USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 962 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 37 GLN : amide:sc= 0.652 K(o=1.4,f=-1.7!) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -0.524 K(o=1.4,f=-7!) USER MOD Set 1.3: B 3 THR OG1 : rot 105:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 10 MET CE :methyl -109:sc= -0.366 (180deg=-3.55!) USER MOD Single : A 15 CYS SG : rot -78:sc= 0.418 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= 1.18 (180deg=-0.323) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 24 TYR OH : rot -155:sc= -0.0213 USER MOD Single : A 27 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.7!) USER MOD Single : A 29 HIS : no HE2:sc= -1.81! C(o=-1.8!,f=-5.9!) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.0155 (180deg=-0.218) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0449) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -72:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.165 K(o=-0.17,f=-8.9!) USER MOD Single : A 66 ASN : amide:sc= 1.98 K(o=2,f=-4.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 102:sc= -0.202 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.06) USER MOD Single : A 77 SER OG : rot 90:sc= 1.27 USER MOD Single : A 84 ASN : amide:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 95 THR OG1 : rot 88:sc= 1.07 USER MOD Single : A 98 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.3!) USER MOD Single : A 100 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 1.09 K(o=1.1,f=-4.3!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : B 1 GLN : amide:sc=-0.00763 K(o=-0.0076,f=-1) USER MOD Single : B 1 GLN N :NH3+ 173:sc=-0.00133 (180deg=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -21.170 -22.066 3.632 1.00 0.00 N ATOM 2 CA GLY A 4 -21.174 -20.847 2.789 1.00 0.00 C ATOM 3 C GLY A 4 -20.019 -19.931 3.128 1.00 0.00 C ATOM 4 O GLY A 4 -19.738 -19.690 4.302 1.00 0.00 O ATOM 0 HA2 GLY A 4 -21.118 -21.131 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.114 -20.313 2.925 1.00 0.00 H new ATOM 10 N ILE A 5 -19.340 -19.427 2.107 1.00 0.00 N ATOM 11 CA ILE A 5 -18.209 -18.534 2.308 1.00 0.00 C ATOM 12 C ILE A 5 -18.331 -17.313 1.409 1.00 0.00 C ATOM 13 O ILE A 5 -19.242 -17.224 0.587 1.00 0.00 O ATOM 14 CB ILE A 5 -16.850 -19.239 2.046 1.00 0.00 C ATOM 15 CG1 ILE A 5 -16.807 -19.884 0.654 1.00 0.00 C ATOM 16 CG2 ILE A 5 -16.565 -20.280 3.119 1.00 0.00 C ATOM 17 CD1 ILE A 5 -16.338 -18.954 -0.448 1.00 0.00 C ATOM 0 H ILE A 5 -19.554 -19.622 1.129 1.00 0.00 H new ATOM 0 HA ILE A 5 -18.229 -18.226 3.353 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.074 -18.474 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -16.147 -20.751 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -17.803 -20.251 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.608 -20.761 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -16.527 -19.796 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -17.356 -21.030 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.337 -19.488 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -17.010 -18.099 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -15.329 -18.606 -0.226 1.00 0.00 H new ATOM 29 N ASP A 6 -17.406 -16.382 1.562 1.00 0.00 N ATOM 30 CA ASP A 6 -17.387 -15.181 0.747 1.00 0.00 C ATOM 31 C ASP A 6 -16.027 -15.031 0.082 1.00 0.00 C ATOM 32 O ASP A 6 -15.010 -14.876 0.762 1.00 0.00 O ATOM 33 CB ASP A 6 -17.693 -13.946 1.590 1.00 0.00 C ATOM 34 CG ASP A 6 -19.084 -13.975 2.191 1.00 0.00 C ATOM 35 OD1 ASP A 6 -20.053 -13.607 1.495 1.00 0.00 O ATOM 36 OD2 ASP A 6 -19.214 -14.365 3.373 1.00 0.00 O ATOM 0 H ASP A 6 -16.653 -16.436 2.248 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.157 -15.272 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.958 -13.867 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.588 -13.055 0.972 1.00 0.00 H new ATOM 41 N PRO A 7 -15.994 -15.104 -1.256 1.00 0.00 N ATOM 42 CA PRO A 7 -14.754 -15.019 -2.038 1.00 0.00 C ATOM 43 C PRO A 7 -14.045 -13.681 -1.897 1.00 0.00 C ATOM 44 O PRO A 7 -14.606 -12.704 -1.397 1.00 0.00 O ATOM 45 CB PRO A 7 -15.224 -15.194 -3.485 1.00 0.00 C ATOM 46 CG PRO A 7 -16.562 -15.827 -3.380 1.00 0.00 C ATOM 47 CD PRO A 7 -17.167 -15.288 -2.119 1.00 0.00 C ATOM 0 HA PRO A 7 -14.033 -15.764 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.280 -14.235 -4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.534 -15.820 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.179 -15.584 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.480 -16.913 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.695 -14.350 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.885 -15.983 -1.684 1.00 0.00 H new ATOM 55 N PHE A 8 -12.815 -13.645 -2.378 1.00 0.00 N ATOM 56 CA PHE A 8 -12.005 -12.438 -2.337 1.00 0.00 C ATOM 57 C PHE A 8 -12.350 -11.555 -3.527 1.00 0.00 C ATOM 58 O PHE A 8 -11.574 -11.426 -4.472 1.00 0.00 O ATOM 59 CB PHE A 8 -10.508 -12.779 -2.346 1.00 0.00 C ATOM 60 CG PHE A 8 -10.018 -13.476 -1.103 1.00 0.00 C ATOM 61 CD1 PHE A 8 -10.886 -13.803 -0.070 1.00 0.00 C ATOM 62 CD2 PHE A 8 -8.680 -13.807 -0.971 1.00 0.00 C ATOM 63 CE1 PHE A 8 -10.428 -14.444 1.064 1.00 0.00 C ATOM 64 CE2 PHE A 8 -8.216 -14.447 0.162 1.00 0.00 C ATOM 65 CZ PHE A 8 -9.091 -14.767 1.180 1.00 0.00 C ATOM 0 H PHE A 8 -12.351 -14.446 -2.806 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.222 -11.903 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.298 -13.411 -3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.939 -11.859 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.933 -13.553 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.990 -13.562 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.115 -14.692 1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.169 -14.697 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.730 -15.269 2.066 1.00 0.00 H new ATOM 75 N THR A 9 -13.536 -10.979 -3.479 1.00 0.00 N ATOM 76 CA THR A 9 -14.023 -10.147 -4.560 1.00 0.00 C ATOM 77 C THR A 9 -13.589 -8.691 -4.364 1.00 0.00 C ATOM 78 O THR A 9 -13.086 -8.323 -3.297 1.00 0.00 O ATOM 79 CB THR A 9 -15.563 -10.252 -4.678 1.00 0.00 C ATOM 80 OG1 THR A 9 -16.056 -9.425 -5.738 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.241 -9.868 -3.372 1.00 0.00 C ATOM 0 H THR A 9 -14.183 -11.074 -2.696 1.00 0.00 H new ATOM 0 HA THR A 9 -13.585 -10.507 -5.491 1.00 0.00 H new ATOM 0 HB THR A 9 -15.800 -11.292 -4.904 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.031 -9.510 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.322 -9.951 -3.485 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.907 -10.536 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.981 -8.841 -3.115 1.00 0.00 H new ATOM 89 N MET A 10 -13.774 -7.889 -5.411 1.00 0.00 N ATOM 90 CA MET A 10 -13.404 -6.473 -5.429 1.00 0.00 C ATOM 91 C MET A 10 -11.889 -6.309 -5.479 1.00 0.00 C ATOM 92 O MET A 10 -11.340 -6.004 -6.535 1.00 0.00 O ATOM 93 CB MET A 10 -14.002 -5.718 -4.233 1.00 0.00 C ATOM 94 CG MET A 10 -14.021 -4.202 -4.399 1.00 0.00 C ATOM 95 SD MET A 10 -12.412 -3.428 -4.168 1.00 0.00 S ATOM 96 CE MET A 10 -12.808 -1.718 -4.514 1.00 0.00 C ATOM 0 H MET A 10 -14.192 -8.209 -6.285 1.00 0.00 H new ATOM 0 HA MET A 10 -13.823 -6.034 -6.334 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.021 -6.067 -4.070 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.432 -5.967 -3.338 1.00 0.00 H new ATOM 0 HG2 MET A 10 -14.391 -3.959 -5.395 1.00 0.00 H new ATOM 0 HG3 MET A 10 -14.725 -3.776 -3.684 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.366 -1.428 -5.467 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.890 -1.598 -4.564 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.409 -1.085 -3.722 1.00 0.00 H new ATOM 106 N LEU A 11 -11.222 -6.555 -4.352 1.00 0.00 N ATOM 107 CA LEU A 11 -9.773 -6.368 -4.240 1.00 0.00 C ATOM 108 C LEU A 11 -9.404 -4.914 -4.542 1.00 0.00 C ATOM 109 O LEU A 11 -9.194 -4.540 -5.699 1.00 0.00 O ATOM 110 CB LEU A 11 -9.024 -7.328 -5.176 1.00 0.00 C ATOM 111 CG LEU A 11 -9.403 -8.805 -5.030 1.00 0.00 C ATOM 112 CD1 LEU A 11 -8.623 -9.657 -6.017 1.00 0.00 C ATOM 113 CD2 LEU A 11 -9.160 -9.279 -3.606 1.00 0.00 C ATOM 0 H LEU A 11 -11.665 -6.887 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.472 -6.597 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.206 -7.022 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.954 -7.224 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.465 -8.911 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.906 -10.703 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.847 -9.334 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.555 -9.546 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.435 -10.330 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.106 -9.158 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.765 -8.689 -2.918 1.00 0.00 H new ATOM 125 N PRO A 12 -9.316 -4.080 -3.493 1.00 0.00 N ATOM 126 CA PRO A 12 -9.167 -2.627 -3.633 1.00 0.00 C ATOM 127 C PRO A 12 -7.862 -2.206 -4.299 1.00 0.00 C ATOM 128 O PRO A 12 -6.986 -3.026 -4.582 1.00 0.00 O ATOM 129 CB PRO A 12 -9.212 -2.116 -2.189 1.00 0.00 C ATOM 130 CG PRO A 12 -8.818 -3.284 -1.359 1.00 0.00 C ATOM 131 CD PRO A 12 -9.343 -4.492 -2.082 1.00 0.00 C ATOM 0 HA PRO A 12 -9.945 -2.219 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.528 -1.280 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.209 -1.762 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.735 -3.336 -1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.241 -3.213 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.719 -5.368 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.351 -4.749 -1.757 1.00 0.00 H new ATOM 139 N ARG A 13 -7.745 -0.911 -4.538 1.00 0.00 N ATOM 140 CA ARG A 13 -6.587 -0.351 -5.205 1.00 0.00 C ATOM 141 C ARG A 13 -5.878 0.630 -4.282 1.00 0.00 C ATOM 142 O ARG A 13 -6.519 1.466 -3.643 1.00 0.00 O ATOM 143 CB ARG A 13 -7.020 0.338 -6.507 1.00 0.00 C ATOM 144 CG ARG A 13 -8.076 1.416 -6.306 1.00 0.00 C ATOM 145 CD ARG A 13 -8.700 1.845 -7.624 1.00 0.00 C ATOM 146 NE ARG A 13 -9.714 2.882 -7.434 1.00 0.00 N ATOM 147 CZ ARG A 13 -10.997 2.631 -7.167 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.433 1.380 -7.089 1.00 0.00 N ATOM 149 NH2 ARG A 13 -11.852 3.631 -6.989 1.00 0.00 N ATOM 0 H ARG A 13 -8.449 -0.222 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.890 -1.152 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.145 0.783 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.407 -0.414 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.854 1.044 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.625 2.280 -5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.922 2.216 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.151 0.980 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.423 3.856 -7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.786 0.605 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.415 1.194 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.529 4.596 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.832 3.434 -6.785 1.00 0.00 H new ATOM 163 N LEU A 14 -4.566 0.504 -4.190 1.00 0.00 N ATOM 164 CA LEU A 14 -3.776 1.395 -3.362 1.00 0.00 C ATOM 165 C LEU A 14 -3.316 2.582 -4.195 1.00 0.00 C ATOM 166 O LEU A 14 -2.413 2.461 -5.026 1.00 0.00 O ATOM 167 CB LEU A 14 -2.573 0.657 -2.770 1.00 0.00 C ATOM 168 CG LEU A 14 -1.716 1.475 -1.803 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.527 1.884 -0.582 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.485 0.685 -1.392 1.00 0.00 C ATOM 0 H LEU A 14 -4.025 -0.209 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.390 1.752 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.932 -0.231 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.940 0.313 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.389 2.382 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.899 2.465 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.378 2.488 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.885 0.992 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.116 1.279 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.792 -0.238 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.106 0.446 -2.276 1.00 0.00 H new ATOM 182 N CYS A 15 -3.943 3.721 -3.980 1.00 0.00 N ATOM 183 CA CYS A 15 -3.677 4.892 -4.789 1.00 0.00 C ATOM 184 C CYS A 15 -2.645 5.789 -4.122 1.00 0.00 C ATOM 185 O CYS A 15 -2.919 6.422 -3.104 1.00 0.00 O ATOM 186 CB CYS A 15 -4.976 5.662 -5.029 1.00 0.00 C ATOM 187 SG CYS A 15 -6.256 4.683 -5.845 1.00 0.00 S ATOM 0 H CYS A 15 -4.642 3.860 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.272 4.567 -5.748 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.358 6.020 -4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.761 6.541 -5.636 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.994 4.599 -7.116 1.00 0.00 H new ATOM 193 N CYS A 16 -1.454 5.833 -4.692 1.00 0.00 N ATOM 194 CA CYS A 16 -0.423 6.729 -4.207 1.00 0.00 C ATOM 195 C CYS A 16 -0.534 8.065 -4.928 1.00 0.00 C ATOM 196 O CYS A 16 -0.214 8.174 -6.111 1.00 0.00 O ATOM 197 CB CYS A 16 0.963 6.117 -4.421 1.00 0.00 C ATOM 198 SG CYS A 16 1.231 4.564 -3.526 1.00 0.00 S ATOM 0 H CYS A 16 -1.179 5.260 -5.489 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.560 6.887 -3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.110 5.940 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.719 6.838 -4.110 1.00 0.00 H new ATOM 0 HG CYS A 16 2.429 4.123 -3.771 1.00 0.00 H new ATOM 204 N LEU A 17 -1.010 9.071 -4.215 1.00 0.00 N ATOM 205 CA LEU A 17 -1.214 10.385 -4.801 1.00 0.00 C ATOM 206 C LEU A 17 0.036 11.242 -4.664 1.00 0.00 C ATOM 207 O LEU A 17 0.706 11.226 -3.629 1.00 0.00 O ATOM 208 CB LEU A 17 -2.418 11.095 -4.163 1.00 0.00 C ATOM 209 CG LEU A 17 -3.788 10.737 -4.748 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.167 9.303 -4.425 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.848 11.687 -4.224 1.00 0.00 C ATOM 0 H LEU A 17 -1.263 9.003 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.422 10.244 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.428 10.867 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.273 12.171 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.725 10.835 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.144 9.079 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.423 8.626 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.207 9.172 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.816 11.421 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.895 11.616 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.595 12.708 -4.510 1.00 0.00 H new ATOM 223 N GLU A 18 0.346 11.979 -5.721 1.00 0.00 N ATOM 224 CA GLU A 18 1.500 12.861 -5.740 1.00 0.00 C ATOM 225 C GLU A 18 