USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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 4 THR OG1 : rot -83:sc= 0.765 USER MOD Set 1.2: A 7 THR OG1 : rot 130:sc= 0.577 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.686 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 69:sc= 0.982 USER MOD Single : A 31 MET CE :methyl 180:sc= -0.0654 (180deg=-0.0654) USER MOD Single : A 35 SER OG : rot -140:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.72! C(o=-1.7!,f=-9.3!) USER MOD Single : A 50 HIS : no HD1:sc= -4.31 K(o=-4.3,f=-2.6) USER MOD Single : A 53 THR OG1 : rot -115:sc= 0.928 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.563 -15.498 -9.065 1.00 0.00 N ATOM 38 CA TYR A 3 -15.055 -14.519 -8.119 1.00 0.00 C ATOM 39 C TYR A 3 -15.554 -14.845 -6.720 1.00 0.00 C ATOM 40 O TYR A 3 -16.722 -15.189 -6.534 1.00 0.00 O ATOM 41 CB TYR A 3 -15.534 -13.127 -8.525 1.00 0.00 C ATOM 42 CG TYR A 3 -15.168 -12.878 -9.969 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.991 -13.372 -10.989 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.016 -12.153 -10.291 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.663 -13.141 -12.329 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.688 -11.925 -11.631 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.511 -12.417 -12.650 1.00 0.00 C ATOM 48 OH TYR A 3 -14.187 -12.189 -13.971 1.00 0.00 O ATOM 0 HA TYR A 3 -13.965 -14.545 -8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.613 -13.047 -8.392 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.077 -12.371 -7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.880 -13.932 -10.740 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.381 -11.770 -9.506 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.299 -13.521 -13.115 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.797 -11.368 -11.880 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.357 -11.670 -14.019 1.00 0.00 H new ATOM 58 N THR A 4 -14.665 -14.750 -5.737 1.00 0.00 N ATOM 59 CA THR A 4 -15.029 -15.057 -4.352 1.00 0.00 C ATOM 60 C THR A 4 -14.318 -14.095 -3.394 1.00 0.00 C ATOM 61 O THR A 4 -13.272 -13.537 -3.730 1.00 0.00 O ATOM 62 CB THR A 4 -14.651 -16.523 -4.013 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.582 -16.539 -3.075 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.214 -17.270 -5.280 1.00 0.00 C ATOM 0 H THR A 4 -13.694 -14.466 -5.868 1.00 0.00 H new ATOM 0 HA THR A 4 -16.106 -14.936 -4.237 1.00 0.00 H new ATOM 0 HB THR A 4 -15.526 -17.016 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.730 -16.434 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.952 -18.297 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.031 -17.272 -6.001 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.348 -16.772 -5.715 1.00 0.00 H new ATOM 72 N PRO A 5 -14.861 -13.893 -2.218 1.00 0.00 N ATOM 73 CA PRO A 5 -14.259 -12.979 -1.199 1.00 0.00 C ATOM 74 C PRO A 5 -12.910 -13.486 -0.688 1.00 0.00 C ATOM 75 O PRO A 5 -12.093 -12.704 -0.205 1.00 0.00 O ATOM 76 CB PRO A 5 -15.309 -12.945 -0.071 1.00 0.00 C ATOM 77 CG PRO A 5 -16.084 -14.215 -0.227 1.00 0.00 C ATOM 78 CD PRO A 5 -16.102 -14.514 -1.726 1.00 0.00 C ATOM 0 HA PRO A 5 -14.043 -11.993 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.834 -12.890 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.957 -12.073 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.616 -15.028 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.096 -14.105 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.118 -15.586 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.982 -14.089 -2.209 1.00 0.00 H new ATOM 86 N ASP A 6 -12.681 -14.796 -0.798 1.00 0.00 N ATOM 87 CA ASP A 6 -11.424 -15.388 -0.343 1.00 0.00 C ATOM 88 C ASP A 6 -10.927 -16.408 -1.356 1.00 0.00 C ATOM 89 O ASP A 6 -11.316 -17.575 -1.314 1.00 0.00 O ATOM 90 CB ASP A 6 -11.635 -16.073 1.009 1.00 0.00 C ATOM 91 CG ASP A 6 -11.812 -15.025 2.102 1.00 0.00 C ATOM 92 OD1 ASP A 6 -11.458 -13.882 1.864 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.297 -15.381 3.164 1.00 0.00 O ATOM 0 H ASP A 6 -13.344 -15.462 -1.195 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.681 -14.598 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.513 -16.718 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.782 -16.711 1.240 1.00 0.00 H new ATOM 98 N THR A 7 -10.065 -15.965 -2.265 1.00 0.00 N ATOM 99 CA THR A 7 -9.522 -16.858 -3.288 1.00 0.00 C ATOM 100 C THR A 7 -8.040 -16.566 -3.502 1.00 0.00 C ATOM 101 O THR A 7 -7.646 -15.414 -3.679 1.00 0.00 O ATOM 102 CB THR A 7 -10.303 -16.657 -4.604 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.597 -16.161 -4.300 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.451 -17.986 -5.348 1.00 0.00 C ATOM 0 H THR A 7 -9.729 -15.003 -2.317 1.00 0.00 H new ATOM 0 HA THR A 7 -9.627 -17.893 -2.962 1.00 0.00 H new ATOM 0 HB THR A 7 -9.758 -15.953 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.783 -15.373 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.004 -17.825 -6.273 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.464 -18.385 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.991 -18.696 -4.721 1.00 0.00 H new ATOM 112 N ALA A 8 -7.224 -17.614 -3.501 1.00 0.00 N ATOM 113 CA ALA A 8 -5.788 -17.452 -3.713 1.00 0.00 C ATOM 114 C ALA A 8 -5.479 -17.599 -5.194 1.00 0.00 C ATOM 115 O ALA A 8 -5.442 -18.708 -5.723 1.00 0.00 O ATOM 116 CB ALA A 8 -5.021 -18.514 -2.923 1.00 0.00 C ATOM 0 H ALA A 8 -7.527 -18.577 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.483 -16.463 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.951 -18.387 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.241 -18.407 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.324 -19.506 -3.258 1.00 0.00 H new ATOM 122 N TRP A 9 -5.275 -16.466 -5.866 1.00 0.00 N ATOM 123 CA TRP A 9 -4.990 -16.468 -7.303 1.00 0.00 C ATOM 124 C TRP A 9 -3.502 -16.236 -7.542 1.00 0.00 C ATOM 125 O TRP A 9 -2.866 -15.447 -6.844 1.00 0.00 O ATOM 126 CB TRP A 9 -5.803 -15.369 -8.009 1.00 0.00 C ATOM 127 CG TRP A 9 -7.221 -15.818 -8.231 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.852 -16.794 -7.540 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.191 -15.322 -9.203 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.138 -16.928 -8.018 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.398 -16.045 -9.042 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.145 -14.326 -10.197 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.516 -15.792 -9.833 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.270 -14.068 -10.998 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.452 -14.799 -10.816 1.00 0.00 C ATOM 0 H TRP A 9 -5.301 -15.539 -5.442 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.273 -17.438 -7.711 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.794 -14.460 -7.408 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.340 -15.124 -8.965 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.418 -17.376 -6.741 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.815 -17.600 -7.657 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.239 -13.757 -10.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.425 -16.358 -9.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.224 -13.302 -11.758 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.313 -14.596 -11.435 1.00 0.00 H new ATOM 146 N LYS A 10 -2.962 -16.927 -8.539 1.00 0.00 N ATOM 147 CA LYS A 10 -1.550 -16.796 -8.884 1.00 0.00 C ATOM 148 C LYS A 10 -1.381 -15.767 -9.986 1.00 0.00 C ATOM 149 O LYS A 10 -2.218 -15.679 -10.879 1.00 0.00 O ATOM 150 CB LYS A 10 -1.006 -18.133 -9.365 1.00 0.00 C ATOM 151 CG LYS A 10 0.512 -18.031 -9.542 1.00 0.00 C ATOM 152 CD LYS A 10 1.081 -19.372 -10.023 1.00 0.00 C ATOM 153 CE LYS A 10 1.079 -20.400 -8.884 1.00 0.00 C ATOM 154 NZ LYS A 10 1.934 -21.555 -9.267 1.00 0.00 N ATOM 0 H LYS A 10 -3.480 -17.584 -9.123 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.002 -16.477 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.248 -18.916 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.475 -18.411 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.750 -17.248 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.977 -17.748 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.489 -19.746 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.097 -19.231 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.452 -19.945 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.062 -20.736 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.936 -22.255 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.559 -21.993 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.906 -21.226 -9.438 1.00 0.00 H new ATOM 168 N ILE A 11 -0.299 -14.995 -9.922 1.00 0.00 N ATOM 169 CA ILE A 11 -0.031 -13.967 -10.928 1.00 0.00 C ATOM 170 C ILE A 11 0.927 -14.505 -11.985 1.00 0.00 C ATOM 171 O ILE A 11 2.080 -14.817 -11.687 1.00 0.00 O ATOM 172 CB ILE A 11 0.595 -12.735 -10.260 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.207 -12.350 -9.013 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.579 -11.556 -11.238 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.563 -11.293 -8.220 1.00 0.00 C ATOM 0 H ILE A 11 0.405 -15.060 -9.187 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.972 -13.688 -11.402 1.00 0.00 H new ATOM 0 HB ILE A 11 1.621 -12.973 -9.977 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.185 -11.964 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.382 -13.230 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.024 -10.682 -10.762 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.151 -11.815 -12.129 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.450 -11.331 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.006 -11.018 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.530 -11.696 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.715 -10.411 -8.842 1.00 0.00 H new ATOM 187 N THR A 12 0.444 -14.611 -13.222 1.00 0.00 N ATOM 188 CA THR A 12 1.267 -15.114 -14.324 1.00 0.00 C ATOM 189 C THR A 12 1.828 -13.958 -15.144 1.00 0.00 C ATOM 190 O THR A 12 3.005 -13.954 -15.507 1.00 0.00 O ATOM 191 CB THR A 12 0.424 -16.020 -15.222 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.004 -17.153 -14.479 1.00 0.00 O ATOM 193 CG2 THR A 12 1.257 -16.477 -16.419 1.00 0.00 C ATOM 0 H THR A 12 -0.508 -14.357 -13.487 1.00 0.00 H new ATOM 0 HA THR A 12 2.099 -15.682 -13.908 1.00 0.00 H new ATOM 0 HB THR A 12 -0.446 -15.469 -15.580 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.546 -17.734 -15.052 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.653 -17.123 -17.057 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.584 -15.607 -16.988 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.129 -17.028 -16.066 1.00 0.00 H new ATOM 201 N GLY A 13 0.976 -12.977 -15.434 1.00 0.00 N ATOM 202 CA GLY A 13 1.393 -11.813 -16.211 1.00 0.00 C ATOM 203 C GLY A 13 0.213 -11.192 -16.947 1.00 0.00 C ATOM 204 O GLY A 13 -0.905 -11.696 -16.887 1.00 0.00 O ATOM 0 H GLY A 13 -0.002 -12.965 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.843 -11.073 -15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.159 -12.107 -16.929 1.00 0.00 H new ATOM 208 N PHE A 14 0.476 -10.092 -17.641 1.00 0.00 N ATOM 209 CA PHE A 14 -0.566 -9.398 -18.390 1.00 0.00 C ATOM 210 C PHE A 14 -0.712 -10.001 -19.786 1.00 0.00 C ATOM 211 O PHE A 14 0.235 -10.566 -20.332 1.00 0.00 O ATOM 212 CB PHE A 14 -0.224 -7.904 -18.499 1.00 0.00 C ATOM 213 CG PHE A 14 1.274 -7.731 -18.531 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.003 -7.770 -17.339 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.927 -7.523 -19.749 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.393 -7.599 -17.364 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.316 -7.354 -19.776 1.00 0.00 C ATOM 218 CZ PHE A 14 4.050 -7.392 -18.583 1.00 0.00 C ATOM 0 H PHE A 14 1.399 -9.662 -17.701 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.512 -9.513 -17.860 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.669 -7.483 -19.401 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.645 -7.361 -17.653 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.495 -7.932 -16.400 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.361 -7.493 -20.668 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.958 -7.627 -16.444 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.822 -7.194 -20.717 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.122 -7.262 -18.604 1.00 0.00 H new ATOM 228 N SER A 15 -1.903 -9.863 -20.357 1.00 0.00 N ATOM 229 CA SER A 15 -2.174 -10.384 -21.693 1.00 0.00 C ATOM 230 C SER A 15 -1.744 -9.379 -22.754 1.00 0.00 C ATOM 231 O SER A 15 -1.376 -8.252 -22.438 1.00 0.00 O ATOM 232 CB SER A 15 -3.664 -10.670 -21.845 1.00 0.00 C ATOM 233 OG SER A 15 -3.980 -10.792 -23.226 1.00 0.00 O ATOM 0 H SER A 15 -2.696 -9.396 -19.917 1.00 0.00 H new ATOM 0 HA SER A 15 -1.608 -11.306 -21.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.926 -11.587 -21.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.248 -9.867 -21.396 1.00 0.00 H new ATOM 0 HG SER A 15 -4.937 -10.978 -23.327 1.00 0.00 H new ATOM 239 N ARG A 16 -1.794 -9.797 -24.013 1.00 0.00 N ATOM 240 CA ARG A 16 -1.412 -8.920 -25.116 1.00 0.00 C ATOM 241 C ARG A 16 -2.413 -7.777 -25.271 1.00 0.00 C ATOM 242 O ARG A 16 -2.034 -6.640 -25.549 1.00 0.00 O ATOM 243 CB ARG A 16 -1.347 -9.721 -26.416 1.00 0.00 C ATOM 244 CG ARG A 16 -0.151 -10.670 -26.364 1.00 0.00 C ATOM 245 CD ARG A 16 -0.116 -11.517 -27.637 1.00 0.00 C ATOM 246 NE ARG A 16 1.010 -12.440 -27.595 1.00 0.00 N ATOM 247 CZ ARG A 16 1.166 -13.376 -28.524 1.00 0.00 C ATOM 248 NH1 ARG A 16 0.303 -13.477 -29.498 1.00 0.00 N ATOM 249 NH2 ARG A 16 2.181 -14.195 -28.463 1.00 0.00 N ATOM 0 H ARG A 16 -2.093 -10.730 -24.296 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.431 -8.498 -24.896 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.269 -10.286 -26.555 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.255 -9.047 -27.268 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.774 -10.101 -26.267 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.222 -11.314 -25.488 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.048 -12.073 -27.739 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.034 -10.871 -28.511 1.00 0.00 H new ATOM 0 HE ARG A 16 1.691 -12.366 -26.839 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.490 -12.837 -29.545 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.422 -14.196 -30.212 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.855 -14.116 -27.701 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.300 -14.914 -29.177 1.00 0.00 H new ATOM 263 N GLU A 17 -3.696 -8.090 -25.092 1.00 0.00 N ATOM 264 CA GLU A 17 -4.747 -7.084 -25.217 1.00 0.00 C ATOM 265 C GLU A 17 -4.671 -6.083 -24.066 1.00 0.00 C ATOM 266 O GLU A 17 -5.270 -5.009 -24.124 1.00 0.00 O ATOM 267 CB GLU A 17 -6.132 -7.770 -25.231 1.00 0.00 C ATOM 268 CG GLU A 17 -7.091 -7.023 -26.167 1.00 0.00 C ATOM 269 CD GLU A 17 -7.302 -5.594 -25.675 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.566 -5.425 -24.496 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.201 -4.688 -26.487 1.00 0.00 O ATOM 0 H GLU A 17 -4.030 -9.026 -24.862 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.604 -6.545 -26.154 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.029 -8.805 -25.557 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.543 -7.793 -24.222 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.687 -7.011 -27.179 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.047 -7.545 -26.212 1.00 0.00 H new ATOM 278 N ILE A 18 -3.936 -6.445 -23.018 1.00 0.00 N ATOM 279 CA ILE A 18 -3.797 -5.573 -21.853 1.00 0.00 C ATOM 280 C ILE A 18 -3.633 -4.122 -22.291 1.00 0.00 C ATOM 281 O ILE A 18 -3.053 -3.847 -23.342 1.00 0.00 O ATOM 282 CB ILE A 18 -2.580 -5.998 -21.025 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.573 -5.238 -19.691 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.300 -5.676 -21.802 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.760 -5.670 -18.815 1.00 0.00 C ATOM 0 H ILE A 18 -3.431 -7.329 -22.950 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.698 -5.660 -21.246 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.630 -7.069 -20.830 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.638 -5.427 -19.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.623 -4.165 -19.877 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.432 -5.977 -21.215 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.303 -6.217 -22.749 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.252 -4.605 -21.996 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.737 -5.120 -17.874 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.693 -5.458 -19.337 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.692 -6.739 -18.612 1.00 0.00 H new ATOM 297 N SER A 19 -4.156 -3.196 -21.491 1.00 0.00 N ATOM 298 CA SER A 19 -4.066 -1.781 -21.825 1.00 0.00 C ATOM 299 C SER A 19 -2.686 -1.218 -21.444 1.00 0.00 C ATOM 300 O SER A 19 -2.129 -1.608 -20.417 1.00 0.00 O ATOM 301 CB SER A 19 -5.154 -1.004 -21.084 1.00 0.00 C ATOM 302 OG SER A 19 -6.427 -1.521 -21.450 1.00 0.00 O ATOM 0 H SER A 19 -4.641 -3.399 -20.617 1.00 0.00 H new ATOM 0 HA SER A 19 -4.204 -1.672 -22.901 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.009 -1.089 -20.007 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.094 0.056 -21.331 1.00 0.00 H new ATOM 0 HG SER A 19 -7.129 -1.028 -20.976 1.00 0.00 H new ATOM 308 N PRO A 20 -2.128 -0.307 -22.221 1.00 0.00 N ATOM 309 CA PRO A 20 -0.798 0.297 -21.898 1.00 0.00 C ATOM 310 C PRO A 20 -0.712 0.792 -20.452 1.00 0.00 C ATOM 311 O PRO A 20 0.326 0.660 -19.804 1.00 0.00 O ATOM 312 CB PRO A 20 -0.686 1.484 -22.870 1.00 0.00 C ATOM 313 CG PRO A 20 -1.560 1.133 -24.031 1.00 0.00 C ATOM 314 CD PRO A 20 -2.674 0.230 -23.487 1.00 0.00 C ATOM 0 HA PRO A 20 0.005 -0.433 -22.000 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.014 2.410 -22.398 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.346 1.636 -23.187 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.978 2.031 -24.486 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.989 0.620 -24.804 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.593 0.791 -23.317 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.914 -0.570 -24.187 1.00 0.00 H new ATOM 322 N ALA A 21 -1.798 1.377 -19.961 1.00 0.00 N ATOM 323 CA ALA A 21 -1.815 1.904 -18.602 1.00 0.00 C ATOM 324 C ALA A 21 -1.387 0.837 -17.594 1.00 0.00 C ATOM 325 O ALA A 21 -0.422 1.021 -16.850 1.00 0.00 O ATOM 326 CB ALA A 21 -3.222 2.400 -18.257 1.00 0.00 C ATOM 0 H ALA A 21 -2.670 1.498 -20.477 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.109 2.732 -18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.230 2.793 -17.