USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 889 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 Single : A 1 MET CE :methyl 166:sc= -0.0251 (180deg=-0.281) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0974 (180deg=-0.0633) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 18 MET CE :methyl -174:sc= -0.135 (180deg=-0.273) USER MOD Single : A 19 MET CE :methyl -158:sc= 0 (180deg=-1.04) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= 0.216 (180deg=-0.283) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.5) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0.664 (180deg=0.194) USER MOD Single : A 65 SER OG : rot -166:sc= 0.011 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -36:sc= 0.265 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.782 K(o=0.78,f=-4.3!) USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= 1.31 (180deg=1.15) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -111:sc= 0.101 (180deg=-0.247) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.938 0.278 -1.428 1.00 0.00 N ATOM 2 CA MET A 1 5.353 0.206 -1.014 1.00 0.00 C ATOM 3 C MET A 1 6.238 -0.206 -2.187 1.00 0.00 C ATOM 4 O MET A 1 5.737 -0.680 -3.207 1.00 0.00 O ATOM 5 CB MET A 1 5.539 -0.747 0.176 1.00 0.00 C ATOM 6 CG MET A 1 5.162 -2.190 -0.191 1.00 0.00 C ATOM 7 SD MET A 1 5.435 -3.392 1.139 1.00 0.00 S ATOM 8 CE MET A 1 4.243 -2.788 2.363 1.00 0.00 C ATOM 0 H1 MET A 1 3.344 -0.199 -0.720 1.00 0.00 H new ATOM 0 H2 MET A 1 3.650 1.274 -1.507 1.00 0.00 H new ATOM 0 H3 MET A 1 3.822 -0.190 -2.349 1.00 0.00 H new ATOM 0 HA MET A 1 5.658 1.201 -0.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.576 -0.715 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.925 -0.411 1.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.111 -2.217 -0.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.740 -2.494 -1.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.098 -3.545 3.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.622 -1.873 2.819 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.291 -2.582 1.873 1.00 0.00 H new ATOM 20 N SER A 2 7.554 -0.030 -2.037 1.00 0.00 N ATOM 21 CA SER A 2 8.543 -0.355 -3.060 1.00 0.00 C ATOM 22 C SER A 2 8.253 0.301 -4.412 1.00 0.00 C ATOM 23 O SER A 2 8.709 -0.186 -5.445 1.00 0.00 O ATOM 24 CB SER A 2 8.705 -1.872 -3.172 1.00 0.00 C ATOM 25 OG SER A 2 9.036 -2.414 -1.909 1.00 0.00 O ATOM 0 H SER A 2 7.966 0.349 -1.184 1.00 0.00 H new ATOM 0 HA SER A 2 9.494 0.070 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.781 -2.319 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.484 -2.111 -3.896 1.00 0.00 H new ATOM 0 HG SER A 2 9.137 -3.386 -1.986 1.00 0.00 H new ATOM 31 N ALA A 3 7.498 1.404 -4.416 1.00 0.00 N ATOM 32 CA ALA A 3 7.144 2.126 -5.630 1.00 0.00 C ATOM 33 C ALA A 3 6.996 3.618 -5.337 1.00 0.00 C ATOM 34 O ALA A 3 6.857 4.024 -4.182 1.00 0.00 O ATOM 35 CB ALA A 3 5.840 1.558 -6.191 1.00 0.00 C ATOM 0 H ALA A 3 7.115 1.820 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 3 7.936 2.003 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.570 2.095 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.973 0.501 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.046 1.673 -5.453 1.00 0.00 H new ATOM 41 N LEU A 4 7.023 4.431 -6.396 1.00 0.00 N ATOM 42 CA LEU A 4 6.919 5.875 -6.293 1.00 0.00 C ATOM 43 C LEU A 4 6.167 6.441 -7.495 1.00 0.00 C ATOM 44 O LEU A 4 6.756 7.041 -8.391 1.00 0.00 O ATOM 45 CB LEU A 4 8.309 6.512 -6.117 1.00 0.00 C ATOM 46 CG LEU A 4 9.355 6.143 -7.177 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.487 7.163 -7.115 1.00 0.00 C ATOM 48 CD2 LEU A 4 9.976 4.769 -6.935 1.00 0.00 C ATOM 0 H LEU A 4 7.119 4.095 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 4 6.342 6.127 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.192 7.596 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.696 6.228 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 4 8.848 6.133 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.241 6.916 -7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.091 8.159 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.940 7.144 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.709 4.559 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.467 4.758 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.196 4.008 -6.956 1.00 0.00 H new ATOM 60 N THR A 5 4.848 6.247 -7.515 1.00 0.00 N ATOM 61 CA THR A 5 3.992 6.744 -8.582 1.00 0.00 C ATOM 62 C THR A 5 3.727 8.233 -8.440 1.00 0.00 C ATOM 63 O THR A 5 3.106 8.819 -9.324 1.00 0.00 O ATOM 64 CB THR A 5 2.655 5.997 -8.569 1.00 0.00 C ATOM 65 OG1 THR A 5 2.269 5.689 -7.246 1.00 0.00 O ATOM 66 CG2 THR A 5 2.770 4.710 -9.385 1.00 0.00 C ATOM 0 H THR A 5 4.346 5.739 -6.787 1.00 0.00 H new ATOM 0 HA THR A 5 4.511 6.573 -9.525 1.00 0.00 H new ATOM 0 HB THR A 5 1.896 6.641 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.412 5.214 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.815 4.184 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.035 4.954 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.542 4.073 -8.953 1.00 0.00 H new ATOM 74 N GLN A 6 4.183 8.853 -7.349 1.00 0.00 N ATOM 75 CA GLN A 6 3.886 10.251 -7.094 1.00 0.00 C ATOM 76 C GLN A 6 5.137 11.100 -6.940 1.00 0.00 C ATOM 77 O GLN A 6 5.939 10.882 -6.030 1.00 0.00 O ATOM 78 CB GLN A 6 2.985 10.339 -5.866 1.00 0.00 C ATOM 79 CG GLN A 6 1.739 9.504 -6.163 1.00 0.00 C ATOM 80 CD GLN A 6 0.620 9.658 -5.148 1.00 0.00 C ATOM 81 OE1 GLN A 6 0.707 10.418 -4.186 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.450 8.907 -5.375 1.00 0.00 N ATOM 0 H GLN A 6 4.757 8.405 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 6 3.368 10.662 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.500 9.962 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.715 11.375 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.360 9.778 -7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.025 8.453 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.477 8.291 -6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.245 8.946 -4.737 1.00 0.00 H new ATOM 91 N ILE A 7 5.288 12.072 -7.845 1.00 0.00 N ATOM 92 CA ILE A 7 6.469 12.918 -7.924 1.00 0.00 C ATOM 93 C ILE A 7 6.064 14.385 -7.812 1.00 0.00 C ATOM 94 O ILE A 7 5.113 14.814 -8.471 1.00 0.00 O ATOM 95 CB ILE A 7 7.199 12.674 -9.257 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.267 11.192 -9.658 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.605 13.271 -9.183 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.003 10.319 -8.645 1.00 0.00 C ATOM 0 H ILE A 7 4.582 12.291 -8.548 1.00 0.00 H new ATOM 0 HA ILE A 7 7.141 12.671 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 7 6.617 13.168 -10.035 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.253 10.811 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.762 11.108 -10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.123 13.099 -10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.536 14.343 -8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.159 12.797 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.012 9.286 -8.993 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.028 10.674 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.496 10.373 -7.682 1.00 0.00 H new ATOM 110 N LEU A 8 6.777 15.160 -6.992 1.00 0.00 N ATOM 111 CA LEU A 8 6.571 16.599 -6.905 1.00 0.00 C ATOM 112 C LEU A 8 7.469 17.269 -7.948 1.00 0.00 C ATOM 113 O LEU A 8 8.622 16.879 -8.120 1.00 0.00 O ATOM 114 CB LEU A 8 6.870 17.084 -5.480 1.00 0.00 C ATOM 115 CG LEU A 8 6.055 18.308 -5.039 1.00 0.00 C ATOM 116 CD1 LEU A 8 6.593 18.805 -3.702 1.00 0.00 C ATOM 117 CD2 LEU A 8 6.109 19.472 -6.022 1.00 0.00 C ATOM 0 H LEU A 8 7.508 14.806 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 8 5.534 16.862 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.679 16.267 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.931 17.324 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 8 5.018 17.978 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.020 19.675 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.502 18.015 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.642 19.081 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.509 20.298 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.142 19.799 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.715 19.152 -6.987 1.00 0.00 H new ATOM 129 N ILE A 9 6.939 18.274 -8.643 1.00 0.00 N ATOM 130 CA ILE A 9 7.631 18.968 -9.719 1.00 0.00 C ATOM 131 C ILE A 9 7.948 20.396 -9.285 1.00 0.00 C ATOM 132 O ILE A 9 7.051 21.132 -8.870 1.00 0.00 O ATOM 133 CB ILE A 9 6.725 18.922 -10.957 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.565 17.470 -11.428 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.285 19.793 -12.084 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.376 17.317 -12.379 1.00 0.00 C ATOM 0 H ILE A 9 6.000 18.632 -8.468 1.00 0.00 H new ATOM 0 HA ILE A 9 8.582 18.492 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 9 5.747 19.320 -10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.477 17.146 -11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.428 16.819 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.622 19.741 -12.948 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.357 20.826 -11.744 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.275 19.433 -12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.292 16.276 -12.693 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.461 17.617 -11.868 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.527 17.949 -13.254 1.00 0.00 H new ATOM 148 N VAL A 10 9.220 20.794 -9.379 1.00 0.00 N ATOM 149 CA VAL A 10 9.661 22.129 -8.988 1.00 0.00 C ATOM 150 C VAL A 10 10.539 22.734 -10.077 1.00 0.00 C ATOM 151 O VAL A 10 11.562 22.154 -10.441 1.00 0.00 O ATOM 152 CB VAL A 10 10.431 22.070 -7.667 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.694 