1.070 14.281 -5.395 1.00 0.00 C ATOM 226 O GLU A 18 0.041 14.755 -5.881 1.00 0.00 O ATOM 227 CB GLU A 18 2.143 12.866 -7.129 1.00 0.00 C ATOM 228 CG GLU A 18 2.447 11.488 -7.686 1.00 0.00 C ATOM 229 CD GLU A 18 3.593 10.805 -6.978 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.704 11.373 -6.964 1.00 0.00 O ATOM 231 OE2 GLU A 18 3.395 9.686 -6.467 1.00 0.00 O ATOM 0 H GLU A 18 -0.194 11.981 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 18 2.221 12.500 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.480 13.386 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.069 13.439 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.556 10.866 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.682 11.575 -8.747 1.00 0.00 H new ATOM 238 N LYS A 19 1.844 14.953 -4.558 1.00 0.00 N ATOM 239 CA LYS A 19 1.579 16.345 -4.239 1.00 0.00 C ATOM 240 C LYS A 19 1.906 17.221 -5.440 1.00 0.00 C ATOM 241 O LYS A 19 3.058 17.303 -5.871 1.00 0.00 O ATOM 242 CB LYS A 19 2.390 16.793 -3.016 1.00 0.00 C ATOM 243 CG LYS A 19 2.236 18.275 -2.686 1.00 0.00 C ATOM 244 CD LYS A 19 0.805 18.641 -2.321 1.00 0.00 C ATOM 245 CE LYS A 19 0.361 17.976 -1.028 1.00 0.00 C ATOM 246 NZ LYS A 19 1.138 18.456 0.147 1.00 0.00 N ATOM 0 H LYS A 19 2.659 14.558 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 19 0.521 16.449 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.083 16.204 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.444 16.577 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.896 18.531 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.554 18.870 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.722 19.723 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.137 18.344 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.699 18.173 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.474 16.896 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.669 17.663 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.802 19.197 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.487 18.844 0.859 1.00 0.00 H new ATOM 260 N GLY A 20 0.881 17.844 -5.992 1.00 0.00 N ATOM 261 CA GLY A 20 1.069 18.738 -7.113 1.00 0.00 C ATOM 262 C GLY A 20 1.229 20.175 -6.661 1.00 0.00 C ATOM 263 O GLY A 20 1.559 20.426 -5.500 1.00 0.00 O ATOM 0 H GLY A 20 -0.086 17.746 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.950 18.434 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.216 18.661 -7.787 1.00 0.00 H new ATOM 267 N PRO A 21 1.001 21.144 -7.557 1.00 0.00 N ATOM 268 CA PRO A 21 1.104 22.567 -7.223 1.00 0.00 C ATOM 269 C PRO A 21 0.111 22.967 -6.133 1.00 0.00 C ATOM 270 O PRO A 21 0.465 23.660 -5.173 1.00 0.00 O ATOM 271 CB PRO A 21 0.777 23.281 -8.542 1.00 0.00 C ATOM 272 CG PRO A 21 0.079 22.263 -9.380 1.00 0.00 C ATOM 273 CD PRO A 21 0.634 20.930 -8.966 1.00 0.00 C ATOM 0 HA PRO A 21 2.087 22.824 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.143 24.151 -8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.683 23.638 -9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.999 22.302 -9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.253 22.445 -10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.104 20.135 -9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.497 20.648 -9.569 1.00 0.00 H new ATOM 281 N ASN A 22 -1.125 22.505 -6.277 1.00 0.00 N ATOM 282 CA ASN A 22 -2.183 22.829 -5.330 1.00 0.00 C ATOM 283 C ASN A 22 -2.862 21.564 -4.819 1.00 0.00 C ATOM 284 O ASN A 22 -4.040 21.343 -5.082 1.00 0.00 O ATOM 285 CB ASN A 22 -3.238 23.740 -5.978 1.00 0.00 C ATOM 286 CG ASN A 22 -2.712 25.120 -6.325 1.00 0.00 C ATOM 287 OD1 ASN A 22 -1.814 25.644 -5.664 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.275 25.725 -7.362 1.00 0.00 N ATOM 0 H ASN A 22 -1.420 21.902 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.722 23.352 -4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.611 23.263 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.085 23.842 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.967 26.658 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.016 25.258 -7.884 1.00 0.00 H new ATOM 295 N GLY A 23 -2.115 20.723 -4.111 1.00 0.00 N ATOM 296 CA GLY A 23 -2.713 19.552 -3.511 1.00 0.00 C ATOM 297 C GLY A 23 -2.638 18.336 -4.407 1.00 0.00 C ATOM 298 O GLY A 23 -1.556 17.964 -4.864 1.00 0.00 O ATOM 0 H GLY A 23 -1.115 20.833 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.211 19.335 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.757 19.762 -3.276 1.00 0.00 H new ATOM 302 N TYR A 24 -3.782 17.723 -4.667 1.00 0.00 N ATOM 303 CA TYR A 24 -3.827 16.479 -5.423 1.00 0.00 C ATOM 304 C TYR A 24 -4.836 16.557 -6.566 1.00 0.00 C ATOM 305 O TYR A 24 -4.702 15.857 -7.565 1.00 0.00 O ATOM 306 CB TYR A 24 -4.153 15.309 -4.492 1.00 0.00 C ATOM 307 CG TYR A 24 -3.197 15.206 -3.324 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.951 14.618 -3.476 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.530 15.729 -2.082 1.00 0.00 C ATOM 310 CE1 TYR A 24 -1.066 14.539 -2.420 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.649 15.660 -1.021 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.416 15.067 -1.197 1.00 0.00 C ATOM 313 OH TYR A 24 -0.529 15.004 -0.146 1.00 0.00 O ATOM 0 H TYR A 24 -4.694 18.067 -4.366 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.844 16.315 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.169 15.423 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.126 14.380 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.668 14.215 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.493 16.197 -1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.104 14.066 -2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.924 16.068 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.022 15.037 0.700 1.00 0.00 H new ATOM 323 N GLY A 25 -5.857 17.385 -6.399 1.00 0.00 N ATOM 324 CA GLY A 25 -6.752 17.689 -7.495 1.00 0.00 C ATOM 325 C GLY A 25 -8.124 17.053 -7.364 1.00 0.00 C ATOM 326 O GLY A 25 -8.790 16.808 -8.375 1.00 0.00 O ATOM 0 H GLY A 25 -6.082 17.853 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.869 18.770 -7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.295 17.356 -8.427 1.00 0.00 H new ATOM 330 N PHE A 26 -8.571 16.790 -6.141 1.00 0.00 N ATOM 331 CA PHE A 26 -9.906 16.244 -5.953 1.00 0.00 C ATOM 332 C PHE A 26 -10.629 16.988 -4.845 1.00 0.00 C ATOM 333 O PHE A 26 -10.013 17.670 -4.039 1.00 0.00 O ATOM 334 CB PHE A 26 -9.870 14.736 -5.658 1.00 0.00 C ATOM 335 CG PHE A 26 -9.166 14.349 -4.387 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.782 14.332 -4.320 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.890 13.981 -3.264 1.00 0.00 C ATOM 338 CE1 PHE A 26 -7.136 13.957 -3.158 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.248 13.607 -2.099 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.869 13.595 -2.047 1.00 0.00 C ATOM 0 H PHE A 26 -8.041 16.942 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.453 16.380 -6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.894 14.366 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.384 14.230 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.202 14.615 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.969 13.987 -3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.057 13.947 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.824 13.325 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.365 13.303 -1.138 1.00 0.00 H new ATOM 350 N HIS A 27 -11.939 16.872 -4.823 1.00 0.00 N ATOM 351 CA HIS A 27 -12.734 17.523 -3.802 1.00 0.00 C ATOM 352 C HIS A 27 -13.159 16.512 -2.757 1.00 0.00 C ATOM 353 O HIS A 27 -13.887 15.570 -3.058 1.00 0.00 O ATOM 354 CB HIS A 27 -13.976 18.181 -4.412 1.00 0.00 C ATOM 355 CG HIS A 27 -13.705 19.456 -5.148 1.00 0.00 C ATOM 356 ND1 HIS A 27 -14.067 20.691 -4.663 1.00 0.00 N ATOM 357 CD2 HIS A 27 -13.120 19.684 -6.348 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.720 21.624 -5.528 1.00 0.00 C ATOM 359 NE2 HIS A 27 -13.142 21.040 -6.562 1.00 0.00 N ATOM 0 H HIS A 27 -12.478 16.333 -5.501 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.123 18.297 -3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.447 17.475 -5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.693 18.381 -3.616 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -14.532 20.859 -3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.712 18.938 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.881 22.685 -5.411 1.00 0.00 H new ATOM 368 N LEU A 28 -12.693 16.704 -1.541 1.00 0.00 N ATOM 369 CA LEU A 28 -13.048 15.828 -0.446 1.00 0.00 C ATOM 370 C LEU A 28 -14.089 16.530 0.412 1.00 0.00 C ATOM 371 O LEU A 28 -13.835 17.609 0.949 1.00 0.00 O ATOM 372 CB LEU A 28 -11.788 15.487 0.371 1.00 0.00 C ATOM 373 CG LEU A 28 -11.887 14.296 1.343 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.765 14.619 2.541 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.404 13.060 0.625 1.00 0.00 C ATOM 0 H LEU A 28 -12.063 17.465 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.467 14.893 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.975 15.288 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.507 16.370 0.945 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.882 14.093 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.810 13.754 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.346 15.468 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.770 14.867 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.467 12.230 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.393 13.264 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.723 12.798 -0.185 1.00 0.00 H new ATOM 387 N HIS A 29 -15.261 15.929 0.540 1.00 0.00 N ATOM 388 CA HIS A 29 -16.303 16.521 1.357 1.00 0.00 C ATOM 389 C HIS A 29 -16.577 15.648 2.567 1.00 0.00 C ATOM 390 O HIS A 29 -16.800 14.442 2.446 1.00 0.00 O ATOM 391 CB HIS A 29 -17.595 16.793 0.556 1.00 0.00 C ATOM 392 CG HIS A 29 -18.338 15.576 0.076 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.520 15.139 0.645 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.089 14.732 -0.953 1.00 0.00 C ATOM 395 CE1 HIS A 29 -19.958 14.082 -0.014 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.110 13.817 -0.985 1.00 0.00 N ATOM 0 H HIS A 29 -15.511 15.045 0.096 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.944 17.492 1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.268 17.384 1.178 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.341 17.405 -0.310 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -19.981 15.566 1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.244 14.772 -1.624 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.859 13.529 0.206 1.00 0.00 H new ATOM 405 N GLY A 30 -16.526 16.271 3.729 1.00 0.00 N ATOM 406 CA GLY A 30 -16.775 15.570 4.964 1.00 0.00 C ATOM 407 C GLY A 30 -17.964 16.161 5.676 1.00 0.00 C ATOM 408 O GLY A 30 -18.034 17.375 5.867 1.00 0.00 O ATOM 0 H GLY A 30 -16.314 17.263 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.954 14.514 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.895 15.626 5.605 1.00 0.00 H new ATOM 412 N GLU A 31 -18.897 15.315 6.064 1.00 0.00 N ATOM 413 CA GLU A 31 -20.158 15.780 6.608 1.00 0.00 C ATOM 414 C GLU A 31 -20.453 15.119 7.942 1.00 0.00 C ATOM 415 O GLU A 31 -19.850 14.105 8.279 1.00 0.00 O ATOM 416 CB GLU A 31 -21.282 15.505 5.610 1.00 0.00 C ATOM 417 CG GLU A 31 -21.072 16.210 4.280 1.00 0.00 C ATOM 418 CD GLU A 31 -22.154 15.903 3.274 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.338 15.844 3.667 1.00 0.00 O ATOM 420 OE2 GLU A 31 -21.826 15.740 2.080 1.00 0.00 O ATOM 0 H GLU A 31 -18.806 14.300 6.013 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.089 16.854 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.356 14.431 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.231 15.825 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.034 17.286 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.106 15.917 3.868 1.00 0.00 H new ATOM 427 N LYS A 32 -21.343 15.746 8.715 1.00 0.00 N ATOM 428 CA LYS A 32 -21.794 15.227 10.010 1.00 0.00 C ATOM 429 C LYS A 32 -20.732 15.399 11.096 1.00 0.00 C ATOM 430 O LYS A 32 -21.048 15.400 12.288 1.00 0.00 O ATOM 431 CB LYS A 32 -22.224 13.758 9.905 1.00 0.00 C ATOM 432 CG LYS A 32 -23.401 13.540 8.965 1.00 0.00 C ATOM 433 CD LYS A 32 -23.903 12.107 9.016 1.00 0.00 C ATOM 434 CE LYS A 32 -24.423 11.742 10.398 1.00 0.00 C ATOM 435 NZ LYS A 32 -25.539 12.625 10.828 1.00 0.00 N ATOM 0 H LYS A 32 -21.774 16.634 8.459 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.663 15.818 10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.378 13.163 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.488 13.392 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.211 14.219 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.103 13.785 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.697 11.973 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.096 11.429 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.762 10.706 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.609 11.809 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.005 12.214 11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -25.165 13.565 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.229 12.715 10.055 1.00 0.00 H new ATOM 449 N GLY A 33 -19.481 15.544 10.689 1.00 0.00 N ATOM 450 CA GLY A 33 -18.415 15.790 11.634 1.00 0.00 C ATOM 451 C GLY A 33 -17.230 14.883 11.399 1.00 0.00 C ATOM 452 O GLY A 33 -16.191 15.323 10.901 1.00 0.00 O ATOM 0 H GLY A 33 -19.184 15.495 9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.096 16.830 11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.788 15.644 12.648 1.00 0.00 H new ATOM 456 N LYS A 34 -17.396 13.613 11.745 1.00 0.00 N ATOM 457 CA LYS A 34 -16.337 12.628 11.599 1.00 0.00 C ATOM 458 C LYS A 34 -16.687 11.638 10.502 1.00 0.00 C ATOM 459 O LYS A 34 -15.936 11.451 9.549 1.00 0.00 O ATOM 460 CB LYS A 34 -16.126 11.862 12.909 1.00 0.00 C ATOM 461 CG LYS A 34 -15.754 12.733 14.097 1.00 0.00 C ATOM 462 CD LYS A 34 -15.475 11.883 15.328 1.00 0.00 C ATOM 463 CE LYS A 34 -15.019 12.723 16.513 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.063 13.681 16.961 1.00 0.00 N ATOM 0 H LYS A 34 -18.263 13.240 12.132 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.420 13.157 11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.039 11.316 13.147 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.341 11.120 12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.874 13.329 13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.564 13.432 14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.376 11.333 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.709 11.144 15.092 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.753 12.065 17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.118 13.272 16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.747 14.158 17.