USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 848 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 5 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.467 K(o=-0.47,f=-4.2!) USER MOD Single : A 18 MET CE :methyl -117:sc= -0.0787 (180deg=-0.155) USER MOD Single : A 19 MET CE :methyl 161:sc= -0.294 (180deg=-1.23) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.493) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= 0.27 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.994 K(o=0.99,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 0.811 (180deg=0.392) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.148 K(o=0.15,f=-0.52) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.121 (180deg=-0.621) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 106 MET CE :methyl -169:sc= -2.47! (180deg=-2.95!) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.064) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 9.167 2.656 -3.316 1.00 0.00 N ATOM 42 CA LEU A 4 10.321 2.222 -4.085 1.00 0.00 C ATOM 43 C LEU A 4 10.039 0.845 -4.678 1.00 0.00 C ATOM 44 O LEU A 4 9.646 -0.067 -3.949 1.00 0.00 O ATOM 45 CB LEU A 4 11.549 2.194 -3.164 1.00 0.00 C ATOM 46 CG LEU A 4 12.749 1.515 -3.825 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.174 2.275 -5.076 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.919 1.490 -2.843 1.00 0.00 C ATOM 0 HA LEU A 4 10.520 2.912 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.817 3.214 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.298 1.669 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 4 12.464 0.500 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.029 1.776 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.347 2.299 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.450 3.294 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.777 1.006 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.184 2.511 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.632 0.935 -1.950 1.00 0.00 H new ATOM 60 N THR A 5 10.241 0.685 -5.990 1.00 0.00 N ATOM 61 CA THR A 5 9.969 -0.582 -6.658 1.00 0.00 C ATOM 62 C THR A 5 10.978 -0.750 -7.791 1.00 0.00 C ATOM 63 O THR A 5 11.556 -1.825 -7.927 1.00 0.00 O ATOM 64 CB THR A 5 8.553 -0.553 -7.248 1.00 0.00 C ATOM 65 OG1 THR A 5 8.246 0.737 -7.723 1.00 0.00 O ATOM 66 CG2 THR A 5 7.532 -0.926 -6.174 1.00 0.00 C ATOM 0 H THR A 5 10.592 1.419 -6.606 1.00 0.00 H new ATOM 0 HA THR A 5 10.049 -1.406 -5.949 1.00 0.00 H new ATOM 0 HB THR A 5 8.513 -1.268 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.341 0.741 -8.098 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.530 -0.903 -6.601 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.745 -1.928 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.592 -0.213 -5.351 1.00 0.00 H new ATOM 74 N GLN A 6 11.201 0.287 -8.605 1.00 0.00 N ATOM 75 CA GLN A 6 12.148 0.184 -9.708 1.00 0.00 C ATOM 76 C GLN A 6 13.576 0.285 -9.191 1.00 0.00 C ATOM 77 O GLN A 6 13.999 1.351 -8.739 1.00 0.00 O ATOM 78 CB GLN A 6 11.878 1.258 -10.765 1.00 0.00 C ATOM 79 CG GLN A 6 10.491 1.075 -11.392 1.00 0.00 C ATOM 80 CD GLN A 6 9.376 1.664 -10.537 1.00 0.00 C ATOM 81 OE1 GLN A 6 9.626 2.477 -9.652 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.138 1.254 -10.797 1.00 0.00 N ATOM 0 H GLN A 6 10.743 1.194 -8.519 1.00 0.00 H new ATOM 0 HA GLN A 6 12.018 -0.790 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.948 2.246 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.641 1.209 -11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.476 1.546 -12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.303 0.012 -11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.971 0.577 -11.541 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.356 1.617 -10.252 1.00 0.00 H new ATOM 91 N ILE A 7 14.314 -0.828 -9.259 1.00 0.00 N ATOM 92 CA ILE A 7 15.688 -0.884 -8.790 1.00 0.00 C ATOM 93 C ILE A 7 16.594 -1.504 -9.852 1.00 0.00 C ATOM 94 O ILE A 7 16.241 -2.514 -10.457 1.00 0.00 O ATOM 95 CB ILE A 7 15.748 -1.666 -7.474 1.00 0.00 C ATOM 96 CG1 ILE A 7 14.872 -0.954 -6.436 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.200 -1.765 -6.997 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.021 -1.562 -5.042 1.00 0.00 C ATOM 0 H ILE A 7 13.970 -1.709 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 7 16.049 0.128 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 7 15.372 -2.679 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.139 0.102 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.828 -1.009 -6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.238 -2.322 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.796 -2.280 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.600 -0.763 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.382 -1.025 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.728 -2.612 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.059 -1.483 -4.720 1.00 0.00 H new ATOM 110 N LEU A 8 17.766 -0.900 -10.071 1.00 0.00 N ATOM 111 CA LEU A 8 18.783 -1.463 -10.948 1.00 0.00 C ATOM 112 C LEU A 8 19.818 -2.214 -10.108 1.00 0.00 C ATOM 113 O LEU A 8 20.020 -1.889 -8.939 1.00 0.00 O ATOM 114 CB LEU A 8 19.445 -0.350 -11.769 1.00 0.00 C ATOM 115 CG LEU A 8 20.149 -0.936 -12.999 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.175 -1.011 -14.172 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.338 -0.076 -13.412 1.00 0.00 C ATOM 0 H LEU A 8 18.030 -0.012 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 8 18.321 -2.164 -11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.693 0.374 -12.083 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.165 0.186 -11.151 1.00 0.00 H new ATOM 0 HG LEU A 8 20.502 -1.933 -12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.684 -1.428 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.332 -1.648 -13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.813 -0.010 -14.409 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.818 -0.515 -14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.993 0.929 -13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.054 -0.027 -12.591 1.00 0.00 H new ATOM 129 N ILE A 9 20.470 -3.213 -10.697 1.00 0.00 N ATOM 130 CA ILE A 9 21.490 -3.990 -10.008 1.00 0.00 C ATOM 131 C ILE A 9 22.766 -3.998 -10.847 1.00 0.00 C ATOM 132 O ILE A 9 22.706 -4.070 -12.074 1.00 0.00 O ATOM 133 CB ILE A 9 20.982 -5.416 -9.735 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.558 -5.407 -9.158 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.929 -6.129 -8.766 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.968 -6.815 -9.160 1.00 0.00 C ATOM 0 H ILE A 9 20.306 -3.504 -11.661 1.00 0.00 H new ATOM 0 HA ILE A 9 21.713 -3.535 -9.043 1.00 0.00 H new ATOM 0 HB ILE A 9 20.957 -5.950 -10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.575 -5.015 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.926 -4.741 -9.746 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.564 -7.138 -8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.926 -6.180 -9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.972 -5.577 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.959 -6.787 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.932 -7.193 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.591 -7.471 -8.552 1.00 0.00 H new ATOM 148 N VAL A 10 23.918 -3.928 -10.178 1.00 0.00 N ATOM 149 CA VAL A 10 25.212 -3.910 -10.842 1.00 0.00 C ATOM 150 C VAL A 10 26.190 -4.799 -10.097 1.00 0.00 C ATOM 151 O VAL A 10 26.558 -4.509 -8.962 1.00 0.00 O ATOM 152 CB VAL A 10 25.741 -2.476 -10.954 1.00 0.00 C ATOM 153 CG1 VAL A 10 26.982 -2.454 -11.840 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.684 -1.541 -11.539 1.00 0.00 C ATOM 0 H VAL A 10 23.975 -3.882 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 10 25.096 -4.300 -11.853 1.00 0.00 H new ATOM 0 HB VAL A 10 25.992 -2.128 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.356 -1.433 -11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.752 -3.090 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.727 -2.823 -12.833 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.089 -0.531 -11.606 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.403 -1.886 -12.534 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.805 -1.537 -10.895 1.00 0.00 H new ATOM 164 N GLU A 11 26.617 -5.883 -10.740 1.00 0.00 N ATOM 165 CA GLU A 11 27.512 -6.852 -10.126 1.00 0.00 C ATOM 166 C GLU A 11 28.231 -7.668 -11.199 1.00 0.00 C ATOM 167 O GLU A 11 27.973 -7.502 -12.392 1.00 0.00 O ATOM 168 CB GLU A 11 26.705 -7.777 -9.198 1.00 0.00 C ATOM 169 CG GLU A 11 25.998 -8.913 -9.959 1.00 0.00 C ATOM 170 CD GLU A 11 24.992 -8.406 -10.991 1.00 0.00 C ATOM 171 OE1 GLU A 11 24.305 -7.407 -10.688 1.00 0.00 O ATOM 172 OE2 GLU A 11 24.924 -9.027 -12.076 1.00 0.00 O ATOM 0 H GLU A 11 26.352 -6.111 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 11 28.264 -6.324 -9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 11 27.372 -8.206 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 11 25.962 -7.187 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.746 -9.527 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.484 -9.556 -9.245 1.00 0.00 H new ATOM 179 N ASP A 12 29.131 -8.556 -10.770 1.00 0.00 N ATOM 180 CA ASP A 12 29.798 -9.488 -11.669 1.00 0.00 C ATOM 181 C ASP A 12 29.732 -10.913 -11.096 1.00 0.00 C ATOM 182 O ASP A 12 30.112 -11.872 -11.767 1.00 0.00 O ATOM 183 CB ASP A 12 31.239 -9.025 -11.901 1.00 0.00 C ATOM 184 CG ASP A 12 31.976 -9.903 -12.909 1.00 0.00 C ATOM 185 OD1 ASP A 12 31.309 -10.413 -13.835 1.00 0.00 O ATOM 186 OD2 ASP A 12 33.207 -10.054 -12.741 1.00 0.00 O ATOM 0 H ASP A 12 29.414 -8.646 -9.794 1.00 0.00 H new ATOM 0 HA ASP A 12 29.291 -9.506 -12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.234 -7.994 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.778 -9.033 -10.953 1.00 0.00 H new ATOM 191 N GLU A 13 29.250 -11.065 -9.855 1.00 0.00 N ATOM 192 CA GLU A 13 29.077 -12.382 -9.257 1.00 0.00 C ATOM 193 C GLU A 13 27.711 -12.951 -9.675 1.00 0.00 C ATOM 194 O GLU A 13 26.707 -12.243 -9.597 1.00 0.00 O ATOM 195 CB GLU A 13 29.170 -12.261 -7.731 1.00 0.00 C ATOM 196 CG GLU A 13 29.076 -13.631 -7.047 1.00 0.00 C ATOM 197 CD GLU A 13 30.307 -14.505 -7.293 1.00 0.00 C ATOM 198 OE1 GLU A 13 31.242 -14.029 -7.975 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.294 -15.649 -6.787 1.00 0.00 O ATOM 0 H GLU A 13 28.975 -10.289 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 13 29.859 -13.058 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.111 -11.783 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.369 -11.617 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.947 -13.488 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 13 28.189 -14.152 -7.408 1.00 0.00 H new ATOM 206 N PRO A 14 27.653 -14.217 -10.113 1.00 0.00 N ATOM 207 CA PRO A 14 26.417 -14.844 -10.553 1.00 0.00 C ATOM 208 C PRO A 14 25.397 -14.971 -9.423 1.00 0.00 C ATOM 209 O PRO A 14 24.204 -14.768 -9.639 1.00 0.00 O ATOM 210 CB PRO A 14 26.813 -16.235 -11.058 1.00 0.00 C ATOM 211 CG PRO A 14 28.324 -16.163 -11.271 1.00 0.00 C ATOM 212 CD PRO A 14 28.780 -15.110 -10.271 1.00 0.00 C ATOM 0 HA PRO A 14 25.940 -14.238 -11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 14 26.553 -17.007 -10.333 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.295 -16.481 -11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.801 -17.125 -11.085 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.571 -15.878 -12.294 1.00 0.00 H new ATOM 0 HD2 PRO A 14 29.057 -15.565 -9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.657 -14.575 -10.636 1.00 0.00 H new ATOM 220 N LEU A 15 25.871 -15.306 -8.218 1.00 0.00 N ATOM 221 CA LEU A 15 25.000 -15.569 -7.082 1.00 0.00 C ATOM 222 C LEU A 15 24.314 -14.299 -6.599 1.00 0.00 C ATOM 223 O LEU A 15 23.102 -14.296 -6.395 1.00 0.00 O ATOM 224 CB LEU A 15 25.821 -16.179 -5.945 1.00 0.00 C ATOM 225 CG LEU A 15 25.948 -17.693 -6.119 1.00 0.00 C ATOM 226 CD1 LEU A 15 27.023 -18.216 -5.173 1.00 0.00 C ATOM 227 CD2 LEU A 15 24.621 -18.365 -5.769 1.00 0.00 C ATOM 0 H LEU A 15 26.865 -15.400 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 15 24.225 -16.267 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.812 -15.726 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.348 -15.957 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 15 26.212 -17.915 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.119 -19.295 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.975 -17.739 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 15 26.745 -17.988 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.715 -19.444 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.362 -18.141 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.838 -17.990 -6.429 1.00 0.00 H new ATOM 239 N ILE A 16 25.072 -13.218 -6.418 1.00 0.00 N ATOM 240 CA ILE A 16 24.505 -11.993 -5.877 1.00 0.00 C ATOM 241 C ILE A 16 23.533 -11.374 -6.880 1.00 0.00 C ATOM 242 O ILE A 16 22.649 -10.610 -6.502 1.00 0.00 O ATOM 243 CB ILE A 16 25.637 -11.026 -5.504 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.694 -11.724 -4.633 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.068 -9.809 -4.771 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.103 -12.372 -3.379 1.00 0.00 C ATOM 0 H ILE A 16 26.067 -13.169 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 16 23.939 -12.215 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 16 26.120 -10.695 -6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.199 -12.487 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.451 -10.997 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.879 -9.129 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.357 -9.295 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.562 -10.135 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.899 -12.848 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.622 -11.609 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.367 -13.121 -3.669 1.00 0.00 H new ATOM 258 N ALA A 17 23.684 -11.704 -8.165 1.00 0.00 N ATOM 259 CA ALA A 17 22.781 -11.224 -9.195 1.00 0.00 C ATOM 260 C ALA A 17 21.426 -11.916 -9.070 1.00 0.00 C ATOM 261 O ALA A 17 20.392 -11.254 -9.010 1.00 0.00 O ATOM 262 CB ALA A 17 23.391 -11.495 -10.569 1.00 0.00 C ATOM 0 H ALA A 17 24.431 -12.306 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 17 22.632 -10.151 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.715 -11.135 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.346 -10.977 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.548 -12.567 -10.693 1.00 0.00 H new ATOM 268 N MET A 18 21.424 -13.249 -9.036 1.00 0.00 N ATOM 269 CA MET A 18 20.183 -14.009 -9.027 1.00 0.00 C ATOM 270 C MET A 18 19.476 -13.894 -7.676 1.00 0.00 C ATOM 271 O MET A 18 18.257 -14.028 -7.608 1.00 0.00 O ATOM 272 CB MET A 18 20.476 -15.473 -9.371 1.00 0.00 C ATOM 273 CG MET A 18 21.380 -16.139 -8.328 1.00 0.00 C ATOM 274 SD MET A 18 21.682 -17.903 -8.616 1.00 0.00 S ATOM 275 CE MET A 18 22.704 -17.795 -10.108 1.00 0.00 C ATOM 0 H MET A 18 22.269 -13.820 -9.014 1.00 0.00 H new ATOM 0 HA MET A 18 19.512 -13.596 -9.780 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.538 -16.023 -9.442 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.952 -15.527 -10.350 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.337 -15.617 -8.308 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.930 -16.016 -7.343 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.191 -18.283 -10.937 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.878 -16.748 -10.355 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.659 -18.290 -9.931 1.00 0.00 H new ATOM 285 N MET A 19 20.232 -13.649 -6.602 1.00 0.00 N ATOM 286 CA MET A 19 19.638 -13.476 -5.286 1.00 0.00 C ATOM 287 C MET A 19 18.902 -12.143 -5.192 1.00 0.00 C ATOM 288 O MET A 19 17.821 -12.075 -4.611 1.00 0.00 O ATOM 289 CB MET A 19 20.719 -13.575 -4.211 1.00 0.00 C ATOM 290 CG MET A 19 21.159 -15.029 -4.041 1.00 0.00 C ATOM 291 SD MET A 19 22.338 -15.298 -2.695 1.00 0.00 S ATOM 292 CE MET A 19 21.249 -14.965 -1.287 1.00 0.00 C ATOM 0 H MET A 19 21.249 -13.568 -6.623 1.00 0.00 H new ATOM 0 HA MET A 19 18.909 -14.270 -5.125 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.574 -12.958 -4.486 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.339 -13.189 -3.265 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.277 -15.645 -3.864 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.606 -15.372 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 19 21.680 -15.396 -0.384 1.00 0.00 H new ATOM 0 HE2 MET A 19 21.140 -13.888 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 19 20.271 -15.410 -1.470 1.00 0.00 H new ATOM 302 N LEU A 20 19.476 -11.082 -5.763 1.00 0.00 N ATOM 303 CA LEU A 20 18.858 -9.766 -5.725 1.00 0.00 C ATOM 304 C LEU A 20 17.680 -9.693 -6.688 1.00 0.00 C ATOM 305 O LEU A 20 16.739 -8.939 -6.450 1.00 0.00 O ATOM 306 CB LEU A 20 19.913 -8.705 -6.065 1.00 0.00 C ATOM 307 CG LEU A 20 20.931 -8.549 -4.929 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.019 -7.572 -5.361 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.261 -8.001 -3.674 1.00 0.00 C ATOM 0 H LEU A 20 20.368 -11.114 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 20 18.472 -9.578 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.429 -8.984 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.424 -7.749 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 20 21.356 -9.529 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.746 -7.458 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.520 -7.955 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.571 -6.604 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.002 -7.899 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.824 -7.026 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.477 -8.686 -3.351 1.00 0.00 H new ATOM 321 N GLU A 21 17.711 -10.470 -7.773 1.00 0.00 N ATOM 322 CA GLU A 21 16.586 -10.529 -8.696 1.00 0.00 C ATOM 323 C GLU A 21 15.409 -11.267 -8.062 1.00 0.00 C ATOM 324 O GLU A 21 14.253 -10.932 -8.319 1.00 0.00 O ATOM 325 CB GLU A 21 17.018 -11.227 -9.985 1.00 0.00 C ATOM 326 CG GLU A 21 17.950 -10.319 -10.792 1.00 0.00 C ATOM 327 CD GLU A 21 18.534 -11.033 -12.010 1.00 0.00 C ATOM 328 OE1 GLU A 21 19.235 -10.348 -12.787 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.276 -12.249 -12.157 1.00 0.00 O ATOM 0 H GLU A 21 18.501 -11.063 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 21 16.265 -9.514 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.525 -12.162 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.141 -11.482 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.402 -9.435 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.761 -9.972 -10.152 1.00 0.00 H new ATOM 336 N ASP A 22 15.700 -12.270 -7.227 1.00 0.00 N ATOM 337 CA ASP A 22 14.667 -13.049 -6.567 1.00 0.00 C ATOM 338 C ASP A 22 14.029 -12.264 -5.424 1.00 0.00 C ATOM 339 O ASP A 22 12.807 -12.253 -5.277 1.00 0.00 O ATOM 340 CB ASP A 22 15.276 -14.365 -6.074 1.00 0.00 C ATOM 341 CG ASP A 22 14.287 -15.216 -5.281 1.00 0.00 C ATOM 342 OD1 ASP A 22 13.071 -15.084 -5.536 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.765 -15.994 -4.424 1.00 0.00 O ATOM 0 H ASP A 22 16.651 -12.557 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 22 13.870 -13.270 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.635 -14.937 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.143 -14.147 -5.450 1.00 0.00 H new ATOM 348 N PHE A 23 14.854 -11.599 -4.607 1.00 0.00 N ATOM 349 CA PHE A 23 14.361 -10.873 -3.447 1.00 0.00 C ATOM 350 C PHE A 23 13.533 -9.630 -3.767 1.00 0.00 C ATOM 351 O PHE A 23 12.655 -9.260 -2.994 1.00 0.00 O ATOM 352 CB PHE A 23 15.497 -10.541 -2.484 1.00 0.00 C ATOM 353 CG PHE A 23 15.984 -11.720 -1.666 1.00 0.00 C ATOM 354 CD1 PHE A 23 15.077 -12.477 -0.905 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.346 -12.049 -1.658 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.536 -13.558 -0.143 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.803 -13.133 -0.898 1.00 0.00 C ATOM 358 CZ PHE A 23 16.898 -13.887 -0.138 1.00 0.00 C ATOM 0 H PHE A 23 15.865 -11.553 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 23 13.664 -11.558 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.334 -10.138 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.165 -9.755 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 23 14.027 -12.225 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 23 18.045 -11.466 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.839 -14.139 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.852 -13.388 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.250 -14.721 0.451 1.00 0.00 H new ATOM 368 N LEU A 24 13.800 -8.976 -4.897 1.00 0.00 N ATOM 369 CA LEU A 24 13.039 -7.794 -5.264 1.00 0.00 C ATOM 370 C LEU A 24 11.661 -8.193 -5.782 1.00 0.00 C ATOM 371 O LEU A 24 10.679 -7.515 -5.498 1.00 0.00 O ATOM 372 CB LEU A 24 13.804 -6.988 -6.313 1.00 0.00 C ATOM 373 CG LEU A 24 15.055 -6.340 -5.706 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.838 -5.650 -6.820 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.673 -5.306 -4.647 1.00 0.00 C ATOM 0 H LEU A 24 14.527 -9.243 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 24 12.901 -7.169 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.092 -7.639 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.155 -6.216 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 24 15.660 -7.113 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.731 -5.184 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.129 -6.386 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.214 -4.886 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.577 -4.860 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.061 -4.528 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.109 -5.792 -3.851 1.00 0.00 H new ATOM 387 N GLU A 25 11.576 -9.290 -6.534 1.00 0.00 N ATOM 388 CA GLU A 25 10.307 -9.706 -7.114 1.00 0.00 C ATOM 389 C GLU A 25 9.358 -10.266 -6.052 1.00 0.00 C ATOM 390 O GLU A 25 8.143 -10.233 -6.246 1.00 0.00 O ATOM 391 CB GLU A 25 10.557 -10.732 -8.219 1.00 0.00 C ATOM 392 CG GLU A 25 11.205 -10.056 -9.428 1.00 0.00 C ATOM 393 CD GLU A 25 11.387 -11.025 -10.596 1.00 0.00 C ATOM 394 OE1 GLU A 25 11.807 -10.550 -11.675 1.00 0.00 O ATOM 395 OE2 GLU A 25 11.104 -12.231 -10.406 1.00 0.00 O ATOM 0 H GLU A 25 12.365 -9.899 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 25 9.823 -8.830 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.203 -11.527 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.616 -11.197 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.589 -9.215 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.174 -9.649 -9.140 1.00 0.00 H new ATOM 402 N VAL A 26 9.893 -10.775 -4.935 1.00 0.00 N ATOM 403 CA VAL A 26 9.054 -11.273 -3.848 1.00 0.00 C ATOM 404 C VAL A 26 8.599 -10.160 -2.905 1.00 0.00 C ATOM 405 O VAL A 26 7.591 -10.300 -2.216 1.00 0.00 O ATOM 406 CB VAL A 26 9.755 -12.423 -3.109 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.782 -11.899 -2.107 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.726 -13.262 -2.357 1.00 0.00 C ATOM 0 H VAL A 26 10.896 -10.851 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 26 8.141 -11.673 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 26 10.268 -13.029 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.259 -12.739 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.538 -11.315 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.283 -11.269 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.231 -14.075 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.204 -12.635 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.007 -13.675 -3.064 1.00 0.00 H new ATOM 418 N LEU A 27 9.345 -9.046 -2.874 1.00 0.00 N ATOM 419 CA LEU A 27 8.960 -7.860 -2.115 1.00 0.00 C ATOM 420 C LEU A 27 8.000 -6.992 -2.931 1.00 0.00 C ATOM 421 O LEU A 27 7.790 -5.828 -2.594 1.00 0.00 O ATOM 422 CB LEU A 27 10.209 -7.060 -1.722 1.00 0.00 C ATOM 423 CG LEU A 27 11.062 -7.795 -0.683 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.370 -7.031 -0.482 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.333 -7.879 0.656 1.00 0.00 C ATOM 0 H LEU A 27 10.228 -8.948 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 27 8.447 -8.175 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.809 -6.866 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.908 -6.091 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 27 11.257 -8.805 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.983 -7.548 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.909 -6.977 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.152 -6.022 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.958 -8.405 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.125 -6.873 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.395 -8.419 0.526 1.00 0.00 H new ATOM 437 N ASP A 28 7.422 -7.552 -4.000 1.00 0.00 N ATOM 438 CA ASP A 28 6.564 -6.818 -4.923 1.00 0.00 C ATOM 439 C ASP A 28 7.252 -5.615 -5.576 1.00 0.00 C ATOM 440 O ASP A 28 6.590 -4.685 -6.035 1.00 0.00 O ATOM 441 CB ASP A 28 5.220 -6.460 -4.271 1.00 0.00 C ATOM 442 CG ASP A 28 4.348 -7.690 -4.029 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.769 -8.801 -4.432 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.259 -7.503 -3.438 1.00 0.00 O ATOM 0 H ASP A 28 7.541 -8.535 -4.246 1.00 0.00 H new ATOM 0 HA ASP A 28 6.351 -7.494 