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.511 3.188 -18.953 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.928 1.573 -18.332 1.00 0.00 H new ATOM 332 N TYR A 22 -2.105 -0.278 -17.578 1.00 0.00 N ATOM 333 CA TYR A 22 -1.791 -1.364 -16.657 1.00 0.00 C ATOM 334 C TYR A 22 -0.408 -1.943 -16.961 1.00 0.00 C ATOM 335 O TYR A 22 0.391 -2.207 -16.060 1.00 0.00 O ATOM 336 CB TYR A 22 -2.851 -2.459 -16.773 1.00 0.00 C ATOM 337 CG TYR A 22 -2.537 -3.573 -15.807 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.621 -4.566 -16.167 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.164 -3.618 -14.552 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.330 -5.605 -15.279 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.872 -4.663 -13.666 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.957 -5.654 -14.029 1.00 0.00 C ATOM 343 OH TYR A 22 -1.669 -6.680 -13.153 1.00 0.00 O ATOM 0 H TYR A 22 -2.904 -0.455 -18.187 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.786 -0.971 -15.640 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.838 -2.048 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.879 -2.845 -17.792 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.138 -4.530 -17.132 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.869 -2.850 -14.270 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.621 -6.370 -15.558 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.355 -4.702 -12.701 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.189 -6.564 -12.331 1.00 0.00 H new ATOM 353 N ARG A 23 -0.128 -2.140 -18.238 1.00 0.00 N ATOM 354 CA ARG A 23 1.156 -2.690 -18.636 1.00 0.00 C ATOM 355 C ARG A 23 2.287 -1.802 -18.118 1.00 0.00 C ATOM 356 O ARG A 23 3.279 -2.289 -17.566 1.00 0.00 O ATOM 357 CB ARG A 23 1.225 -2.788 -20.157 1.00 0.00 C ATOM 358 CG ARG A 23 2.457 -3.600 -20.554 1.00 0.00 C ATOM 359 CD ARG A 23 2.626 -3.577 -22.075 1.00 0.00 C ATOM 360 NE ARG A 23 1.547 -4.315 -22.724 1.00 0.00 N ATOM 361 CZ ARG A 23 1.498 -4.430 -24.048 1.00 0.00 C ATOM 362 NH1 ARG A 23 2.420 -3.874 -24.785 1.00 0.00 N ATOM 363 NH2 ARG A 23 0.530 -5.098 -24.612 1.00 0.00 N ATOM 0 H ARG A 23 -0.763 -1.930 -19.008 1.00 0.00 H new ATOM 0 HA ARG A 23 1.266 -3.687 -18.209 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.323 -3.262 -20.544 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.275 -1.791 -20.595 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.345 -3.189 -20.074 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.354 -4.628 -20.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.633 -2.546 -22.430 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.587 -4.014 -22.346 1.00 0.00 H new ATOM 0 HE ARG A 23 0.820 -4.749 -22.154 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.178 -3.352 -24.346 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.383 -3.962 -25.801 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.191 -5.533 -24.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.494 -5.185 -25.628 1.00 0.00 H new ATOM 377 N GLN A 24 2.123 -0.492 -18.283 1.00 0.00 N ATOM 378 CA GLN A 24 3.127 0.456 -17.813 1.00 0.00 C ATOM 379 C GLN A 24 3.271 0.375 -16.302 1.00 0.00 C ATOM 380 O GLN A 24 4.373 0.517 -15.772 1.00 0.00 O ATOM 381 CB GLN A 24 2.753 1.885 -18.222 1.00 0.00 C ATOM 382 CG GLN A 24 3.068 2.088 -19.702 1.00 0.00 C ATOM 383 CD GLN A 24 2.679 3.495 -20.130 1.00 0.00 C ATOM 384 OE1 GLN A 24 2.102 4.250 -19.347 1.00 0.00 O ATOM 385 NE2 GLN A 24 2.994 3.904 -21.325 1.00 0.00 N ATOM 0 H GLN A 24 1.313 -0.067 -18.734 1.00 0.00 H new ATOM 0 HA GLN A 24 4.080 0.195 -18.274 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.694 2.063 -18.037 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.307 2.604 -17.619 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.131 1.926 -19.881 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.528 1.355 -20.301 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.472 3.275 -21.970 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.763 4.854 -21.616 1.00 0.00 H new ATOM 394 N LYS A 25 2.164 0.139 -15.607 1.00 0.00 N ATOM 395 CA LYS A 25 2.221 0.040 -14.156 1.00 0.00 C ATOM 396 C LYS A 25 3.158 -1.085 -13.756 1.00 0.00 C ATOM 397 O LYS A 25 3.988 -0.914 -12.865 1.00 0.00 O ATOM 398 CB LYS A 25 0.828 -0.225 -13.581 1.00 0.00 C ATOM 399 CG LYS A 25 -0.062 1.020 -13.740 1.00 0.00 C ATOM 400 CD LYS A 25 0.155 1.972 -12.562 1.00 0.00 C ATOM 401 CE LYS A 25 -0.731 3.200 -12.732 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.518 4.115 -11.577 1.00 0.00 N ATOM 0 H LYS A 25 1.237 0.015 -16.014 1.00 0.00 H new ATOM 0 HA LYS A 25 2.592 0.984 -13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.372 -1.074 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.907 -0.492 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.172 1.527 -14.676 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.110 0.724 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.080 1.468 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.202 2.270 -12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.492 3.710 -13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.778 2.904 -12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.119 4.956 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.766 3.624 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.480 4.405 -11.543 1.00 0.00 H new ATOM 416 N LEU A 26 3.048 -2.228 -14.432 1.00 0.00 N ATOM 417 CA LEU A 26 3.934 -3.352 -14.126 1.00 0.00 C ATOM 418 C LEU A 26 5.382 -2.976 -14.423 1.00 0.00 C ATOM 419 O LEU A 26 6.283 -3.291 -13.647 1.00 0.00 O ATOM 420 CB LEU A 26 3.537 -4.599 -14.944 1.00 0.00 C ATOM 421 CG LEU A 26 2.466 -5.416 -14.201 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.038 -5.982 -12.880 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.250 -4.531 -13.909 1.00 0.00 C ATOM 0 H LEU A 26 2.373 -2.400 -15.177 1.00 0.00 H new ATOM 0 HA LEU A 26 3.836 -3.586 -13.066 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.158 -4.295 -15.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.416 -5.219 -15.122 1.00 0.00 H new ATOM 0 HG LEU A 26 2.160 -6.251 -14.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.267 -6.557 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.888 -6.628 -13.099 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.362 -5.160 -12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.494 -5.114 -13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.554 -3.687 -13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.835 -4.161 -14.847 1.00 0.00 H new ATOM 435 N LEU A 27 5.596 -2.300 -15.542 1.00 0.00 N ATOM 436 CA LEU A 27 6.943 -1.889 -15.920 1.00 0.00 C ATOM 437 C LEU A 27 7.513 -0.903 -14.903 1.00 0.00 C ATOM 438 O LEU A 27 8.697 -0.957 -14.568 1.00 0.00 O ATOM 439 CB LEU A 27 6.920 -1.246 -17.311 1.00 0.00 C ATOM 440 CG LEU A 27 6.505 -2.287 -18.362 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.342 -1.593 -19.719 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.570 -3.398 -18.468 1.00 0.00 C ATOM 0 H LEU A 27 4.865 -2.026 -16.198 1.00 0.00 H new ATOM 0 HA LEU A 27 7.581 -2.773 -15.940 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.223 -0.408 -17.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.905 -0.845 -17.552 1.00 0.00 H new ATOM 0 HG LEU A 27 5.560 -2.741 -18.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.047 -2.326 -20.470 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.575 -0.822 -19.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.288 -1.136 -20.010 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.261 -4.128 -19.217 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.525 -2.960 -18.