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.226 14.389 16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.947 13.167 17.150 1.00 0.00 H new ATOM 478 N LEU A 35 -17.843 11.014 10.639 1.00 0.00 N ATOM 479 CA LEU A 35 -18.234 9.961 9.722 1.00 0.00 C ATOM 480 C LEU A 35 -18.813 10.535 8.440 1.00 0.00 C ATOM 481 O LEU A 35 -19.867 11.172 8.453 1.00 0.00 O ATOM 482 CB LEU A 35 -19.258 9.034 10.367 1.00 0.00 C ATOM 483 CG LEU A 35 -18.833 8.402 11.693 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.950 7.529 12.231 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.560 7.586 11.523 1.00 0.00 C ATOM 0 H LEU A 35 -18.523 11.217 11.372 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.336 9.393 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.178 9.596 10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.493 8.236 9.663 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.630 9.201 12.406 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.640 7.082 13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.841 8.136 12.392 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.173 6.740 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.279 7.147 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.731 6.792 10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.757 8.234 11.171 1.00 0.00 H new ATOM 497 N GLY A 36 -18.130 10.286 7.337 1.00 0.00 N ATOM 498 CA GLY A 36 -18.636 10.710 6.048 1.00 0.00 C ATOM 499 C GLY A 36 -17.608 11.444 5.210 1.00 0.00 C ATOM 500 O GLY A 36 -17.765 12.633 4.938 1.00 0.00 O ATOM 0 H GLY A 36 -17.235 9.798 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.986 9.836 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.500 11.358 6.200 1.00 0.00 H new ATOM 504 N GLN A 37 -16.559 10.741 4.798 1.00 0.00 N ATOM 505 CA GLN A 37 -15.569 11.316 3.893 1.00 0.00 C ATOM 506 C GLN A 37 -15.757 10.725 2.498 1.00 0.00 C ATOM 507 O GLN A 37 -15.593 9.517 2.306 1.00 0.00 O ATOM 508 CB GLN A 37 -14.139 11.023 4.375 1.00 0.00 C ATOM 509 CG GLN A 37 -13.910 11.244 5.862 1.00 0.00 C ATOM 510 CD GLN A 37 -14.182 12.665 6.318 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.016 13.633 5.564 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.597 12.800 7.563 1.00 0.00 N ATOM 0 H GLN A 37 -16.372 9.777 5.074 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.712 12.396 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.894 9.989 4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.446 11.653 3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.549 10.563 6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.879 10.986 6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.721 11.976 8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.794 13.728 7.937 1.00 0.00 H new ATOM 521 N TYR A 38 -16.106 11.563 1.528 1.00 0.00 N ATOM 522 CA TYR A 38 -16.362 11.093 0.166 1.00 0.00 C ATOM 523 C TYR A 38 -15.741 12.038 -0.854 1.00 0.00 C ATOM 524 O TYR A 38 -15.523 13.218 -0.566 1.00 0.00 O ATOM 525 CB TYR A 38 -17.870 10.989 -0.096 1.00 0.00 C ATOM 526 CG TYR A 38 -18.611 10.090 0.867 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.597 8.712 0.706 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.321 10.620 1.937 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.271 7.885 1.586 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.998 9.801 2.819 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.967 8.434 2.641 1.00 0.00 C ATOM 532 OH TYR A 38 -20.637 7.614 3.521 1.00 0.00 O ATOM 0 H TYR A 38 -16.219 12.569 1.656 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.910 10.106 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.304 11.988 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.026 10.621 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.051 8.279 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.344 11.690 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.252 6.814 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.549 10.229 3.644 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.075 8.159 4.207 1.00 0.00 H new ATOM 542 N ILE A 39 -15.457 11.516 -2.040 1.00 0.00 N ATOM 543 CA ILE A 39 -14.917 12.328 -3.120 1.00 0.00 C ATOM 544 C ILE A 39 -16.055 12.978 -3.902 1.00 0.00 C ATOM 545 O ILE A 39 -16.974 12.299 -4.356 1.00 0.00 O ATOM 546 CB ILE A 39 -14.068 11.496 -4.105 1.00 0.00 C ATOM 547 CG1 ILE A 39 -13.102 10.566 -3.359 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.301 12.419 -5.044 1.00 0.00 C ATOM 549 CD1 ILE A 39 -12.079 11.286 -2.515 1.00 0.00 C ATOM 0 H ILE A 39 -15.592 10.533 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.279 13.083 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.742 10.873 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.679 9.898 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.583 9.941 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.705 11.822 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.005 13.031 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.643 13.065 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.436 10.557 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.474 11.933 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.587 11.889 -1.763 1.00 0.00 H new ATOM 561 N ARG A 40 -15.984 14.292 -4.054 1.00 0.00 N ATOM 562 CA ARG A 40 -17.010 15.048 -4.762 1.00 0.00 C ATOM 563 C ARG A 40 -16.693 15.129 -6.252 1.00 0.00 C ATOM 564 O ARG A 40 -17.561 14.905 -7.092 1.00 0.00 O ATOM 565 CB ARG A 40 -17.123 16.462 -4.182 1.00 0.00 C ATOM 566 CG ARG A 40 -18.119 17.352 -4.912 1.00 0.00 C ATOM 567 CD ARG A 40 -19.555 16.917 -4.668 1.00 0.00 C ATOM 568 NE ARG A 40 -19.978 17.176 -3.290 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.188 16.876 -2.815 1.00 0.00 C ATOM 570 NH1 ARG A 40 -22.099 16.323 -3.607 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.493 17.143 -1.553 1.00 0.00 N ATOM 0 H ARG A 40 -15.219 14.863 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.960 14.529 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.414 16.392 -3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.141 16.934 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.992 18.384 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.910 17.329 -5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.216 17.445 -5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.654 15.853 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.308 17.611 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.875 16.126 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.023 16.095 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.802 17.579 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.419 16.913 -1.192 1.00 0.00 H new ATOM 585 N LEU A 41 -15.447 15.455 -6.576 1.00 0.00 N ATOM 586 CA LEU A 41 -15.044 15.629 -7.966 1.00 0.00 C ATOM 587 C LEU A 41 -13.533 15.513 -8.107 1.00 0.00 C ATOM 588 O LEU A 41 -12.792 15.942 -7.225 1.00 0.00 O ATOM 589 CB LEU A 41 -15.510 16.995 -8.486 1.00 0.00 C ATOM 590 CG LEU A 41 -15.190 17.287 -9.954 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.885 16.286 -10.862 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.596 18.710 -10.313 1.00 0.00 C ATOM 0 H LEU A 41 -14.700 15.604 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.511 14.842 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.588 17.069 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.055 17.772 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.114 17.189 -10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.645 16.510 -11.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.546 15.279 -10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.963 16.350 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.362 18.902 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.667 18.834 -10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.050 19.414 -9.684 1.00 0.00 H new ATOM 604 N VAL A 42 -13.090 14.921 -9.208 1.00 0.00 N ATOM 605 CA VAL A 42 -11.669 14.801 -9.507 1.00 0.00 C ATOM 606 C VAL A 42 -11.375 15.461 -10.847 1.00 0.00 C ATOM 607 O VAL A 42 -12.008 15.140 -11.853 1.00 0.00 O ATOM 608 CB VAL A 42 -11.216 13.324 -9.551 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.718 13.223 -9.788 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.601 12.604 -8.270 1.00 0.00 C ATOM 0 H VAL A 42 -13.701 14.513 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.115 15.299 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.727 12.841 -10.384 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.424 12.174 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.467 13.695 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.187 13.728 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.272 11.566 -8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.124 13.093 -7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.683 12.636 -8.146 1.00 0.00 H new ATOM 620 N GLU A 43 -10.423 16.382 -10.858 1.00 0.00 N ATOM 621 CA GLU A 43 -10.123 17.147 -12.048 1.00 0.00 C ATOM 622 C GLU A 43 -9.213 16.348 -12.981 1.00 0.00 C ATOM 623 O GLU A 43 -8.294 15.682 -12.510 1.00 0.00 O ATOM 624 CB GLU A 43 -9.461 18.467 -11.646 1.00 0.00 C ATOM 625 CG GLU A 43 -9.504 19.516 -12.733 1.00 0.00 C ATOM 626 CD GLU A 43 -8.887 20.828 -12.305 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.663 20.998 -12.479 1.00 0.00 O ATOM 628 OE2 GLU A 43 -9.626 21.702 -11.805 1.00 0.00 O ATOM 0 H GLU A 43 -9.846 16.615 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.048 17.360 -12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.955 18.856 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.422 18.276 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.980 19.143 -13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.540 19.686 -13.027 1.00 0.00 H new ATOM 635 N PRO A 44 -9.471 16.376 -14.303 1.00 0.00 N ATOM 636 CA PRO A 44 -8.737 15.570 -15.288 1.00 0.00 C ATOM 637 C PRO A 44 -7.221 15.593 -15.085 1.00 0.00 C ATOM 638 O PRO A 44 -6.583 14.542 -15.006 1.00 0.00 O ATOM 639 CB PRO A 44 -9.113 16.206 -16.637 1.00 0.00 C ATOM 640 CG PRO A 44 -9.905 17.430 -16.308 1.00 0.00 C ATOM 641 CD PRO A 44 -10.503 17.186 -14.955 1.00 0.00 C ATOM 0 HA PRO A 44 -9.003 14.516 -15.208 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.222 16.460 -17.211 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.697 15.515 -17.245 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.269 18.315 -16.299 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.682 17.603 -17.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.690 18.116 -14.419 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.455 16.658 -15.019 1.00 0.00 H new ATOM 649 N GLY A 45 -6.651 16.782 -14.969 1.00 0.00 N ATOM 650 CA GLY A 45 -5.214 16.906 -14.832 1.00 0.00 C ATOM 651 C GLY A 45 -4.752 16.878 -13.386 1.00 0.00 C ATOM 652 O GLY A 45 -4.024 17.769 -12.947 1.00 0.00 O ATOM 0 H GLY A 45 -7.159 17.667 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.731 16.095 -15.378 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.890 17.839 -15.293 1.00 0.00 H new ATOM 656 N SER A 46 -5.183 15.867 -12.642 1.00 0.00 N ATOM 657 CA SER A 46 -4.759 15.709 -11.260 1.00 0.00 C ATOM 658 C SER A 46 -4.049 14.368 -11.068 1.00 0.00 C ATOM 659 O SER A 46 -4.378 13.380 -11.728 1.00 0.00 O ATOM 660 CB SER A 46 -5.975 15.782 -10.336 1.00 0.00 C ATOM 661 OG SER A 46 -6.864 14.703 -10.576 1.00 0.00 O ATOM 0 H SER A 46 -5.825 15.146 -12.973 1.00 0.00 H new ATOM 0 HA SER A 46 -4.065 16.512 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.647 15.763 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.496 16.727 -10.489 1.00 0.00 H new ATOM 0 HG SER A 46 -7.323 14.842 -11.430 1.00 0.00 H new ATOM 667 N PRO A 47 -3.049 14.320 -10.169 1.00 0.00 N ATOM 668 CA PRO A 47 -2.400 13.067 -9.776 1.00 0.00 C ATOM 669 C PRO A 47 -3.379 12.104 -9.110 1.00 0.00 C ATOM 670 O PRO A 47 -3.113 10.909 -9.005 1.00 0.00 O ATOM 671 CB PRO A 47 -1.323 13.498 -8.775 1.00 0.00 C ATOM 672 CG PRO A 47 -1.141 14.962 -8.981 1.00 0.00 C ATOM 673 CD PRO A 47 -2.452 15.486 -9.494 1.00 0.00 C ATOM 0 HA PRO A 47 -1.999 12.536 -10.639 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.631 13.282 -7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.391 12.960 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.865 15.454 -8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.340 15.157 -9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.084 15.848 -8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.309 16.319 -10.183 1.00 0.00 H new ATOM 681 N ALA A 48 -4.511 12.636 -8.663 1.00 0.00 N ATOM 682 CA ALA A 48 -5.539 11.832 -8.020 1.00 0.00 C ATOM 683 C ALA A 48 -6.142 10.828 -8.997 1.00 0.00 C ATOM 684 O ALA A 48 -6.208 9.632 -8.709 1.00 0.00 O ATOM 685 CB ALA A 48 -6.627 12.729 -7.446 1.00 0.00 C ATOM 0 H ALA A 48 -4.739 13.627 -8.736 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.074 11.275 -7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.390 12.115 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.191 13.405 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.080 13.311 -8.249 1.00 0.00 H new ATOM 691 N GLU A 49 -6.565 11.310 -10.159 1.00 0.00 N ATOM 692 CA GLU A 49 -7.194 10.443 -11.148 1.00 0.00 C ATOM 693 C GLU A 49 -6.168 9.494 -11.757 1.00 0.00 C ATOM 694 O GLU A 49 -6.501 8.381 -12.162 1.00 0.00 O ATOM 695 CB GLU A 49 -7.915 11.264 -12.229 1.00 0.00 C ATOM 696 CG GLU A 49 -7.001 12.070 -13.143 1.00 0.00 C ATOM 697 CD GLU A 49 -6.687 11.356 -14.445 1.00 0.00 C ATOM 698 OE1 GLU A 49 -7.586 10.688 -14.999 1.00 0.00 O ATOM 699 OE2 GLU A 49 -5.549 11.482 -14.943 1.00 0.00 O ATOM 0 H GLU A 49 -6.485 12.288 -10.438 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.950 9.841 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.510 10.587 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.610 11.947 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.471 13.028 -13.364 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.070 12.285 -12.619 1.00 0.00 H new ATOM 706 N LYS A 50 -4.915 9.939 -11.810 1.00 0.00 N ATOM 707 CA LYS A 50 -3.826 9.100 -12.298 1.00 0.00 C ATOM 708 C LYS A 50 -3.513 7.989 -11.302 1.00 0.00 C ATOM 709 O LYS A 50 -2.950 6.956 -11.662 1.00 0.00 O ATOM 710 CB LYS A 50 -2.569 9.935 -12.561 1.00 0.00 C ATOM 711 CG LYS A 50 -2.729 10.932 -13.699 1.00 0.00 C ATOM 712 CD LYS A 50 -1.412 11.587 -14.080 1.00 0.00 C ATOM 713 CE LYS A 50 -0.892 12.489 -12.978 1.00 0.00 C ATOM 714 NZ LYS A 50 0.397 13.125 -13.347 1.00 0.00 N ATOM 0 H LYS A 50 -4.630 10.875 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.147 8.650 -13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.304 10.474 -11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.739 9.266 -12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.145 10.424 -14.569 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.444 11.701 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.673 10.816 -14.298 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.546 12.168 -14.993 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.630 13.262 -12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.762 11.909 -12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.719 13.734 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.108 12.388 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.268 13.699 -14.204 1.00 0.00 H new ATOM 728 N ALA A 51 -3.880 8.209 -10.047 1.00 0.00 N ATOM 729 CA ALA A 51 -3.686 7.209 -9.009 1.00 0.00 C ATOM 730 C ALA A 51 -4.837 6.210 -9.005 1.00 0.00 C ATOM 731 O ALA A 51 -4.744 5.136 -8.409 1.00 0.00 O ATOM 732 CB ALA A 51 -3.553 7.877 -7.649 1.00 0.00 C ATOM 0 H ALA A 51 -4.315 9.073 -9.724 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.764 6.667 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.408 7.116 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.697 8.551 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.459 8.443 -7.432 1.00 0.00 H new ATOM 738 N GLY A 52 -5.916 6.567 -9.681 1.00 0.00 N ATOM 739 CA GLY A 52 -7.073 5.699 -9.741 1.00 0.00 C ATOM 740 C GLY A 52 -8.159 6.113 -8.768 1.00 0.00 C ATOM 741 O GLY A 52 -9.037 5.321 -8.435 1.00 0.00 O ATOM 0 H GLY A 52 -6.012 7.445 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.476 5.705 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.767 4.675 -9.525 1.00 0.00 H new ATOM 745 N LEU A 53 -8.088 7.348 -8.297 1.00 0.00 N ATOM 746 CA LEU A 53 -9.096 7.882 -7.396 1.00 0.00 C ATOM 747 C LEU A 53 -10.216 8.526 -8.212 1.00 0.00 C ATOM 748 O LEU A 53 -9.960 9.371 -9.071 1.00 0.00 O ATOM 749 CB LEU A 53 -8.441 8.888 -6.438 1.00 0.00 C ATOM 750 CG LEU A 53 -9.314 9.396 -5.291 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.448 9.723 -4.088 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.093 10.631 -5.715 1.00 0.00 C ATOM 0 H LEU A 53 -7.339 8.002 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.533 7.082 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.551 8.425 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.106 9.747 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.023 8.613 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.077 10.084 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.918 8.826 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.726 10.493 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.708 10.976 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.397 11.419 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.733 10.384 -6.562 1.00 0.00 H new ATOM 764 N LEU A 54 -11.449 8.115 -7.951 1.00 0.00 N ATOM 765 CA LEU A 54 -12.586 8.558 -8.745 1.00 0.00 C ATOM 766 C LEU A 54 -13.488 9.487 -7.945 1.00 0.00 C ATOM 767 O LEU A 54 -13.500 9.460 -6.711 1.00 0.00 O ATOM 768 CB LEU A 54 -13.388 7.352 -9.238 1.00 0.00 C ATOM 769 CG LEU A 54 -12.630 6.406 -10.173 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.491 5.205 -10.531 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.192 7.137 -11.433 1.00 0.00 C ATOM 0 H LEU A 54 -11.688 7.474 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.201 9.110 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.731 6.785 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.277 7.713 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.741 6.051 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.935 4.544 -11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.758 4.665 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.398 5.544 -11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.655 6.448 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.069 7.521 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.538 7.966 -11.164 1.00 0.00 H new ATOM 783 N ALA A 55 -14.245 10.308 -8.662 1.00 0.00 N ATOM 784 CA ALA A 55 -15.155 11.265 -8.048 1.00 0.00 C ATOM 785 C ALA A 55 -16.424 10.579 -7.562 1.00 0.00 C ATOM 786 O ALA A 55 -17.483 10.687 -8.183 1.00 0.00 O ATOM 787 CB ALA A 55 -15.496 12.374 -9.031 1.00 0.00 C ATOM 0 H ALA A 55 -14.245 10.329 -9.682 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.655 11.702 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.177 13.082 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.583 12.891 -9.327 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.973 11.945 -9.912 1.00 0.00 H new ATOM 793 N GLY A 56 -16.309 9.886 -6.446 1.00 0.00 N ATOM 794 CA GLY A 56 -17.439 9.173 -5.895 1.00 0.00 C ATOM 795 C GLY A 56 -17.020 8.142 -4.868 1.00 0.00 C ATOM 796 O GLY A 56 -17.852 7.653 -4.099 1.00 0.00 O ATOM 0 H GLY A 56 -15.447 9.803 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.125 9.884 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.983 8.680 -6.701 1.00 0.00 H new ATOM 800 N ASP A 57 -15.729 7.808 -4.855 1.00 0.00 N ATOM 801 CA ASP A 57 -15.201 6.845 -3.898 1.00 0.00 C ATOM 802 C ASP A 57 -15.253 7.420 -2.492 1.00 0.00 C ATOM 803 O ASP A 57 -15.344 8.637 -2.301 1.00 0.00 O ATOM 804 CB ASP A 57 -13.747 6.474 -4.228 1.00 0.00 C ATOM 805 CG ASP A 57 -13.580 5.804 -5.579 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.337 4.858 -5.886 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.663 6.203 -6.327 1.00 0.00 O ATOM 0 H ASP A 57 -15.034 8.191 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.818 5.949 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.136 7.376 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.366 5.809 -3.453 1.00 0.00 H new ATOM 812 N ARG A 58 -15.207 6.546 -1.512 1.00 0.00 N ATOM 813 CA ARG A 58 -15.126 6.966 -0.129 1.00 0.00 C ATOM 814 C ARG A 58 -13.732 6.681 0.405 1.00 0.00 C ATOM 815 O ARG A 58 -13.097 5.699 0.010 1.00 0.00 O ATOM 816 CB ARG A 58 -16.181 6.260 0.723 1.00 0.00 C ATOM 817 CG ARG A 58 -16.032 4.750 0.775 1.00 0.00 C ATOM 818 CD ARG A 58 -17.089 4.121 1.666 1.00 0.00 C ATOM 819 NE ARG A 58 -17.046 4.659 3.024 1.00 0.00 N ATOM 820 CZ ARG A 58 -16.730 3.941 4.101 1.00 0.00 C ATOM 821 NH1 ARG A 58 -16.468 2.646 3.995 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.683 4.522 5.291 1.00 0.00 N ATOM 0 H ARG A 58 -15.224 5.535 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.321 8.037 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.134 6.653 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.169 6.503 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.111 4.340 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.040 4.493 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.076 4.295 1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.941 3.042 1.698 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.272 5.645 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.507 2.191 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.227 2.105 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.889 5.517 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.441 3.974 6.117 1.00 0.00 H new ATOM 836 N LEU A 59 -13.252 7.543 1.283 1.00 0.00 N ATOM 837 CA LEU A 59 -11.915 7.397 1.832 1.00 0.00 C ATOM 838 C LEU A 59 -11.968 6.625 3.141 1.00 0.00 C ATOM 839 O LEU A 59 -12.600 7.063 4.102 1.00 0.00 O ATOM 840 CB LEU A 59 -11.280 8.772 2.045 1.00 0.00 C ATOM 841 CG LEU A 59 -9.821 8.754 2.497 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.953 8.029 1.482 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.321 10.172 2.707 1.00 0.00 C ATOM 0 H LEU A 59 -13.767 8.351 1.631 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.302 6.838 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.348 9.334 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.866 9.314 2.787 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.758 8.217 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.918 8.028 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.301 7.002 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.017 8.537 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.280 10.147 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.398 10.727 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.925 10.662 3.471 1.00 0.00 H new ATOM 855 N VAL A 60 -11.323 5.470 3.165 1.00 0.00 N ATOM 856 CA VAL A 60 -11.332 4.621 4.349 1.00 0.00 C ATOM 857 C VAL A 60 -10.037 4.738 5.147 1.00 0.00 C ATOM 858 O VAL A 60 -10.066 4.884 6.369 1.00 0.00 O ATOM 859 CB VAL A 60 -11.592 3.143 3.990 1.00 0.00 C ATOM 860 CG1 VAL A 60 -13.062 2.927 3.664 1.00 0.00 C ATOM 861 CG2 VAL A 60 -10.725 2.703 2.818 1.00 0.00 C ATOM 0 H VAL A 60 -10.787 5.098 2.381 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.152 4.977 4.973 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.329 2.536 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.229 1.880 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.670 3.194 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.342 3.552 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.929 1.658 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.951 3.318 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.673 2.818 3.080 1.00 0.00 H new ATOM 871 N GLU A 61 -8.900 4.711 4.460 1.00 0.00 N ATOM 872 CA GLU A 61 -7.612 4.728 5.140 1.00 0.00 C ATOM 873 C GLU A 61 -6.676 5.740 4.488 1.00 0.00 C ATOM 874 O GLU A 61 -6.778 6.014 3.290 1.00 0.00 O ATOM 875 CB GLU A 61 -6.935 3.351 5.074 1.00 0.00 C ATOM 876 CG GLU A 61 -7.875 2.151 5.146 1.00 0.00 C ATOM 877 CD GLU A 61 -8.277 1.776 6.556 1.00 0.00 C ATOM 878 OE1 GLU A 61 -7.385 1.658 7.418 1.00 0.00 O ATOM 879 OE2 GLU A 61 -9.482 1.550 6.794 1.00 0.00 O ATOM 0 H GLU A 61 -8.844 4.678 3.442 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.801 4.999 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.366 3.289 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.219 3.278 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.773 2.369 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.393 1.294 4.675 1.00 0.00 H new ATOM 886 N VAL A 62 -5.757 6.275 5.281 1.00 0.00 N ATOM 887 CA VAL A 62 -4.699 7.143 4.777 1.00 0.00 C ATOM 888 C VAL A 62 -3.349 6.645 5.280 1.00 0.00 C ATOM 889 O VAL A 62 -3.106 6.606 6.483 1.00 0.00 O ATOM 890 CB VAL A 62 -4.897 8.622 5.203 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.674 9.470 4.860 1.00 0.00 C ATOM 892 CG2 VAL A 62 -6.136 9.205 4.539 1.00 0.00 C ATOM 0 H VAL A 62 -5.723 6.121 6.289 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.736 7.107 3.688 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.029 8.639 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.846 10.500 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.800 9.075 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.501 9.441 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.260 10.243 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.023 9.160 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.013 8.630 4.837 1.00 0.00 H new ATOM 902 N ASN A 63 -2.500 6.217 4.352 1.00 0.00 N ATOM 903 CA ASN A 63 -1.147 5.744 4.672 1.00 0.00 C ATOM 904 C ASN A 63 -1.158 4.490 5.542 1.00 0.00 C ATOM 905 O ASN A 63 -0.133 4.109 6.106 1.00 0.00 O ATOM 906 CB ASN A 63 -0.321 6.854 5.335 1.00 0.00 C ATOM 907 CG ASN A 63 0.391 7.718 4.313 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.024 7.730 3.143 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.400 8.460 4.741 1.00 0.00 N ATOM 0 H ASN A 63 -2.724 6.186 3.357 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.677 5.474 3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.975 7.478 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.412 6.408 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.899 9.067 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.679 8.425 5.722 1.00 0.00 H new ATOM 916 N GLY A 64 -2.309 3.833 5.631 1.00 0.00 N ATOM 917 CA GLY A 64 -2.390 2.578 6.353 1.00 0.00 C ATOM 918 C GLY A 64 -3.185 2.678 7.637 1.00 0.00 C ATOM 919 O GLY A 64 -3.397 1.674 8.317 1.00 0.00 O ATOM 0 H GLY A 64 -3.186 4.147 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.845 1.825 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.382 2.233 6.584 1.00 0.00 H new ATOM 923 N GLU A 65 -3.614 3.881 7.988 1.00 0.00 N ATOM 924 CA GLU A 65 -4.415 4.076 9.187 1.00 0.00 C ATOM 925 C GLU A 65 -5.816 4.542 8.808 1.00 0.00 C ATOM 926 O GLU A 65 -5.985 5.346 7.887 1.00 0.00 O ATOM 927 CB GLU A 65 -3.725 5.072 10.128 1.00 0.00 C ATOM 928 CG GLU A 65 -3.479 6.439 9.514 1.00 0.00 C ATOM 929 CD GLU A 65 -2.354 7.186 10.198 1.00 0.00 C ATOM 930 OE1 GLU A 65 -2.355 7.270 11.442 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.455 7.694 9.493 1.00 0.00 O ATOM 0 H GLU A 65 -3.422 4.734 7.462 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.509 3.128 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.336 5.192 11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.771 4.652 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.243 6.322 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.393 7.030 9.573 1.00 0.00 H new ATOM 938 N ASN A 66 -6.815 4.015 9.508 1.00 0.00 N ATOM 939 CA ASN A 66 -8.210 4.282 9.180 1.00 0.00 C ATOM 940 C ASN A 66 -8.589 5.710 9.531 1.00 0.00 C ATOM 941 O ASN A 66 -8.320 6.184 10.638 1.00 0.00 O ATOM 942 CB ASN A 66 -9.133 3.304 9.910 1.00 0.00 C ATOM 943 CG ASN A 66 -10.593 3.514 9.550 1.00 0.00 C ATOM 944 OD1 ASN A 66 -11.318 4.244 10.230 1.00 0.00 O ATOM 945 ND2 ASN A 66 -11.028 2.892 8.466 1.00 0.00 N ATOM 0 H ASN A 66 -6.683 3.398 10.309 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.330 4.146 8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.844 2.282 9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.006 3.422 10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.996 3.008 8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.396 2.297 7.931 1.00 0.00 H new ATOM 952 N VAL A 67 -9.214 6.391 8.584 1.00 0.00 N ATOM 953 CA VAL A 67 -9.577 7.788 8.766 1.00 0.00 C ATOM 954 C VAL A 67 -11.089 7.989 8.729 1.00 0.00 C ATOM 955 O VAL A 67 -11.566 9.120 8.689 1.00 0.00 O ATOM 956 CB VAL A 67 -8.919 8.681 7.697 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.407 8.633 7.822 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.352 8.262 6.301 1.00 0.00 C ATOM 0 H VAL A 67 -9.481 5.999 7.681 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.210 8.078 9.750 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.248 9.707 7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.958 9.269 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.112 8.987 8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.063 7.608 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.875 8.907 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.057 7.228 