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.402 -5.954 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.684 -5.758 -4.910 1.00 0.00 H new ATOM 449 N LYS A 29 8.588 -5.639 -5.615 1.00 0.00 N ATOM 450 CA LYS A 29 9.379 -4.630 -6.305 1.00 0.00 C ATOM 451 C LYS A 29 9.763 -5.159 -7.685 1.00 0.00 C ATOM 452 O LYS A 29 9.354 -6.255 -8.067 1.00 0.00 O ATOM 453 CB LYS A 29 10.616 -4.279 -5.471 1.00 0.00 C ATOM 454 CG LYS A 29 10.200 -3.826 -4.071 1.00 0.00 C ATOM 455 CD LYS A 29 11.397 -3.214 -3.344 1.00 0.00 C ATOM 456 CE LYS A 29 11.018 -2.852 -1.907 1.00 0.00 C ATOM 457 NZ LYS A 29 9.872 -1.923 -1.865 1.00 0.00 N ATOM 0 H LYS A 29 9.148 -6.364 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 29 8.798 -3.717 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.273 -5.146 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.183 -3.489 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.394 -3.096 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.814 -4.674 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.228 -3.919 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.736 -2.323 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.772 -3.759 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.874 -2.398 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.831 -1.464 -0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.985 -1.199 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.991 -2.451 -2.030 1.00 0.00 H new ATOM 471 N THR A 30 10.554 -4.387 -8.434 1.00 0.00 N ATOM 472 CA THR A 30 10.922 -4.754 -9.791 1.00 0.00 C ATOM 473 C THR A 30 12.398 -4.528 -10.114 1.00 0.00 C ATOM 474 O THR A 30 12.857 -3.386 -10.120 1.00 0.00 O ATOM 475 CB THR A 30 10.020 -4.049 -10.810 1.00 0.00 C ATOM 476 OG1 THR A 30 8.702 -3.941 -10.314 1.00 0.00 O ATOM 477 CG2 THR A 30 10.010 -4.824 -12.124 1.00 0.00 C ATOM 0 H THR A 30 10.950 -3.502 -8.116 1.00 0.00 H new ATOM 0 HA THR A 30 10.766 -5.830 -9.863 1.00 0.00 H new ATOM 0 HB THR A 30 10.414 -3.048 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.140 -3.487 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.366 -4.315 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.023 -4.880 -12.521 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.633 -5.832 -11.949 1.00 0.00 H new ATOM 485 N PRO A 31 13.155 -5.603 -10.387 1.00 0.00 N ATOM 486 CA PRO A 31 14.501 -5.512 -10.917 1.00 0.00 C ATOM 487 C PRO A 31 14.411 -5.106 -12.388 1.00 0.00 C ATOM 488 O PRO A 31 14.346 -5.962 -13.270 1.00 0.00 O ATOM 489 CB PRO A 31 15.111 -6.900 -10.733 1.00 0.00 C ATOM 490 CG PRO A 31 13.906 -7.845 -10.705 1.00 0.00 C ATOM 491 CD PRO A 31 12.743 -6.984 -10.206 1.00 0.00 C ATOM 0 HA PRO A 31 15.120 -4.768 -10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.791 -7.147 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.686 -6.962 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.700 -8.252 -11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.083 -8.692 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.833 -7.196 -10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.526 -7.192 -9.158 1.00 0.00 H new ATOM 499 N VAL A 32 14.402 -3.797 -12.652 1.00 0.00 N ATOM 500 CA VAL A 32 14.170 -3.268 -13.992 1.00 0.00 C ATOM 501 C VAL A 32 15.362 -3.468 -14.927 1.00 0.00 C ATOM 502 O VAL A 32 15.271 -3.137 -16.105 1.00 0.00 O ATOM 503 CB VAL A 32 13.770 -1.786 -13.915 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.620 -1.594 -12.927 1.00 0.00 C ATOM 505 CG2 VAL A 32 14.944 -0.910 -13.473 1.00 0.00 C ATOM 0 H VAL A 32 14.555 -3.079 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 32 13.348 -3.838 -14.424 1.00 0.00 H new ATOM 0 HB VAL A 32 13.459 -1.485 -14.916 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.349 -0.539 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.759 -2.177 -13.253 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.931 -1.929 -11.937 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.625 0.131 -13.430 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.283 -1.227 -12.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.761 -1.010 -14.187 1.00 0.00 H new ATOM 515 N GLY A 33 16.475 -4.001 -14.424 1.00 0.00 N ATOM 516 CA GLY A 33 17.620 -4.283 -15.276 1.00 0.00 C ATOM 517 C GLY A 33 18.853 -4.665 -14.471 1.00 0.00 C ATOM 518 O GLY A 33 18.936 -4.394 -13.274 1.00 0.00 O ATOM 0 H GLY A 33 16.604 -4.242 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.370 -5.093 -15.962 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.842 -3.407 -15.885 1.00 0.00 H new ATOM 522 N THR A 34 19.814 -5.297 -15.149 1.00 0.00 N ATOM 523 CA THR A 34 21.083 -5.701 -14.560 1.00 0.00 C ATOM 524 C THR A 34 22.237 -5.520 -15.537 1.00 0.00 C ATOM 525 O THR A 34 22.117 -5.879 -16.706 1.00 0.00 O ATOM 526 CB THR A 34 21.013 -7.141 -14.036 1.00 0.00 C ATOM 527 OG1 THR A 34 19.791 -7.367 -13.367 1.00 0.00 O ATOM 528 CG2 THR A 34 22.175 -7.413 -13.089 1.00 0.00 C ATOM 0 H THR A 34 19.727 -5.544 -16.135 1.00 0.00 H new ATOM 0 HA THR A 34 21.275 -5.046 -13.710 1.00 0.00 H new ATOM 0 HB THR A 34 21.078 -7.819 -14.887 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.689 -8.325 -13.187 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.114 -8.438 -12.724 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.117 -7.272 -13.619 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.126 -6.724 -12.246 1.00 0.00 H new ATOM 536 N VAL A 35 23.352 -4.961 -15.057 1.00 0.00 N ATOM 537 CA VAL A 35 24.524 -4.715 -15.886 1.00 0.00 C ATOM 538 C VAL A 35 25.807 -5.058 -15.130 1.00 0.00 C ATOM 539 O VAL A 35 25.798 -5.173 -13.908 1.00 0.00 O ATOM 540 CB VAL A 35 24.529 -3.270 -16.411 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.165 -2.866 -16.973 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.880 -2.291 -15.296 1.00 0.00 C ATOM 0 H VAL A 35 23.462 -4.669 -14.086 1.00 0.00 H new ATOM 0 HA VAL A 35 24.478 -5.372 -16.754 1.00 0.00 H new ATOM 0 HB VAL A 35 25.276 -3.232 -17.204 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.210 -1.838 -17.334 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.900 -3.529 -17.797 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.411 -2.943 -16.189 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.878 -1.275 -15.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.144 -2.372 -14.496 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.870 -2.526 -14.904 1.00 0.00 H new ATOM 552 N ASP A 36 26.916 -5.220 -15.859 1.00 0.00 N ATOM 553 CA ASP A 36 28.193 -5.600 -15.267 1.00 0.00 C ATOM 554 C ASP A 36 29.326 -4.619 -15.583 1.00 0.00 C ATOM 555 O ASP A 36 30.473 -4.862 -15.211 1.00 0.00 O ATOM 556 CB ASP A 36 28.567 -7.039 -15.653 1.00 0.00 C ATOM 557 CG ASP A 36 28.498 -7.310 -17.160 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.120 -6.387 -17.914 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.831 -8.454 -17.543 1.00 0.00 O ATOM 0 H ASP A 36 26.949 -5.091 -16.870 1.00 0.00 H new ATOM 0 HA ASP A 36 28.059 -5.555 -14.186 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.577 -7.250 -15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.899 -7.729 -15.138 1.00 0.00 H new ATOM 564 N THR A 37 29.017 -3.515 -16.267 1.00 0.00 N ATOM 565 CA THR A 37 30.004 -2.484 -16.580 1.00 0.00 C ATOM 566 C THR A 37 29.483 -1.081 -16.310 1.00 0.00 C ATOM 567 O THR A 37 28.274 -0.851 -16.317 1.00 0.00 O ATOM 568 CB THR A 37 30.546 -2.614 -18.007 1.00 0.00 C ATOM 569 OG1 THR A 37 29.690 -1.938 -18.903 1.00 0.00 O ATOM 570 CG2 THR A 37 30.683 -4.072 -18.443 1.00 0.00 C ATOM 0 H THR A 37 28.080 -3.313 -16.617 1.00 0.00 H new ATOM 0 HA THR A 37 30.840 -2.650 -15.901 1.00 0.00 H new ATOM 0 HB THR A 37 31.540 -2.168 -18.020 1.00 0.00 H new ATOM 0 HG1 THR A 37 30.039 -2.021 -19.815 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.071 -4.112 -19.461 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.369 -4.589 -17.773 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.707 -4.556 -18.407 1.00 0.00 H new ATOM 578 N VAL A 38 30.394 -0.133 -16.076 1.00 0.00 N ATOM 579 CA VAL A 38 29.992 1.234 -15.784 1.00 0.00 C ATOM 580 C VAL A 38 29.413 1.942 -17.001 1.00 0.00 C ATOM 581 O VAL A 38 28.630 2.875 -16.854 1.00 0.00 O ATOM 582 CB VAL A 38 31.124 2.038 -15.131 1.00 0.00 C ATOM 583 CG1 VAL A 38 31.945 1.181 -14.171 1.00 0.00 C ATOM 584 CG2 VAL A 38 32.059 2.655 -16.174 1.00 0.00 C ATOM 0 H VAL A 38 31.402 -0.289 -16.084 1.00 0.00 H new ATOM 0 HA VAL A 38 29.186 1.171 -15.053 1.00 0.00 H new ATOM 0 HB VAL A 38 30.642 2.839 -14.570 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.736 1.786 -13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.298 0.797 -13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.387 0.347 -14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.846 3.216 -15.670 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.505 1.864 -16.776 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.492 3.326 -16.819 1.00 0.00 H new ATOM 594 N ALA A 39 29.790 1.504 -18.204 1.00 0.00 N ATOM 595 CA ALA A 39 29.250 2.080 -19.424 1.00 0.00 C ATOM 596 C ALA A 39 27.766 1.728 -19.551 1.00 0.00 C ATOM 597 O ALA A 39 26.974 2.543 -20.018 1.00 0.00 O ATOM 598 CB ALA A 39 30.044 1.553 -20.621 1.00 0.00 C ATOM 0 H ALA A 39 30.465 0.754 -18.353 1.00 0.00 H new ATOM 0 HA ALA A 39 29.338 3.166 -19.395 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.644 1.981 -21.540 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.092 1.835 -20.515 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.963 0.467 -20.662 1.00 0.00 H new ATOM 604 N GLY A 40 27.394 0.513 -19.134 1.00 0.00 N ATOM 605 CA GLY A 40 26.005 0.080 -19.158 1.00 0.00 C ATOM 606 C GLY A 40 25.250 0.642 -17.962 1.00 0.00 C ATOM 607 O GLY A 40 24.051 0.894 -18.049 1.00 0.00 O ATOM 0 H GLY A 40 28.044 -0.186 -18.775 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.531 0.410 -20.082 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.957 -1.009 -19.147 1.00 0.00 H new ATOM 611 N ALA A 41 25.945 0.847 -16.840 1.00 0.00 N ATOM 612 CA ALA A 41 25.320 1.363 -15.633 1.00 0.00 C ATOM 613 C ALA A 41 25.000 2.848 -15.786 1.00 0.00 C ATOM 614 O ALA A 41 23.951 3.299 -15.336 1.00 0.00 O ATOM 615 CB ALA A 41 26.266 1.134 -14.456 1.00 0.00 C ATOM 0 H ALA A 41 26.944 0.661 -16.749 1.00 0.00 H new ATOM 0 HA ALA A 41 24.381 0.840 -15.454 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.810 1.517 -13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.458 0.067 -14.346 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.206 1.655 -14.638 1.00 0.00 H new ATOM 621 N LEU A 42 25.899 3.606 -16.424 1.00 0.00 N ATOM 622 CA LEU A 42 25.682 5.025 -16.660 1.00 0.00 C ATOM 623 C LEU A 42 24.605 5.215 -17.726 1.00 0.00 C ATOM 624 O LEU A 42 23.888 6.210 -17.705 1.00 0.00 O ATOM 625 CB LEU A 42 27.000 5.674 -17.100 1.00 0.00 C ATOM 626 CG LEU A 42 27.995 5.766 -15.937 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.352 6.212 -16.476 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.527 6.779 -14.894 1.00 0.00 C ATOM 0 H LEU A 42 26.785 3.252 -16.785 1.00 0.00 H new ATOM 0 HA LEU A 42 25.343 5.503 -15.741 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.440 5.094 -17.912 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.803 6.672 -17.492 1.00 0.00 H new ATOM 0 HG LEU A 42 28.068 4.785 -15.467 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.065 6.280 -15.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.709 5.487 -17.208 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.252 7.188 -16.951 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.251 6.824 -14.080 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.438 7.762 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.557 6.474 -14.500 1.00 0.00 H new ATOM 640 N ALA A 43 24.494 4.262 -18.656 1.00 0.00 N ATOM 641 CA ALA A 43 23.481 4.333 -19.698 1.00 0.00 C ATOM 642 C ALA A 43 22.096 4.009 -19.132 1.00 0.00 C ATOM 643 O ALA A 43 21.103 4.593 -19.562 1.00 0.00 O ATOM 644 CB ALA A 43 23.851 3.359 -20.816 1.00 0.00 C ATOM 0 H ALA A 43 25.093 3.438 -18.704 1.00 0.00 H new ATOM 0 HA ALA A 43 23.443 5.346 -20.098 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.098 3.405 -21.602 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.823 3.631 -21.228 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.897 2.346 -20.416 1.00 0.00 H new ATOM 650 N ARG A 44 22.024 3.084 -18.167 1.00 0.00 N ATOM 651 CA ARG A 44 20.752 2.682 -17.578 1.00 0.00 C ATOM 652 C ARG A 44 20.248 3.696 -16.556 1.00 0.00 C ATOM 653 O ARG A 44 19.050 3.960 -16.501 1.00 0.00 O ATOM 654 CB ARG A 44 20.894 1.294 -16.942 1.00 0.00 C ATOM 655 CG ARG A 44 20.901 0.184 -17.997 1.00 0.00 C ATOM 656 CD ARG A 44 19.613 0.179 -18.828 1.00 0.00 C ATOM 657 NE ARG A 44 18.419 0.147 -17.972 1.00 0.00 N ATOM 658 CZ ARG A 44 17.627 -0.918 -17.816 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.893 -2.065 -18.435 1.00 0.00 N ATOM 660 NH2 ARG A 44 16.554 -0.836 -17.037 1.00 0.00 N ATOM 0 H ARG A 44 22.836 2.602 -17.781 1.00 0.00 H new ATOM 0 HA ARG A 44 20.009 2.641 -18.375 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.817 1.252 -16.364 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.073 1.128 -16.245 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.759 0.315 -18.657 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.021 -0.782 -17.