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.678 -3.892 -17.502 1.00 0.00 H new ATOM 454 N SER A 28 6.667 0.002 -14.422 1.00 0.00 N ATOM 455 CA SER A 28 7.101 1.008 -13.449 1.00 0.00 C ATOM 456 C SER A 28 7.597 0.356 -12.160 1.00 0.00 C ATOM 457 O SER A 28 8.632 0.739 -11.616 1.00 0.00 O ATOM 458 CB SER A 28 5.940 1.948 -13.127 1.00 0.00 C ATOM 459 OG SER A 28 5.541 2.622 -14.311 1.00 0.00 O ATOM 0 H SER A 28 5.683 0.063 -14.685 1.00 0.00 H new ATOM 0 HA SER A 28 7.925 1.570 -13.889 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.103 1.383 -12.716 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.241 2.670 -12.368 1.00 0.00 H new ATOM 0 HG SER A 28 5.126 1.983 -14.927 1.00 0.00 H new ATOM 465 N LEU A 29 6.847 -0.631 -11.677 1.00 0.00 N ATOM 466 CA LEU A 29 7.206 -1.342 -10.447 1.00 0.00 C ATOM 467 C LEU A 29 8.029 -2.586 -10.769 1.00 0.00 C ATOM 468 O LEU A 29 7.734 -3.311 -11.719 1.00 0.00 O ATOM 469 CB LEU A 29 5.929 -1.740 -9.689 1.00 0.00 C ATOM 470 CG LEU A 29 4.999 -2.586 -10.607 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.136 -4.078 -10.277 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.534 -2.164 -10.414 1.00 0.00 C ATOM 0 H LEU A 29 5.987 -0.959 -12.116 1.00 0.00 H new ATOM 0 HA LEU A 29 7.807 -0.682 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.190 -2.311 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.404 -0.846 -9.352 1.00 0.00 H new ATOM 0 HG LEU A 29 5.296 -2.414 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.480 -4.656 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.168 -4.392 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.858 -4.248 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.894 -2.763 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.245 -2.319 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.422 -1.110 -10.669 1.00 0.00 H new ATOM 484 N GLY A 30 9.067 -2.820 -9.972 1.00 0.00 N ATOM 485 CA GLY A 30 9.938 -3.974 -10.179 1.00 0.00 C ATOM 486 C GLY A 30 9.323 -5.242 -9.594 1.00 0.00 C ATOM 487 O GLY A 30 9.891 -6.329 -9.710 1.00 0.00 O ATOM 0 H GLY A 30 9.325 -2.230 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.116 -4.112 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.907 -3.789 -9.715 1.00 0.00 H new ATOM 491 N MET A 31 8.157 -5.096 -8.970 1.00 0.00 N ATOM 492 CA MET A 31 7.464 -6.235 -8.374 1.00 0.00 C ATOM 493 C MET A 31 6.593 -6.907 -9.422 1.00 0.00 C ATOM 494 O MET A 31 5.372 -6.750 -9.427 1.00 0.00 O ATOM 495 CB MET A 31 6.584 -5.767 -7.214 1.00 0.00 C ATOM 496 CG MET A 31 5.978 -6.981 -6.506 1.00 0.00 C ATOM 497 SD MET A 31 4.920 -6.416 -5.151 1.00 0.00 S ATOM 498 CE MET A 31 3.402 -6.213 -6.116 1.00 0.00 C ATOM 0 H MET A 31 7.674 -4.204 -8.864 1.00 0.00 H new ATOM 0 HA MET A 31 8.205 -6.942 -8.001 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.174 -5.180 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.792 -5.117 -7.585 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.398 -7.576 -7.212 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.769 -7.624 -6.121 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.601 -5.863 -5.465 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.570 -5.484 -6.909 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.120 -7.169 -6.556 1.00 0.00 H new ATOM 508 N LEU A 32 7.230 -7.646 -10.316 1.00 0.00 N ATOM 509 CA LEU A 32 6.517 -8.334 -11.387 1.00 0.00 C ATOM 510 C LEU A 32 5.945 -9.661 -10.870 1.00 0.00 C ATOM 511 O LEU A 32 6.264 -10.083 -9.758 1.00 0.00 O ATOM 512 CB LEU A 32 7.504 -8.557 -12.565 1.00 0.00 C ATOM 513 CG LEU A 32 7.112 -7.686 -13.783 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.617 -6.259 -13.576 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.728 -8.261 -15.055 1.00 0.00 C ATOM 0 H LEU A 32 8.240 -7.787 -10.324 1.00 0.00 H new ATOM 0 HA LEU A 32 5.677 -7.734 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.517 -8.311 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.505 -9.609 -12.850 1.00 0.00 H new ATOM 0 HG LEU A 32 6.026 -7.680 -13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.340 -5.647 -14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.170 -5.842 -12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.702 -6.269 -13.472 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.447 -7.642 -15.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.814 -8.275 -14.959 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.364 -9.277 -15.209 1.00 0.00 H new ATOM 527 N PRO A 33 5.104 -10.316 -11.641 1.00 0.00 N ATOM 528 CA PRO A 33 4.484 -11.609 -11.234 1.00 0.00 C ATOM 529 C PRO A 33 5.492 -12.568 -10.615 1.00 0.00 C ATOM 530 O PRO A 33 6.677 -12.260 -10.501 1.00 0.00 O ATOM 531 CB PRO A 33 3.933 -12.181 -12.543 1.00 0.00 C ATOM 532 CG PRO A 33 3.656 -10.994 -13.404 1.00 0.00 C ATOM 533 CD PRO A 33 4.647 -9.900 -12.983 1.00 0.00 C ATOM 0 HA PRO A 33 3.722 -11.465 -10.468 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.653 -12.850 -13.014 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.027 -12.761 -12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.780 -11.243 -14.458 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.628 -10.655 -13.276 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.480 -9.828 -13.682 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.169 -8.921 -12.954 1.00 0.00 H new ATOM 541 N GLY A 34 5.005 -13.743 -10.232 1.00 0.00 N ATOM 542 CA GLY A 34 5.855 -14.764 -9.631 1.00 0.00 C ATOM 543 C GLY A 34 5.385 -15.093 -8.218 1.00 0.00 C ATOM 544 O GLY A 34 6.080 -15.770 -7.463 1.00 0.00 O ATOM 0 H GLY A 34 4.026 -14.012 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.839 -15.665 -10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.887 -14.415 -9.604 1.00 0.00 H new ATOM 548 N SER A 35 4.192 -14.609 -7.872 1.00 0.00 N ATOM 549 CA SER A 35 3.616 -14.854 -6.550 1.00 0.00 C ATOM 550 C SER A 35 2.104 -15.019 -6.654 1.00 0.00 C ATOM 551 O SER A 35 1.580 -15.348 -7.718 1.00 0.00 O ATOM 552 CB SER A 35 3.935 -13.692 -5.609 1.00 0.00 C ATOM 553 OG SER A 35 3.241 -12.530 -6.042 1.00 0.00 O ATOM 0 H SER A 35 3.606 -14.046 -8.488 1.00 0.00 H new ATOM 0 HA SER A 35 4.051 -15.770 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.643 -13.945 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.009 -13.504 -5.596 1.00 0.00 H new ATOM 0 HG SER A 35 3.821 -11.747 -5.943 1.00 0.00 H new ATOM 559 N SER A 36 1.409 -14.791 -5.542 1.00 0.00 N ATOM 560 CA SER A 36 -0.049 -14.920 -5.512 1.00 0.00 C ATOM 561 C SER A 36 -0.667 -13.820 -4.662 1.00 0.00 C ATOM 562 O SER A 36 0.026 -13.152 -3.895 1.00 0.00 O ATOM 563 CB SER A 36 -0.442 -16.285 -4.946 1.00 0.00 C ATOM 564 OG SER A 36 -0.123 -16.327 -3.561 1.00 0.00 O ATOM 0 H SER A 36 1.828 -14.517 -4.653 1.00 0.00 H new ATOM 0 HA SER A 36 -0.422 -14.828 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.508 -16.459 -5.091 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.085 -17.078 -5.477 1.00 0.00 H new ATOM 0 HG SER A 36 -0.375 -17.200 -3.194 1.00 0.00 H new ATOM 570 N PHE A 37 -1.977 -13.634 -4.809 1.00 0.00 N ATOM 571 CA PHE A 37 -2.688 -12.605 -4.055 1.00 0.00 C ATOM 572 C PHE A 37 -4.075 -13.099 -3.661 1.00 0.00 C ATOM 573 O PHE A 37 -4.588 -14.062 -4.238 1.00 0.00 O ATOM 574 CB PHE A 37 -2.820 -11.335 -4.900 1.00 0.00 C ATOM 575 CG PHE A 37 -3.795 -11.563 -6.034 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.351 -12.056 -7.267 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.151 -11.281 -5.841 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.266 -12.264 -8.306 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.065 -11.488 -6.880 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.622 -11.980 -8.113 1.00 0.00 C ATOM 0 H PHE A 37 -2.565 -14.179 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.120 -12.383 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.162 -10.508 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.846 -11.052 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.304 -12.276 -7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.493 -10.903 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.925 -12.644 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.112 -11.268 -6.731 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.327 -12.140 -8.915 1.00 0.00 H new ATOM 590 N ASN A 38 -4.679 -12.432 -2.679 1.00 0.00 N ATOM 591 CA ASN A 38 -6.016 -12.797 -2.207 1.00 0.00 C ATOM 592 C ASN A 38 -6.990 -11.638 -2.401 1.00 0.00 C ATOM 593 O ASN A 38 -6.612 -10.454 -2.332 1.00 0.00 O ATOM 594 CB ASN A 38 -5.961 -13.181 -0.728 1.00 0.00 C ATOM 595 CG ASN A 38 -5.412 -12.021 0.092 1.00 0.00 C ATOM 596 OD1 ASN A 38 -4.622 -11.224 -0.411 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.788 -11.875 1.333 1.00 0.00 N ATOM 0 H ASN A 38 -4.265 -11.636 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.366 -13.649 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.958 -13.446 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.331 -14.061 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.427 -11.099 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.443 -12.537 1.749 1.00 0.00 H new ATOM 604 N VAL A 39 -8.250 -11.983 -2.650 1.00 0.00 N ATOM 605 CA VAL A 39 -9.279 -10.978 -2.861 1.00 0.00 C ATOM 606 C VAL A 39 -9.840 -10.501 -1.525 1.00 0.00 C ATOM 607 O VAL A 39 -10.268 -11.306 -0.700 1.00 0.00 O ATOM 608 CB VAL A 39 -10.416 -11.559 -3.705 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.305 -10.422 -4.211 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.834 -12.330 -4.894 1.00 0.00 C ATOM 0 H VAL A 39 -8.579 -12.947 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.830 -10.133 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.010 -12.239 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.115 -10.834 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.722 -9.881 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.712 -9.740 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.646 -12.742 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.237 -11.656 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.204 -13.141 -4.529 1.00 0.00 H new ATOM 620 N VAL A 40 -9.840 -9.191 -1.324 1.00 0.00 N ATOM 621 CA VAL A 40 -10.362 -8.619 -0.090 1.00 0.00 C ATOM 622 C VAL A 40 -11.876 -8.798 -0.007 1.00 0.00 C ATOM 623 O VAL A 40 -12.421 -9.067 1.064 1.00 0.00 O ATOM 624 CB VAL A 40 -9.983 -7.132 -0.008 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.232 -6.445 -1.360 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.810 -6.435 1.083 1.00 0.00 C ATOM 0 H VAL A 40 -9.487 -8.508 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.919 -9.143 0.757 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.924 -7.057 0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.960 -5.392 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.627 -6.925 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.286 -6.530 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.533 -5.382 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.871 -6.521 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.614 -6.907 2.046 1.00 0.00 H new ATOM 636 N ARG A 41 -12.547 -8.635 -1.137 1.00 0.00 N ATOM 637 CA ARG A 41 -13.994 -8.767 -1.179 1.00 0.00 C ATOM 638 C ARG A 41 -14.484 -8.707 -2.619 1.00 0.00 C ATOM 639 O ARG A 41 -13.780 -8.209 -3.497 1.00 0.00 O ATOM 640 CB ARG A 41 -14.631 -7.632 -0.369 1.00 0.00 C ATOM 641 CG ARG A 41 -14.310 -6.286 -1.026 1.00 0.00 C ATOM 642 CD ARG A 41 -14.847 -5.152 -0.151 1.00 0.00 C ATOM 643 NE ARG A 41 -14.150 -5.132 1.131 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.462 -4.244 2.071 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.396 -3.361 1.851 1.00 0.00 N ATOM 646 NH2 ARG A 41 -13.830 -4.256 3.213 1.00 0.00 N ATOM 0 H ARG A 41 -12.114 -8.412 -2.033 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.279 -9.728 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.710 -7.773 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.255 -7.647 0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.233 -6.180 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.758 -6.237 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.716 -4.197 -0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.917 -5.283 0.010 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.410 -5.811 1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.888 -3.351 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.635 -2.680 2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.098 -4.946 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.068 -3.576 3.935 1.00 0.00 H new ATOM 660 N VAL A 42 -15.695 -9.199 -2.856 1.00 0.00 N ATOM 661 CA VAL A 42 -16.280 -9.179 -4.198 1.00 0.00 C ATOM 662 C VAL A 42 -17.641 -8.497 -4.148 1.00 0.00 C ATOM 663 O VAL A 42 -18.503 -8.876 -3.355 1.00 0.00 O ATOM 664 CB VAL A 42 -16.433 -10.613 -4.712 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.233 -10.613 -6.019 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.045 -11.208 -4.958 1.00 0.00 C ATOM 0 H VAL A 42 -16.291 -9.616 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.627 -8.626 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.963 -11.212 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.339 -11.636 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.220 -10.187 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.709 -10.016 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.147 -12.230 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.518 -10.607 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.480 -11.211 -4.026 1.00 0.00 H new ATOM 676 N ALA A 43 -17.833 -7.484 -4.993 1.00 0.00 N ATOM 677 CA ALA A 43 -19.101 -6.760 -5.022 1.00 0.00 C ATOM 678 C ALA A 43 -20.038 -7.353 -6.088 1.00 0.00 C ATOM 679 O ALA A 43 -19.760 -7.229 -7.281 1.00 0.00 O ATOM 680 CB ALA A 43 -18.837 -5.285 -5.335 1.00 0.00 C ATOM 0 H ALA A 43 -17.136 -7.150 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.580 -6.851 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.782 -4.743 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.193 -4.859 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.348 -5.201 -6.305 1.00 0.00 H new ATOM 686 N PRO A 44 -21.132 -7.993 -5.708 1.00 0.00 N ATOM 687 CA PRO A 44 -22.083 -8.593 -6.689 1.00 0.00 C ATOM 688 C PRO A 44 -22.954 -7.539 -7.372 1.00 0.00 C ATOM 689 O PRO A 44 -23.655 -7.832 -8.340 1.00 0.00 O ATOM 690 CB PRO A 44 -22.921 -9.563 -5.847 1.00 0.00 C ATOM 691 CG PRO A 44 -22.907 -8.993 -4.465 1.00 0.00 C ATOM 692 CD PRO A 44 -21.591 -8.214 -4.318 1.00 0.00 C ATOM 0 HA PRO A 44 -21.565 -9.089 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.938 -9.640 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.497 -10.567 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.764 -8.337 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.972 -9.786 -3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.745 -7.269 -3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.857 -8.779 -3.743 1.00 0.00 H new ATOM 700 N LEU A 45 -22.924 -6.322 -6.844 1.00 0.00 N ATOM 701 CA LEU A 45 -23.731 -5.239 -7.392 1.00 0.00 C ATOM 702 C LEU A 45 -23.391 -4.999 -8.859 1.00 0.00 C ATOM 703 O LEU A 45 -24.244 -4.577 -9.639 1.00 0.00 O ATOM 704 CB LEU A 45 -23.482 -3.957 -6.592 1.00 0.00 C ATOM 705 CG LEU A 45 -23.925 -4.152 -5.134 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.543 -2.911 -4.318 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.452 -4.365 -5.065 1.00 0.00 C ATOM 0 H LEU A 45 -22.352 -6.061 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.782 -5.520 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.424 -3.696 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.030 -3.128 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.427 -5.031 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.856 -3.046 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.463 -2.769 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.038 -2.034 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.754 -4.502 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.960 -3.494 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.722 -5.250 -5.641 1.00 0.00 H new ATOM 719 N GLY A 46 -22.141 -5.273 -9.233 1.00 0.00 N ATOM 720 CA GLY A 46 -21.693 -5.085 -10.617 1.00 0.00 C ATOM 721 C GLY A 46 -20.547 -4.087 -10.682 1.00 0.00 C ATOM 722 O GLY A 46 -20.356 -3.415 -11.695 1.00 0.00 O ATOM 0 H GLY A 46 -21.422 -5.625 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.374 -6.040 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.524 -4.732 -11.228 1.00 0.00 H new ATOM 726 N ASP A 47 -19.783 -3.990 -9.594 1.00 0.00 N ATOM 727 CA ASP A 47 -18.654 -3.060 -9.541 1.00 0.00 C ATOM 728 C ASP A 47 -17.354 -3.803 -9.861 1.00 0.00 C ATOM 729 O ASP A 47 -17.369 -5.015 -10.082 1.00 0.00 O ATOM 730 CB ASP A 47 -18.564 -2.401 -8.142 1.00 0.00 C ATOM 731 CG ASP A 47 -19.885 -2.545 -7.393 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.918 -2.529 -8.039 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.842 -2.674 -6.180 1.00 0.00 O ATOM 0 H ASP A 47 -19.923 -4.538 -8.745 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.807 -2.276 -10.283 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.762 -2.864 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.313 -1.346 -8.247 1.00 0.00 H new ATOM 738 N PRO A 48 -16.238 -3.114 -9.892 1.00 0.00 N ATOM 739 CA PRO A 48 -14.923 -3.750 -10.197 1.00 0.00 C ATOM 740 C PRO A 48 -14.514 -4.770 -9.137 1.00 0.00 C ATOM 741 O PRO A 48 -15.260 -5.033 -8.193 1.00 0.00 O ATOM 742 CB PRO A 48 -13.929 -2.572 -10.245 1.00 0.00 C ATOM 743 CG PRO A 48 -14.776 -1.337 -10.342 1.00 0.00 C ATOM 744 CD PRO A 48 -16.093 -1.670 -9.649 1.00 0.00 C ATOM 0 HA PRO A 48 -14.957 -4.312 -11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.303 -2.550 -9.353 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.260 -2.657 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.286 -0.490 -9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.943 -1.060 -11.383 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.058 -1.441 -8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.925 -1.104 -10.069 1.00 0.00 H new ATOM 752 N ILE A 49 -13.327 -5.354 -9.312 1.00 0.00 N ATOM 753 CA ILE A 49 -12.823 -6.361 -8.381 1.00 0.00 C ATOM 754 C ILE A 49 -11.710 -5.768 -7.530 1.00 0.00 C ATOM 755 O ILE A 49 -10.667 -5.364 -8.049 1.00 0.00 O ATOM 756 CB ILE A 49 -12.284 -7.556 -9.173 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.217 -7.832 -10.364 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.199 -8.793 -8.269 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.639 -8.152 -9.881 1.00 0.00 C ATOM 0 H ILE A 49 -12.699 -5.146 -10.089 