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.435 8.351 6.214 1.00 0.00 H new ATOM 968 N GLU A 68 -11.842 6.894 8.762 1.00 0.00 N ATOM 969 CA GLU A 68 -13.303 6.972 8.733 1.00 0.00 C ATOM 970 C GLU A 68 -13.839 7.659 9.978 1.00 0.00 C ATOM 971 O GLU A 68 -14.864 8.331 9.932 1.00 0.00 O ATOM 972 CB GLU A 68 -13.929 5.579 8.655 1.00 0.00 C ATOM 973 CG GLU A 68 -13.653 4.827 7.372 1.00 0.00 C ATOM 974 CD GLU A 68 -14.284 3.451 7.390 1.00 0.00 C ATOM 975 OE1 GLU A 68 -15.529 3.362 7.317 1.00 0.00 O ATOM 976 OE2 GLU A 68 -13.547 2.455 7.507 1.00 0.00 O ATOM 0 H GLU A 68 -11.470 5.946 8.809 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.569 7.548 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.564 4.985 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.008 5.674 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.039 5.395 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.577 4.733 7.228 1.00 0.00 H new ATOM 983 N LYS A 69 -13.143 7.471 11.091 1.00 0.00 N ATOM 984 CA LYS A 69 -13.627 7.948 12.380 1.00 0.00 C ATOM 985 C LYS A 69 -13.034 9.316 12.713 1.00 0.00 C ATOM 986 O LYS A 69 -13.309 9.888 13.769 1.00 0.00 O ATOM 987 CB LYS A 69 -13.285 6.930 13.476 1.00 0.00 C ATOM 988 CG LYS A 69 -13.582 5.487 13.079 1.00 0.00 C ATOM 989 CD LYS A 69 -15.040 5.296 12.681 1.00 0.00 C ATOM 990 CE LYS A 69 -15.290 3.915 12.095 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.096 2.838 13.100 1.00 0.00 N ATOM 0 H LYS A 69 -12.243 6.992 11.128 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.710 8.057 12.325 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.228 7.019 13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.848 7.174 14.377 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.938 5.199 12.248 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.343 4.825 13.911 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.677 5.441 13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.320 6.056 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.306 3.866 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.616 3.751 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.277 1.914 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.119 2.867 13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.756 2.978 13.891 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.226 9.836 11.803 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.614 11.142 11.973 1.00 0.00 C ATOM 1007 C GLU A 70 -12.517 12.217 11.383 1.00 0.00 C ATOM 1008 O GLU A 70 -13.297 11.945 10.474 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.259 11.159 11.277 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.290 10.126 11.819 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.850 10.426 13.239 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.956 11.279 13.418 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.389 9.814 14.180 1.00 0.00 O ATOM 0 H GLU A 70 -11.978 9.368 10.932 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.476 11.343 13.035 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.404 10.986 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.818 12.150 11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.759 9.142 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.413 10.082 11.173 1.00 0.00 H new ATOM 1020 N THR A 71 -12.416 13.434 11.903 1.00 0.00 N ATOM 1021 CA THR A 71 -13.228 14.536 11.407 1.00 0.00 C ATOM 1022 C THR A 71 -12.746 14.965 10.028 1.00 0.00 C ATOM 1023 O THR A 71 -11.666 14.558 9.597 1.00 0.00 O ATOM 1024 CB THR A 71 -13.180 15.760 12.349 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.892 16.385 12.275 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.457 15.356 13.787 1.00 0.00 C ATOM 0 H THR A 71 -11.783 13.681 12.664 1.00 0.00 H new ATOM 0 HA THR A 71 -14.256 14.176 11.356 1.00 0.00 H new ATOM 0 HB THR A 71 -13.951 16.460 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.949 17.186 11.714 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.417 16.238 14.427 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.447 14.904 13.854 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.707 14.636 14.114 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.519 15.801 9.345 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.116 16.278 8.026 1.00 0.00 C ATOM 1036 C HIS A 72 -11.737 16.931 8.096 1.00 0.00 C ATOM 1037 O HIS A 72 -10.875 16.673 7.257 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.153 17.256 7.458 1.00 0.00 C ATOM 1039 CG HIS A 72 -13.736 17.902 6.167 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -13.398 17.187 5.036 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.565 19.207 5.846 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.033 18.028 4.081 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.131 19.258 4.545 1.00 0.00 N ATOM 0 H HIS A 72 -14.415 16.159 9.675 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.059 15.422 7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.092 16.724 7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.347 18.034 8.196 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -13.425 16.171 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.738 20.053 6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.709 17.753 3.088 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.523 17.752 9.117 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.242 18.410 9.308 1.00 0.00 C ATOM 1054 C GLN A 73 -9.149 17.400 9.637 1.00 0.00 C ATOM 1055 O GLN A 73 -8.040 17.494 9.113 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.340 19.448 10.415 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.218 20.631 10.056 1.00 0.00 C ATOM 1058 CD GLN A 73 -11.202 21.706 11.121 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -12.012 21.690 12.050 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -10.282 22.648 10.998 1.00 0.00 N ATOM 0 H GLN A 73 -12.223 17.976 9.825 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.979 18.908 8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.733 18.973 11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.339 19.807 10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.882 21.056 9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.242 20.288 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.630 22.625 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.224 23.398 11.687 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.471 16.432 10.489 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.513 15.405 10.891 1.00 0.00 C ATOM 1071 C GLN A 74 -8.003 14.626 9.684 1.00 0.00 C ATOM 1072 O GLN A 74 -6.799 14.425 9.529 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.154 14.434 11.886 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.341 14.998 13.285 1.00 0.00 C ATOM 1075 CD GLN A 74 -8.030 15.148 14.029 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -7.393 16.201 13.996 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.608 14.081 14.687 1.00 0.00 N ATOM 0 H GLN A 74 -10.392 16.336 10.917 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.671 15.908 11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.125 14.126 11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.537 13.538 11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.831 15.969 13.219 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.004 14.344 13.851 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.168 13.228 14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.723 14.111 15.193 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.926 14.198 8.832 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.581 13.405 7.658 1.00 0.00 C ATOM 1088 C VAL A 75 -7.783 14.226 6.652 1.00 0.00 C ATOM 1089 O VAL A 75 -6.710 13.815 6.206 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.842 12.858 6.958 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.460 11.954 5.799 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.731 12.119 7.941 1.00 0.00 C ATOM 0 H VAL A 75 -9.923 14.387 8.932 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.974 12.572 8.011 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.404 13.705 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.363 11.578 5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.872 12.519 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.871 11.116 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.613 11.743 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.180 11.283 8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.039 12.799 8.735 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.305 15.394 6.316 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.710 16.233 5.285 1.00 0.00 C ATOM 1104 C VAL A 76 -6.315 16.711 5.687 1.00 0.00 C ATOM 1105 O VAL A 76 -5.417 16.787 4.847 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.632 17.427 4.953 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.982 18.395 3.979 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.934 16.919 4.370 1.00 0.00 C ATOM 0 H VAL A 76 -9.144 15.786 6.744 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.600 15.627 4.386 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.821 17.966 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.666 19.219 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.062 18.786 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.751 17.875 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.582 17.764 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.730 16.356 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.428 16.271 5.094 1.00 0.00 H new ATOM 1118 N SER A 77 -6.122 17.003 6.970 1.00 0.00 N ATOM 1119 CA SER A 77 -4.808 17.403 7.464 1.00 0.00 C ATOM 1120 C SER A 77 -3.787 16.274 7.290 1.00 0.00 C ATOM 1121 O SER A 77 -2.621 16.530 7.008 1.00 0.00 O ATOM 1122 CB SER A 77 -4.888 17.821 8.931 1.00 0.00 C ATOM 1123 OG SER A 77 -5.771 18.920 9.095 1.00 0.00 O ATOM 0 H SER A 77 -6.852 16.971 7.682 1.00 0.00 H new ATOM 0 HA SER A 77 -4.476 18.258 6.875 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.230 16.981 9.535 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.895 18.090 9.292 1.00 0.00 H new ATOM 0 HG SER A 77 -6.680 18.589 9.253 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.235 15.028 7.442 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.354 13.874 7.261 1.00 0.00 C ATOM 1131 C ARG A 78 -2.909 13.769 5.807 1.00 0.00 C ATOM 1132 O ARG A 78 -1.762 13.431 5.514 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.061 12.576 7.657 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.498 12.515 9.108 1.00 0.00 C ATOM 1135 CD ARG A 78 -5.114 11.165 9.424 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.598 11.078 10.801 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.962 10.424 11.769 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.743 9.946 11.558 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.531 10.291 12.959 1.00 0.00 N ATOM 0 H ARG A 78 -5.196 14.792 7.688 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.486 14.018 7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.937 12.446 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.394 11.738 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.642 12.691 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.220 13.306 9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.941 10.978 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.375 10.383 9.252 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.474 11.546 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.292 10.080 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.256 9.445 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.454 10.690 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.046 9.790 13.703 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.837 14.047 4.901 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.561 13.992 3.472 1.00 0.00 C ATOM 1155 C ILE A 79 -2.646 15.144 3.057 1.00 0.00 C ATOM 1156 O ILE A 79 -1.708 14.956 2.283 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.869 14.035 2.654 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.830 12.951 3.152 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.574 13.847 1.172 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.187 12.993 2.492 1.00 0.00 C ATOM 0 H ILE A 79 -4.794 14.315 5.133 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.056 13.048 3.265 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.339 15.009 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.382 11.973 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.956 13.057 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.506 13.880 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.914 14.644 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.090 12.883 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.812 12.196 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.657 13.957 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.073 12.856 1.417 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.912 16.329 3.599 1.00 0.00 N ATOM 1173 CA ARG A 80 -2.095 17.513 3.321 1.00 0.00 C ATOM 1174 C ARG A 80 -0.709 17.371 3.938 1.00 0.00 C ATOM 1175 O ARG A 80 0.252 17.998 3.485 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.771 18.775 3.861 1.00 0.00 C ATOM 1177 CG ARG A 80 -4.087 19.105 3.180 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.760 20.311 3.815 1.00 0.00 C ATOM 1179 NE ARG A 80 -3.980 21.538 3.648 1.00 0.00 N ATOM 1180 CZ ARG A 80 -4.346 22.730 4.121 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -5.462 22.853 4.832 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -3.587 23.793 3.890 1.00 0.00 N ATOM 0 H ARG A 80 -3.690 16.498 4.237 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.992 17.600 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.946 18.653 4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.091 19.619 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.911 19.301 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.753 18.244 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.747 20.448 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.911 20.122 4.878 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.099 21.478 3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.041 22.034 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.739 23.766 5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.726 23.698 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.865 24.706 4.251 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.628 16.552 4.983 1.00 0.00 N ATOM 1197 CA ALA A 81 0.617 16.316 5.706 1.00 0.00 C ATOM 1198 C ALA A 81 1.710 15.793 4.787 1.00 0.00 C ATOM 1199 O ALA A 81 2.884 16.137 4.949 1.00 0.00 O ATOM 1200 CB ALA A 81 0.378 15.330 