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.584 1.066 -19.461 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.610 -0.686 -19.491 1.00 0.00 H new ATOM 0 HE ARG A 44 18.178 0.997 -17.462 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.711 -2.141 -19.039 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.279 -2.869 -18.306 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.336 0.039 -16.559 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.948 -1.648 -16.916 1.00 0.00 H new ATOM 674 N VAL A 45 21.146 4.267 -15.750 1.00 0.00 N ATOM 675 CA VAL A 45 20.749 5.267 -14.767 1.00 0.00 C ATOM 676 C VAL A 45 20.359 6.591 -15.424 1.00 0.00 C ATOM 677 O VAL A 45 19.598 7.369 -14.853 1.00 0.00 O ATOM 678 CB VAL A 45 21.856 5.444 -13.720 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.025 6.262 -14.273 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.308 6.167 -12.492 1.00 0.00 C ATOM 0 H VAL A 45 22.143 4.054 -15.761 1.00 0.00 H new ATOM 0 HA VAL A 45 19.855 4.910 -14.257 1.00 0.00 H new ATOM 0 HB VAL A 45 22.209 4.448 -13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.791 6.368 -13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.448 5.753 -15.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.670 7.249 -14.570 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.103 6.287 -11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.933 7.148 -12.784 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.496 5.583 -12.058 1.00 0.00 H new ATOM 690 N GLU A 46 20.876 6.851 -16.629 1.00 0.00 N ATOM 691 CA GLU A 46 20.551 8.063 -17.364 1.00 0.00 C ATOM 692 C GLU A 46 19.175 7.953 -18.026 1.00 0.00 C ATOM 693 O GLU A 46 18.535 8.969 -18.293 1.00 0.00 O ATOM 694 CB GLU A 46 21.657 8.315 -18.395 1.00 0.00 C ATOM 695 CG GLU A 46 21.357 9.510 -19.300 1.00 0.00 C ATOM 696 CD GLU A 46 21.287 10.838 -18.540 1.00 0.00 C ATOM 697 OE1 GLU A 46 20.967 11.851 -19.197 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.553 10.830 -17.316 1.00 0.00 O ATOM 0 H GLU A 46 21.525 6.230 -17.113 1.00 0.00 H new ATOM 0 HA GLU A 46 20.498 8.909 -16.679 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.600 8.485 -17.876 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.787 7.423 -19.008 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.127 9.578 -20.068 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.410 9.341 -19.812 1.00 0.00 H new ATOM 705 N ASP A 47 18.716 6.725 -18.294 1.00 0.00 N ATOM 706 CA ASP A 47 17.410 6.498 -18.897 1.00 0.00 C ATOM 707 C ASP A 47 16.245 6.817 -17.961 1.00 0.00 C ATOM 708 O ASP A 47 15.097 6.881 -18.399 1.00 0.00 O ATOM 709 CB ASP A 47 17.313 5.072 -19.452 1.00 0.00 C ATOM 710 CG ASP A 47 18.119 4.893 -20.737 1.00 0.00 C ATOM 711 OD1 ASP A 47 18.645 5.910 -21.248 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.200 3.732 -21.199 1.00 0.00 O ATOM 0 H ASP A 47 19.239 5.871 -18.099 1.00 0.00 H new ATOM 0 HA ASP A 47 17.321 7.202 -19.724 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.670 4.367 -18.701 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.268 4.830 -19.645 1.00 0.00 H new ATOM 717 N GLY A 48 16.537 7.019 -16.674 1.00 0.00 N ATOM 718 CA GLY A 48 15.530 7.388 -15.691 1.00 0.00 C ATOM 719 C GLY A 48 14.550 6.245 -15.430 1.00 0.00 C ATOM 720 O GLY A 48 14.766 5.113 -15.866 1.00 0.00 O ATOM 0 H GLY A 48 17.478 6.930 -16.290 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.018 7.669 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.983 8.264 -16.041 1.00 0.00 H new ATOM 724 N GLY A 49 13.470 6.552 -14.707 1.00 0.00 N ATOM 725 CA GLY A 49 12.449 5.572 -14.359 1.00 0.00 C ATOM 726 C GLY A 49 12.902 4.669 -13.211 1.00 0.00 C ATOM 727 O GLY A 49 12.130 3.838 -12.734 1.00 0.00 O ATOM 0 H GLY A 49 13.283 7.488 -14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.531 6.087 -14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.217 4.962 -15.232 1.00 0.00 H new ATOM 731 N ILE A 50 14.151 4.827 -12.764 1.00 0.00 N ATOM 732 CA ILE A 50 14.702 4.046 -11.663 1.00 0.00 C ATOM 733 C ILE A 50 14.662 4.870 -10.382 1.00 0.00 C ATOM 734 O ILE A 50 14.922 6.073 -10.412 1.00 0.00 O ATOM 735 CB ILE A 50 16.138 3.626 -12.000 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.172 2.820 -13.304 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.727 2.792 -10.860 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.589 2.790 -13.881 1.00 0.00 C ATOM 0 H ILE A 50 14.806 5.502 -13.159 1.00 0.00 H new ATOM 0 HA ILE A 50 14.105 3.146 -11.513 1.00 0.00 H new ATOM 0 HB ILE A 50 16.737 4.528 -12.129 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.827 1.803 -13.118 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.488 3.261 -14.029 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.747 2.500 -11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.734 3.382 -9.944 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.120 1.899 -10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.593 2.214 -14.806 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.920 3.808 -14.086 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.265 2.327 -13.162 1.00 0.00 H new ATOM 750 N ASP A 51 14.339 4.227 -9.256 1.00 0.00 N ATOM 751 CA ASP A 51 14.221 4.909 -7.972 1.00 0.00 C ATOM 752 C ASP A 51 15.316 4.547 -6.968 1.00 0.00 C ATOM 753 O ASP A 51 15.467 5.227 -5.956 1.00 0.00 O ATOM 754 CB ASP A 51 12.825 4.689 -7.387 1.00 0.00 C ATOM 755 CG ASP A 51 11.742 5.494 -8.104 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.574 5.387 -7.663 1.00 0.00 O ATOM 757 OD2 ASP A 51 12.080 6.206 -9.078 1.00 0.00 O ATOM 0 H ASP A 51 14.154 3.225 -9.213 1.00 0.00 H new ATOM 0 HA ASP A 51 14.366 5.971 -8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.578 3.629 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.833 4.961 -6.331 1.00 0.00 H new ATOM 762 N ALA A 52 16.081 3.485 -7.241 1.00 0.00 N ATOM 763 CA ALA A 52 17.244 3.110 -6.447 1.00 0.00 C ATOM 764 C ALA A 52 18.124 2.153 -7.248 1.00 0.00 C ATOM 765 O ALA A 52 17.707 1.655 -8.293 1.00 0.00 O ATOM 766 CB ALA A 52 16.801 2.454 -5.138 1.00 0.00 C ATOM 0 H ALA A 52 15.905 2.859 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 52 17.818 4.005 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.679 2.178 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.191 3.155 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.217 1.561 -5.358 1.00 0.00 H new ATOM 772 N ALA A 53 19.341 1.885 -6.768 1.00 0.00 N ATOM 773 CA ALA A 53 20.236 0.971 -7.456 1.00 0.00 C ATOM 774 C ALA A 53 21.177 0.271 -6.476 1.00 0.00 C ATOM 775 O ALA A 53 21.281 0.669 -5.314 1.00 0.00 O ATOM 776 CB ALA A 53 21.024 1.733 -8.517 1.00 0.00 C ATOM 0 H ALA A 53 19.721 2.288 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 53 19.640 0.197 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.696 1.047 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.334 2.175 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.606 2.522 -8.041 1.00 0.00 H new ATOM 782 N ILE A 54 21.865 -0.773 -6.945 1.00 0.00 N ATOM 783 CA ILE A 54 22.819 -1.528 -6.141 1.00 0.00 C ATOM 784 C ILE A 54 24.127 -1.669 -6.927 1.00 0.00 C ATOM 785 O ILE A 54 24.095 -1.821 -8.147 1.00 0.00 O ATOM 786 CB ILE A 54 22.229 -2.894 -5.761 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.785 -2.720 -5.260 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.101 -3.548 -4.683 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.168 -4.054 -4.837 1.00 0.00 C ATOM 0 H ILE A 54 21.772 -1.118 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 54 23.030 -1.000 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 54 22.213 -3.541 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.773 -2.030 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.178 -2.272 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.681 -4.517 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.112 -3.684 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.130 -2.908 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.148 -3.889 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.156 -4.735 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.760 -4.490 -4.032 1.00 0.00 H new ATOM 801 N LEU A 55 25.273 -1.620 -6.236 1.00 0.00 N ATOM 802 CA LEU A 55 26.570 -1.572 -6.900 1.00 0.00 C ATOM 803 C LEU A 55 27.613 -2.439 -6.197 1.00 0.00 C ATOM 804 O LEU A 55 27.925 -2.217 -5.031 1.00 0.00 O ATOM 805 CB LEU A 55 27.042 -0.116 -6.949 1.00 0.00 C ATOM 806 CG LEU A 55 28.386 0.023 -7.676 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.254 -0.391 -9.141 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.831 1.481 -7.620 1.00 0.00 C ATOM 0 H LEU A 55 25.322 -1.613 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 55 26.454 -1.971 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.291 0.493 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.136 0.270 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 55 29.116 -0.624 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.219 -0.285 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 55 27.929 -1.430 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.520 0.246 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.786 1.590 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.084 2.108 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 55 28.942 1.788 -6.580 1.00 0.00 H new ATOM 820 N ASP A 56 28.152 -3.425 -6.913 1.00 0.00 N ATOM 821 CA ASP A 56 29.252 -4.242 -6.428 1.00 0.00 C ATOM 822 C ASP A 56 30.527 -3.406 -6.539 1.00 0.00 C ATOM 823 O ASP A 56 30.695 -2.654 -7.502 1.00 0.00 O ATOM 824 CB ASP A 56 29.330 -5.502 -7.292 1.00 0.00 C ATOM 825 CG ASP A 56 30.294 -6.557 -6.751 1.00 0.00 C ATOM 826 OD1 ASP A 56 30.264 -7.681 -7.300 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.044 -6.240 -5.804 1.00 0.00 O ATOM 0 H ASP A 56 27.833 -3.677 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 56 29.115 -4.547 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.335 -5.939 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.638 -5.223 -8.300 1.00 0.00 H new ATOM 832 N VAL A 57 31.425 -3.529 -5.559 1.00 0.00 N ATOM 833 CA VAL A 57 32.671 -2.775 -5.556 1.00 0.00 C ATOM 834 C VAL A 57 33.489 -3.130 -6.793 1.00 0.00 C ATOM 835 O VAL A 57 34.193 -2.277 -7.334 1.00 0.00 O ATOM 836 CB VAL A 57 33.462 -3.104 -4.286 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.825 -2.409 -4.295 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.686 -2.652 -3.053 1.00 0.00 C ATOM 0 H VAL A 57 31.307 -4.147 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 57 32.453 -1.707 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 57 33.612 -4.183 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.367 -2.659 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.398 -2.743 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.683 -1.330 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.257 -2.891 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.520 -1.576 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.725 -3.166 -3.019 1.00 0.00 H new ATOM 848 N ASN A 58 33.397 -4.386 -7.242 1.00 0.00 N ATOM 849 CA ASN A 58 34.124 -4.855 -8.410 1.00 0.00 C ATOM 850 C ASN A 58 33.150 -5.297 -9.494 1.00 0.00 C ATOM 851 O ASN A 58 32.212 -6.047 -9.232 1.00 0.00 O ATOM 852 CB ASN A 58 35.071 -5.989 -8.010 1.00 0.00 C ATOM 853 CG ASN A 58 36.107 -5.521 -6.998 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.624 -4.413 -7.098 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.422 -6.360 -6.018 1.00 0.00 N ATOM 0 H ASN A 58 32.816 -5.099 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 58 34.723 -4.040 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.496 -6.813 -7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.575 -6.373 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.113 -6.090 -5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 58 35.972 -7.274 -5.965 1.00 0.00 H new ATOM 862 N LEU A 59 33.382 -4.819 -10.720 1.00 0.00 N ATOM 863 CA LEU A 59 32.539 -5.107 -11.869 1.00 0.00 C ATOM 864 C LEU A 59 33.265 -6.094 -12.784 1.00 0.00 C ATOM 865 O LEU A 59 34.226 -6.734 -12.359 1.00 0.00 O ATOM 866 CB LEU A 59 32.218 -3.785 -12.582 1.00 0.00 C ATOM 867 CG LEU A 59 30.886 -3.206 -12.096 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.879 -2.996 -10.582 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.650 -1.857 -12.767 1.00 0.00 C ATOM 0 H LEU A 59 34.173 -4.213 -10.938 1.00 0.00 H new ATOM 0 HA LEU A 59 31.598 -5.567 -11.566 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.018 -3.067 -12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.175 -3.950 -13.659 1.00 0.00 H new ATOM 0 HG LEU A 59 30.101 -3.917 -12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.917 -2.584 -10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.040 -3.951 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.674 -2.303 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.703 -1.441 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.460 -1.175 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.618 -1.989 -13.848 1.00 0.00 H new ATOM 881 N ARG A 60 32.809 -6.216 -14.034 1.00 0.00 N ATOM 882 CA ARG A 60 33.382 -7.141 -15.000 1.00 0.00 C ATOM 883 C ARG A 60 34.900 -6.989 -15.049 1.00 0.00 C ATOM 884 O ARG A 60 35.417 -5.870 -15.029 1.00 0.00 O ATOM 885 CB ARG A 60 32.752 -6.873 -16.364 1.00 0.00 C ATOM 886 CG ARG A 60 33.088 -7.976 -17.370 1.00 0.00 C ATOM 887 CD ARG A 60 32.344 -9.258 -17.008 1.00 0.00 C ATOM 888 NE ARG A 60 32.600 -10.307 -18.007 1.00 0.00 N ATOM 889 CZ ARG A 60 31.693 -10.764 -18.875 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.455 -10.273 -18.895 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.028 -11.721 -19.733 1.00 0.00 N ATOM 0 H ARG A 60 32.028 -5.671 -14.400 1.00 0.00 H new ATOM 0 HA ARG A 60 33.170 -8.169 -14.705 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.670 -6.796 -16.256 1.00 0.00 H new ATOM 0 HB3 ARG A 60 33.103 -5.914 -16.745 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.813 -7.658 -18.376 1.00 0.00 H new ATOM 0 HG3 ARG A 60 34.163 -8.159 -17.376 1.00 0.00 H new ATOM 0 HD2 ARG A 60 32.660 -9.602 -16.023 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.274 -9.059 -16.948 1.00 0.00 H new ATOM 0 HE ARG A 60 33.535 -10.714 -18.039 1.00 0.00 H new ATOM 0 HH11 ARG A 60 30.188 -9.537 -18.241 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.774 -10.633 -19.564 1.00 0.00 H new ATOM 0 HH21 ARG A 60 32.974 -12.103 -19.727 1.00 0.00 H new ATOM 0 HH22 ARG A 60 31.340 -12.074 -20.398 1.00 0.00 H new ATOM 905 N GLY A 61 35.614 -8.114 -15.114 1.00 0.00 N ATOM 906 CA GLY A 61 37.070 -8.119 -15.110 1.00 0.00 C ATOM 907 C GLY A 61 37.629 -8.010 -13.690 1.00 0.00 C ATOM 908 O GLY A 61 38.843 -8.038 -13.501 1.00 0.00 O ATOM 0 H GLY A 61 35.196 -9.043 -15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.433 -9.036 -15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.439 -7.289 -15.712 1.00 0.00 H new ATOM 912 N GLY A 62 36.743 -7.894 -12.694 1.00 0.00 N ATOM 913 CA GLY A 62 37.123 -7.840 -11.291 1.00 0.00 C ATOM 914 C GLY A 62 37.709 -6.484 -10.896 1.00 0.00 C ATOM 915 O GLY A 62 38.145 -6.317 -9.758 1.00 0.00 O ATOM 0 H GLY A 62 35.736 -7.835 -12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 62 36.250 -8.049 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 62 37.854 -8.622 -11.085 1.00 0.00 H new ATOM 919 N GLU A 63 37.726 -5.517 -11.819 1.00 0.00 N ATOM 920 CA GLU A 63 38.260 -4.193 -11.535 1.00 0.00 C ATOM 921 C GLU A 63 37.271 -3.386 -10.693 1.00 0.00 C ATOM 922 O GLU A 63 36.057 -3.503 -10.865 1.00 0.00 O ATOM 923 CB GLU A 63 38.596 -3.480 -12.846 1.00 0.00 C ATOM 924 CG GLU A 63 39.171 -2.086 -12.568 1.00 0.00 C ATOM 925 CD GLU A 63 39.668 -1.410 -13.846 1.00 0.00 C ATOM 926 OE1 GLU A 63 40.117 -0.246 -13.737 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.598 -2.052 -14.918 1.00 0.00 O ATOM 0 H GLU A 63 37.374 -5.633 -12.769 1.00 0.00 H new ATOM 0 HA GLU A 63 39.178 -4.290 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.316 -4.070 -13.413 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.700 -3.394 -13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.407 -1.464 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.993 -2.167 -11.857 1.00 0.00 H new ATOM 934 N LYS A 64 37.799 -2.561 -9.781 1.00 0.00 N ATOM 935 CA LYS A 64 36.982 -1.744 -8.900 1.00 0.00 C ATOM 936 C LYS A 64 36.320 -0.607 -9.678 1.00 0.00 C ATOM 937 O LYS A 64 36.917 -0.065 -10.607 1.00 0.00 O ATOM 938 CB LYS A 64 37.865 -1.217 -7.767 1.00 0.00 C ATOM 939 CG LYS A 64 37.076 -0.318 -6.823 1.00 0.00 C ATOM 940 CD LYS A 64 37.950 0.035 -5.623 1.00 0.00 C ATOM 941 CE LYS A 64 37.194 0.973 -4.685 1.00 0.00 C ATOM 942 NZ LYS A 64 37.972 1.236 -3.460 1.00 0.00 N ATOM 0 H LYS A 64 38.803 -2.447 -9.640 1.00 0.00 H new ATOM 0 HA LYS A 64 36.178 -2.343 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.284 -2.055 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.704 -0.661 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.764 0.589 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.169 -0.824 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.235 -0.872 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.871 0.510 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.985 1.913 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 64 36.232 0.532 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 37.706 2.164 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 37.773 0.496 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.987 1.234 -3.686 1.00 0.00 H new ATOM 956 N SER A 65 35.092 -0.247 -9.299 1.00 0.00 N ATOM 957 CA SER A 65 34.336 0.792 -9.988 1.00 0.00 C ATOM 958 C SER A 65 33.406 1.526 -9.027 1.00 0.00 C ATOM 959 O SER A 65 32.695 0.904 -8.241 1.00 0.00 O ATOM 960 CB SER A 65 33.520 0.160 -11.120 1.00 0.00 C ATOM 961 OG SER A 65 34.376 -0.263 -12.158 1.00 0.00 O ATOM 0 H SER A 65 34.599 -0.666 -8.511 1.00 0.00 H new ATOM 0 HA SER A 65 35.039 1.518 -10.398 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.951 -0.688 -10.739 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.798 0.881 -11.504 1.00 0.00 H new ATOM 0 HG SER A 65 33.845 -0.667 -12.876 1.00 0.00 H new ATOM 967 N THR A 66 33.417 2.861 -9.099 1.00 0.00 N ATOM 968 CA THR A 66 32.503 3.721 -8.353 1.00 0.00 C ATOM 969 C THR A 66 31.954 4.926 -9.131 1.00 0.00 C ATOM 970 O THR A 66 31.391 5.825 -8.506 1.00 0.00 O ATOM 971 CB THR A 66 33.145 4.187 -7.040 1.00 0.00 C ATOM 972 OG1 THR A 66 33.992 5.285 -7.291 1.00 0.00 O ATOM 973 CG2 THR A 66 33.946 3.086 -6.351 1.00 0.00 C ATOM 0 H THR A 66 34.071 3.378 -9.686 1.00 0.00 H new ATOM 0 HA THR A 66 31.637 3.092 -8.149 1.00 0.00 H new ATOM 0 HB THR A 66 32.332 4.470 -6.371 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.400 5.582 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.377 3.473 -5.428 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.289 2.247 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.745 2.750 -7.011 1.00 0.00 H new ATOM 981 N PRO A 67 32.087 4.996 -10.469 1.00 0.00 N ATOM 982 CA PRO A 67 31.726 6.192 -11.211 1.00 0.00 C ATOM 983 C PRO A 67 30.220 6.430 -11.168 1.00 0.00 C ATOM 984 O PRO A 67 29.763 7.553 -11.376 1.00 0.00 O ATOM 985 CB PRO A 67 32.194 5.939 -12.645 1.00 0.00 C ATOM 986 CG PRO A 67 32.174 4.420 -12.763 1.00 0.00 C ATOM 987 CD PRO A 67 32.560 3.958 -11.363 1.00 0.00 C ATOM 0 HA PRO A 67 32.189 7.082 -10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.530 6.407 -13.372 1.00 0.00 H new ATOM 0 HB3 PRO A 67 33.192 6.342 -12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 67 31.190 4.051 -13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.880 4.065 -13.513 1.00 0.00 H new ATOM 0 HD2 PRO A 67 32.102 2.998 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.639 3.827 -11.276 1.00 0.00 H new ATOM 995 N VAL A 68 29.445 5.374 -10.898 1.00 0.00 N ATOM 996 CA VAL A 68 27.994 5.466 -10.887 1.00 0.00 C ATOM 997 C VAL A 68 27.428 5.866 -9.534 1.00 0.00 C ATOM 998 O VAL A 68 26.520 6.686 -9.474 1.00 0.00 O ATOM 999 CB VAL A 68 27.369 4.168 -11.414 1.00 0.00 C ATOM 1000 CG1 VAL A 68 28.189 3.609 -12.577 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.274 3.093 -10.343 1.00 0.00 C ATOM 0 H VAL A 68 29.807 4.445 -10.684 1.00 0.00 H new ATOM 0 HA VAL A 68 27.720 6.276 -11.563 1.00 0.00 H new ATOM 0 HB VAL A 68 26.362 4.427 -11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.730 2.688 -12.937 1.00 0.00 H new ATOM 0 HG12 VAL A 68 28.219 4.340 -13.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 29.204 3.400 -12.239 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.825 2.195 -10.768 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.272 2.859 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.657 3.453 -9.520 1.00 0.00 H new ATOM 1011 N ALA A 69 27.953 5.300 -8.444 1.00 0.00 N ATOM 1012 CA ALA A 69 27.444 5.593 -7.113 1.00 0.00 C ATOM 1013 C ALA A 69 27.784 7.028 -6.715 1.00 0.00 C ATOM 1014 O ALA A 69 27.089 7.628 -5.896 1.00 0.00 O ATOM 1015 CB ALA A 69 28.043 4.599 -6.124 1.00 0.00 C ATOM 0 H ALA A 69 28.729 4.638 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 69 26.358 5.496 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 69 27.667 4.811 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.761 3.586 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.129 4.689 -6.130 1.00 0.00 H new ATOM 1021 N GLU A 70 28.852 7.578 -7.298 1.00 0.00 N ATOM 1022 CA GLU A 70 29.177 8.987 -7.130 1.00 0.00 C ATOM 1023 C GLU A 70 28.105 9.840 -7.805 1.00 0.00 C ATOM 1024 O GLU A 70 27.806 10.947 -7.354 1.00 0.00 O ATOM 1025 CB GLU A 70 30.555 9.266 -7.738 1.00 0.00 C ATOM 1026 CG GLU A 70 31.667 8.627 -6.901 1.00 0.00 C ATOM 1027 CD GLU A 70 31.943 9.395 -5.608 1.00 0.00 C ATOM 1028 OE1 GLU A 70 32.823 8.929 -4.847 1.00 0.00 O ATOM 1029 OE2 GLU A 70 31.278 10.432 -5.389 1.00 0.00 O ATOM 0 H GLU A 70 29.504 7.064 -7.890 1.00 0.00 H new ATOM 0 HA GLU A 70 29.205 9.239 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.592 8.877 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.717 10.342 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.390 7.601 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.581 8.579 -7.493 1.00 0.00 H new ATOM 1036 N ALA A 71 27.520 9.322 -8.891 1.00 0.00 N ATOM 1037 CA ALA A 71 26.450 10.008 -9.589 1.00 0.00 C ATOM 1038 C ALA A 71 25.119 9.805 -8.866 1.00 0.00 C ATOM 1039 O ALA A 71 24.240 10.660 -8.952 1.00 0.00 O ATOM 1040 CB ALA A 71 26.375 9.500 -11.031 1.00 0.00 C ATOM 0 H ALA A 71 27.778 8.424 -9.300 1.00 0.00 H new ATOM 0 HA ALA A 71 26.658 11.078 -9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.571 10.015 -11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.322 9.695 -11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.179 8.428 -11.029 1.00 0.00 H new ATOM 1046 N LEU A 72 24.951 8.685 -8.149 1.00 0.00 N ATOM 1047 CA LEU A 72 23.728 8.468 -7.384 1.00 0.00 C ATOM 1048 C LEU A 72 23.678 9.435 -6.205 1.00 0.00 C ATOM 1049 O LEU A 72 22.597 9.825 -5.774 1.00 0.00 O ATOM 1050 CB LEU A 72 23.630 7.019 -6.893 1.00 0.00 C ATOM 1051 CG LEU A 72 23.653 6.015 -8.047 1.00 0.00 C ATOM 1052 CD1 LEU A 72 23.269 4.639 -7.531 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.664 6.382 -9.147 1.00 0.00 C ATOM 0 H LEU A 72 25.636 7.932 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 72 22.876 8.655 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.458 6.810 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.710 6.892 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 72 24.663 6.025 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 72 23.286 3.924 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 72 23.978 4.327 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 22.267 4.677 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.716 5.641 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.655 6.403 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 72 22.914 7.365 -9.548 1.00 0.00 H new ATOM 1065 N ALA A 73 24.848 9.826 -5.689 1.00 0.00 N ATOM 1066 CA ALA A 73 24.925 10.814 -4.626 1.00 0.00 C ATOM 1067 C ALA A 73 24.606 12.208 -5.171 1.00 0.00 C ATOM 1068 O ALA A 73 24.073 13.043 -4.444 1.00 0.00 O ATOM 1069 CB ALA A 73 26.324 10.775 -4.016 1.00 0.00 C ATOM 0 H ALA A 73 25.752 9.468 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 73 24.190 10.584 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 73 26.393 11.513 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.517 9.782 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 73 27.063 11.003 -4.785 1.00 0.00 H new ATOM 1075 N ALA A 74 24.928 12.459 -6.444 1.00 0.00 N ATOM 1076 CA ALA A 74 24.614 13.727 -7.090 1.00 0.00 C ATOM 1077 C ALA A 74 23.142 13.784 -7.514 1.00 0.00 C ATOM 1078 O ALA A 74 22.536 14.854 -7.517 1.00 0.00 O ATOM 1079 CB ALA A 74 25.526 13.893 -8.306 1.00 0.00 C ATOM 0 H ALA A 74 25.409 11.792 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 74 24.781 14.541 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.304 14.838 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.567 13.889 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.358 