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.633 -6.689 -7.729 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.283 -7.328 -9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.239 -6.964 -11.023 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.830 -8.667 -10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.815 -9.637 -8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.530 -8.587 -7.433 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.192 -9.035 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.281 -8.344 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.616 -9.034 -9.241 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.031 -7.305 -9.317 1.00 0.00 H new ATOM 771 N HIS A 50 -11.931 -5.718 -6.220 1.00 0.00 N ATOM 772 CA HIS A 50 -10.933 -5.174 -5.304 1.00 0.00 C ATOM 773 C HIS A 50 -10.106 -6.294 -4.703 1.00 0.00 C ATOM 774 O HIS A 50 -10.646 -7.228 -4.110 1.00 0.00 O ATOM 775 CB HIS A 50 -11.610 -4.390 -4.180 1.00 0.00 C ATOM 776 CG HIS A 50 -12.173 -3.105 -4.731 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.379 -1.989 -3.935 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.559 -2.738 -5.996 1.00 0.00 C ATOM 779 CE1 HIS A 50 -12.867 -1.013 -4.722 1.00 0.00 C ATOM 780 NE2 HIS A 50 -12.997 -1.418 -5.987 1.00 0.00 N ATOM 0 H HIS A 50 -12.786 -6.045 -5.771 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.283 -4.505 -5.868 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.406 -4.987 -3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.892 -4.175 -3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.527 -3.377 -6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.122 -0.023 -4.373 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.344 -0.875 -6.778 1.00 0.00 H new ATOM 788 N ILE A 51 -8.788 -6.187 -4.854 1.00 0.00 N ATOM 789 CA ILE A 51 -7.873 -7.191 -4.314 1.00 0.00 C ATOM 790 C ILE A 51 -6.865 -6.535 -3.388 1.00 0.00 C ATOM 791 O ILE A 51 -6.477 -5.378 -3.594 1.00 0.00 O ATOM 792 CB ILE A 51 -7.145 -7.914 -5.453 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.425 -6.897 -6.348 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.159 -8.693 -6.293 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.448 -7.627 -7.270 1.00 0.00 C ATOM 0 H ILE A 51 -8.330 -5.418 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.451 -7.921 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.413 -8.599 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.151 -6.339 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.890 -6.172 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.642 -9.207 -7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.667 -9.425 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.892 -8.003 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.937 -6.903 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.714 -8.165 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.995 -8.334 -7.893 1.00 0.00 H new ATOM 807 N GLU A 52 -6.439 -7.276 -2.365 1.00 0.00 N ATOM 808 CA GLU A 52 -5.473 -6.746 -1.401 1.00 0.00 C ATOM 809 C GLU A 52 -4.364 -7.752 -1.165 1.00 0.00 C ATOM 810 O GLU A 52 -4.625 -8.925 -0.904 1.00 0.00 O ATOM 811 CB GLU A 52 -6.184 -6.425 -0.083 1.00 0.00 C ATOM 812 CG GLU A 52 -5.282 -5.582 0.822 1.00 0.00 C ATOM 813 CD GLU A 52 -4.133 -6.427 1.365 1.00 0.00 C ATOM 814 OE1 GLU A 52 -4.330 -7.618 1.540 1.00 0.00 O ATOM 815 OE2 GLU A 52 -3.073 -5.870 1.595 1.00 0.00 O ATOM 0 H GLU A 52 -6.742 -8.233 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.034 -5.832 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.111 -5.888 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.456 -7.350 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.886 -4.734 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.864 -5.175 1.648 1.00 0.00 H new ATOM 822 N THR A 53 -3.119 -7.285 -1.263 1.00 0.00 N ATOM 823 CA THR A 53 -1.963 -8.156 -1.060 1.00 0.00 C ATOM 824 C THR A 53 -1.097 -7.600 0.059 1.00 0.00 C ATOM 825 O THR A 53 -0.852 -6.394 0.125 1.00 0.00 O ATOM 826 CB THR A 53 -1.146 -8.237 -2.364 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.149 -7.225 -2.353 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.066 -8.024 -3.579 1.00 0.00 C ATOM 0 H THR A 53 -2.887 -6.316 -1.480 1.00 0.00 H new ATOM 0 HA THR A 53 -2.302 -9.155 -0.786 1.00 0.00 H new ATOM 0 HB THR A 53 -0.682 -9.221 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.329 -6.581 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.478 -8.083 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.836 -8.795 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.536 -7.043 -3.512 1.00 0.00 H new ATOM 836 N ARG A 54 -0.635 -8.487 0.935 1.00 0.00 N ATOM 837 CA ARG A 54 0.200 -8.082 2.059 1.00 0.00 C ATOM 838 C ARG A 54 1.205 -7.016 1.633 1.00 0.00 C ATOM 839 O ARG A 54 1.706 -6.253 2.460 1.00 0.00 O ATOM 840 CB ARG A 54 0.935 -9.304 2.623 1.00 0.00 C ATOM 841 CG ARG A 54 1.895 -9.864 1.571 1.00 0.00 C ATOM 842 CD ARG A 54 2.564 -11.130 2.107 1.00 0.00 C ATOM 843 NE ARG A 54 3.475 -11.680 1.105 1.00 0.00 N ATOM 844 CZ ARG A 54 4.734 -11.264 1.012 1.00 0.00 C ATOM 845 NH1 ARG A 54 5.180 -10.344 1.823 1.00 0.00 N ATOM 846 NH2 ARG A 54 5.522 -11.774 0.107 1.00 0.00 N ATOM 0 H ARG A 54 -0.824 -9.488 0.888 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.440 -7.656 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.487 -9.025 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.216 -10.069 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.353 -10.088 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.651 -9.119 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.112 -10.902 3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.806 -11.869 2.366 1.00 0.00 H new ATOM 0 HE ARG A 54 3.138 -12.398 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.562 -9.944 2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.146 -10.025 1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.172 -12.491 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.488 -11.456 0.034 1.00 0.00 H new ATOM 860 N ARG A 55 1.496 -6.973 0.337 1.00 0.00 N ATOM 861 CA ARG A 55 2.445 -6.000 -0.193 1.00 0.00 C ATOM 862 C ARG A 55 1.756 -4.678 -0.510 1.00 0.00 C ATOM 863 O ARG A 55 2.222 -3.615 -0.103 1.00 0.00 O ATOM 864 CB ARG A 55 3.083 -6.544 -1.470 1.00 0.00 C ATOM 865 CG ARG A 55 3.848 -7.828 -1.152 1.00 0.00 C ATOM 866 CD ARG A 55 4.620 -8.284 -2.391 1.00 0.00 C ATOM 867 NE ARG A 55 3.695 -8.628 -3.467 1.00 0.00 N ATOM 868 CZ ARG A 55 3.130 -9.829 -3.533 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.395 -10.726 -2.624 1.00 0.00 N ATOM 870 NH2 ARG A 55 2.311 -10.113 -4.509 1.00 0.00 N ATOM 0 H ARG A 55 1.091 -7.596 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 55 3.208 -5.827 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.314 -6.742 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.758 -5.802 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.536 -7.658 -0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.155 -8.607 -0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.293 -7.492 -2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.239 -9.147 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 55 3.478 -7.933 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.036 -10.506 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.961 -11.648 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.104 -9.413 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.878 -11.035 -4.559 1.00 0.00 H new ATOM 884 N VAL A 56 0.645 -4.755 -1.243 1.00 0.00 N ATOM 885 CA VAL A 56 -0.101 -3.558 -1.630 1.00 0.00 C ATOM 886 C VAL A 56 -1.528 -3.923 -2.021 1.00 0.00 C ATOM 887 O VAL A 56 -1.935 -5.079 -1.910 1.00 0.00 O ATOM 888 CB VAL A 56 0.576 -2.865 -2.822 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.912 -2.251 -2.395 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.821 -3.889 -3.935 1.00 0.00 C ATOM 0 H VAL A 56 0.243 -5.630 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.117 -2.882 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.077 -2.072 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.379 -1.764 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.740 -1.516 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.570 -3.035 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.301 -3.398 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.467 -4.684 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.131 -4.314 -4.254 1.00 0.00 H new ATOM 900 N SER A 57 -2.281 -2.926 -2.488 1.00 0.00 N ATOM 901 CA SER A 57 -3.668 -3.141 -2.908 1.00 0.00 C ATOM 902 C SER A 57 -3.900 -2.583 -4.306 1.00 0.00 C ATOM 903 O SER A 57 -3.245 -1.628 -4.721 1.00 0.00 O ATOM 904 CB SER A 57 -4.621 -2.453 -1.931 1.00 0.00 C ATOM 905 OG SER A 57 -4.444 -1.046 -2.016 1.00 0.00 O ATOM 0 H SER A 57 -1.956 -1.964 -2.585 1.00 0.00 H new ATOM 0 HA SER A 57 -3.858 -4.214 -2.917 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.653 -2.716 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.427 -2.795 -0.914 1.00 