23.485 -7.158 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.661 21.278 -6.608 1.00 0.00 C ATOM 0 H VAL A 10 9.970 20.198 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 10 8.782 22.759 -8.853 1.00 0.00 H new ATOM 0 HB VAL A 10 11.378 21.562 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.242 23.437 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.283 24.033 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.745 23.997 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.235 21.255 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.698 21.755 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.501 20.259 -6.961 1.00 0.00 H new ATOM 164 N GLU A 11 10.138 23.899 -10.593 1.00 0.00 N ATOM 165 CA GLU A 11 10.844 24.570 -11.679 1.00 0.00 C ATOM 166 C GLU A 11 10.852 26.080 -11.466 1.00 0.00 C ATOM 167 O GLU A 11 9.978 26.621 -10.787 1.00 0.00 O ATOM 168 CB GLU A 11 10.155 24.263 -13.014 1.00 0.00 C ATOM 169 CG GLU A 11 10.201 22.780 -13.391 1.00 0.00 C ATOM 170 CD GLU A 11 11.625 22.278 -13.645 1.00 0.00 C ATOM 171 OE1 GLU A 11 11.837 21.057 -13.477 1.00 0.00 O ATOM 172 OE2 GLU A 11 12.487 23.111 -14.006 1.00 0.00 O ATOM 0 H GLU A 11 9.313 24.401 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 11 11.871 24.205 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.115 24.585 -12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.630 24.846 -13.803 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.750 22.192 -12.591 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.598 22.618 -14.285 1.00 0.00 H new ATOM 179 N ASP A 12 11.839 26.765 -12.047 1.00 0.00 N ATOM 180 CA ASP A 12 11.924 28.219 -11.995 1.00 0.00 C ATOM 181 C ASP A 12 11.079 28.858 -13.107 1.00 0.00 C ATOM 182 O ASP A 12 10.924 30.077 -13.143 1.00 0.00 O ATOM 183 CB ASP A 12 13.392 28.635 -12.099 1.00 0.00 C ATOM 184 CG ASP A 12 13.566 30.146 -11.954 1.00 0.00 C ATOM 185 OD1 ASP A 12 14.065 30.767 -12.920 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.199 30.670 -10.877 1.00 0.00 O ATOM 0 H ASP A 12 12.599 26.325 -12.565 1.00 0.00 H new ATOM 0 HA ASP A 12 11.521 28.574 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.969 28.127 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.794 28.314 -13.060 1.00 0.00 H new ATOM 191 N GLU A 13 10.532 28.040 -14.013 1.00 0.00 N ATOM 192 CA GLU A 13 9.709 28.516 -15.117 1.00 0.00 C ATOM 193 C GLU A 13 8.463 27.633 -15.250 1.00 0.00 C ATOM 194 O GLU A 13 8.592 26.414 -15.365 1.00 0.00 O ATOM 195 CB GLU A 13 10.512 28.485 -16.421 1.00 0.00 C ATOM 196 CG GLU A 13 11.710 29.432 -16.364 1.00 0.00 C ATOM 197 CD GLU A 13 12.467 29.426 -17.688 1.00 0.00 C ATOM 198 OE1 GLU A 13 13.355 28.559 -17.843 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.154 30.289 -18.539 1.00 0.00 O ATOM 0 H GLU A 13 10.651 27.027 -13.996 1.00 0.00 H new ATOM 0 HA GLU A 13 9.402 29.542 -14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.859 27.469 -16.612 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.866 28.763 -17.254 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.370 30.443 -16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.378 29.133 -15.556 1.00 0.00 H new ATOM 206 N PRO A 14 7.257 28.219 -15.242 1.00 0.00 N ATOM 207 CA PRO A 14 6.014 27.475 -15.383 1.00 0.00 C ATOM 208 C PRO A 14 5.939 26.691 -16.690 1.00 0.00 C ATOM 209 O PRO A 14 5.226 25.691 -16.772 1.00 0.00 O ATOM 210 CB PRO A 14 4.904 28.527 -15.335 1.00 0.00 C ATOM 211 CG PRO A 14 5.539 29.698 -14.593 1.00 0.00 C ATOM 212 CD PRO A 14 6.991 29.632 -15.052 1.00 0.00 C ATOM 0 HA PRO A 14 5.928 26.731 -14.591 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.583 28.815 -16.336 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.023 28.154 -14.813 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.073 30.647 -14.858 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.450 29.590 -13.512 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.139 30.190 -15.977 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.661 30.064 -14.308 1.00 0.00 H new ATOM 220 N LEU A 15 6.669 27.129 -17.720 1.00 0.00 N ATOM 221 CA LEU A 15 6.646 26.474 -19.018 1.00 0.00 C ATOM 222 C LEU A 15 7.265 25.082 -18.926 1.00 0.00 C ATOM 223 O LEU A 15 6.842 24.169 -19.631 1.00 0.00 O ATOM 224 CB LEU A 15 7.399 27.353 -20.021 1.00 0.00 C ATOM 225 CG LEU A 15 7.416 26.756 -21.431 1.00 0.00 C ATOM 226 CD1 LEU A 15 6.000 26.590 -21.979 1.00 0.00 C ATOM 227 CD2 LEU A 15 8.187 27.690 -22.360 1.00 0.00 C ATOM 0 H LEU A 15 7.285 27.941 -17.672 1.00 0.00 H new ATOM 0 HA LEU A 15 5.617 26.347 -19.354 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.936 28.339 -20.054 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.424 27.493 -19.678 1.00 0.00 H new ATOM 0 HG LEU A 15 7.891 25.776 -21.380 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.045 26.164 -22.981 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.433 25.925 -21.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.509 27.562 -22.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.203 27.271 -23.366 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.701 28.665 -22.381 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.209 27.802 -21.997 1.00 0.00 H new ATOM 239 N ILE A 16 8.264 24.915 -18.055 1.00 0.00 N ATOM 240 CA ILE A 16 8.913 23.625 -17.880 1.00 0.00 C ATOM 241 C ILE A 16 8.105 22.775 -16.908 1.00 0.00 C ATOM 242 O ILE A 16 8.159 21.550 -16.986 1.00 0.00 O ATOM 243 CB ILE A 16 10.350 23.824 -17.380 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.143 24.750 -18.319 1.00 0.00 C ATOM 245 CG2 ILE A 16 11.067 22.472 -17.244 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.251 24.207 -19.747 1.00 0.00 C ATOM 0 H ILE A 16 8.636 25.659 -17.464 1.00 0.00 H new ATOM 0 HA ILE A 16 8.959 23.105 -18.837 1.00 0.00 H new ATOM 0 HB ILE A 16 10.297 24.296 -16.399 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.664 25.729 -18.344 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.145 24.896 -17.915 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.085 22.634 -16.888 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.529 21.845 -16.533 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.096 21.977 -18.214 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.821 24.905 -20.360 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.756 23.241 -19.732 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.252 24.087 -20.167 1.00 0.00 H new ATOM 258 N ALA A 17 7.355 23.408 -16.001 1.00 0.00 N ATOM 259 CA ALA A 17 6.557 22.680 -15.028 1.00 0.00 C ATOM 260 C ALA A 17 5.333 22.051 -15.691 1.00 0.00 C ATOM 261 O ALA A 17 4.960 20.930 -15.355 1.00 0.00 O ATOM 262 CB ALA A 17 6.138 23.639 -13.916 1.00 0.00 C ATOM 0 H ALA A 17 7.288 24.423 -15.926 1.00 0.00 H new ATOM 0 HA ALA A 17 7.152 21.871 -14.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.538 23.103 -13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.026 24.047 -13.433 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.550 24.453 -14.340 1.00 0.00 H new ATOM 268 N MET A 18 4.704 22.762 -16.631 1.00 0.00 N ATOM 269 CA MET A 18 3.545 22.232 -17.336 1.00 0.00 C ATOM 270 C MET A 18 3.983 21.182 -18.353 1.00 0.00 C ATOM 271 O MET A 18 3.246 20.235 -18.623 1.00 0.00 O ATOM 272 CB MET A 18 2.792 23.370 -18.030 1.00 0.00 C ATOM 273 CG MET A 18 2.179 24.324 -17.004 1.00 0.00 C ATOM 274 SD MET A 18 1.191 25.661 -17.726 1.00 0.00 S ATOM 275 CE MET A 18 2.492 26.567 -18.604 1.00 0.00 C ATOM 0 H MET A 18 4.980 23.701 -16.917 1.00 0.00 H new ATOM 0 HA MET A 18 2.877 21.758 -16.617 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.473 23.918 -18.681 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.007 22.958 -18.664 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.550 23.751 -16.322 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.980 24.761 -16.408 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.078 27.486 -19.020 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.296 26.813 -17.910 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.885 25.948 -19.410 1.00 0.00 H new ATOM 285 N MET A 19 5.181 21.341 -18.922 1.00 0.00 N ATOM 286 CA MET A 19 5.705 20.364 -19.859 1.00 0.00 C ATOM 287 C MET A 19 6.176 19.117 -19.107 1.00 0.00 C ATOM 288 O MET A 19 6.236 18.032 -19.683 1.00 0.00 O ATOM 289 CB MET A 19 6.837 20.999 -20.671 1.00 0.00 C ATOM 290 CG MET A 19 7.163 20.148 -21.897 1.00 0.00 C ATOM 291 SD MET A 19 5.805 20.044 -23.093 1.00 0.00 S ATOM 292 CE MET A 19 6.555 18.933 -24.310 1.00 0.00 C ATOM 0 H MET A 19 5.797 22.135 -18.747 1.00 0.00 H new ATOM 0 HA MET A 19 4.922 20.053 -20.551 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.548 22.002 -20.984 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.725 21.103 -20.047 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.041 20.562 -22.393 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.426 19.142 -21.571 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.057 19.058 -25.272 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.614 19.170 -24.416 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.446 17.901 -23.976 1.00 0.00 H new ATOM 302 N LEU A 20 6.505 19.262 -17.821 1.00 0.00 N ATOM 303 CA LEU A 20 6.912 18.138 -16.994 1.00 0.00 C ATOM 304 C LEU A 20 5.720 17.215 -16.770 1.00 0.00 C ATOM 305 O LEU A 20 5.862 15.995 -16.786 1.00 0.00 O ATOM 306 CB LEU A 20 7.424 18.658 -15.645 1.00 0.00 C ATOM 307 CG LEU A 20 8.739 18.013 -15.197 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.639 16.490 -15.159 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.872 18.459 -16.118 1.00 0.00 C ATOM 0 H LEU A 20 6.495 20.157 -17.332 1.00 0.00 H new ATOM 0 HA LEU A 20 7.707 17.585 -17.494 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.562 19.737 -15.710 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.664 18.479 -14.884 1.00 0.00 H new ATOM 0 HG LEU A 20 8.951 18.345 -14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.592 16.071 -14.837 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.857 16.194 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.396 16.116 -16.154 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.806 17.998 -15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.651 18.154 -17.141 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.970 19.544 -16.076 1.00 0.00 H new ATOM 321 N GLU A 21 4.535 17.795 -16.563 1.00 0.00 N ATOM 322 CA GLU A 21 3.327 17.008 -16.361 1.00 0.00 C ATOM 323 C GLU A 21 2.880 16.369 -17.673 1.00 0.00 C ATOM 324 O GLU A 21 2.161 15.371 -17.654 1.00 0.00 O ATOM 325 CB GLU A 21 2.213 17.894 -15.797 1.00 0.00 C ATOM 326 CG GLU A 21 2.604 18.483 -14.441 1.00 0.00 C ATOM 327 CD GLU A 21 1.425 19.230 -13.817 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.858 18.700 -12.838 1.00 0.00 O ATOM 329 OE2 GLU A 21 1.100 20.326 -14.327 1.00 0.00 O ATOM 0 H GLU A 21 4.392 18.804 -16.532 1.00 0.00 H new ATOM 0 HA GLU A 21 3.543 16.214 -15.647 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.997 18.701 -16.498 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.299 17.310 -15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.931 17.686 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.448 19.162 -14.563 1.00 0.00 H new ATOM 336 N ASP A 22 3.294 16.929 -18.815 1.00 0.00 N ATOM 337 CA ASP A 22 2.930 16.377 -20.110 1.00 0.00 C ATOM 338 C ASP A 22 3.688 15.077 -20.386 1.00 0.00 C ATOM 339 O ASP A 22 3.108 14.131 -20.920 1.00 0.00 O ATOM 340 CB ASP A 22 3.214 17.413 -21.201 1.00 0.00 C ATOM 341 CG ASP A 22 2.725 16.924 -22.564 1.00 0.00 C ATOM 342 OD1 ASP A 22 1.495 16.980 -22.789 1.00 0.00 O ATOM 343 OD2 ASP A 22 3.583 16.498 -23.371 1.00 0.00 O ATOM 0 H ASP A 22 3.880 17.763 -18.861 1.00 0.00 H new ATOM 0 HA ASP A 22 1.866 16.141 -20.107 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.723 18.353 -20.951 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.284 17.615 -21.246 1.00 0.00 H new ATOM 348 N PHE A 23 4.973 15.004 -20.031 1.00 0.00 N ATOM 349 CA PHE A 23 5.731 13.784 -20.251 1.00 0.00 C ATOM 350 C PHE A 23 5.335 12.715 -19.235 1.00 0.00 C ATOM 351 O PHE A 23 5.440 11.524 -19.525 1.00 0.00 O ATOM 352 CB PHE A 23 7.228 14.081 -20.176 1.00 0.00 C ATOM 353 CG PHE A 23 7.768 14.829 -21.380 1.00 0.00 C ATOM 354 CD1 PHE A 23 7.817 14.196 -22.630 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.224 16.148 -21.249 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.321 14.878 -23.745 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.727 16.831 -22.366 1.00 0.00 C ATOM 358 CZ PHE A 23 8.781 16.196 -23.612 1.00 0.00 C ATOM 0 H PHE A 23 5.497 15.764 -19.598 1.00 0.00 H new ATOM 0 HA PHE A 23 5.503 13.400 -21.245 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.428 14.666 -19.278 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.770 13.141 -20.072 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.465 13.180 -22.734 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.188 16.639 -20.288 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.355 14.389 -24.707 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.073 17.849 -22.264 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.176 16.720 -24.470 1.00 0.00 H new ATOM 368 N LEU A 24 4.874 13.115 -18.045 1.00 0.00 N ATOM 369 CA LEU A 24 4.416 12.153 -17.053 1.00 0.00 C ATOM 370 C LEU A 24 3.024 11.631 -17.412 1.00 0.00 C ATOM 371 O LEU A 24 2.609 10.593 -16.903 1.00 0.00 O ATOM 372 CB LEU A 24 4.448 12.787 -15.658 1.00 0.00 C ATOM 373 CG LEU A 24 5.762 12.471 -14.933 1.00 0.00 C ATOM 374 CD1 LEU A 24 6.986 12.996 -15.682 1.00 0.00 C ATOM 375 CD2 LEU A 24 5.735 13.098 -13.543 1.00 0.00 C ATOM 0 H LEU A 24 4.811 14.090 -17.753 1.00 0.00 H new ATOM 0 HA LEU A 24 5.088 11.295 -17.046 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.328 13.867 -15.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.608 12.419 -15.069 1.00 0.00 H new ATOM 0 HG LEU A 24 5.845 11.386 -14.875 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.889 12.745 -15.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.031 12.539 -16.671 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.913 14.079 -15.785 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.668 12.875 -13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.619 14.178 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.899 12.690 -12.976 1.00 0.00 H new ATOM 387 N GLU A 25 2.298 12.333 -18.289 1.00 0.00 N ATOM 388 CA GLU A 25 1.010 11.852 -18.766 1.00 0.00 C ATOM 389 C GLU A 25 1.226 10.782 -19.839 1.00 0.00 C ATOM 390 O GLU A 25 0.394 9.893 -20.012 1.00 0.00 O ATOM 391 CB GLU A 25 0.204 13.034 -19.312 1.00 0.00 C ATOM 392 CG GLU A 25 -1.234 12.640 -19.658 1.00 0.00 C ATOM 393 CD GLU A 25 -2.010 12.198 -18.419 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.317 13.081 -17.585 1.00 0.00 O ATOM 395 OE2 GLU A 25 -2.290 10.985 -18.311 1.00 0.00 O ATOM 0 H GLU A 25 2.584 13.232 -18.678 1.00 0.00 H new ATOM 0 HA GLU A 25 0.450 11.400 -17.948 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.192 13.836 -18.574 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.696 13.427 -20.202 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.741 13.485 -20.123 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.224 11.832 -20.389 1.00 0.00 H new ATOM 402 N VAL A 26 2.351 10.864 -20.562 1.00 0.00 N ATOM 403 CA VAL A 26 2.717 9.868 -21.563 1.00 0.00 C ATOM 404 C VAL A 26 3.338 8.642 -20.892 1.00 0.00 C ATOM 405 O VAL A 26 3.358 7.561 -21.481 1.00 0.00 O ATOM 406 CB VAL A 26 3.676 10.506 -22.575 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.160 9.498 -23.617 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.965 11.636 -23.319 1.00 0.00 C ATOM 0 H VAL A 26 3.027 11.622 -20.466 1.00 0.00 H new ATOM 0 HA VAL A 26 1.827 9.529 -22.093 1.00 0.00 H new ATOM 0 HB VAL A 26 4.532 10.878 -22.012 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.837 9.992 -24.314 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.684 8.683 -23.118 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.305 9.100 -24.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.650 12.086 -24.037 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.099 11.236 -23.846 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.638 12.392 -22.605 1.00 0.00 H new ATOM 418 N LEU A 27 3.840 8.801 -19.661 1.00 0.00 N ATOM 419 CA LEU A 27 4.447 7.717 -18.898 1.00 0.00 C ATOM 420 C LEU A 27 3.474 7.121 -17.873 1.00 0.00 C ATOM 421 O LEU A 27 3.894 6.362 -17.001 1.00 0.00 O ATOM 422 CB LEU A 27 5.742 8.203 -18.238 1.00 0.00 C ATOM 423 CG LEU A 27 6.814 8.576 -19.270 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.023 9.150 -18.537 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.267 7.361 -20.078 1.00 0.00 C ATOM 0 H LEU A 27 3.834 9.694 -19.168 1.00 0.00 H new ATOM 0 HA LEU A 27 4.694 6.911 -19.589 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.526 9.069 -17.612 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.128 7.423 -17.581 1.00 0.00 H new ATOM 0 HG LEU A 27 6.385 9.305 -19.957 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.793 9.419 -19.260 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.723 10.037 -17.979 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.418 8.404 -17.847 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.026 7.666 -20.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.685 6.612 -19.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.414 6.938 -20.608 1.00 0.00 H new ATOM 437 N ASP A 28 2.183 7.463 -17.972 1.00 0.00 N ATOM 438 CA ASP A 28 1.143 6.955 -17.082 1.00 0.00 C ATOM 439 C ASP A 28 1.491 7.162 -15.603 1.00 0.00 C ATOM 440 O ASP A 28 1.145 6.345 -14.752 1.00 0.00 O ATOM 441 CB ASP A 28 0.823 5.501 -17.440 1.00 0.00 C ATOM 442 CG ASP A 28 -0.429 4.989 -16.726 1.00 0.00 C ATOM 443 OD1 ASP A 28 -1.439 5.728 -16.717 1.00 0.00 O ATOM 444 OD2 ASP A 28 -0.362 3.858 -16.196 1.00 0.00 O ATOM 0 H ASP A 28 1.832 8.107 -18.681 1.00 0.00 H new ATOM 0 HA ASP A 28 0.233 7.536 -17.233 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.684 5.417 -18.518 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.672 4.869 -17.178 1.00 0.00 H new ATOM 449 N LYS A 29 2.181 8.265 -15.301 1.00 0.00 N ATOM 450 CA LYS A 29 2.605 8.613 -13.953 1.00 0.00 C ATOM 451 C LYS A 29 1.487 9.364 -13.228 1.00 0.00 C ATOM 452 O LYS A 29 0.552 9.854 -13.865 1.00 0.00 O ATOM 453 CB LYS A 29 3.882 9.459 -14.051 1.00 0.00 C ATOM 454 CG LYS A 29 5.056 8.849 -13.283 1.00 0.00 C ATOM 455 CD LYS A 29 4.764 8.803 -11.786 1.00 0.00 C ATOM 456 CE LYS A 29 6.013 8.405 -11.003 1.00 0.00 C ATOM 457 NZ LYS A 29 6.464 7.040 -11.345 1.00 0.00 N ATOM 0 H LYS A 29 2.463 8.950 -16.003 1.00 0.00 H new ATOM 0 HA LYS A 29 2.818 7.714 -13.375 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.158 9.572 -15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.681 10.458 -13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.252 7.842 -13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.957 9.435 -13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.413 9.778 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.963 8.091 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.814 9.115 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.806 8.462 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.729 6.534 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.694 6.529 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.287 7.095 -11.979 1.00 0.00 H new ATOM 471 N THR A 30 1.576 9.461 -11.897 1.00 0.00 N ATOM 472 CA THR A 30 0.584 10.170 -11.088 1.00 0.00 C ATOM 473 C THR A 30 1.231 11.350 -10.362 1.00 0.00 C ATOM 474 O THR A 30 1.464 11.281 -9.157 1.00 0.00 O ATOM 475 CB THR A 30 -0.090 9.199 -10.109 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.519 8.051 -10.810 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.312 9.849 -9.465 1.00 0.00 C ATOM 0 H THR A 30 2.336 9.051 -11.354 1.00 0.00 H new ATOM 0 HA THR A 30 -0.189 10.574 -11.742 1.00 0.00 H new ATOM 0 HB THR A 30 0.631 8.933 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.948 7.428 -10.187 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.777 9.146 -8.774 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.005 10.742 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.028 10.124 -10.239 1.00 0.00 H new ATOM 485 N PRO A 31 1.537 12.449 -11.070 1.00 0.00 N ATOM 486 CA PRO A 31 2.129 13.634 -10.473 1.00 0.00 C ATOM 487 C PRO A 31 1.164 14.232 -9.451 1.00 0.00 C ATOM 488 O PRO A 31 -0.047 14.036 -9.549 1.00 0.00 O ATOM 489 CB PRO A 31 2.410 14.586 -11.638 1.00 0.00 C ATOM 490 CG PRO A 31 1.400 14.153 -12.698 1.00 0.00 C ATOM 491 CD PRO A 31 1.313 12.645 -12.489 1.00 0.00 C ATOM 0 HA PRO A 31 3.050 13.421 -9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.268 15.628 -11.349 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.435 14.491 -11.997 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.434 14.637 -12.557 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.738 14.403 -13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.339 12.260 -12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.062 12.120 -13.083 1.00 0.00 H new ATOM 499 N VAL A 32 1.698 14.962 -8.466 1.00 0.00 N ATOM 500 CA VAL A 32 0.892 15.440 -7.347 1.00 0.00 C ATOM 501 C VAL A 32 0.791 16.959 -7.284 1.00 0.00 C ATOM 502 O VAL A 32 -0.032 17.483 -6.538 1.00 0.00 O ATOM 503 CB VAL A 32 1.431 14.863 -6.034 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.357 13.340 -6.072 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.889 15.250 -5.784 1.00 0.00 C ATOM 0 H VAL A 32 2.681 15.232 -8.424 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.126 15.084 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 32 0.815 15.274 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.741 12.934 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.321 13.029 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.956 12.967 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.224 14.817 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.510 14.874 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.974 16.336 -5.735 1.00 0.00 H new ATOM 515 N GLY A 33 1.608 17.681 -8.053 1.00 0.00 N ATOM 516 CA GLY A 33 1.509 19.131 -8.086 1.00 0.00 C ATOM 517 C GLY A 33 2.742 19.780 -8.706 1.00 0.00 C ATOM 518 O GLY A 33 3.719 19.108 -9.034 1.00 0.00 O ATOM 0 H GLY A 33 2.334 17.287 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.624 19.420 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.374 19.507 -7.072 1.00 0.00 H new ATOM 522 N THR A 34 2.676 21.102 -8.856 1.00 0.00 N ATOM 523 CA THR A 34 3.781 21.917 -9.340 1.00 0.00 C ATOM 524 C THR A 34 3.946 23.122 -8.422 1.00 0.00 C ATOM 525 O THR A 34 2.956 23.668 -7.931 1.00 0.00 O ATOM 526 CB THR A 34 3.546 22.369 -10.784 1.00 0.00 C ATOM 527 OG1 THR A 34 2.324 23.068 -10.887 1.00 0.00 O ATOM 528 CG2 THR A 34 3.511 21.181 -11.744 1.00 0.00 C ATOM 0 H THR A 34 1.838 21.642 -8.640 1.00 0.00 H new ATOM 0 HA THR A 34 4.693 21.320 -9.331 1.00 0.00 H new ATOM 0 HB THR A 34 4.376 23.021 -11.057 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.187 23.353 -11.815 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.342 21.539 -12.760 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.461 20.649 -11.700 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.704 20.506 -11.458 1.00 0.00 H new ATOM 536 N VAL A 35 5.193 23.537 -8.188 1.00 0.00 N ATOM 537 CA VAL A 35 5.503 24.682 -7.341 1.00 0.00 C ATOM 538 C VAL A 35 6.735 25.413 -7.872 1.00 0.00 C ATOM 539 O VAL A 35 7.488 24.863 -8.675 1.00 0.00 O ATOM 540 CB VAL A 35 5.712 24.242 -5.884 1.00 0.00 C ATOM 541 CG1 VAL A 35 4.452 23.592 -5.312 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.847 23.231 -5.765 1.00 0.00 C ATOM 0 H VAL A 35 6.017 23.084 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 35 4.658 25.370 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 35 5.955 25.146 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.634 23.292 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.628 24.305 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.194 22.714 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.968 22.941 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.613 22.349 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.773 23.679 -6.127 1.00 0.00 H new ATOM 552 N ASP A 36 6.938 26.654 -7.428 1.00 0.00 N ATOM 553 CA ASP A 36 8.043 27.487 -7.880 1.00 0.00 C ATOM 554 C ASP A 36 8.852 28.054 -6.710 1.00 0.00 C ATOM 555 O ASP A 36 9.741 28.879 -6.917 1.00 0.00 O ATOM 556 CB ASP A 36 7.507 28.603 -8.781 1.00 0.00 C ATOM 557 CG ASP A 36 6.660 29.606 -7.998 1.00 0.00 C ATOM 558 OD1 ASP A 36 7.120 30.760 -7.849 1.00 0.00 O ATOM 559 OD2 ASP A 36 5.558 29.214 -7.552 1.00 0.00 O ATOM 0 H ASP A 36 6.335 27.108 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 36 8.729 26.865 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.341 29.122 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.908 28.168 -9.581 1.00 0.00 H new ATOM 564 N THR A 37 8.551 27.618 -5.485 1.00 0.00 N ATOM 565 CA THR A 37 9.244 28.072 -4.288 1.00 0.00 C ATOM 566 C THR A 37 9.335 26.938 -3.270 1.00 0.00 C ATOM 567 O THR A 37 8.533 26.004 -3.298 1.00 0.00 O ATOM 568 CB THR A 37 8.535 29.299 -3.704 1.00 0.00 C ATOM 569 OG1 THR A 37 9.226 29.748 -2.557 1.00 0.00 O ATOM 570 CG2 THR A 37 7.095 28.987 -3.301 1.00 0.00 C ATOM 0 H THR A 37 7.815 26.937 -5.300 1.00 0.00 H new ATOM 0 HA THR A 37 10.261 28.366 -4.549 1.00 0.00 H new ATOM 0 HB THR A 37 8.525 30.065 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.771 30.533 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.629 29.884 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.536 28.655 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.091 28.200 -2.547 1.00 0.00 H new ATOM 578 N VAL A 38 10.316 27.016 -2.365 1.00 0.00 N ATOM 579 CA VAL A 38 10.567 25.953 -1.398 1.00 0.00 C ATOM 580 C VAL A 38 9.433 25.839 -0.384 1.00 0.00 C ATOM 581 O VAL A 38 9.187 24.753 0.144 1.00 0.00 O ATOM 582 CB VAL A 38 11.907 26.197 -0.694 1.00 0.00 C ATOM 583 CG1 VAL A 38 13.039 26.209 -1.720 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.928 27.524 0.067 1.00 0.00 C ATOM 0 H VAL A 38 10.950 27.811 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 38 10.615 25.006 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 38 12.042 25.387 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.988 26.383 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.073 25.249 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.864 27.004 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.897 27.652 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.758 28.345 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.144 27.522 0.824 1.00 0.00 H new ATOM 594 N ALA A 39 8.733 26.942 -0.103 1.00 0.00 N ATOM 595 CA ALA A 39 7.622 26.917 0.835 1.00 0.00 C ATOM 596 C ALA A 39 6.441 26.168 0.222 1.00 0.00 C ATOM 597 O ALA A 39 5.609 25.618 0.945 1.00 0.00 O ATOM 598 CB ALA A 39 7.245 28.355 1.192 1.00 0.00 C ATOM 0 H ALA A 39 8.920 27.857 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 39 7.909 26.393 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.412 28.349 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.101 28.853 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.953 28.890 0.288 1.00 0.00 H new ATOM 604 N GLY A 40 6.363 26.147 -1.109 1.00 0.00 N ATOM 605 CA GLY A 40 5.304 25.449 -1.815 1.00 0.00 C ATOM 606 C GLY A 40 5.562 23.946 -1.810 1.00 0.00 C ATOM 607 O GLY A 40 4.615 23.162 -1.813 1.00 0.00 O ATOM 0 H GLY A 40 7.033 26.614 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.344 25.661 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.243 25.810 -2.842 1.00 0.00 H new ATOM 611 N ALA A 41 6.831 23.532 -1.796 1.00 0.00 N ATOM 612 CA ALA A 41 7.158 22.115 -1.781 1.00 0.00 C ATOM 613 C ALA A 41 6.704 21.489 -0.465 1.00 0.00 C ATOM 614 O ALA A 41 6.219 20.356 -0.449 1.00 0.00 O ATOM 615 CB ALA A 41 8.663 21.947 -1.984 1.00 0.00 C ATOM 0 H ALA A 41 7.638 24.156 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 41 6.637 21.604 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.915 20.887 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.951 22.379 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.197 22.455 -1.181 1.00 0.00 H new ATOM 621 N LEU A 42 6.852 22.216 0.646 1.00 0.00 N ATOM 622 CA LEU A 42 6.386 21.735 1.937 1.00 0.00 C ATOM 623 C LEU A 42 4.866 21.879 2.043 1.00 0.00 C ATOM 624 O LEU A 42 4.249 21.222 2.877 1.00 0.00 O ATOM 625 CB LEU A 42 7.091 22.490 3.069 1.00 0.00 C ATOM 626 CG LEU A 42 8.480 21.934 3.424 1.00 0.00 C ATOM 627 CD1 LEU A 42 8.374 20.520 3.995 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.422 21.899 2.222 1.00 0.00 C ATOM 0 H LEU A 42 7.290 23.137 0.671 1.00 0.00 H new ATOM 0 HA LEU A 42 6.631 20.677 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.192 23.537 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.461 22.461 3.958 1.00 0.00 H new ATOM 0 HG LEU A 42 8.892 22.613 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.370 20.150 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.763 20.537 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.913 19.863 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.388 21.498 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.996 21.265 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.555 22.909 1.834 1.00 0.00 H new ATOM 640 N ALA A 43 4.255 22.727 1.211 1.00 0.00 N ATOM 641 CA ALA A 43 2.808 22.877 1.200 1.00 0.00 C ATOM 642 C ALA A 43 2.141 21.714 0.460 1.00 0.00 C ATOM 643 O ALA A 43 0.980 21.406 0.728 1.00 0.00 O ATOM 644 CB ALA A 43 2.446 24.218 0.559 1.00 0.00 C ATOM 0 H ALA A 43 4.745 23.317 0.539 1.00 0.00 H new