6.840 1.00 0.00 C ATOM 0 H ALA A 81 -1.425 16.033 5.352 1.00 0.00 H new ATOM 0 HA ALA A 81 0.952 17.270 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.312 15.158 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.364 15.738 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.015 14.387 6.432 1.00 0.00 H new ATOM 1206 N ALA A 82 1.318 14.967 3.825 1.00 0.00 N ATOM 1207 CA ALA A 82 2.258 14.384 2.882 1.00 0.00 C ATOM 1208 C ALA A 82 3.003 15.466 2.112 1.00 0.00 C ATOM 1209 O ALA A 82 2.406 16.439 1.640 1.00 0.00 O ATOM 1210 CB ALA A 82 1.537 13.451 1.929 1.00 0.00 C ATOM 0 H ALA A 82 0.349 14.686 3.679 1.00 0.00 H new ATOM 0 HA ALA A 82 2.992 13.808 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.253 13.022 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.059 12.651 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.780 14.008 1.378 1.00 0.00 H new ATOM 1216 N LEU A 83 4.308 15.292 1.998 1.00 0.00 N ATOM 1217 CA LEU A 83 5.164 16.291 1.382 1.00 0.00 C ATOM 1218 C LEU A 83 5.332 16.012 -0.105 1.00 0.00 C ATOM 1219 O LEU A 83 5.588 16.922 -0.891 1.00 0.00 O ATOM 1220 CB LEU A 83 6.538 16.335 2.067 1.00 0.00 C ATOM 1221 CG LEU A 83 6.531 16.704 3.561 1.00 0.00 C ATOM 1222 CD1 LEU A 83 6.124 15.516 4.419 1.00 0.00 C ATOM 1223 CD2 LEU A 83 7.895 17.216 3.987 1.00 0.00 C ATOM 0 H LEU A 83 4.801 14.462 2.327 1.00 0.00 H new ATOM 0 HA LEU A 83 4.685 17.262 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.010 15.359 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.164 17.054 1.538 1.00 0.00 H new ATOM 0 HG LEU A 83 5.795 17.495 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.128 15.807 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.123 15.190 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.829 14.699 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.873 17.473 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.644 16.442 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.149 18.101 3.405 1.00 0.00 H new ATOM 1235 N ASN A 84 5.191 14.752 -0.490 1.00 0.00 N ATOM 1236 CA ASN A 84 5.328 14.372 -1.892 1.00 0.00 C ATOM 1237 C ASN A 84 4.357 13.257 -2.259 1.00 0.00 C ATOM 1238 O ASN A 84 3.607 13.377 -3.223 1.00 0.00 O ATOM 1239 CB ASN A 84 6.765 13.934 -2.193 1.00 0.00 C ATOM 1240 CG ASN A 84 6.954 13.500 -3.637 1.00 0.00 C ATOM 1241 OD1 ASN A 84 7.215 14.321 -4.517 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.847 12.203 -3.883 1.00 0.00 N ATOM 0 H ASN A 84 4.983 13.979 0.142 1.00 0.00 H new ATOM 0 HA ASN A 84 5.089 15.247 -2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.445 14.757 -1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.036 13.111 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.982 11.851 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.629 11.556 -3.125 1.00 0.00 H new ATOM 1249 N ALA A 85 4.370 12.180 -1.488 1.00 0.00 N ATOM 1250 CA ALA A 85 3.525 11.032 -1.788 1.00 0.00 C ATOM 1251 C ALA A 85 2.734 10.588 -0.563 1.00 0.00 C ATOM 1252 O ALA A 85 3.180 10.755 0.575 1.00 0.00 O ATOM 1253 CB ALA A 85 4.365 9.883 -2.330 1.00 0.00 C ATOM 0 H ALA A 85 4.951 12.076 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 85 2.809 11.333 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.720 9.032 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.870 10.200 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.107 9.593 -1.587 1.00 0.00 H new ATOM 1259 N VAL A 86 1.553 10.045 -0.806 1.00 0.00 N ATOM 1260 CA VAL A 86 0.676 9.567 0.256 1.00 0.00 C ATOM 1261 C VAL A 86 -0.205 8.430 -0.272 1.00 0.00 C ATOM 1262 O VAL A 86 -0.644 8.465 -1.423 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.186 10.729 0.809 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -0.879 11.478 -0.318 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.202 10.240 1.831 1.00 0.00 C ATOM 0 H VAL A 86 1.173 9.922 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 86 1.283 9.182 1.076 1.00 0.00 H new ATOM 0 HB VAL A 86 0.489 11.418 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.478 12.289 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.131 11.890 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.526 10.793 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.787 11.084 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.866 9.513 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.681 9.772 2.666 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.435 7.412 0.551 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.243 6.269 0.142 1.00 0.00 C ATOM 1277 C ARG A 87 -2.706 6.496 0.496 1.00 0.00 C ATOM 1278 O ARG A 87 -3.084 6.482 1.671 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.759 4.975 0.806 1.00 0.00 C ATOM 1280 CG ARG A 87 0.691 4.625 0.509 1.00 0.00 C ATOM 1281 CD ARG A 87 1.044 3.227 1.006 1.00 0.00 C ATOM 1282 NE ARG A 87 0.906 3.086 2.460 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.634 1.931 3.084 1.00 0.00 C ATOM 1284 NH1 ARG A 87 0.507 0.803 2.390 1.00 0.00 N ATOM 1285 NH2 ARG A 87 0.518 1.897 4.406 1.00 0.00 N ATOM 0 H ARG A 87 -0.074 7.355 1.503 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.139 6.168 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.886 5.064 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.394 4.152 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.868 4.685 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.347 5.356 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.401 2.498 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.069 2.993 0.719 1.00 0.00 H new ATOM 0 HE ARG A 87 1.025 3.921 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.617 0.813 1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.300 -0.072 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.636 2.751 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.311 1.016 4.877 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.519 6.695 -0.523 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.947 6.886 -0.347 1.00 0.00 C ATOM 1301 C LEU A 88 -5.676 5.604 -0.702 1.00 0.00 C ATOM 1302 O LEU A 88 -5.553 5.101 -1.820 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.472 8.026 -1.237 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.144 9.458 -0.788 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.715 9.736 0.593 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.651 9.706 -0.799 1.00 0.00 C ATOM 0 H LEU A 88 -3.210 6.729 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.128 7.149 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.073 7.885 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.556 7.931 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.608 10.142 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.470 10.756 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.798 9.615 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.287 9.037 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.449 10.728 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.161 9.008 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.266 9.561 -1.808 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.412 5.058 0.247 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.210 3.882 -0.028 1.00 0.00 C ATOM 1320 C LEU A 89 -8.658 4.283 -0.217 1.00 0.00 C ATOM 1321 O LEU A 89 -9.269 4.879 0.675 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.111 2.854 1.090 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.747 1.508 0.752 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.957 0.794 -0.334 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.856 0.647 1.989 1.00 0.00 C ATOM 0 H LEU A 89 -6.473 5.406 1.204 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.823 3.425 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.060 2.697 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.589 3.256 1.983 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.752 1.691 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.429 -0.163 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.938 1.409 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.937 0.623 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.312 -0.308 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.862 0.474 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.473 1.153 2.731 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.205 3.945 -1.367 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.557 4.347 -1.704 1.00 0.00 C ATOM 1339 C VAL A 90 -11.372 3.162 -2.195 1.00 0.00 C ATOM 1340 O VAL A 90 -10.830 2.203 -2.751 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.577 5.464 -2.776 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -10.040 6.766 -2.202 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.779 5.059 -4.014 1.00 0.00 C ATOM 0 H VAL A 90 -8.735 3.393 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.004 4.739 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.613 5.616 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.062 7.539 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.659 7.075 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.014 6.619 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.812 5.864 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.744 4.867 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.211 4.156 -4.446 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.668 3.235 -1.962 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.596 2.203 -2.381 1.00 0.00 C ATOM 1355 C VAL A 91 -14.958 2.837 -2.656 1.00 0.00 C ATOM 1356 O VAL A 91 -15.291 3.863 -2.062 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.700 1.096 -1.299 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.115 1.679 0.044 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.655 -0.012 -1.723 1.00 0.00 C ATOM 0 H VAL A 91 -13.109 4.015 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.234 1.734 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.709 0.657 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.180 0.880 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.376 2.412 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.087 2.162 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.703 -0.770 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.649 0.406 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.298 -0.466 -2.647 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.720 2.266 -3.576 1.00 0.00 N ATOM 1370 CA ASP A 92 -17.062 2.757 -3.850 1.00 0.00 C ATOM 1371 C ASP A 92 -18.026 2.253 -2.789 1.00 0.00 C ATOM 1372 O ASP A 92 -18.116 1.050 -2.540 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.537 2.339 -5.246 1.00 0.00 C ATOM 1374 CG ASP A 92 -17.412 0.852 -5.502 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -16.278 0.327 -5.483 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -18.446 0.204 -5.751 1.00 0.00 O ATOM 0 H ASP A 92 -15.435 1.467 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 92 -17.037 3.846 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -18.578 2.636 -5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -16.959 2.879 -5.996 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.763 3.188 -2.161 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.630 2.908 -1.004 1.00 0.00 C ATOM 1383 C PRO A 93 -20.609 1.759 -1.228 1.00 0.00 C ATOM 1384 O PRO A 93 -21.061 1.125 -0.273 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.394 4.219 -0.807 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.502 5.264 -1.375 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.797 4.615 -2.534 1.00 0.00 C ATOM 0 HA PRO A 93 -19.039 2.593 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.356 4.198 -1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.599 4.403 0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.075 6.132 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.788 5.616 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.334 4.773 -3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.794 5.018 -2.670 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.943 1.499 -2.484 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.884 0.435 -2.808 1.00 0.00 C ATOM 1397 C GLU A 94 -21.231 -0.940 -2.641 1.00 0.00 C ATOM 1398 O GLU A 94 -21.860 -1.881 -2.155 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.447 0.624 -4.219 1.00 0.00 C ATOM 1400 CG GLU A 94 -21.387 0.830 -5.284 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.974 1.244 -6.613 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -22.402 0.359 -7.381 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -22.020 2.461 -6.891 1.00 0.00 O ATOM 0 H GLU A 94 -20.580 2.006 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.719 0.487 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.045 -0.249 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.119 1.482 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.683 1.592 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -20.821 -0.093 -5.412 1.00 0.00 H new ATOM 1410 N THR A 95 -19.968 -1.043 -3.035 1.00 0.00 N ATOM 1411 CA THR A 95 -19.204 -2.272 -2.870 1.00 0.00 C ATOM 1412 C THR A 95 -18.838 -2.503 -1.403 1.00 0.00 C ATOM 1413 O THR A 95 -18.623 -3.641 -0.984 1.00 0.00 O ATOM 1414 CB THR A 95 -17.945 -2.295 -3.760 1.00 0.00 C ATOM 1415 OG1 THR A 95 -18.338 -2.237 -5.134 1.00 0.00 O ATOM 1416 CG2 THR A 95 -17.128 -3.557 -3.534 1.00 0.00 C ATOM 0 H THR A 95 -19.448 -0.283 -3.474 1.00 0.00 H new ATOM 0 HA THR A 95 -19.846 -3.091 -3.195 1.00 0.00 H new ATOM 0 HB THR A 95 -17.329 -1.434 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.426 -1.301 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.248 -3.541 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.815 -3.606 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.735 -4.431 -3.772 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.783 -1.427 -0.617 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.462 -1.532 0.813 1.00 0.00 C ATOM 1426 C ASP A 96 -19.411 -2.497 1.504 1.00 0.00 C ATOM 1427 O ASP A 96 -19.036 -3.168 2.467 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.571 -0.174 1.505 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.365 0.706 1.290 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -17.330 1.429 0.283 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -16.462 0.698 2.154 1.00 0.00 O ATOM 0 H ASP A 96 -18.955 -0.475 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.437 -1.896 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -19.458 0.342 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.712 -0.330 2.575 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.634 -2.564 0.996 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.633 -3.485 1.507 1.00 0.00 C ATOM 1438 C GLU A 97 -21.162 -4.922 1.306 1.00 0.00 C ATOM 1439 O GLU A 97 -21.228 -5.743 2.213 