0.00 H new ATOM 0 HG SER A 57 -5.055 -0.601 -1.392 1.00 0.00 H new ATOM 911 N LEU A 58 -4.838 -3.192 -5.030 1.00 0.00 N ATOM 912 CA LEU A 58 -5.152 -2.752 -6.390 1.00 0.00 C ATOM 913 C LEU A 58 -6.586 -3.128 -6.746 1.00 0.00 C ATOM 914 O LEU A 58 -7.116 -4.128 -6.259 1.00 0.00 O ATOM 915 CB LEU A 58 -4.175 -3.402 -7.383 1.00 0.00 C ATOM 916 CG LEU A 58 -4.487 -2.967 -8.825 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.283 -1.454 -8.992 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.554 -3.712 -9.782 1.00 0.00 C ATOM 0 H LEU A 58 -5.390 -3.985 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.051 -1.668 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.152 -3.124 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.239 -4.487 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.527 -3.204 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.509 -1.168 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.947 -0.920 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.248 -1.199 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.768 -3.410 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.518 -3.472 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.710 -4.786 -9.680 1.00 0.00 H new ATOM 930 N VAL A 59 -7.205 -2.328 -7.614 1.00 0.00 N ATOM 931 CA VAL A 59 -8.576 -2.587 -8.059 1.00 0.00 C ATOM 932 C VAL A 59 -8.581 -2.838 -9.555 1.00 0.00 C ATOM 933 O VAL A 59 -8.013 -2.065 -10.325 1.00 0.00 O ATOM 934 CB VAL A 59 -9.482 -1.389 -7.749 1.00 0.00 C ATOM 935 CG1 VAL A 59 -10.846 -1.562 -8.449 1.00 0.00 C ATOM 936 CG2 VAL A 59 -9.677 -1.284 -6.239 1.00 0.00 C ATOM 0 H VAL A 59 -6.780 -1.496 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.954 -3.462 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.016 -0.476 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.482 -0.706 -8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.696 -1.628 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.325 -2.474 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.321 -0.434 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.140 -2.198 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.710 -1.145 -5.756 1.00 0.00 H new ATOM 946 N LEU A 60 -9.230 -3.923 -9.962 1.00 0.00 N ATOM 947 CA LEU A 60 -9.307 -4.271 -11.376 1.00 0.00 C ATOM 948 C LEU A 60 -10.722 -4.701 -11.757 1.00 0.00 C ATOM 949 O LEU A 60 -11.388 -5.413 -11.003 1.00 0.00 O ATOM 950 CB LEU A 60 -8.314 -5.400 -11.676 1.00 0.00 C ATOM 951 CG LEU A 60 -6.873 -4.894 -11.533 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.907 -6.082 -11.649 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.559 -3.855 -12.628 1.00 0.00 C ATOM 0 H LEU A 60 -9.708 -4.573 -9.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.052 -3.392 -11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.483 -6.233 -10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.476 -5.777 -12.686 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.755 -4.418 -10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.881 -5.728 -11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.121 -6.803 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.032 -6.559 -12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.533 -3.505 -12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.679 -4.313 -13.610 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.243 -3.011 -12.536 1.00 0.00 H new ATOM 965 N ARG A 61 -11.170 -4.267 -12.937 1.00 0.00 N ATOM 966 CA ARG A 61 -12.504 -4.616 -13.419 1.00 0.00 C ATOM 967 C ARG A 61 -12.519 -6.032 -13.971 1.00 0.00 C ATOM 968 O ARG A 61 -11.564 -6.454 -14.616 1.00 0.00 O ATOM 969 CB ARG A 61 -12.950 -3.644 -14.500 1.00 0.00 C ATOM 970 CG ARG A 61 -13.315 -2.318 -13.844 1.00 0.00 C ATOM 971 CD ARG A 61 -13.621 -1.299 -14.916 1.00 0.00 C ATOM 972 NE ARG A 61 -14.802 -1.695 -15.676 1.00 0.00 N ATOM 973 CZ ARG A 61 -15.185 -1.016 -16.752 1.00 0.00 C ATOM 974 NH1 ARG A 61 -14.503 0.026 -17.142 1.00 0.00 N ATOM 975 NH2 ARG A 61 -16.245 -1.388 -17.417 1.00 0.00 N ATOM 0 H ARG A 61 -10.631 -3.677 -13.571 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.194 -4.555 -12.577 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.153 -3.498 -15.229 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.807 -4.047 -15.040 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.179 -2.447 -13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.493 -1.970 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.785 -0.322 -14.461 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.767 -1.200 -15.586 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.342 -2.506 -15.376 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.676 0.319 -16.621 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.796 0.548 -17.968 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.780 -2.201 -17.111 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.538 -0.866 -18.243 1.00 0.00 H new ATOM 989 N LYS A 62 -13.614 -6.753 -13.727 1.00 0.00 N ATOM 990 CA LYS A 62 -13.754 -8.129 -14.208 1.00 0.00 C ATOM 991 C LYS A 62 -13.089 -8.313 -15.576 1.00 0.00 C ATOM 992 O LYS A 62 -12.507 -9.364 -15.861 1.00 0.00 O ATOM 993 CB LYS A 62 -15.240 -8.495 -14.293 1.00 0.00 C ATOM 994 CG LYS A 62 -15.953 -7.533 -15.252 1.00 0.00 C ATOM 995 CD LYS A 62 -17.448 -7.878 -15.336 1.00 0.00 C ATOM 996 CE LYS A 62 -18.177 -7.436 -14.059 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.643 -7.383 -14.322 1.00 0.00 N ATOM 0 H LYS A 62 -14.416 -6.408 -13.200 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.253 -8.791 -13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.353 -9.522 -14.641 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.695 -8.442 -13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.828 -6.506 -14.908 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.502 -7.595 -16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.892 -7.388 -16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.572 -8.952 -15.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.967 -8.132 -13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.817 -6.457 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.140 -7.084 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.834 -6.703 -15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.979 -8.325 -14.606 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.160 -7.275 -16.405 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.548 -7.324 -17.729 1.00 0.00 C ATOM 1013 C LYS A 63 -11.039 -7.490 -17.604 1.00 0.00 C ATOM 1014 O LYS A 63 -10.429 -8.310 -18.299 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.864 -6.031 -18.483 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.340 -6.028 -18.891 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.716 -4.669 -19.494 1.00 0.00 C ATOM 1018 CE LYS A 63 -13.982 -4.459 -20.822 1.00 0.00 C ATOM 1019 NZ LYS A 63 -14.648 -3.369 -21.587 1.00 0.00 N ATOM 0 H LYS A 63 -13.631 -6.397 -16.186 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.951 -8.175 -18.278 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.648 -5.168 -17.854 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.231 -5.948 -19.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.527 -6.821 -19.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.966 -6.235 -18.023 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.793 -4.619 -19.653 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.459 -3.870 -18.798 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.939 -4.204 -20.637 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.987 -5.381 -21.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.151 -3.225 -22.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.637 -3.630 -21.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.621 -2.489 -21.033 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.444 -6.722 -16.702 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.010 -6.794 -16.465 1.00 0.00 C ATOM 1035 C ASP A 64 -8.633 -8.171 -15.917 1.00 0.00 C ATOM 1036 O ASP A 64 -7.574 -8.706 -16.245 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.592 -5.694 -15.475 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.347 -4.376 -16.206 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -7.634 -4.396 -17.196 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.873 -3.370 -15.763 1.00 0.00 O ATOM 0 H ASP A 64 -10.934 -6.041 -16.122 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.485 -6.642 -17.408 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.370 -5.560 -14.723 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.687 -5.997 -14.948 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.504 -8.743 -15.085 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.238 -10.060 -14.513 1.00 0.00 C ATOM 1047 C LEU A 65 -9.147 -11.094 -15.630 1.00 0.00 C ATOM 1048 O LEU A 65 -8.260 -11.948 -15.624 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.358 -10.458 -13.538 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.155 -9.759 -12.182 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.907 -10.284 -11.451 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.019 -8.261 -12.413 1.00 0.00 C ATOM 0 H LEU A 65 -10.387 -8.321 -14.796 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.294 -10.021 -13.