ATOM 0 HA ALA A 43 2.438 22.861 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.362 24.335 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.893 25.029 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.824 24.247 -0.463 1.00 0.00 H new ATOM 650 N ARG A 44 2.858 21.060 -0.462 1.00 0.00 N ATOM 651 CA ARG A 44 2.338 19.881 -1.149 1.00 0.00 C ATOM 652 C ARG A 44 2.434 18.667 -0.232 1.00 0.00 C ATOM 653 O ARG A 44 1.583 17.780 -0.294 1.00 0.00 O ATOM 654 CB ARG A 44 3.133 19.632 -2.436 1.00 0.00 C ATOM 655 CG ARG A 44 2.958 20.736 -3.479 1.00 0.00 C ATOM 656 CD ARG A 44 1.532 20.778 -4.028 1.00 0.00 C ATOM 657 NE ARG A 44 1.429 21.755 -5.118 1.00 0.00 N ATOM 658 CZ ARG A 44 0.341 21.938 -5.870 1.00 0.00 C ATOM 659 NH1 ARG A 44 -0.760 21.224 -5.654 1.00 0.00 N ATOM 660 NH2 ARG A 44 0.352 22.840 -6.848 1.00 0.00 N ATOM 0 H ARG A 44 3.799 21.331 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 44 1.293 20.050 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.191 19.540 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.822 18.681 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.204 21.700 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.658 20.576 -4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.246 19.790 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.837 21.040 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 44 2.245 22.334 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.779 20.529 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.586 21.372 -6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.192 23.392 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.479 22.980 -7.422 1.00 0.00 H new ATOM 674 N VAL A 45 3.463 18.627 0.620 1.00 0.00 N ATOM 675 CA VAL A 45 3.642 17.544 1.582 1.00 0.00 C ATOM 676 C VAL A 45 2.620 17.667 2.714 1.00 0.00 C ATOM 677 O VAL A 45 2.262 16.671 3.342 1.00 0.00 O ATOM 678 CB VAL A 45 5.079 17.577 2.122 1.00 0.00 C ATOM 679 CG1 VAL A 45 5.292 16.545 3.229 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.066 17.258 1.001 1.00 0.00 C ATOM 0 H VAL A 45 4.190 19.342 0.660 1.00 0.00 H new ATOM 0 HA VAL A 45 3.477 16.585 1.091 1.00 0.00 H new ATOM 0 HB VAL A 45 5.245 18.578 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.321 16.600 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.611 16.751 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.096 15.547 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.083 17.284 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.856 16.265 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.965 17.997 0.206 1.00 0.00 H new ATOM 690 N GLU A 46 2.143 18.884 2.981 1.00 0.00 N ATOM 691 CA GLU A 46 1.144 19.126 4.014 1.00 0.00 C ATOM 692 C GLU A 46 -0.267 18.837 3.493 1.00 0.00 C ATOM 693 O GLU A 46 -1.206 18.714 4.280 1.00 0.00 O ATOM 694 CB GLU A 46 1.290 20.572 4.497 1.00 0.00 C ATOM 695 CG GLU A 46 0.471 20.870 5.755 1.00 0.00 C ATOM 696 CD GLU A 46 0.905 19.994 6.931 1.00 0.00 C ATOM 697 OE1 GLU A 46 2.057 20.169 7.388 1.00 0.00 O ATOM 698 OE2 GLU A 46 0.085 19.154 7.367 1.00 0.00 O ATOM 0 H GLU A 46 2.440 19.725 2.487 1.00 0.00 H new ATOM 0 HA GLU A 46 1.305 18.451 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.341 20.777 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.980 21.248 3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.584 21.921 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.587 20.705 5.549 1.00 0.00 H new ATOM 705 N ASP A 47 -0.427 18.727 2.170 1.00 0.00 N ATOM 706 CA ASP A 47 -1.725 18.504 1.552 1.00 0.00 C ATOM 707 C ASP A 47 -1.937 17.028 1.204 1.00 0.00 C ATOM 708 O ASP A 47 -3.058 16.622 0.900 1.00 0.00 O ATOM 709 CB ASP A 47 -1.835 19.395 0.312 1.00 0.00 C ATOM 710 CG ASP A 47 -3.220 19.313 -0.324 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.303 18.833 -1.477 1.00 0.00 O ATOM 712 OD2 ASP A 47 -4.190 19.728 0.351 1.00 0.00 O ATOM 0 H ASP A 47 0.343 18.791 1.504 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.512 18.768 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.622 20.428 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.082 19.097 -0.418 1.00 0.00 H new ATOM 717 N GLY A 48 -0.873 16.220 1.248 1.00 0.00 N ATOM 718 CA GLY A 48 -0.962 14.797 0.960 1.00 0.00 C ATOM 719 C GLY A 48 0.414 14.142 0.912 1.00 0.00 C ATOM 720 O GLY A 48 1.439 14.820 0.961 1.00 0.00 O ATOM 0 H GLY A 48 0.067 16.538 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.570 14.309 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.468 14.650 0.006 1.00 0.00 H new ATOM 724 N GLY A 49 0.440 12.808 0.812 1.00 0.00 N ATOM 725 CA GLY A 49 1.685 12.055 0.743 1.00 0.00 C ATOM 726 C GLY A 49 2.348 12.202 -0.628 1.00 0.00 C ATOM 727 O GLY A 49 1.676 12.466 -1.624 1.00 0.00 O ATOM 0 H GLY A 49 -0.399 12.229 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.367 12.404 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.487 11.002 0.943 1.00 0.00 H new ATOM 731 N ILE A 50 3.672 12.028 -0.662 1.00 0.00 N ATOM 732 CA ILE A 50 4.472 12.115 -1.878 1.00 0.00 C ATOM 733 C ILE A 50 5.555 11.042 -1.807 1.00 0.00 C ATOM 734 O ILE A 50 6.046 10.742 -0.719 1.00 0.00 O ATOM 735 CB ILE A 50 5.081 13.521 -2.015 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.976 14.587 -1.962 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.870 13.623 -3.325 1.00 0.00 C ATOM 738 CD1 ILE A 50 4.499 15.998 -2.226 1.00 0.00 C ATOM 0 H ILE A 50 4.223 11.819 0.170 1.00 0.00 H new ATOM 0 HA ILE A 50 3.852 11.947 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 50 5.764 13.696 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.209 14.345 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.498 14.559 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.298 14.621 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.671 12.883 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.203 13.437 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.673 16.708 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.245 16.256 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.952 16.039 -3.216 1.00 0.00 H new ATOM 750 N ASP A 51 5.937 10.456 -2.946 1.00 0.00 N ATOM 751 CA ASP A 51 6.910 9.372 -2.958 1.00 0.00 C ATOM 752 C ASP A 51 8.291 9.840 -3.416 1.00 0.00 C ATOM 753 O ASP A 51 9.289 9.212 -3.071 1.00 0.00 O ATOM 754 CB ASP A 51 6.398 8.229 -3.837 1.00 0.00 C ATOM 755 CG ASP A 51 5.060 7.678 -3.347 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.938 7.442 -2.125 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.170 7.496 -4.208 1.00 0.00 O ATOM 0 H ASP A 51 5.585 10.717 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 51 7.027 9.014 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.290 8.582 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.136 7.427 -3.852 1.00 0.00 H new ATOM 762 N ALA A 52 8.361 10.930 -4.187 1.00 0.00 N ATOM 763 CA ALA A 52 9.629 11.520 -4.605 1.00 0.00 C ATOM 764 C ALA A 52 9.411 12.946 -5.116 1.00 0.00 C ATOM 765 O ALA A 52 8.273 13.399 -5.233 1.00 0.00 O ATOM 766 CB ALA A 52 10.242 10.658 -5.709 1.00 0.00 C ATOM 0 H ALA A 52 7.540 11.424 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 52 10.306 11.560 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.190 11.093 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.414 9.650 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.560 10.615 -6.558 1.00 0.00 H new ATOM 772 N ALA A 53 10.495 13.662 -5.427 1.00 0.00 N ATOM 773 CA ALA A 53 10.396 15.012 -5.962 1.00 0.00 C ATOM 774 C ALA A 53 11.571 15.344 -6.885 1.00 0.00 C ATOM 775 O ALA A 53 12.602 14.674 -6.855 1.00 0.00 O ATOM 776 CB ALA A 53 10.340 16.007 -4.802 1.00 0.00 C ATOM 0 H ALA A 53 11.451 13.324 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 53 9.486 15.080 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.266 17.021 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.470 15.794 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.245 15.916 -4.201 1.00 0.00 H new ATOM 782 N ILE A 54 11.411 16.386 -7.706 1.00 0.00 N ATOM 783 CA ILE A 54 12.471 16.896 -8.568 1.00 0.00 C ATOM 784 C ILE A 54 12.636 18.388 -8.294 1.00 0.00 C ATOM 785 O ILE A 54 11.660 19.134 -8.330 1.00 0.00 O ATOM 786 CB ILE A 54 12.138 16.634 -10.044 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.921 15.133 -10.280 1.00 0.00 C ATOM 788 CG2 ILE A 54 13.279 17.152 -10.922 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.529 14.831 -11.726 1.00 0.00 C ATOM 0 H ILE A 54 10.534 16.900 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 54 13.409 16.383 -8.354 1.00 0.00 H new ATOM 0 HB ILE A 54 11.219 17.159 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.834 14.591 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.142 14.770 -9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.044 16.967 -11.970 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.404 18.223 -10.762 1.00 0.00 H new ATOM 0 HG23 ILE A 54 14.203 16.636 -10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.386 13.757 -11.847 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.602 15.351 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.320 15.169 -12.396 1.00 0.00 H new ATOM 801 N LEU A 55 13.873 18.821 -8.019 1.00 0.00 N ATOM 802 CA LEU A 55 14.157 20.192 -7.622 1.00 0.00 C ATOM 803 C LEU A 55 15.036 20.894 -8.653 1.00 0.00 C ATOM 804 O LEU A 55 16.116 20.407 -8.981 1.00 0.00 O ATOM 805 CB LEU A 55 14.865 20.205 -6.257 1.00 0.00 C ATOM 806 CG LEU A 55 13.956 20.038 -5.029 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.991 21.215 -4.916 1.00 0.00 C ATOM 808 CD2 LEU A 55 13.148 18.742 -5.056 1.00 0.00 C ATOM 0 H LEU A 55 14.700 18.225 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 55 13.209 20.726 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.608 19.407 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.407 21.146 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 55 14.619 20.001 