13.071 -9.002 1.00 0.00 H new ATOM 1085 N ARG A 75 22.572 12.624 -7.866 1.00 0.00 N ATOM 1086 CA ARG A 75 21.171 12.506 -8.254 1.00 0.00 C ATOM 1087 C ARG A 75 20.276 12.315 -7.031 1.00 0.00 C ATOM 1088 O ARG A 75 19.056 12.241 -7.164 1.00 0.00 O ATOM 1089 CB ARG A 75 21.013 11.331 -9.225 1.00 0.00 C ATOM 1090 CG ARG A 75 21.779 11.569 -10.528 1.00 0.00 C ATOM 1091 CD ARG A 75 21.988 10.233 -11.242 1.00 0.00 C ATOM 1092 NE ARG A 75 22.671 10.418 -12.530 1.00 0.00 N ATOM 1093 CZ ARG A 75 22.043 10.478 -13.710 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.716 10.387 -13.783 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.751 10.635 -14.825 1.00 0.00 N ATOM 0 H ARG A 75 23.078 11.739 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 75 20.862 13.428 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.373 10.417 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.956 11.181 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.225 12.254 -11.169 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.741 12.037 -10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.575 9.568 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.024 9.750 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 75 23.687 10.506 -12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.165 10.270 -12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.251 10.434 -14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.767 10.709 -14.778 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.278 10.681 -15.727 1.00 0.00 H new ATOM 1109 N ASP A 76 20.886 12.232 -5.843 1.00 0.00 N ATOM 1110 CA ASP A 76 20.190 12.021 -4.579 1.00 0.00 C ATOM 1111 C ASP A 76 19.365 10.723 -4.598 1.00 0.00 C ATOM 1112 O ASP A 76 18.397 10.578 -3.853 1.00 0.00 O ATOM 1113 CB ASP A 76 19.362 13.261 -4.225 1.00 0.00 C ATOM 1114 CG ASP A 76 18.704 13.158 -2.848 1.00 0.00 C ATOM 1115 OD1 ASP A 76 19.275 12.464 -1.976 1.00 0.00 O ATOM 1116 OD2 ASP A 76 17.632 13.784 -2.683 1.00 0.00 O ATOM 0 H ASP A 76 21.897 12.312 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 76 20.924 11.886 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 76 20.004 14.141 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.591 13.406 -4.982 1.00 0.00 H new ATOM 1121 N ILE A 77 19.745 9.771 -5.459 1.00 0.00 N ATOM 1122 CA ILE A 77 19.088 8.473 -5.531 1.00 0.00 C ATOM 1123 C ILE A 77 19.668 7.551 -4.455 1.00 0.00 C ATOM 1124 O ILE A 77 20.884 7.531 -4.261 1.00 0.00 O ATOM 1125 CB ILE A 77 19.301 7.862 -6.924 1.00 0.00 C ATOM 1126 CG1 ILE A 77 18.883 8.871 -8.000 1.00 0.00 C ATOM 1127 CG2 ILE A 77 18.502 6.562 -7.062 1.00 0.00 C ATOM 1128 CD1 ILE A 77 19.057 8.296 -9.409 1.00 0.00 C ATOM 0 H ILE A 77 20.514 9.884 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 77 18.018 8.593 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 77 20.357 7.627 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.842 9.155 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.479 9.778 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.662 6.140 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.833 5.849 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 77 17.441 6.771 -6.924 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.751 9.039 -10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.103 8.036 -9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.441 7.403 -9.516 1.00 0.00 H new ATOM 1140 N PRO A 78 18.823 6.787 -3.747 1.00 0.00 N ATOM 1141 CA PRO A 78 19.264 5.798 -2.779 1.00 0.00 C ATOM 1142 C PRO A 78 20.122 4.726 -3.451 1.00 0.00 C ATOM 1143 O PRO A 78 19.904 4.386 -4.612 1.00 0.00 O ATOM 1144 CB PRO A 78 17.989 5.188 -2.190 1.00 0.00 C ATOM 1145 CG PRO A 78 16.876 6.180 -2.545 1.00 0.00 C ATOM 1146 CD PRO A 78 17.377 6.842 -3.821 1.00 0.00 C ATOM 0 HA PRO A 78 19.883 6.248 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.790 4.203 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.074 5.060 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.924 5.674 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.721 6.909 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.010 6.319 -4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.027 7.872 -3.892 1.00 0.00 H new ATOM 1154 N PHE A 79 21.102 4.188 -2.720 1.00 0.00 N ATOM 1155 CA PHE A 79 21.988 3.177 -3.269 1.00 0.00 C ATOM 1156 C PHE A 79 22.497 2.235 -2.182 1.00 0.00 C ATOM 1157 O PHE A 79 22.593 2.620 -1.016 1.00 0.00 O ATOM 1158 CB PHE A 79 23.155 3.854 -4.004 1.00 0.00 C ATOM 1159 CG PHE A 79 23.991 4.762 -3.132 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.775 6.146 -3.146 1.00 0.00 C ATOM 1161 CD2 PHE A 79 24.992 4.219 -2.313 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.558 6.988 -2.346 1.00 0.00 C ATOM 1163 CE2 PHE A 79 25.776 5.058 -1.513 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.558 6.444 -1.527 1.00 0.00 C ATOM 0 H PHE A 79 21.296 4.439 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 79 21.426 2.573 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.798 3.084 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.758 4.433 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 79 23.003 6.565 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.158 3.152 -2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 79 24.392 8.055 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 79 26.548 4.639 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.160 7.092 -0.907 1.00 0.00 H new ATOM 1174 N VAL A 80 22.826 1.000 -2.573 1.00 0.00 N ATOM 1175 CA VAL A 80 23.448 0.025 -1.687 1.00 0.00 C ATOM 1176 C VAL A 80 24.679 -0.553 -2.369 1.00 0.00 C ATOM 1177 O VAL A 80 24.684 -0.731 -3.584 1.00 0.00 O ATOM 1178 CB VAL A 80 22.469 -1.104 -1.331 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.118 -2.083 -0.353 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.211 -0.583 -0.662 1.00 0.00 C ATOM 0 H VAL A 80 22.666 0.652 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 80 23.734 0.525 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 80 22.211 -1.589 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.412 -2.877 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.008 -2.516 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.397 -1.555 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.550 -1.418 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.477 -0.063 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.701 0.107 -1.334 1.00 0.00 H new ATOM 1190 N PHE A 81 25.721 -0.851 -1.595 1.00 0.00 N ATOM 1191 CA PHE A 81 26.882 -1.545 -2.117 1.00 0.00 C ATOM 1192 C PHE A 81 26.806 -3.059 -1.971 1.00 0.00 C ATOM 1193 O PHE A 81 26.079 -3.568 -1.122 1.00 0.00 O ATOM 1194 CB PHE A 81 28.178 -0.959 -1.560 1.00 0.00 C ATOM 1195 CG PHE A 81 28.599 0.313 -2.260 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.156 1.558 -1.786 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.428 0.243 -3.389 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.557 2.735 -2.435 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.841 1.422 -4.026 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.407 2.667 -3.550 1.00 0.00 C ATOM 0 H PHE A 81 25.779 -0.619 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 81 26.885 -1.372 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.052 -0.757 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 81 28.974 -1.698 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.508 1.609 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.748 -0.717 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.212 3.694 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.494 1.371 -4.884 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.727 3.574 -4.041 1.00 0.00 H new ATOM 1210 N ALA A 82 27.560 -3.786 -2.796 1.00 0.00 N ATOM 1211 CA ALA A 82 27.662 -5.228 -2.676 1.00 0.00 C ATOM 1212 C ALA A 82 29.129 -5.612 -2.519 1.00 0.00 C ATOM 1213 O ALA A 82 29.997 -5.056 -3.195 1.00 0.00 O ATOM 1214 CB ALA A 82 27.005 -5.911 -3.877 1.00 0.00 C ATOM 0 H ALA A 82 28.110 -3.390 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 82 27.127 -5.570 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.090 -6.993 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.952 -5.633 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.504 -5.595 -4.793 1.00 0.00 H new ATOM 1220 N THR A 83 29.401 -6.566 -1.629 1.00 0.00 N ATOM 1221 CA THR A 83 30.761 -6.969 -1.290 1.00 0.00 C ATOM 1222 C THR A 83 30.814 -8.479 -1.075 1.00 0.00 C ATOM 1223 O THR A 83 29.793 -9.164 -1.154 1.00 0.00 O ATOM 1224 CB THR A 83 31.212 -6.231 -0.023 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.322 -6.493 1.034 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.269 -4.723 -0.259 1.00 0.00 C ATOM 0 H THR A 83 28.681 -7.081 -1.123 1.00 0.00 H new ATOM 0 HA THR A 83 31.434 -6.711 -2.108 1.00 0.00 H new ATOM 0 HB THR A 83 32.209 -6.590 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.620 -6.018 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.591 -4.224 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 83 31.976 -4.507 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.280 -4.361 -0.541 1.00 0.00 H new ATOM 1234 N GLY A 84 32.013 -9.003 -0.807 1.00 0.00 N ATOM 1235 CA GLY A 84 32.223 -10.428 -0.608 1.00 0.00 C ATOM 1236 C GLY A 84 33.442 -10.676 0.276 1.00 0.00 C ATOM 1237 O GLY A 84 33.829 -9.806 1.054 1.00 0.00 O ATOM 0 H GLY A 84 32.863 -8.445 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.339 -10.870 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.361 -10.918 -1.572 1.00 0.00 H new ATOM 1241 N GLY A 85 34.045 -11.862 0.150 1.00 0.00 N ATOM 1242 CA GLY A 85 35.207 -12.235 0.944 1.00 0.00 C ATOM 1243 C GLY A 85 36.462 -11.485 0.495 1.00 0.00 C ATOM 1244 O GLY A 85 37.461 -11.483 1.209 1.00 0.00 O ATOM 0 H GLY A 85 33.739 -12.583 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.013 -12.023 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.375 -13.309 0.861 1.00 0.00 H new ATOM 1248 N SER A 86 36.412 -10.847 -0.680 1.00 0.00 N ATOM 1249 CA SER A 86 37.522 -10.048 -1.193 1.00 0.00 C ATOM 1250 C SER A 86 37.008 -8.807 -1.922 1.00 0.00 C ATOM 1251 O SER A 86 37.787 -7.902 -2.218 1.00 0.00 O ATOM 1252 CB SER A 86 38.381 -10.893 -2.133 1.00 0.00 C ATOM 1253 OG SER A 86 39.006 -11.940 -1.421 1.00 0.00 O ATOM 0 H SER A 86 35.601 -10.872 -1.298 1.00 0.00 H new ATOM 0 HA SER A 86 38.130 -9.720 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 86 37.762 -11.305 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.136 -10.266 -2.608 1.00 0.00 H new ATOM 0 HG SER A 86 39.551 -12.474 -2.036 1.00 0.00 H new ATOM 1259 N ASP A 87 35.704 -8.759 -2.212 1.00 0.00 N ATOM 1260 CA ASP A 87 35.079 -7.616 -2.859 1.00 0.00 C ATOM 1261 C ASP A 87 34.695 -6.524 -1.861 1.00 0.00 C ATOM 1262 O ASP A 87 34.043 -5.549 -2.222 1.00 0.00 O ATOM 1263 CB ASP A 87 33.873 -8.072 -3.689 1.00 0.00 C ATOM 1264 CG ASP A 87 34.282 -8.946 -4.877 1.00 0.00 C ATOM 1265 OD1 ASP A 87 35.476 -8.899 -5.256 1.00 0.00 O ATOM 1266 OD2 ASP A 87 33.392 -9.656 -5.397 1.00 0.00 O ATOM 0 H ASP A 87 35.056 -9.518 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 87 35.813 -7.171 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.185 -8.628 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 87 33.334 -7.197 -4.053 1.00 0.00 H new ATOM 1271 N ASP A 88 35.095 -6.685 -0.595 1.00 0.00 N ATOM 1272 CA ASP A 88 34.787 -5.731 0.458 1.00 0.00 C ATOM 1273 C ASP A 88 35.743 -4.532 0.464 1.00 0.00 C ATOM 1274 O ASP A 88 35.851 -3.825 1.466 1.00 0.00 O ATOM 1275 CB ASP A 88 34.730 -6.431 1.825 1.00 0.00 C ATOM 1276 CG ASP A 88 35.999 -7.224 2.148 1.00 0.00 C ATOM 1277 OD1 ASP A 88 36.007 -7.858 3.227 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.947 -7.193 1.330 1.00 0.00 O ATOM 0 H ASP A 88 35.643 -7.485 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 88 33.798 -5.323 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.568 -5.684 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.873 -7.104 1.846 1.00 0.00 H new ATOM 1283 N SER A 89 36.437 -4.303 -0.660 1.00 0.00 N ATOM 1284 CA SER A 89 37.388 -3.206 -0.812 1.00 0.00 C ATOM 1285 C SER A 89 36.682 -1.866 -1.025 1.00 0.00 C ATOM 1286 O SER A 89 37.225 -0.977 -1.684 1.00 0.00 O ATOM 1287 CB SER A 89 38.344 -3.509 -1.968 1.00 0.00 C ATOM 1288 OG SER A 89 39.132 -4.637 -1.648 1.00 0.00 O ATOM 0 H SER A 89 36.349 -4.883 -1.494 1.00 0.00 H new ATOM 0 HA SER A 89 37.959 -3.120 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 89 37.779 -3.695 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 89 38.984 -2.648 -2.159 1.00 0.00 H new ATOM 0 HG SER A 89 39.742 -4.831 -2.390 1.00 0.00 H new ATOM 1294 N VAL A 90 35.473 -1.713 -0.477 1.00 0.00 N ATOM 1295 CA VAL A 90 34.697 -0.485 -0.609 1.00 0.00 C ATOM 1296 C VAL A 90 35.421 0.684 0.055 1.00 0.00 C ATOM 1297 