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.963 -3.258 0.791 1.00 0.00 C ATOM 1441 CG GLU A 97 -24.119 -4.061 1.361 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.404 -3.843 0.596 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.654 -4.582 -0.374 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -26.170 -2.929 0.963 1.00 0.00 O ATOM 0 H GLU A 97 -20.958 -1.984 0.222 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.774 -3.307 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -23.213 -2.198 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.844 -3.511 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.865 -5.121 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -24.269 -3.786 2.405 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.659 -5.203 0.115 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.121 -6.517 -0.205 1.00 0.00 C ATOM 1453 C GLN A 98 -18.866 -6.789 0.623 1.00 0.00 C ATOM 1454 O GLN A 98 -18.680 -7.887 1.141 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.801 -6.592 -1.701 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.175 -7.908 -2.149 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.060 -9.117 -1.891 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -19.570 -10.227 -1.689 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -21.365 -8.921 -1.903 1.00 0.00 N ATOM 0 H GLN A 98 -20.612 -4.533 -0.653 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.864 -7.277 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.720 -6.431 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.124 -5.777 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.952 -7.851 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.226 -8.045 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -21.739 -7.987 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -22.000 -9.703 -1.742 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.028 -5.766 0.759 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.772 -5.882 1.499 1.00 0.00 C ATOM 1470 C LEU A 99 -17.017 -6.278 2.951 1.00 0.00 C ATOM 1471 O LEU A 99 -16.350 -7.168 3.484 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.991 -4.573 1.450 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.569 -4.120 0.053 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.348 -3.235 0.150 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.295 -5.312 -0.852 1.00 0.00 C ATOM 0 H LEU A 99 -18.196 -4.841 0.364 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.185 -6.666 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.599 -3.789 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.098 -4.678 2.066 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.388 -3.552 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.051 -2.914 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.580 -2.360 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.531 -3.791 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.997 -4.958 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.494 -5.916 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.198 -5.917 -0.941 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.983 -5.619 3.582 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.317 -5.906 4.970 1.00 0.00 C ATOM 1489 C GLN A 100 -18.905 -7.313 5.097 1.00 0.00 C ATOM 1490 O GLN A 100 -18.714 -7.985 6.112 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.269 -4.843 5.543 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.686 -4.905 5.002 1.00 0.00 C ATOM 1493 CD GLN A 100 -21.547 -3.757 5.488 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.657 -2.722 4.831 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -22.141 -3.922 6.658 1.00 0.00 N ATOM 0 H GLN A 100 -18.547 -4.884 3.154 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.401 -5.869 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -19.303 -4.951 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.857 -3.855 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.656 -4.895 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -21.143 -5.849 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -22.024 -4.796 7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -22.716 -3.175 7.048 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.632 -7.750 4.066 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.184 -9.101 4.038 1.00 0.00 C ATOM 1506 C LYS A 101 -19.062 -10.130 4.021 1.00 0.00 C ATOM 1507 O LYS A 101 -19.152 -11.165 4.679 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.083 -9.309 2.815 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.335 -8.448 2.802 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.258 -8.773 3.963 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.521 -7.934 3.908 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.460 -8.262 5.009 1.00 0.00 N ATOM 0 H LYS A 101 -19.850 -7.188 3.243 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.785 -9.231 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.505 -9.101 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.377 -10.358 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.053 -7.396 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.868 -8.596 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.519 -9.831 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.740 -8.594 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.256 -6.878 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.018 -8.090 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -26.308 -7.665 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -25.734 -9.263 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.997 -8.088 5.924 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.000 -9.832 3.274 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.871 -10.749 3.143 1.00 0.00 C ATOM 1528 C LEU A 102 -16.215 -10.995 4.495 1.00 0.00 C ATOM 1529 O LEU A 102 -16.139 -12.133 4.965 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.820 -10.198 2.173 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.348 -9.728 0.821 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.204 -9.227 -0.046 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -17.107 -10.844 0.122 1.00 0.00 C ATOM 0 H LEU A 102 -17.899 -8.962 2.751 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.262 -11.688 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.311 -9.362 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.071 -10.971 2.001 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.041 -8.903 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.595 -8.895 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.708 -8.394 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.488 -10.033 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -17.475 -10.487 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.442 -11.693 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -17.950 -11.154 0.740 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.751 -9.917 5.117 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.073 -10.024 6.394 1.00 0.00 C ATOM 1547 C GLY A 103 -13.565 -10.040 6.233 1.00 0.00 C ATOM 1548 O GLY A 103 -12.826 -9.683 7.152 1.00 0.00 O ATOM 0 H GLY A 103 -15.833 -8.966 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.362 -9.187 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.394 -10.934 6.900 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.114 -10.442 5.052 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.692 -10.520 4.750 1.00 0.00 C ATOM 1554 C VAL A 104 -11.110 -9.120 4.572 1.00 0.00 C ATOM 1555 O VAL A 104 -11.694 -8.278 3.888 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.443 -11.347 3.473 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -9.954 -11.545 3.235 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.159 -12.689 3.560 1.00 0.00 C ATOM 0 H VAL A 104 -13.720 -10.722 4.281 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.199 -11.013 5.588 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.847 -10.795 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.805 -12.131 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.471 -10.574 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.517 -12.072 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.973 -13.260 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.787 -13.245 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.231 -12.523 3.671 1.00 0.00 H new ATOM 1568 N GLN A 105 -9.960 -8.875 5.185 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.352 -7.549 5.172 1.00 0.00 C ATOM 1570 C GLN A 105 -8.586 -7.298 3.873 1.00 0.00 C ATOM 1571 O GLN A 105 -7.370 -7.104 3.880 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.419 -7.374 6.373 1.00 0.00 C ATOM 1573 CG GLN A 105 -9.111 -7.488 7.723 1.00 0.00 C ATOM 1574 CD GLN A 105 -10.308 -6.563 7.852 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -10.170 -5.395 8.219 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -11.494 -7.085 7.580 1.00 0.00 N ATOM 0 H GLN A 105 -9.428 -9.577 5.699 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.157 -6.817 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.630 -8.124 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.937 -6.398 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.436 -8.518 7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.395 -7.261 8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.567 -8.057 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.335 -6.515 7.672 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.312 -7.271 2.765 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.709 -7.043 1.453 1.00 0.00 C ATOM 1587 C VAL A 106 -8.150 -5.624 1.324 1.00 0.00 C ATOM 1588 O VAL A 106 -7.336 -5.351 0.445 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.721 -7.294 0.309 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.091 -8.771 0.228 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.970 -6.434 0.490 1.00 0.00 C ATOM 0 H VAL A 106 -10.323 -7.404 2.745 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.889 -7.756 1.366 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.246 -7.010 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.803 -8.924 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.194 -9.361 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.541 -9.086 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.666 -6.628 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.446 -6.679 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.690 -5.381 0.486 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.570 -4.739 2.225 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.234 -3.317 2.134 1.00 0.00 C ATOM 1603 C ARG A 107 -6.734 -3.049 2.289 1.00 0.00 C ATOM 1604 O ARG A 107 -6.233 -2.055 1.773 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.020 -2.504 3.173 1.00 0.00 C ATOM 1606 CG ARG A 107 -8.863 -2.994 4.605 1.00 0.00 C ATOM 1607 CD ARG A 107 -9.563 -2.066 5.589 1.00 0.00 C ATOM 1608 NE ARG A 107 -9.730 -2.689 6.903 1.00 0.00 N ATOM 1609 CZ ARG A 107 -10.192 -2.059 7.988 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -10.416 -0.749 7.976 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -10.395 -2.744 9.104 1.00 0.00 N ATOM 0 H ARG A 107 -9.146 -4.982 3.031 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.518 -2.998 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.699 -1.464 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.077 -2.525 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.275 -3.999 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.804 -3.060 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.987 -1.147 5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.539 -1.787 5.193 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.476 -3.672 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.235 -0.208 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.769 -0.284 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.199 -3.745 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.747 -2.271 9.936 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.018 -3.924 2.979 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.606 -3.676 3.244 1.00 0.00 C ATOM 1627 C GLU A 108 -3.821 -4.982 3.199 1.00 0.00 C ATOM 1628 O GLU A 108 -2.821 -5.095 2.489 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.462 -2.994 4.609 1.00 0.00 C ATOM 1630 CG GLU A 108 -3.345 -1.963 4.690 1.00 0.00 C ATOM 1631 CD GLU A 108 -1.960 -2.571 4.682 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -1.698 -3.482 5.497 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -1.110 -2.115 3.889 1.00 0.00 O ATOM 0 H GLU A 108 -6.381 -4.797 3.360 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.199 -3.018 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.405 -2.508 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.288 -3.759 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.436 -1.274 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.470 -1.375 5.599 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.313 -5.972 3.935 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.668 -7.279 4.030 1.00 0.00 C ATOM 1642 C GLU A 109 -3.463 -7.908 2.651 1.00 0.00 C ATOM 1643 O GLU A 109 -2.364 -8.358 2.316 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.526 -8.200 4.898 1.00 0.00 C ATOM 1645 CG GLU A 109 -3.982 -9.610 5.025 1.00 0.00 C ATOM 1646 CD GLU A 109 -4.964 -10.546 5.684 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -5.851 -11.074 4.980 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -4.864 -10.767 6.908 1.00 0.00 O ATOM 0 H GLU A 109 -5.170 -5.893 4.483 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.685 -7.145 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.615 -7.765 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.531 -8.246 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.730 -9.990 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.058 -9.590 5.604 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.521 -7.922 1.852 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.492 -8.552 0.537 1.00 0.00 C ATOM 1657 C LEU A 110 -3.524 -7.823 -0.394 1.00 0.00 C ATOM 1658 O LEU A 110 -2.849 -8.445 -1.217 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.915 -8.572 -0.053 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.171 -9.552 -1.213 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.583 -9.041 -2.521 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -5.610 -10.929 -0.882 1.00 0.00 C ATOM 0 H LEU A 110 -5.418 -7.501 2.093 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.137 -9.577 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.613 -8.807 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.154 -7.566 