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.355 21.081 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.557 22.141 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.371 21.265 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.526 18.682 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.513 18.727 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.827 17.890 -5.083 1.00 0.00 H new ATOM 820 N ASP A 56 14.572 22.039 -9.161 1.00 0.00 N ATOM 821 CA ASP A 56 15.370 22.890 -10.033 1.00 0.00 C ATOM 822 C ASP A 56 16.226 23.836 -9.191 1.00 0.00 C ATOM 823 O ASP A 56 15.703 24.573 -8.356 1.00 0.00 O ATOM 824 CB ASP A 56 14.445 23.653 -10.976 1.00 0.00 C ATOM 825 CG ASP A 56 15.206 24.600 -11.901 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.571 25.571 -12.370 1.00 0.00 O ATOM 827 OD2 ASP A 56 16.410 24.348 -12.131 1.00 0.00 O ATOM 0 H ASP A 56 13.635 22.397 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 56 16.045 22.283 -10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.877 22.942 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.724 24.223 -10.390 1.00 0.00 H new ATOM 832 N VAL A 57 17.543 23.810 -9.412 1.00 0.00 N ATOM 833 CA VAL A 57 18.504 24.628 -8.678 1.00 0.00 C ATOM 834 C VAL A 57 18.896 25.887 -9.456 1.00 0.00 C ATOM 835 O VAL A 57 19.626 26.732 -8.941 1.00 0.00 O ATOM 836 CB VAL A 57 19.706 23.768 -8.275 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.583 23.438 -9.482 1.00 0.00 C ATOM 838 CG2 VAL A 57 20.553 24.464 -7.208 1.00 0.00 C ATOM 0 H VAL A 57 17.975 23.211 -10.116 1.00 0.00 H new ATOM 0 HA VAL A 57 18.037 24.994 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 57 19.309 22.840 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.427 22.827 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.996 22.889 -10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.952 24.362 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.398 23.829 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.921 25.413 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.944 24.646 -6.322 1.00 0.00 H new ATOM 848 N ASN A 58 18.420 26.018 -10.700 1.00 0.00 N ATOM 849 CA ASN A 58 18.790 27.105 -11.596 1.00 0.00 C ATOM 850 C ASN A 58 18.113 28.432 -11.226 1.00 0.00 C ATOM 851 O ASN A 58 17.489 29.078 -12.068 1.00 0.00 O ATOM 852 CB ASN A 58 18.486 26.687 -13.036 1.00 0.00 C ATOM 853 CG ASN A 58 19.076 27.645 -14.065 1.00 0.00 C ATOM 854 OD1 ASN A 58 19.912 28.488 -13.745 1.00 0.00 O ATOM 855 ND2 ASN A 58 18.638 27.521 -15.314 1.00 0.00 N ATOM 0 H ASN A 58 17.759 25.360 -11.112 1.00 0.00 H new ATOM 0 HA ASN A 58 19.859 27.290 -11.494 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.880 25.686 -13.210 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.406 26.633 -13.174 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.996 28.137 -16.044 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.944 26.810 -15.543 1.00 0.00 H new ATOM 862 N LEU A 59 18.231 28.850 -9.962 1.00 0.00 N ATOM 863 CA LEU A 59 17.689 30.114 -9.491 1.00 0.00 C ATOM 864 C LEU A 59 18.561 31.270 -9.982 1.00 0.00 C ATOM 865 O LEU A 59 19.729 31.081 -10.322 1.00 0.00 O ATOM 866 CB LEU A 59 17.605 30.121 -7.958 1.00 0.00 C ATOM 867 CG LEU A 59 16.470 29.277 -7.356 1.00 0.00 C ATOM 868 CD1 LEU A 59 15.110 29.757 -7.856 1.00 0.00 C ATOM 869 CD2 LEU A 59 16.613 27.786 -7.660 1.00 0.00 C ATOM 0 H LEU A 59 18.709 28.313 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 59 16.683 30.237 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.553 29.762 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.486 31.151 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 59 16.539 29.409 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.323 29.144 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.963 30.798 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.071 29.672 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.783 27.242 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.605 27.632 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.553 27.419 -7.249 1.00 0.00 H new ATOM 881 N ARG A 60 17.985 32.474 -10.018 1.00 0.00 N ATOM 882 CA ARG A 60 18.672 33.677 -10.467 1.00 0.00 C ATOM 883 C ARG A 60 19.547 34.257 -9.357 1.00 0.00 C ATOM 884 O ARG A 60 19.266 34.066 -8.174 1.00 0.00 O ATOM 885 CB ARG A 60 17.658 34.712 -10.962 1.00 0.00 C ATOM 886 CG ARG A 60 16.879 34.173 -12.164 1.00 0.00 C ATOM 887 CD ARG A 60 15.910 35.229 -12.699 1.00 0.00 C ATOM 888 NE ARG A 60 16.620 36.405 -13.217 1.00 0.00 N ATOM 889 CZ ARG A 60 16.028 37.554 -13.552 1.00 0.00 C ATOM 890 NH1 ARG A 60 14.711 37.694 -13.443 1.00 0.00 N ATOM 891 NH2 ARG A 60 16.752 38.576 -13.999 1.00 0.00 N ATOM 0 H ARG A 60 17.020 32.638 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 60 19.326 33.409 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 60 16.967 34.965 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 60 18.174 35.631 -11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 60 17.573 33.878 -12.951 1.00 0.00 H new ATOM 0 HG3 ARG A 60 16.327 33.279 -11.874 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.299 34.795 -13.491 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.230 35.535 -11.904 1.00 0.00 H new ATOM 0 HE ARG A 60 17.632 36.340 -13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.142 36.919 -13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.269 38.576 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.764 38.484 -14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.295 39.452 -14.254 1.00 0.00 H new ATOM 905 N GLY A 61 20.610 34.962 -9.750 1.00 0.00 N ATOM 906 CA GLY A 61 21.516 35.605 -8.810 1.00 0.00 C ATOM 907 C GLY A 61 22.551 34.636 -8.239 1.00 0.00 C ATOM 908 O GLY A 61 23.310 35.007 -7.345 1.00 0.00 O ATOM 0 H GLY A 61 20.862 35.100 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 61 22.029 36.427 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.939 36.039 -7.993 1.00 0.00 H new ATOM 912 N GLY A 62 22.595 33.399 -8.746 1.00 0.00 N ATOM 913 CA GLY A 62 23.535 32.393 -8.276 1.00 0.00 C ATOM 914 C GLY A 62 23.093 31.771 -6.950 1.00 0.00 C ATOM 915 O GLY A 62 23.852 31.014 -6.347 1.00 0.00 O ATOM 0 H GLY A 62 21.979 33.074 -9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 62 23.635 31.610 -9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.519 32.845 -8.154 1.00 0.00 H new ATOM 919 N GLU A 63 21.875 32.082 -6.494 1.00 0.00 N ATOM 920 CA GLU A 63 21.343 31.543 -5.253 1.00 0.00 C ATOM 921 C GLU A 63 21.001 30.060 -5.415 1.00 0.00 C ATOM 922 O GLU A 63 20.962 29.537 -6.528 1.00 0.00 O ATOM 923 CB GLU A 63 20.118 32.349 -4.819 1.00 0.00 C ATOM 924 CG GLU A 63 20.510 33.796 -4.511 1.00 0.00 C ATOM 925 CD GLU A 63 19.311 34.593 -4.000 1.00 0.00 C ATOM 926 OE1 GLU A 63 18.796 35.427 -4.780 1.00 0.00 O ATOM 927 OE2 GLU A 63 18.918 34.369 -2.834 1.00 0.00 O ATOM 0 H GLU A 63 21.237 32.713 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 63 22.102 31.625 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.365 32.330 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.669 31.892 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 63 21.305 33.810 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.908 34.268 -5.410 1.00 0.00 H new ATOM 934 N LYS A 64 20.753 29.383 -4.288 1.00 0.00 N ATOM 935 CA LYS A 64 20.472 27.953 -4.266 1.00 0.00 C ATOM 936 C LYS A 64 19.124 27.671 -3.611 1.00 0.00 C ATOM 937 O LYS A 64 18.541 28.537 -2.960 1.00 0.00 O ATOM 938 CB LYS A 64 21.591 27.223 -3.514 1.00 0.00 C ATOM 939 CG LYS A 64 22.954 27.334 -4.212 1.00 0.00 C ATOM 940 CD LYS A 64 22.939 26.649 -5.583 1.00 0.00 C ATOM 941 CE LYS A 64 24.350 26.577 -6.170 1.00 0.00 C ATOM 942 NZ LYS A 64 25.227 25.731 -5.339 1.00 0.00 N ATOM 0 H LYS A 64 20.743 29.818 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 64 20.428 27.590 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 21.671 27.631 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.326 26.171 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 64 23.218 28.385 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 23.723 26.881 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.528 25.644 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.286 27.198 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.306 26.176 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.769 27.581 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.061 25.448 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 25.532 26.265 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.707 24.882 -5.038 1.00 0.00 H new ATOM 956 N SER A 65 18.641 26.443 -3.797 1.00 0.00 N ATOM 957 CA SER A 65 17.388 25.966 -3.228 1.00 0.00 C ATOM 958 C SER A 65 17.576 24.581 -2.609 1.00 0.00 C ATOM 959 O SER A 65 16.604 23.944 -2.213 1.00 0.00 O ATOM 960 CB SER A 65 16.321 25.932 -4.321 1.00 0.00 C ATOM 961 OG SER A 65 16.748 25.087 -5.371 1.00 0.00 O ATOM 0 H SER A 65 19.122 25.741 -4.359 1.00 0.00 H new ATOM 0 HA SER A 65 17.067 26.644 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.377 25.572 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.141 26.938 -4.700 1.00 0.00 H new ATOM 0 HG SER A 65 16.184 25.234 -6.159 1.00 0.00 H new ATOM 967 N THR A 66 18.823 24.112 -2.524 1.00 0.00 N ATOM 968 CA THR A 66 19.163 22.772 -2.062 1.00 0.00 C ATOM 969 C THR A 66 18.597 22.417 -0.682 1.00 0.00 C ATOM 970 O THR A 66 18.231 21.260 -0.477 1.00 0.00 O ATOM 971 CB THR A 66 20.688 22.641 -2.025 1.00 0.00 C ATOM 972 OG1 THR A 66 21.248 23.255 -3.167 1.00 0.00 O ATOM 973 CG2 THR A 66 21.109 21.175 -1.997 1.00 0.00 C ATOM 0 H THR A 66 19.639 24.668 -2.781 1.00 0.00 H new ATOM 0 HA THR A 66 18.707 22.075 -2.765 1.00 0.00 H new ATOM 0 HB THR A 66 21.048 23.131 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.224 23.170 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.197 21.109 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 66 20.695 20.694 