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.327 -10.185 -13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.364 -11.539 -13.401 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.020 -9.972 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.798 -9.766 -10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.013 -11.354 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.024 -10.105 -12.064 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.875 -7.757 -11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.161 -8.069 -13.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.923 -7.883 -12.890 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.059 -11.006 -16.596 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.049 -11.941 -17.715 1.00 0.00 C ATOM 1066 C ALA A 66 -8.774 -11.767 -18.531 1.00 0.00 C ATOM 1067 O ALA A 66 -8.129 -12.742 -18.914 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.265 -11.709 -18.611 1.00 0.00 C ATOM 0 H ALA A 66 -10.802 -10.308 -16.626 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.087 -12.956 -17.319 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.244 -12.414 -19.442 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.177 -11.857 -18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.242 -10.690 -18.999 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.413 -10.514 -18.785 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.207 -10.216 -19.548 1.00 0.00 C ATOM 1076 C LEU A 67 -5.962 -10.599 -18.757 1.00 0.00 C ATOM 1077 O LEU A 67 -4.991 -11.105 -19.319 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.158 -8.728 -19.897 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.296 -8.385 -20.870 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.351 -6.866 -21.056 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.066 -9.075 -22.232 1.00 0.00 C ATOM 0 H LEU A 67 -8.934 -9.693 -18.476 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.232 -10.800 -20.468 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.249 -8.129 -18.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.196 -8.482 -20.347 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.241 -8.741 -20.460 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.156 -6.613 -21.746 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.534 -6.388 -20.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.402 -6.514 -21.461 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.881 -8.822 -22.910 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.121 -8.735 -22.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.033 -10.155 -22.092 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.991 -10.352 -17.451 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.853 -10.676 -16.603 1.00 0.00 C ATOM 1095 C LEU A 68 -4.718 -12.185 -16.477 1.00 0.00 C ATOM 1096 O LEU A 68 -5.666 -12.869 -16.089 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.046 -10.055 -15.214 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.792 -10.270 -14.351 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.600 -9.490 -14.936 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.080 -9.783 -12.927 1.00 0.00 C ATOM 0 H LEU A 68 -6.782 -9.933 -16.962 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.946 -10.272 -17.053 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.250 -8.989 -15.311 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.912 -10.502 -14.726 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.540 -11.330 -14.338 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.719 -9.652 -14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.399 -9.839 -15.949 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.837 -8.426 -14.959 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.196 -9.931 -12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.334 -8.723 -12.949 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.914 -10.348 -12.511 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.540 -12.706 -16.807 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.322 -14.144 -16.724 1.00 0.00 C ATOM 1114 C GLU A 69 -3.138 -14.562 -15.272 1.00 0.00 C ATOM 1115 O GLU A 69 -2.170 -14.165 -14.620 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.083 -14.540 -17.529 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.319 -14.249 -19.011 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.067 -14.592 -19.811 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.107 -15.042 -19.208 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.086 -14.399 -21.016 1.00 0.00 O ATOM 0 H GLU A 69 -2.737 -12.166 -17.128 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.194 -14.650 -17.138 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.214 -13.987 -17.173 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.867 -15.599 -17.386 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.165 -14.832 -19.375 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.573 -13.198 -19.149 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.072 -15.370 -14.766 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.004 -15.840 -13.381 1.00 0.00 C ATOM 1129 C VAL A 70 -4.225 -17.346 -13.311 1.00 0.00 C ATOM 1130 O VAL A 70 -4.805 -17.939 -14.221 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.066 -15.138 -12.528 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.744 -13.645 -12.409 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.438 -15.309 -13.187 1.00 0.00 C ATOM 0 H VAL A 70 -4.878 -15.710 -15.290 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.012 -15.605 -12.996 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.074 -15.581 -11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.505 -13.156 -11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.768 -13.520 -11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.729 -13.196 -13.402 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.196 -14.811 -12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.420 -14.868 -14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.675 -16.370 -13.264 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.767 -17.961 -12.218 1.00 0.00 N ATOM 1144 CA GLU A 71 -3.931 -19.410 -12.039 1.00 0.00 C ATOM 1145 C GLU A 71 -4.203 -19.738 -10.575 1.00 0.00 C ATOM 1146 O GLU A 71 -3.657 -19.100 -9.675 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.662 -20.149 -12.497 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.000 -21.600 -12.860 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.794 -21.643 -14.162 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -3.944 -20.599 -14.775 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.238 -22.719 -14.527 1.00 0.00 O ATOM 0 H GLU A 71 -3.286 -17.489 -11.452 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.778 -19.735 -12.643 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.227 -19.642 -13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.914 -20.129 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.083 -22.180 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.577 -22.059 -12.057 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.037 -20.745 -10.345 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.358 -21.157 -8.985 1.00 0.00 C ATOM 1160 C ALA A 72 -4.138 -21.798 -8.335 1.00 0.00 C ATOM 1161 O ALA A 72 -3.398 -22.540 -8.983 1.00 0.00 O ATOM 1162 CB ALA A 72 -6.513 -22.159 -9.003 1.00 0.00 C ATOM 0 H ALA A 72 -5.499 -21.287 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.652 -20.279 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.747 -22.462 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.390 -21.695 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.226 -23.035 -9.585 1.00 0.00 H new ATOM 1168 N VAL A 73 -3.930 -21.510 -7.054 1.00 0.00 N ATOM 1169 CA VAL A 73 -2.790 -22.066 -6.326 1.00 0.00 C ATOM 1170 C VAL A 73 -3.204 -23.327 -5.573 1.00 0.00 C ATOM 1171 O VAL A 73 -4.191 -23.326 -4.838 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.260 -21.030 -5.335 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.112 -21.636 -4.525 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -1.754 -19.810 -6.106 1.00 0.00 C ATOM 0 H VAL A 73 -4.530 -20.899 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.008 -22.323 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.059 -20.730 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.735 -20.896 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.472 -22.508 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.310 -21.936 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.375 -19.068 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.954 -20.113 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.572 -19.379 -6.683 1.00 0.00 H new