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.250 -9.632 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.784 -9.760 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.037 -8.083 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.506 -8.914 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.800 -11.609 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.536 -10.853 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.092 -11.312 0.017 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.431 -6.509 -0.237 1.00 0.00 N ATOM 1675 CA LEU A 111 -2.631 -5.693 -1.135 1.00 0.00 C ATOM 1676 C LEU A 111 -1.143 -5.955 -0.945 1.00 0.00 C ATOM 1677 O LEU A 111 -0.353 -5.811 -1.875 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.937 -4.213 -0.919 1.00 0.00 C ATOM 1679 CG LEU A 111 -4.397 -3.811 -1.150 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.558 -2.306 -1.012 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.871 -4.279 -2.520 1.00 0.00 C ATOM 0 H LEU A 111 -3.900 -5.988 0.504 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.893 -5.966 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.660 -3.946 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.305 -3.626 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 111 -5.014 -4.295 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.600 -2.035 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.259 -1.998 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.930 -1.804 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.910 -3.984 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.253 -3.824 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.790 -5.364 -2.582 1.00 0.00 H new ATOM 1693 N ARG A 112 -0.764 -6.355 0.257 1.00 0.00 N ATOM 1694 CA ARG A 112 0.632 -6.621 0.549 1.00 0.00 C ATOM 1695 C ARG A 112 0.854 -8.081 0.896 1.00 0.00 C ATOM 1696 O ARG A 112 1.616 -8.415 1.806 1.00 0.00 O ATOM 1697 CB ARG A 112 1.129 -5.724 1.669 1.00 0.00 C ATOM 1698 CG ARG A 112 1.145 -4.256 1.289 1.00 0.00 C ATOM 1699 CD ARG A 112 1.838 -3.429 2.349 1.00 0.00 C ATOM 1700 NE ARG A 112 1.132 -3.486 3.623 1.00 0.00 N ATOM 1701 CZ ARG A 112 1.689 -3.842 4.776 1.00 0.00 C ATOM 1702 NH1 ARG A 112 2.991 -4.098 4.844 1.00 0.00 N ATOM 1703 NH2 ARG A 112 0.940 -3.928 5.864 1.00 0.00 N ATOM 0 H ARG A 112 -1.400 -6.502 1.041 1.00 0.00 H new ATOM 0 HA ARG A 112 1.206 -6.400 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.495 -5.860 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.135 -6.031 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.654 -4.130 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.123 -3.900 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.858 -3.788 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.906 -2.393 2.016 1.00 0.00 H new ATOM 0 HE ARG A 112 0.143 -3.236 3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.570 -4.022 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.411 -4.371 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.058 -3.722 5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.361 -4.201 6.752 1.00 0.00 H new ATOM 1717 N ALA A 113 0.179 -8.947 0.161 1.00 0.00 N ATOM 1718 CA ALA A 113 0.397 -10.378 0.265 1.00 0.00 C ATOM 1719 C ALA A 113 1.713 -10.745 -0.415 1.00 0.00 C ATOM 1720 O ALA A 113 1.732 -11.320 -1.504 1.00 0.00 O ATOM 1721 CB ALA A 113 -0.765 -11.123 -0.365 1.00 0.00 C ATOM 0 H ALA A 113 -0.531 -8.680 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 113 0.457 -10.665 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.596 -12.197 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.688 -10.861 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.847 -10.847 -1.416 1.00 0.00 H new ATOM 1727 N GLN A 114 2.809 -10.385 0.229 1.00 0.00 N ATOM 1728 CA GLN A 114 4.130 -10.525 -0.358 1.00 0.00 C ATOM 1729 C GLN A 114 4.972 -11.514 0.434 1.00 0.00 C ATOM 1730 O GLN A 114 4.541 -12.020 1.470 1.00 0.00 O ATOM 1731 CB GLN A 114 4.816 -9.162 -0.386 1.00 0.00 C ATOM 1732 CG GLN A 114 5.065 -8.594 1.001 1.00 0.00 C ATOM 1733 CD GLN A 114 5.475 -7.140 0.981 1.00 0.00 C ATOM 1734 OE1 GLN A 114 6.096 -6.663 0.030 1.00 0.00 O ATOM 1735 NE2 GLN A 114 5.133 -6.429 2.039 1.00 0.00 N ATOM 0 H GLN A 114 2.809 -9.989 1.169 1.00 0.00 H new ATOM 0 HA GLN A 114 4.025 -10.905 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.766 -9.251 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.201 -8.464 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.160 -8.702 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.843 -9.178 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.619 -6.867 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 114 5.383 -5.442 2.092 1.00 0.00 H new ATOM 1744 N GLU A 115 6.179 -11.770 -0.042 1.00 0.00 N ATOM 1745 CA GLU A 115 7.072 -12.708 0.614 1.00 0.00 C ATOM 1746 C GLU A 115 8.516 -12.259 0.450 1.00 0.00 C ATOM 1747 O GLU A 115 8.902 -11.765 -0.612 1.00 0.00 O ATOM 1748 CB GLU A 115 6.881 -14.109 0.031 1.00 0.00 C ATOM 1749 CG GLU A 115 7.733 -15.173 0.703 1.00 0.00 C ATOM 1750 CD GLU A 115 7.479 -16.552 0.140 1.00 0.00 C ATOM 1751 OE1 GLU A 115 8.134 -16.924 -0.853 1.00 0.00 O ATOM 1752 OE2 GLU A 115 6.616 -17.269 0.682 1.00 0.00 O ATOM 0 H GLU A 115 6.563 -11.339 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 115 6.835 -12.737 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.831 -14.389 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.118 -14.085 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.787 -14.922 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.528 -15.177 1.774 1.00 0.00 H new ATOM 1759 N ALA A 116 9.300 -12.416 1.506 1.00 0.00 N ATOM 1760 CA ALA A 116 10.715 -12.068 1.476 1.00 0.00 C ATOM 1761 C ALA A 116 11.574 -13.316 1.665 1.00 0.00 C ATOM 1762 O ALA A 116 12.045 -13.596 2.773 1.00 0.00 O ATOM 1763 CB ALA A 116 11.031 -11.031 2.547 1.00 0.00 C ATOM 0 H ALA A 116 8.978 -12.785 2.401 1.00 0.00 H new ATOM 0 HA ALA A 116 10.946 -11.636 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.092 -10.782 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.441 -10.132 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 116 10.787 -11.436 3.529 1.00 0.00 H new ATOM 1769 N PRO A 117 11.803 -14.080 0.583 1.00 0.00 N ATOM 1770 CA PRO A 117 12.512 -15.349 0.638 1.00 0.00 C ATOM 1771 C PRO A 117 14.024 -15.171 0.539 1.00 0.00 C ATOM 1772 O PRO A 117 14.663 -15.689 -0.377 1.00 0.00 O ATOM 1773 CB PRO A 117 11.979 -16.111 -0.587 1.00 0.00 C ATOM 1774 CG PRO A 117 11.175 -15.125 -1.386 1.00 0.00 C ATOM 1775 CD PRO A 117 11.418 -13.764 -0.792 1.00 0.00 C ATOM 0 HA PRO A 117 12.347 -15.867 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 117 12.800 -16.514 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 117 11.363 -16.956 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 117 11.473 -15.146 -2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.115 -15.376 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.205 -13.226 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.525 -13.140 -0.830 1.00 0.00 H new ATOM 1783 N GLY A 118 14.586 -14.423 1.475 1.00 0.00 N ATOM 1784 CA GLY A 118 16.021 -14.219 1.500 1.00 0.00 C ATOM 1785 C GLY A 118 16.660 -14.906 2.686 1.00 0.00 C ATOM 1786 O GLY A 118 16.868 -16.118 2.674 1.00 0.00 O ATOM 0 H GLY A 118 14.074 -13.952 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.460 -14.601 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 118 16.237 -13.151 1.538 1.00 0.00 H new ATOM 1790 N GLN A 119 16.963 -14.134 3.713 1.00 0.00 N ATOM 1791 CA GLN A 119 17.532 -14.666 4.933 1.00 0.00 C ATOM 1792 C GLN A 119 16.837 -14.056 6.145 1.00 0.00 C ATOM 1793 O GLN A 119 15.747 -13.490 6.023 1.00 0.00 O ATOM 1794 CB GLN A 119 19.030 -14.373 4.982 1.00 0.00 C ATOM 1795 CG GLN A 119 19.379 -12.897 4.849 1.00 0.00 C ATOM 1796 CD GLN A 119 20.860 -12.642 5.023 1.00 0.00 C ATOM 1797 OE1 GLN A 119 21.544 -13.363 5.748 1.00 0.00 O ATOM 1798 NE2 GLN A 119 21.367 -11.617 4.360 1.00 0.00 N ATOM 0 H GLN A 119 16.821 -13.124 3.723 1.00 0.00 H new ATOM 0 HA GLN A 119 17.384 -15.746 4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.432 -14.747 5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 119 19.524 -14.926 4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 119 19.063 -12.537 3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 119 18.824 -12.326 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 119 20.765 -11.044 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 119 22.360 -11.399 4.439 1.00 0.00 H new ATOM 1807 N ALA A 120 17.462 -14.180 7.307 1.00 0.00 N ATOM 1808 CA ALA A 120 16.937 -13.586 8.523 1.00 0.00 C ATOM 1809 C ALA A 120 17.449 -12.160 8.676 1.00 0.00 C ATOM 1810 O ALA A 120 16.767 -11.226 8.206 1.00 0.00 O ATOM 1811 CB ALA A 120 17.319 -14.426 9.734 1.00 0.00 C ATOM 1812 OXT ALA A 120 18.544 -11.979 9.245 1.00 0.00 O ATOM 0 H ALA A 120 18.337 -14.689 7.431 1.00 0.00 H new ATOM 0 HA ALA A 120 15.849 -13.558 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.917 -13.966 10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.909 -15.430 9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 120 18.405 -14.484 9.809 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -18.143 21.865 4.415 1.00 0.00 N ATOM 1820 CA GLN B 1 -18.534 20.582 3.788 1.00 0.00 C ATOM 1821 C GLN B 1 -17.454 20.078 2.829 1.00 0.00 C ATOM 1822 O GLN B 1 -16.806 19.064 3.094 1.00 0.00 O ATOM 1823 CB GLN B 1 -19.879 20.725 3.055 1.00 0.00 C ATOM 1824 CG GLN B 1 -19.944 21.907 2.098 1.00 0.00 C ATOM 1825 CD GLN B 1 -21.179 21.895 1.223 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -21.719 20.836 0.900 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -21.632 23.071 0.826 1.00 0.00 N ATOM 0 H1 GLN B 1 -18.941 22.240 4.966 1.00 0.00 H new ATOM 0 H2 GLN B 1 -17.330 21.710 5.045 1.00 0.00 H new ATOM 0 H3 GLN B 1 -17.882 22.548 3.675 1.00 0.00 H new ATOM 0 HA GLN B 1 -18.646 19.845 4.583 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -20.076 19.809 2.498 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -20.674 20.826 3.794 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -19.922 22.833 2.672 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -19.057 21.903 1.464 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -21.156 23.925 1.116 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -22.458 23.125 0.230 1.00 0.00 H new ATOM 1838 N ASP B 2 -17.245 20.798 1.735 1.00 0.00 N ATOM 1839 CA ASP B 2 -16.335 20.358 0.689 1.00 0.00 C ATOM 1840 C ASP B 2 -15.032 21.134 0.760 1.00 0.00 C ATOM 1841 O ASP B 2 -15.012 22.298 1.163 1.00 0.00 O ATOM 1842 CB ASP B 2 -16.987 20.544 -0.686 1.00 0.00 C ATOM 1843 CG ASP B 2 -16.109 20.071 -1.826 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -16.134 18.866 -2.135 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -15.408 20.911 -2.431 1.00 0.00 O ATOM 0 H ASP B 2 -17.696 21.694 1.550 1.00 0.00 H new ATOM 0 HA ASP B 2 -16.117 19.300 0.837 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -17.931 19.999 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -17.224 21.598 -0.830 1.00 0.00 H new ATOM 1850 N THR B 3 -13.945 20.478 0.408 1.00 0.00 N ATOM 1851 CA THR B 3 -12.644 21.111 0.380 1.00 0.00 C ATOM 1852 C THR B 3 -11.807 20.521 -0.747 1.00 0.00 C ATOM 1853 O THR B 3 -11.708 19.300 -0.879 1.00 0.00 O ATOM 1854 CB THR B 3 -11.917 20.926 1.728 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.769 21.367 2.796 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.611 21.707 1.765 1.00 0.00 C ATOM 0 H THR B 3 -13.939 19.495 0.135 1.00 0.00 H new ATOM 0 HA THR B 3 -12.782 22.178 0.207 1.00 0.00 H new ATOM 0 HB THR B 3 -11.684 19.868 1.847 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.134 20.588 3.266 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.124 21.555 2.728 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.955 21.358 0.967 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.818 22.768 1.626 1.00 0.00 H new ATOM 1864 N ARG B 4 -11.243 21.382 -1.578 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.407 20.935 -2.679 1.00 0.00 C ATOM 1866 C ARG B 4 -9.039 20.499 -2.175 1.00 0.00 C ATOM 1867 O ARG B 4 -8.311 21.278 -1.556 1.00 0.00 O ATOM 1868 CB ARG B 4 -10.246 22.036 -3.726 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.475 21.582 -4.956 1.00 0.00 C ATOM 1870 CD ARG B 4 -9.284 22.714 -5.950 1.00 0.00 C ATOM 1871 NE ARG B 4 -8.428 23.777 -5.427 1.00 0.00 N ATOM 1872 CZ ARG B 4 -8.508 25.050 -5.810 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -9.435 25.429 -6.683 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -7.665 25.945 -5.313 1.00 0.00 N ATOM 0 H ARG B 4 -11.349 22.394 -1.511 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.901 20.081 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -11.232 22.386 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.732 22.885 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.502 21.196 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -10.008 20.762 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.848 22.319 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -10.256 23.131 -6.213 1.00 0.00 H new ATOM 0 HE ARG B 4 -7.728 23.529 -4.728 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -10.089 24.744 -7.062 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -9.493 26.405 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -6.956 25.658 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -7.725 26.920 -5.606 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.707 19.254 -2.446 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.422 18.696 -2.091 1.00 0.00 C ATOM 1890 C LEU B 5 -6.614 18.474 -3.352 1.00 0.00 C ATOM 1891 O LEU B 5 -5.815 19.355 -3.712 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.594 17.368 -1.353 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.765 17.465 0.167 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -9.058 18.177 0.527 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -7.730 16.080 0.790 1.00 0.00 C ATOM 1896 OXT LEU B 5 -6.806 17.429 -3.995 1.00 0.00 O ATOM 0 H LEU B 5 -9.326 18.598 -2.922 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.904 19.392 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -8.463 16.855 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.726 16.743 -1.563 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.937 18.051 0.566 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -9.154 18.232 1.611 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -9.046 19.185 0.113 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -9.904 17.626 0.116 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -7.853 16.164 1.870 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.538 15.476 0.379 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -6.774 15.606 0.569 1.00 0.00 H new TER 1908 LEU B 5