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.736 20.672 -2.890 1.00 0.00 H new ATOM 981 N PRO A 67 18.507 23.354 0.277 1.00 0.00 N ATOM 982 CA PRO A 67 18.002 23.067 1.611 1.00 0.00 C ATOM 983 C PRO A 67 16.607 22.441 1.642 1.00 0.00 C ATOM 984 O PRO A 67 16.239 21.837 2.648 1.00 0.00 O ATOM 985 CB PRO A 67 18.003 24.407 2.342 1.00 0.00 C ATOM 986 CG PRO A 67 19.117 25.184 1.644 1.00 0.00 C ATOM 987 CD PRO A 67 18.934 24.739 0.199 1.00 0.00 C ATOM 0 HA PRO A 67 18.638 22.317 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.042 24.914 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.203 24.285 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.001 26.262 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 67 20.103 24.926 2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.190 25.352 -0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.863 24.833 -0.362 1.00 0.00 H new ATOM 995 N VAL A 68 15.817 22.569 0.568 1.00 0.00 N ATOM 996 CA VAL A 68 14.481 21.989 0.554 1.00 0.00 C ATOM 997 C VAL A 68 14.540 20.505 0.204 1.00 0.00 C ATOM 998 O VAL A 68 13.658 19.740 0.590 1.00 0.00 O ATOM 999 CB VAL A 68 13.572 22.761 -0.406 1.00 0.00 C ATOM 1000 CG1 VAL A 68 13.778 22.329 -1.858 1.00 0.00 C ATOM 1001 CG2 VAL A 68 12.107 22.529 -0.044 1.00 0.00 C ATOM 0 H VAL A 68 16.080 23.062 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 68 14.054 22.072 1.553 1.00 0.00 H new ATOM 0 HB VAL A 68 13.831 23.815 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.114 22.901 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.813 22.510 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.554 21.267 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.470 23.083 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.879 21.465 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.925 22.873 0.974 1.00 0.00 H new ATOM 1011 N ALA A 69 15.576 20.086 -0.527 1.00 0.00 N ATOM 1012 CA ALA A 69 15.750 18.688 -0.886 1.00 0.00 C ATOM 1013 C ALA A 69 16.248 17.908 0.326 1.00 0.00 C ATOM 1014 O ALA A 69 15.931 16.733 0.486 1.00 0.00 O ATOM 1015 CB ALA A 69 16.744 18.594 -2.041 1.00 0.00 C ATOM 0 H ALA A 69 16.307 20.703 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 69 14.800 18.258 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.882 17.549 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.361 19.149 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.700 19.017 -1.733 1.00 0.00 H new ATOM 1021 N GLU A 70 17.029 18.568 1.186 1.00 0.00 N ATOM 1022 CA GLU A 70 17.550 17.949 2.393 1.00 0.00 C ATOM 1023 C GLU A 70 16.479 17.920 3.487 1.00 0.00 C ATOM 1024 O GLU A 70 16.597 17.165 4.450 1.00 0.00 O ATOM 1025 CB GLU A 70 18.822 18.677 2.831 1.00 0.00 C ATOM 1026 CG GLU A 70 19.913 18.457 1.780 1.00 0.00 C ATOM 1027 CD GLU A 70 21.213 19.153 2.168 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.476 20.248 1.624 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.944 18.584 3.009 1.00 0.00 O ATOM 0 H GLU A 70 17.312 19.540 1.060 1.00 0.00 H new ATOM 0 HA GLU A 70 17.816 16.911 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.624 19.742 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.153 18.305 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.093 17.389 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.572 18.833 0.816 1.00 0.00 H new ATOM 1036 N ALA A 71 15.432 18.737 3.342 1.00 0.00 N ATOM 1037 CA ALA A 71 14.284 18.670 4.231 1.00 0.00 C ATOM 1038 C ALA A 71 13.429 17.465 3.849 1.00 0.00 C ATOM 1039 O ALA A 71 12.807 16.838 4.706 1.00 0.00 O ATOM 1040 CB ALA A 71 13.490 19.974 4.133 1.00 0.00 C ATOM 0 H ALA A 71 15.362 19.450 2.616 1.00 0.00 H new ATOM 0 HA ALA A 71 14.607 18.548 5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.628 19.926 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.126 20.810 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.149 20.116 3.108 1.00 0.00 H new ATOM 1046 N LEU A 72 13.396 17.128 2.556 1.00 0.00 N ATOM 1047 CA LEU A 72 12.715 15.927 2.100 1.00 0.00 C ATOM 1048 C LEU A 72 13.542 14.699 2.478 1.00 0.00 C ATOM 1049 O LEU A 72 12.983 13.620 2.646 1.00 0.00 O ATOM 1050 CB LEU A 72 12.507 15.992 0.582 1.00 0.00 C ATOM 1051 CG LEU A 72 11.509 17.081 0.177 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.426 17.129 -1.348 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.112 16.804 0.733 1.00 0.00 C ATOM 0 H LEU A 72 13.834 17.673 1.813 1.00 0.00 H new ATOM 0 HA LEU A 72 11.739 15.855 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.464 16.180 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.151 15.026 0.225 1.00 0.00 H new ATOM 0 HG LEU A 72 11.858 18.030 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.718 17.901 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.409 17.358 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.091 16.163 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.433 17.599 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.751 15.849 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.155 16.766 1.822 1.00 0.00 H new ATOM 1065 N ALA A 73 14.862 14.853 2.620 1.00 0.00 N ATOM 1066 CA ALA A 73 15.714 13.760 3.060 1.00 0.00 C ATOM 1067 C ALA A 73 15.499 13.484 4.549 1.00 0.00 C ATOM 1068 O ALA A 73 15.745 12.370 5.010 1.00 0.00 O ATOM 1069 CB ALA A 73 17.173 14.108 2.769 1.00 0.00 C ATOM 0 H ALA A 73 15.357 15.725 2.435 1.00 0.00 H new ATOM 0 HA ALA A 73 15.455 12.853 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.815 13.290 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.303 14.263 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.443 15.019 3.303 1.00 0.00 H new ATOM 1075 N ALA A 74 15.035 14.488 5.304 1.00 0.00 N ATOM 1076 CA ALA A 74 14.680 14.304 6.705 1.00 0.00 C ATOM 1077 C ALA A 74 13.306 13.643 6.814 1.00 0.00 C ATOM 1078 O ALA A 74 12.965 13.086 7.855 1.00 0.00 O ATOM 1079 CB ALA A 74 14.714 15.657 7.414 1.00 0.00 C ATOM 0 H ALA A 74 14.898 15.438 4.960 1.00 0.00 H new ATOM 0 HA ALA A 74 15.400 13.645 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.449 15.525 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.716 16.080 7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.001 16.333 6.942 1.00 0.00 H new ATOM 1085 N ARG A 75 12.518 13.703 5.732 1.00 0.00 N ATOM 1086 CA ARG A 75 11.246 13.003 5.623 1.00 0.00 C ATOM 1087 C ARG A 75 11.423 11.646 4.938 1.00 0.00 C ATOM 1088 O ARG A 75 10.438 10.981 4.635 1.00 0.00 O ATOM 1089 CB ARG A 75 10.228 13.876 4.882 1.00 0.00 C ATOM 1090 CG ARG A 75 9.923 15.149 5.670 1.00 0.00 C ATOM 1091 CD ARG A 75 8.912 16.006 4.907 1.00 0.00 C ATOM 1092 NE ARG A 75 8.588 17.232 5.641 1.00 0.00 N ATOM 1093 CZ ARG A 75 7.605 17.339 6.541 1.00 0.00 C ATOM 1094 NH1 ARG A 75 6.821 16.303 6.825 1.00 0.00 N ATOM 1095 NH2 ARG A 75 7.400 18.494 7.164 1.00 0.00 N ATOM 0 H ARG A 75 12.755 14.247 4.902 1.00 0.00 H new ATOM 0 HA ARG A 75 10.865 12.811 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.616 14.137 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.308 13.313 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.527 14.892 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.841 15.714 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.316 16.263 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.002 15.431 4.736 1.00 0.00 H new ATOM 0 HE ARG A 75 9.151 18.061 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.965 15.410 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.076 16.401 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.992 19.298 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.650 18.577 7.851 1.00 0.00 H new ATOM 1109 N ASP A 76 12.673 11.241 4.698 1.00 0.00 N ATOM 1110 CA ASP A 76 13.021 9.990 4.032 1.00 0.00 C ATOM 1111 C ASP A 76 12.429 9.874 2.621 1.00 0.00 C ATOM 1112 O ASP A 76 12.151 8.774 2.148 1.00 0.00 O ATOM 1113 CB ASP A 76 12.687 8.803 4.943 1.00 0.00 C ATOM 1114 CG ASP A 76 13.293 7.497 4.430 1.00 0.00 C ATOM 1115 OD1 ASP A 76 14.494 7.517 4.070 1.00 0.00 O ATOM 1116 OD2 ASP A 76 12.555 6.486 4.400 1.00 0.00 O ATOM 0 H ASP A 76 13.489 11.790 4.969 1.00 0.00 H new ATOM 0 HA ASP A 76 14.098 9.981 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.056 9.003 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.605 8.696 5.016 1.00 0.00 H new ATOM 1121 N ILE A 77 12.236 11.014 1.946 1.00 0.00 N ATOM 1122 CA ILE A 77 11.747 11.057 0.574 1.00 0.00 C ATOM 1123 C ILE A 77 12.924 11.336 -0.370 1.00 0.00 C ATOM 1124 O ILE A 77 13.661 12.296 -0.153 1.00 0.00 O ATOM 1125 CB ILE A 77 10.653 12.124 0.443 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.462 11.766 1.344 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.190 12.241 -1.011 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.380 12.845 1.322 1.00 0.00 C ATOM 0 H ILE A 77 12.418 11.935 2.345 1.00 0.00 H new ATOM 0 HA ILE A 77 11.307 10.098 0.302 1.00 0.00 H new ATOM 0 HB ILE A 77 11.064 13.084 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.034 10.818 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.811 11.624 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.414 13.003 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.035 12.521 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.791 11.283 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.558 12.549 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.799 13.788 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.010 12.969 0.304 1.00 0.00 H new ATOM 1140 N PRO A 78 13.114 10.513 -1.410 1.00 0.00 N ATOM 1141 CA PRO A 78 14.180 10.676 -2.385 1.00 0.00 C ATOM 1142 C PRO A 78 13.892 11.828 -3.345 1.00 0.00 C ATOM 1143 O PRO A 78 12.744 12.233 -3.516 1.00 0.00 O ATOM 1144 CB PRO A 78 14.237 9.343 -3.131 1.00 0.00 C ATOM 1145 CG PRO A 78 12.777 8.888 -3.103 1.00 0.00 C ATOM 1146 CD PRO A 78 12.309 9.345 -1.727 1.00 0.00 C ATOM 0 HA PRO A 78 15.128 10.922 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.606 9.463 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.895 