O VAL A 90 36.139 0.502 1.041 1.00 0.00 O ATOM 1298 CB VAL A 90 33.290 -0.690 -0.029 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.343 -0.963 1.473 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.419 0.542 -0.268 1.00 0.00 C ATOM 0 H VAL A 90 35.009 -2.438 0.069 1.00 0.00 H new ATOM 0 HA VAL A 90 34.592 -0.239 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 90 32.859 -1.552 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.331 -1.104 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.929 -1.863 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.807 -0.117 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.427 0.373 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.874 1.408 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.334 0.725 -1.339 1.00 0.00 H new ATOM 1310 N ASP A 91 35.236 1.888 -0.491 1.00 0.00 N ATOM 1311 CA ASP A 91 35.899 3.086 0.008 1.00 0.00 C ATOM 1312 C ASP A 91 35.224 3.517 1.313 1.00 0.00 C ATOM 1313 O ASP A 91 34.037 3.269 1.514 1.00 0.00 O ATOM 1314 CB ASP A 91 35.764 4.190 -1.043 1.00 0.00 C ATOM 1315 CG ASP A 91 36.669 5.390 -0.752 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.512 5.275 0.164 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.504 6.411 -1.454 1.00 0.00 O ATOM 0 H ASP A 91 34.623 2.056 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 91 36.955 2.892 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.008 3.784 -2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.727 4.523 -1.085 1.00 0.00 H new ATOM 1322 N SER A 92 35.978 4.170 2.202 1.00 0.00 N ATOM 1323 CA SER A 92 35.439 4.665 3.465 1.00 0.00 C ATOM 1324 C SER A 92 34.397 5.758 3.220 1.00 0.00 C ATOM 1325 O SER A 92 33.617 6.087 4.114 1.00 0.00 O ATOM 1326 CB SER A 92 36.588 5.168 4.338 1.00 0.00 C ATOM 1327 OG SER A 92 36.088 5.746 5.526 1.00 0.00 O ATOM 0 H SER A 92 36.969 4.367 2.066 1.00 0.00 H new ATOM 0 HA SER A 92 34.932 3.854 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 92 37.257 4.342 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.176 5.903 3.788 1.00 0.00 H new ATOM 0 HG SER A 92 36.835 6.062 6.076 1.00 0.00 H new ATOM 1333 N ARG A 93 34.383 6.324 2.005 1.00 0.00 N ATOM 1334 CA ARG A 93 33.379 7.300 1.603 1.00 0.00 C ATOM 1335 C ARG A 93 31.989 6.662 1.574 1.00 0.00 C ATOM 1336 O ARG A 93 30.981 7.368 1.566 1.00 0.00 O ATOM 1337 CB ARG A 93 33.765 7.848 0.221 1.00 0.00 C ATOM 1338 CG ARG A 93 32.753 8.874 -0.291 1.00 0.00 C ATOM 1339 CD ARG A 93 33.229 9.466 -1.619 1.00 0.00 C ATOM 1340 NE ARG A 93 34.492 10.196 -1.454 1.00 0.00 N ATOM 1341 CZ ARG A 93 35.359 10.413 -2.447 1.00 0.00 C ATOM 1342 NH1 ARG A 93 35.100 9.994 -3.680 1.00 0.00 N ATOM 1343 NH2 ARG A 93 36.499 11.056 -2.201 1.00 0.00 N ATOM 0 H ARG A 93 35.069 6.114 1.280 1.00 0.00 H new ATOM 0 HA ARG A 93 33.343 8.118 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.752 8.308 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 93 33.837 7.024 -0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 93 31.780 8.401 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.625 9.668 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 93 33.360 8.668 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 93 32.467 10.138 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 93 34.721 10.558 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.230 9.500 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 93 35.771 10.166 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 93 36.708 11.381 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 93 37.163 11.223 -2.957 1.00 0.00 H new ATOM 1357 N PHE A 94 31.936 5.326 1.560 1.00 0.00 N ATOM 1358 CA PHE A 94 30.684 4.592 1.470 1.00 0.00 C ATOM 1359 C PHE A 94 30.563 3.544 2.577 1.00 0.00 C ATOM 1360 O PHE A 94 29.623 2.752 2.573 1.00 0.00 O ATOM 1361 CB PHE A 94 30.572 3.957 0.087 1.00 0.00 C ATOM 1362 CG PHE A 94 30.627 4.963 -1.040 1.00 0.00 C ATOM 1363 CD1 PHE A 94 31.764 5.038 -1.855 1.00 0.00 C ATOM 1364 CD2 PHE A 94 29.544 5.821 -1.270 1.00 0.00 C ATOM 1365 CE1 PHE A 94 31.820 5.974 -2.898 1.00 0.00 C ATOM 1366 CE2 PHE A 94 29.596 6.752 -2.317 1.00 0.00 C ATOM 1367 CZ PHE A 94 30.733 6.829 -3.129 1.00 0.00 C ATOM 0 H PHE A 94 32.762 4.730 1.611 1.00 0.00 H new ATOM 0 HA PHE A 94 29.857 5.288 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.379 3.235 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.636 3.403 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 94 32.598 4.375 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 94 28.668 5.765 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 94 32.699 6.036 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 94 28.758 7.410 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 94 30.773 7.548 -3.934 1.00 0.00 H new ATOM 1377 N ARG A 95 31.505 3.529 3.525 1.00 0.00 N ATOM 1378 CA ARG A 95 31.466 2.602 4.648 1.00 0.00 C ATOM 1379 C ARG A 95 30.345 2.958 5.624 1.00 0.00 C ATOM 1380 O ARG A 95 29.932 2.116 6.419 1.00 0.00 O ATOM 1381 CB ARG A 95 32.827 2.603 5.352 1.00 0.00 C ATOM 1382 CG ARG A 95 33.822 1.664 4.655 1.00 0.00 C ATOM 1383 CD ARG A 95 33.423 0.195 4.824 1.00 0.00 C ATOM 1384 NE ARG A 95 33.358 -0.183 6.245 1.00 0.00 N ATOM 1385 CZ ARG A 95 32.320 -0.806 6.815 1.00 0.00 C ATOM 1386 NH1 ARG A 95 31.253 -1.148 6.097 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.349 -1.088 8.113 1.00 0.00 N ATOM 0 H ARG A 95 32.309 4.157 3.531 1.00 0.00 H new ATOM 0 HA ARG A 95 31.257 1.601 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 95 33.230 3.616 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.701 2.296 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.872 1.908 3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 95 34.820 1.820 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 95 32.454 0.023 4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.143 -0.441 4.309 1.00 0.00 H new ATOM 0 HE ARG A 95 34.158 0.045 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 95 31.220 -0.936 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 95 30.468 -1.623 6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 95 33.161 -0.830 8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.559 -1.563 8.550 1.00 0.00 H new ATOM 1401 N ASP A 96 29.852 4.200 5.570 1.00 0.00 N ATOM 1402 CA ASP A 96 28.709 4.621 6.364 1.00 0.00 C ATOM 1403 C ASP A 96 27.385 4.214 5.715 1.00 0.00 C ATOM 1404 O ASP A 96 26.373 4.059 6.393 1.00 0.00 O ATOM 1405 CB ASP A 96 28.771 6.135 6.580 1.00 0.00 C ATOM 1406 CG ASP A 96 27.468 6.672 7.163 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.864 7.546 6.498 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.092 6.206 8.260 1.00 0.00 O ATOM 0 H ASP A 96 30.237 4.934 4.975 1.00 0.00 H new ATOM 0 HA ASP A 96 28.754 4.116 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 96 29.596 6.374 7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 96 28.977 6.630 5.631 1.00 0.00 H new ATOM 1413 N ARG A 97 27.404 4.042 4.389 1.00 0.00 N ATOM 1414 CA ARG A 97 26.239 3.651 3.608 1.00 0.00 C ATOM 1415 C ARG A 97 26.009 2.145 3.764 1.00 0.00 C ATOM 1416 O ARG A 97 26.932 1.417 4.125 1.00 0.00 O ATOM 1417 CB ARG A 97 26.482 4.030 2.143 1.00 0.00 C ATOM 1418 CG ARG A 97 26.790 5.524 1.972 1.00 0.00 C ATOM 1419 CD ARG A 97 25.578 6.402 2.300 1.00 0.00 C ATOM 1420 NE ARG A 97 25.442 6.625 3.749 1.00 0.00 N ATOM 1421 CZ ARG A 97 24.280 6.593 4.407 1.00 0.00 C ATOM 1422 NH1 ARG A 97 23.143 6.328 3.771 1.00 0.00 N ATOM 1423 NH2 ARG A 97 24.256 6.823 5.716 1.00 0.00 N ATOM 0 H ARG A 97 28.244 4.174 3.826 1.00 0.00 H new ATOM 0 HA ARG A 97 25.346 4.168 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.312 3.443 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.603 3.773 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 97 27.622 5.799 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 97 27.108 5.713 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.676 7.361 1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 97 24.673 5.930 1.918 1.00 0.00 H new ATOM 0 HE ARG A 97 26.289 6.816 4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 97 23.151 6.146 2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.263 6.307 4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 97 25.123 7.023 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 97 23.371 6.799 6.222 1.00 0.00 H new ATOM 1437 N PRO A 98 24.787 1.662 3.498 1.00 0.00 N ATOM 1438 CA PRO A 98 24.451 0.257 3.641 1.00 0.00 C ATOM 1439 C PRO A 98 25.196 -0.582 2.609 1.00 0.00 C ATOM 1440 O PRO A 98 25.550 -0.094 1.534 1.00 0.00 O ATOM 1441 CB PRO A 98 22.942 0.167 3.443 1.00 0.00 C ATOM 1442 CG PRO A 98 22.603 1.402 2.612 1.00 0.00 C ATOM 1443 CD PRO A 98 23.644 2.430 3.041 1.00 0.00 C ATOM 0 HA PRO A 98 24.742 -0.130 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.661 -0.751 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.414 0.170 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.664 1.194 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.590 1.752 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.916 3.082 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.259 3.070 3.835 1.00 0.00 H new ATOM 1451 N VAL A 99 25.426 -1.855 2.938 1.00 0.00 N ATOM 1452 CA VAL A 99 26.135 -2.766 2.057 1.00 0.00 C ATOM 1453 C VAL A 99 25.675 -4.195 2.302 1.00 0.00 C ATOM 1454 O VAL A 99 25.660 -4.674 3.437 1.00 0.00 O ATOM 1455 CB VAL A 99 27.648 -2.617 2.282 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.040 -2.809 3.749 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.420 -3.640 1.449 1.00 0.00 C ATOM 0 H VAL A 99 25.126 -2.275 3.818 1.00 0.00 H new ATOM 0 HA VAL A 99 25.915 -2.521 1.018 1.00 0.00 H new ATOM 0 HB VAL A 99 27.902 -1.602 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.119 -2.694 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.533 -2.063 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.748 -3.807 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.489 -3.518 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.118 -4.647 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.204 -3.486 0.392 1.00 0.00 H new ATOM 1467 N LEU A 100 25.303 -4.872 1.217 1.00 0.00 N ATOM 1468 CA LEU A 100 25.055 -6.304 1.230 1.00 0.00 C ATOM 1469 C LEU A 100 26.371 -7.024 0.949 1.00 0.00 C ATOM 1470 O LEU A 100 27.255 -6.459 0.310 1.00 0.00 O ATOM 1471 CB LEU A 100 24.000 -6.651 0.178 1.00 0.00 C ATOM 1472 CG LEU A 100 22.641 -6.020 0.497 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.674 -6.290 -0.652 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.060 -6.625 1.774 1.00 0.00 C ATOM 0 H LEU A 100 25.166 -4.438 0.304 1.00 0.00 H new ATOM 0 HA LEU A 100 24.676 -6.620 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.338 -6.309 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.891 -7.734 0.117 1.00 0.00 H new ATOM 0 HG LEU A 100 22.779 -4.947 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.707 -5.842 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.070 -5.856 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.554 -7.366 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.094 -6.166 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.930 -7.699 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.740 -6.442 2.606 1.00 0.00 H new ATOM 1486 N GLN A 101 26.517 -8.263 1.421 1.00 0.00 N ATOM 1487 CA GLN A 101 27.787 -8.970 1.328 1.00 0.00 C ATOM 1488 C GLN A 101 27.547 -10.437 0.948 1.00 0.00 C ATOM 1489 O GLN A 101 27.019 -10.716 -0.129 1.00 0.00 O ATOM 1490 CB GLN A 101 28.550 -8.792 2.651 1.00 0.00 C ATOM 1491 CG GLN A 101 30.014 -9.224 2.523 1.00 0.00 C ATOM 1492 CD GLN A 101 30.843 -8.719 3.695 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.308 -8.370 4.744 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.162 -8.676 3.526 1.00 0.00 N ATOM 0 H GLN A 101 25.771 -8.794 1.870 1.00 0.00 H new ATOM 0 HA GLN A 101 28.410 -8.554 0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.504 -7.748 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.065 -9.377 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.072 -10.311 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.428 -8.842 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.573 -8.974 2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.762 -8.345 4.281 1.00 0.00 H new ATOM 1503 N LYS A 102 27.931 -11.366 1.831 1.00 0.00 N ATOM 1504 CA LYS A 102 27.694 -12.795 1.660 1.00 0.00 C ATOM 1505 C LYS A 102 26.197 -13.067 1.471 1.00 0.00 C ATOM 1506 O LYS A 102 25.380 -12.189 1.741 1.00 0.00 O ATOM 1507 CB LYS A 102 28.299 -13.555 2.853 1.00 0.00 C ATOM 1508 CG LYS A 102 27.962 -12.939 4.221 1.00 0.00 C ATOM 1509 CD LYS A 102 26.475 -13.069 4.577 1.00 0.00 C ATOM 1510 CE LYS A 102 26.235 -12.670 6.035 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.952 -13.559 6.969 1.00 0.00 N ATOM 0 