 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.786 -11.856 10.660 1.00 0.00 H new ATOM 1444 N SER A 93 -9.543 -4.759 7.987 1.00 0.00 N ATOM 1445 CA SER A 93 -8.459 -3.833 8.190 1.00 0.00 C ATOM 1446 C SER A 93 -7.857 -3.254 6.883 1.00 0.00 C ATOM 1447 O SER A 93 -8.239 -2.161 6.445 1.00 0.00 O ATOM 1448 CB SER A 93 -7.421 -4.420 9.113 1.00 0.00 C ATOM 1449 OG SER A 93 -7.987 -4.677 10.403 1.00 0.00 O ATOM 0 H SER A 93 -9.441 -5.355 7.165 1.00 0.00 H new ATOM 0 HA SER A 93 -8.888 -2.960 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.030 -5.345 8.690 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.580 -3.733 9.208 1.00 0.00 H new ATOM 0 HG SER A 93 -8.922 -4.385 10.414 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.964 -3.979 6.268 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.271 -3.553 5.048 1.00 0.00 C ATOM 1457 C TYR A 94 -5.571 -4.765 4.413 1.00 0.00 C ATOM 1458 O TYR A 94 -5.648 -5.892 4.928 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.120 -2.511 5.310 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.057 -2.744 6.335 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.388 -3.037 7.616 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.714 -2.568 6.021 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.433 -3.170 8.591 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.749 -2.708 6.981 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.108 -3.010 8.262 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.141 -3.149 9.223 1.00 0.00 O ATOM 0 H TYR A 94 -6.681 -4.903 6.594 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.039 -3.104 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.611 -2.360 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.603 -1.568 5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.428 -3.169 7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.430 -2.318 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.719 -3.398 9.607 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.707 -2.580 6.726 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.258 -3.005 8.822 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.888 -4.507 3.318 1.00 0.00 N ATOM 1477 CA PHE A 95 -3.959 -5.441 2.679 1.00 0.00 C ATOM 1478 C PHE A 95 -2.605 -4.788 2.685 1.00 0.00 C ATOM 1479 O PHE A 95 -2.528 -3.574 2.641 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.314 -5.727 1.213 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.217 -6.893 0.965 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.855 -8.158 1.400 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.389 -6.744 0.246 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.650 -9.253 1.127 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.194 -7.835 -0.026 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.823 -9.093 0.414 1.00 0.00 C ATOM 0 H PHE A 95 -4.960 -3.617 2.826 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.996 -6.383 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.783 -4.836 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.388 -5.889 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.940 -8.289 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.679 -5.765 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.356 -10.234 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.111 -7.705 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.448 -9.947 0.201 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.548 -5.549 2.777 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.221 -4.959 2.695 1.00 0.00 C ATOM 1498 C ILE A 96 0.488 -5.465 1.443 1.00 0.00 C ATOM 1499 O ILE A 96 0.949 -6.585 1.399 1.00 0.00 O ATOM 1500 CB ILE A 96 0.652 -5.249 3.907 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.128 -5.020 5.187 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.875 -4.335 3.872 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.701 -5.164 6.425 1.00 0.00 C ATOM 0 H ILE A 96 -1.567 -6.561 2.906 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.368 -3.880 2.658 1.00 0.00 H new ATOM 0 HB ILE A 96 0.971 -6.291 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.563 -4.021 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.957 -5.727 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.505 -4.537 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.442 -4.520 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.552 -3.294 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.079 -4.987 7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.114 -6.172 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.514 -4.439 6.405 1.00 0.00 H new ATOM 1515 N LEU A 97 0.496 -4.655 0.434 1.00 0.00 N ATOM 1516 CA LEU A 97 1.117 -4.966 -0.831 1.00 0.00 C ATOM 1517 C LEU A 97 2.624 -4.760 -0.696 1.00 0.00 C ATOM 1518 O LEU A 97 3.121 -3.634 -0.637 1.00 0.00 O ATOM 1519 CB LEU A 97 0.496 -4.028 -1.893 1.00 0.00 C ATOM 1520 CG LEU A 97 0.513 -4.428 -3.387 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.383 -3.523 -4.216 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.874 -5.884 -3.584 1.00 0.00 C ATOM 0 H LEU A 97 0.062 -3.732 0.459 1.00 0.00 H new ATOM 0 HA LEU A 97 0.949 -6.000 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.545 -3.867 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.001 -3.066 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.508 -4.299 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.359 -3.848 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.014 -2.500 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.408 -3.564 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.873 -6.118 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.865 -6.072 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.144 -6.512 -3.074 1.00 0.00 H new ATOM 1534 N ARG A 98 3.333 -5.855 -0.576 1.00 0.00 N ATOM 1535 CA ARG A 98 4.766 -5.810 -0.347 1.00 0.00 C ATOM 1536 C ARG A 98 5.462 -6.629 -1.371 1.00 0.00 C ATOM 1537 O ARG A 98 4.838 -7.471 -2.033 1.00 0.00 O ATOM 1538 CB ARG A 98 5.144 -6.470 0.975 1.00 0.00 C ATOM 1539 CG ARG A 98 4.231 -6.222 2.126 1.00 0.00 C ATOM 1540 CD ARG A 98 4.786 -6.859 3.371 1.00 0.00 C ATOM 1541 NE ARG A 98 6.014 -6.182 3.828 1.00 0.00 N ATOM 1542 CZ ARG A 98 7.144 -6.797 4.213 1.00 0.00 C ATOM 1543 NH1 ARG A 98 7.222 -8.115 4.210 1.00 0.00 N ATOM 1544 NH2 ARG A 98 8.193 -6.080 4.598 1.00 0.00 N ATOM 0 H ARG A 98 2.944 -6.796 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 98 5.046 -4.757 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.205 -7.546 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.142 -6.132 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.109 -5.150 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.242 -6.627 1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.037 -6.826 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.000 -7.910 3.178 1.00 0.00 H new ATOM 0 HE ARG A 98 6.004 -5.162 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.421 -8.673 3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.083 -8.576 4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.141 -5.061 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.051 -6.548 4.890 1.00 0.00 H new ATOM 1558 N MET A 99 6.744 -6.393 -1.502 1.00 0.00 N ATOM 1559 CA MET A 99 7.565 -7.270 -2.231 1.00 0.00 C ATOM 1560 C MET A 99 7.830 -8.438 -1.318 1.00 0.00 C ATOM 1561 O MET A 99 8.128 -8.243 -0.130 1.00 0.00 O ATOM 1562 CB MET A 99 8.894 -6.644 -2.599 1.00 0.00 C ATOM 1563 CG MET A 99 8.795 -5.349 -3.335 1.00 0.00 C ATOM 1564 SD MET A 99 10.306 -4.895 -4.206 1.00 0.00 S ATOM 1565 CE MET A 99 10.231 -6.012 -5.608 1.00 0.00 C ATOM 0 H MET A 99 7.226 -5.588 -1.102 1.00 0.00 H new ATOM 0 HA MET A 99 7.070 -7.546 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.469 -6.484 -1.687 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.456 -7.351 -3.210 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.977 -5.410 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.541 -4.558 -2.629 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.948 -5.695 -6.365 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.472 -7.023 -5.281 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.227 -5.997 -6.031 1.00 0.00 H new