H LYS A 102 28.422 -11.138 2.695 1.00 0.00 H new ATOM 0 HA LYS A 102 28.187 -13.157 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.944 -14.585 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.382 -13.589 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.560 -13.426 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.241 -11.885 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.881 -12.436 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.145 -14.095 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.561 -11.641 6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.167 -12.702 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.499 -13.517 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 26.921 -14.535 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.942 -13.252 7.050 1.00 0.00 H new ATOM 1525 N PRO A 103 25.823 -14.270 1.005 1.00 0.00 N ATOM 1526 CA PRO A 103 24.438 -14.632 0.778 1.00 0.00 C ATOM 1527 C PRO A 103 23.560 -14.239 1.966 1.00 0.00 C ATOM 1528 O PRO A 103 23.922 -14.467 3.120 1.00 0.00 O ATOM 1529 CB PRO A 103 24.446 -16.138 0.529 1.00 0.00 C ATOM 1530 CG PRO A 103 25.838 -16.394 -0.053 1.00 0.00 C ATOM 1531 CD PRO A 103 26.714 -15.359 0.654 1.00 0.00 C ATOM 0 HA PRO A 103 24.011 -14.102 -0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.286 -16.698 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.660 -16.435 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.176 -17.411 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.852 -16.261 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.183 -15.783 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.517 -15.014 0.003 1.00 0.00 H new ATOM 1539 N PHE A 104 22.406 -13.643 1.668 1.00 0.00 N ATOM 1540 CA PHE A 104 21.541 -13.019 2.660 1.00 0.00 C ATOM 1541 C PHE A 104 20.110 -13.542 2.677 1.00 0.00 C ATOM 1542 O PHE A 104 19.610 -14.032 1.665 1.00 0.00 O ATOM 1543 CB PHE A 104 21.611 -11.497 2.531 1.00 0.00 C ATOM 1544 CG PHE A 104 21.816 -11.037 1.103 1.00 0.00 C ATOM 1545 CD1 PHE A 104 23.059 -10.521 0.707 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.775 -11.141 0.172 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.264 -10.127 -0.622 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.978 -10.743 -1.157 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.222 -10.238 -1.555 1.00 0.00 C ATOM 0 H PHE A 104 22.044 -13.581 0.717 1.00 0.00 H new ATOM 0 HA PHE A 104 21.929 -13.309 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.690 -11.061 2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.427 -11.122 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.859 -10.427 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.814 -11.528 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.224 -9.738 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.175 -10.826 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.379 -9.934 -2.579 1.00 0.00 H new ATOM 1559 N THR A 105 19.450 -13.434 3.832 1.00 0.00 N ATOM 1560 CA THR A 105 18.059 -13.838 3.989 1.00 0.00 C ATOM 1561 C THR A 105 17.088 -12.768 3.507 1.00 0.00 C ATOM 1562 O THR A 105 17.500 -11.675 3.111 1.00 0.00 O ATOM 1563 CB THR A 105 17.764 -14.253 5.436 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.469 -13.105 6.203 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.945 -14.988 6.065 1.00 0.00 C ATOM 0 H THR A 105 19.870 -13.063 4.684 1.00 0.00 H new ATOM 0 HA THR A 105 17.906 -14.709 3.352 1.00 0.00 H new ATOM 0 HB THR A 105 16.911 -14.932 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.279 -13.369 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.697 -15.265 7.090 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.163 -15.887 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.819 -14.337 6.067 1.00 0.00 H new ATOM 1573 N MET A 106 15.789 -13.082 3.544 1.00 0.00 N ATOM 1574 CA MET A 106 14.753 -12.138 3.161 1.00 0.00 C ATOM 1575 C MET A 106 14.777 -10.927 4.101 1.00 0.00 C ATOM 1576 O MET A 106 14.380 -9.829 3.713 1.00 0.00 O ATOM 1577 CB MET A 106 13.402 -12.857 3.226 1.00 0.00 C ATOM 1578 CG MET A 106 12.217 -11.952 2.867 1.00 0.00 C ATOM 1579 SD MET A 106 11.971 -11.644 1.096 1.00 0.00 S ATOM 1580 CE MET A 106 13.122 -10.269 0.836 1.00 0.00 C ATOM 0 H MET A 106 15.436 -13.992 3.839 1.00 0.00 H new ATOM 0 HA MET A 106 14.922 -11.775 2.147 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.418 -13.709 2.547 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.257 -13.253 4.231 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.308 -12.398 3.269 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.350 -10.994 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.952 -9.833 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.961 -9.510 1.601 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.147 -10.635 0.899 1.00 0.00 H new ATOM 1590 N ASP A 107 15.244 -11.128 5.335 1.00 0.00 N ATOM 1591 CA ASP A 107 15.327 -10.063 6.322 1.00 0.00 C ATOM 1592 C ASP A 107 16.615 -9.266 6.097 1.00 0.00 C ATOM 1593 O ASP A 107 16.701 -8.099 6.469 1.00 0.00 O ATOM 1594 CB ASP A 107 15.346 -10.699 7.715 1.00 0.00 C ATOM 1595 CG ASP A 107 15.176 -9.666 8.828 1.00 0.00 C ATOM 1596 OD1 ASP A 107 14.657 -8.566 8.536 1.00 0.00 O ATOM 1597 OD2 ASP A 107 15.571 -9.992 9.969 1.00 0.00 O ATOM 0 H ASP A 107 15.573 -12.033 5.672 1.00 0.00 H new ATOM 0 HA ASP A 107 14.474 -9.391 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.549 -11.439 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.287 -11.230 7.856 1.00 0.00 H new ATOM 1602 N GLY A 108 17.625 -9.893 5.489 1.00 0.00 N ATOM 1603 CA GLY A 108 18.919 -9.265 5.286 1.00 0.00 C ATOM 1604 C GLY A 108 18.847 -8.160 4.237 1.00 0.00 C ATOM 1605 O GLY A 108 19.478 -7.115 4.395 1.00 0.00 O ATOM 0 H GLY A 108 17.563 -10.845 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.275 -8.850 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.644 -10.017 4.975 1.00 0.00 H new ATOM 1609 N VAL A 109 18.071 -8.375 3.169 1.00 0.00 N ATOM 1610 CA VAL A 109 17.881 -7.351 2.150 1.00 0.00 C ATOM 1611 C VAL A 109 16.902 -6.287 2.630 1.00 0.00 C ATOM 1612 O VAL A 109 17.004 -5.130 2.230 1.00 0.00 O ATOM 1613 CB VAL A 109 17.415 -7.984 0.836 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.320 -9.149 0.453 1.00 0.00 C ATOM 1615 CG2 VAL A 109 15.978 -8.485 0.957 1.00 0.00 C ATOM 0 H VAL A 109 17.569 -9.245 2.993 1.00 0.00 H new ATOM 0 HA VAL A 109 18.838 -6.862 1.967 1.00 0.00 H new ATOM 0 HB VAL A 109 17.464 -7.218 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.973 -9.586 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.342 -8.791 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.293 -9.904 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.667 -8.931 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.919 -9.233 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.320 -7.650 1.197 1.00 0.00 H new ATOM 1625 N ALA A 110 15.956 -6.673 3.492 1.00 0.00 N ATOM 1626 CA ALA A 110 15.008 -5.727 4.056 1.00 0.00 C ATOM 1627 C ALA A 110 15.731 -4.796 5.032 1.00 0.00 C ATOM 1628 O ALA A 110 15.291 -3.670 5.260 1.00 0.00 O ATOM 1629 CB ALA A 110 13.897 -6.494 4.767 1.00 0.00 C ATOM 0 H ALA A 110 15.832 -7.634 3.810 1.00 0.00 H new ATOM 0 HA ALA A 110 14.568 -5.122 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.183 -5.789 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.387 -7.141 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.326 -7.101 5.564 1.00 0.00 H new ATOM 1635 N LYS A 111 16.843 -5.267 5.604 1.00 0.00 N ATOM 1636 CA LYS A 111 17.646 -4.483 6.528 1.00 0.00 C ATOM 1637 C LYS A 111 18.383 -3.378 5.777 1.00 0.00 C ATOM 1638 O LYS A 111 18.493 -2.258 6.273 1.00 0.00 O ATOM 1639 CB LYS A 111 18.638 -5.427 7.209 1.00 0.00 C ATOM 1640 CG LYS A 111 19.422 -4.706 8.304 1.00 0.00 C ATOM 1641 CD LYS A 111 20.426 -5.684 8.911 1.00 0.00 C ATOM 1642 CE LYS A 111 21.051 -5.100 10.177 1.00 0.00 C ATOM 1643 NZ LYS A 111 21.800 -3.859 9.888 1.00 0.00 N ATOM 0 H LYS A 111 17.207 -6.205 5.435 1.00 0.00 H new ATOM 0 HA LYS A 111 17.011 -4.009 7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.102 -6.274 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.329 -5.829 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.940 -3.841 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.744 -4.335 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 111 19.928 -6.625 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.207 -5.909 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.269 -4.893 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 111 21.720 -5.834 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.295 -3.544 10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 22.494 -4.040 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.139 -3.118 9.579 1.00 0.00 H new ATOM 1657 N ALA A 112 18.887 -3.689 4.581 1.00 0.00 N ATOM 1658 CA ALA A 112 19.617 -2.722 3.776 1.00 0.00 C ATOM 1659 C ALA A 112 18.662 -1.706 3.149 1.00 0.00 C ATOM 1660 O ALA A 112 18.987 -0.521 3.071 1.00 0.00 O ATOM 1661 CB ALA A 112 20.393 -3.467 2.689 1.00 0.00 C ATOM 0 H ALA A 112 18.799 -4.610 4.151 1.00 0.00 H new ATOM 0 HA ALA A 112 20.312 -2.175 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.944 -2.751 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.092 -4.162 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.696 -4.020 2.059 1.00 0.00 H new ATOM 1667 N LEU A 113 17.488 -2.160 2.706 1.00 0.00 N ATOM 1668 CA LEU A 113 16.512 -1.271 2.092 1.00 0.00 C ATOM 1669 C LEU A 113 15.914 -0.332 3.141 1.00 0.00 C ATOM 1670 O LEU A 113 15.467 0.760 2.803 1.00 0.00 O ATOM 1671 CB LEU A 113 15.413 -2.099 1.424 1.00 0.00 C ATOM 1672 CG LEU A 113 15.940 -2.863 0.201 1.00 0.00 C ATOM 1673 CD1 LEU A 113 14.860 -3.827 -0.286 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.288 -1.902 -0.935 1.00 0.00 C ATOM 0 H LEU A 113 17.195 -3.135 2.763 1.00 0.00 H new ATOM 0 HA LEU A 113 17.008 -0.664 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.001 -2.806 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.598 -1.443 1.119 1.00 0.00 H new ATOM 0 HG LEU A 113 16.840 -3.405 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.226 -4.374 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.615 -4.531 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.967 -3.265 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 113 16.659 -2.468 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.397 -1.346 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.057 -1.206 -0.600 1.00 0.00 H new ATOM 1686 N ALA A 114 15.909 -0.748 4.410 1.00 0.00 N ATOM 1687 CA ALA A 114 15.460 0.103 5.500 1.00 0.00 C ATOM 1688 C ALA A 114 16.570 1.069 5.918 1.00 0.00 C ATOM 1689 O ALA A 114 16.292 2.115 6.501 1.00 0.00 O ATOM 1690 CB ALA A 114 15.036 -0.773 6.677 1.00 0.00 C ATOM 0 H ALA A 114 16.214 -1.676 4.703 1.00 0.00 H new ATOM 0 HA ALA A 114 14.608 0.697 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.698 -0.141 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.224 -1.430 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.883 -1.374 7.007 1.00 0.00 H new ATOM 1696 N ALA A 115 17.824 0.718 5.620 1.00 0.00 N ATOM 1697 CA ALA A 115 18.964 1.563 5.930 1.00 0.00 C ATOM 1698 C ALA A 115 19.099 2.695 4.906 1.00 0.00 C ATOM 1699 O ALA A 115 19.846 3.643 5.137 1.00 0.00 O ATOM 1700 CB ALA A 115 20.228 0.713 5.980 1.00 0.00 C ATOM 0 H ALA A 115 18.070 -0.158 5.159 1.00 0.00 H new ATOM 0 HA ALA A 115 18.812 2.024 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.084 1.347 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.122 -0.051 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.383 0.234 5.013 1.00 0.00 H new ATOM 1706 N LEU A 116 18.389 2.607 3.778 1.00 0.00 N ATOM 1707 CA LEU A 116 18.344 3.704 2.822 1.00 0.00 C ATOM 1708 C LEU A 116 17.697 4.943 3.449 1.00 0.00 C ATOM 1709 O LEU A 116 17.803 6.036 2.892 1.00 0.00 O ATOM 1710 CB LEU A 116 17.558 3.271 1.579 1.00 0.00 C ATOM 1711 CG LEU A 116 18.285 2.168 0.806 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.426 1.746 -0.384 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.633 2.667 0.289 1.00 0.00 C ATOM 0 H LEU A 116 17.842 1.789 3.510 1.00 0.00 H new ATOM 0 HA LEU A 116 19.364 3.960 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.571 2.917 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.404 4.131 0.928 1.00 0.00 H new ATOM 0 HG LEU A 116 18.455 1.325 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 116 17.936 0.960 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.467 1.373 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.261 2.604 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.132 1.867 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.476 3.517 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.254 2.974 1.130 1.00 0.00 H new