8.628 -2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.195 9.347 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.687 7.808 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.247 9.591 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.448 8.559 -0.984 1.00 0.00 H new ATOM 1154 N PHE A 79 14.946 12.356 -3.975 1.00 0.00 N ATOM 1155 CA PHE A 79 14.811 13.461 -4.912 1.00 0.00 C ATOM 1156 C PHE A 79 15.894 13.431 -5.986 1.00 0.00 C ATOM 1157 O PHE A 79 16.869 12.683 -5.881 1.00 0.00 O ATOM 1158 CB PHE A 79 14.867 14.784 -4.141 1.00 0.00 C ATOM 1159 CG PHE A 79 16.171 15.018 -3.406 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.293 15.500 -4.098 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.256 14.762 -2.032 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.497 15.724 -3.415 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.458 14.996 -1.351 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.575 15.480 -2.038 1.00 0.00 C ATOM 0 H PHE A 79 15.904 12.030 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 79 13.851 13.365 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.703 15.606 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.048 14.808 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.229 15.699 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.396 14.385 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.363 16.084 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.522 14.802 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.497 15.666 -1.508 1.00 0.00 H new ATOM 1174 N VAL A 80 15.717 14.252 -7.024 1.00 0.00 N ATOM 1175 CA VAL A 80 16.669 14.406 -8.115 1.00 0.00 C ATOM 1176 C VAL A 80 16.802 15.889 -8.449 1.00 0.00 C ATOM 1177 O VAL A 80 15.832 16.641 -8.335 1.00 0.00 O ATOM 1178 CB VAL A 80 16.200 13.605 -9.338 1.00 0.00 C ATOM 1179 CG1 VAL A 80 17.192 13.744 -10.491 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.076 12.118 -8.998 1.00 0.00 C ATOM 0 H VAL A 80 14.889 14.838 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 80 17.644 14.021 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 80 15.229 14.004 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.839 13.168 -11.346 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.279 14.794 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.167 13.370 -10.179 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.742 11.570 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.045 11.736 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.352 11.988 -8.194 1.00 0.00 H new ATOM 1190 N PHE A 81 17.996 16.316 -8.864 1.00 0.00 N ATOM 1191 CA PHE A 81 18.236 17.707 -9.219 1.00 0.00 C ATOM 1192 C PHE A 81 17.951 17.958 -10.696 1.00 0.00 C ATOM 1193 O PHE A 81 17.973 17.039 -11.512 1.00 0.00 O ATOM 1194 CB PHE A 81 19.686 18.087 -8.916 1.00 0.00 C ATOM 1195 CG PHE A 81 20.102 18.068 -7.461 1.00 0.00 C ATOM 1196 CD1 PHE A 81 19.218 18.480 -6.451 1.00 0.00 C ATOM 1197 CD2 PHE A 81 21.399 17.655 -7.126 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.639 18.486 -5.114 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.821 17.670 -5.790 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.940 18.086 -4.781 1.00 0.00 C ATOM 0 H PHE A 81 18.812 15.712 -8.961 1.00 0.00 H new ATOM 0 HA PHE A 81 17.561 18.321 -8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.338 17.408 -9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.865 19.088 -9.308 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.215 18.792 -6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 81 22.075 17.324 -7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.958 18.800 -4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.825 17.361 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.263 18.098 -3.751 1.00 0.00 H new ATOM 1210 N ALA A 82 17.689 19.223 -11.028 1.00 0.00 N ATOM 1211 CA ALA A 82 17.522 19.675 -12.397 1.00 0.00 C ATOM 1212 C ALA A 82 18.206 21.032 -12.558 1.00 0.00 C ATOM 1213 O ALA A 82 18.195 21.843 -11.633 1.00 0.00 O ATOM 1214 CB ALA A 82 16.034 19.751 -12.741 1.00 0.00 C ATOM 0 H ALA A 82 17.587 19.968 -10.339 1.00 0.00 H new ATOM 0 HA ALA A 82 17.984 18.970 -13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.915 20.091 -13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.584 18.764 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.540 20.452 -12.068 1.00 0.00 H new ATOM 1220 N THR A 83 18.797 21.282 -13.727 1.00 0.00 N ATOM 1221 CA THR A 83 19.498 22.532 -13.992 1.00 0.00 C ATOM 1222 C THR A 83 19.685 22.746 -15.494 1.00 0.00 C ATOM 1223 O THR A 83 19.366 21.870 -16.296 1.00 0.00 O ATOM 1224 CB THR A 83 20.856 22.506 -13.278 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.462 23.781 -13.361 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.794 21.467 -13.888 1.00 0.00 C ATOM 0 H THR A 83 18.802 20.627 -14.509 1.00 0.00 H new ATOM 0 HA THR A 83 18.903 23.363 -13.613 1.00 0.00 H new ATOM 0 HB THR A 83 20.678 22.238 -12.237 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.328 23.762 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.745 21.479 -13.356 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.344 20.478 -13.806 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.963 21.702 -14.939 1.00 0.00 H new ATOM 1234 N GLY A 84 20.208 23.915 -15.874 1.00 0.00 N ATOM 1235 CA GLY A 84 20.532 24.235 -17.253 1.00 0.00 C ATOM 1236 C GLY A 84 21.489 25.422 -17.293 1.00 0.00 C ATOM 1237 O GLY A 84 21.137 26.519 -16.859 1.00 0.00 O ATOM 0 H GLY A 84 20.418 24.669 -15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.987 23.372 -17.740 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.622 24.470 -17.806 1.00 0.00 H new ATOM 1241 N GLY A 85 22.695 25.198 -17.816 1.00 0.00 N ATOM 1242 CA GLY A 85 23.729 26.221 -17.879 1.00 0.00 C ATOM 1243 C GLY A 85 25.116 25.587 -17.824 1.00 0.00 C ATOM 1244 O GLY A 85 25.275 24.402 -18.114 1.00 0.00 O ATOM 0 H GLY A 85 22.979 24.300 -18.207 1.00 0.00 H new ATOM 0 HA2 GLY A 85 23.623 26.797 -18.798 1.00 0.00 H new ATOM 0 HA3 GLY A 85 23.609 26.919 -17.050 1.00 0.00 H new ATOM 1248 N SER A 86 26.120 26.380 -17.448 1.00 0.00 N ATOM 1249 CA SER A 86 27.491 25.905 -17.298 1.00 0.00 C ATOM 1250 C SER A 86 27.608 25.002 -16.069 1.00 0.00 C ATOM 1251 O SER A 86 26.768 25.048 -15.172 1.00 0.00 O ATOM 1252 CB SER A 86 28.443 27.093 -17.199 1.00 0.00 C ATOM 1253 OG SER A 86 28.329 27.911 -18.348 1.00 0.00 O ATOM 0 H SER A 86 26.002 27.371 -17.239 1.00 0.00 H new ATOM 0 HA SER A 86 27.765 25.317 -18.174 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.217 27.675 -16.306 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.469 26.738 -17.097 1.00 0.00 H new ATOM 0 HG SER A 86 28.944 28.670 -18.271 1.00 0.00 H new ATOM 1259 N ASP A 87 28.659 24.175 -16.024 1.00 0.00 N ATOM 1260 CA ASP A 87 28.824 23.183 -14.968 1.00 0.00 C ATOM 1261 C ASP A 87 29.234 23.811 -13.636 1.00 0.00 C ATOM 1262 O ASP A 87 29.208 23.135 -12.608 1.00 0.00 O ATOM 1263 CB ASP A 87 29.840 22.131 -15.416 1.00 0.00 C ATOM 1264 CG ASP A 87 31.245 22.711 -15.541 1.00 0.00 C ATOM 1265 OD1 ASP A 87 31.483 23.447 -16.525 1.00 0.00 O ATOM 1266 OD2 ASP A 87 32.073 22.415 -14.651 1.00 0.00 O ATOM 0 H ASP A 87 29.410 24.178 -16.714 1.00 0.00 H new ATOM 0 HA ASP A 87 27.858 22.708 -14.796 1.00 0.00 H new ATOM 0 HB2 ASP A 87 29.850 21.308 -14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 87 29.533 21.715 -16.376 1.00 0.00 H new ATOM 1271 N ASP A 88 29.615 25.093 -13.634 1.00 0.00 N ATOM 1272 CA ASP A 88 29.991 25.786 -12.408 1.00 0.00 C ATOM 1273 C ASP A 88 28.760 26.259 -11.632 1.00 0.00 C ATOM 1274 O ASP A 88 28.890 26.839 -10.553 1.00 0.00 O ATOM 1275 CB ASP A 88 30.938 26.942 -12.732 1.00 0.00 C ATOM 1276 CG ASP A 88 30.264 28.002 -13.598 1.00 0.00 C ATOM 1277 OD1 ASP A 88 29.685 28.946 -13.017 1.00 0.00 O ATOM 1278 OD2 ASP A 88 30.334 27.857 -14.839 1.00 0.00 O ATOM 0 H ASP A 88 29.670 25.669 -14.474 1.00 0.00 H new ATOM 0 HA ASP A 88 30.517 25.086 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.286 27.398 -11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.818 26.557 -13.248 1.00 0.00 H new ATOM 1283 N SER A 89 27.562 26.018 -12.178 1.00 0.00 N ATOM 1284 CA SER A 89 26.314 26.382 -11.527 1.00 0.00 C ATOM 1285 C SER A 89 25.950 25.370 -10.439 1.00 0.00 C ATOM 1286 O SER A 89 24.996 25.579 -9.687 1.00 0.00 O ATOM 1287 CB SER A 89 25.211 26.482 -12.583 1.00 0.00 C ATOM 1288 OG SER A 89 24.028 27.007 -12.015 1.00 0.00 O ATOM 0 H SER A 89 27.439 25.565 -13.084 1.00 0.00 H new ATOM 0 HA SER A 89 26.429 27.350 -11.039 1.00 0.00 H new ATOM 0 HB2 SER A 89 25.541 27.119 -13.403 1.00 0.00 H new ATOM 0 HB3 SER A 89 25.013 25.497 -13.005 1.00 0.00 H new ATOM 0 HG SER A 89 23.931 26.677 -11.097 1.00 0.00 H new ATOM 1294 N VAL A 90 26.708 24.271 -10.351 1.00 0.00 N ATOM 1295 CA VAL A 90 26.477 23.213 -9.375 1.00 0.00 C ATOM 1296 C VAL A 90 27.793 22.776 -8.739 1.00 0.00 C ATOM 1297 O VAL A 90 28.859 22.913 -9.336 1.00 0.00 O ATOM 1298 CB VAL A 90 25.763 22.024 -10.019 1.00 0.00 C ATOM 1299 CG1 VAL A 90 24.340 22.400 -10.427 1.00 0.00 C ATOM 1300 CG2 VAL A 90 26.517 21.497 -11.241 1.00 0.00 C ATOM 0 H VAL A 90 27.505 24.094 -10.963 1.00 0.00 H new ATOM 0 HA VAL A 90 25.831 23.607 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 90 25.730 21.234 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 90 23.852 21.538 -10.883 1.00 0.00 H new ATOM 0 HG12 VAL A 90 23.779 22.710 -9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.372 23.220 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 90 25.975 20.653 -11.667 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.600 22.288 -11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.514 21.174 -10.942 1.00 0.00 H new ATOM 1310 N ASP A 91 27.710 22.243 -7.517 1.00 0.00 N ATOM 1311 CA ASP A 91 28.865 21.829 -6.734 1.00 0.00 C ATOM 1312 C ASP A 91 28.990 20.306 -6.689 1.00 0.00 C ATOM 1313 O ASP A 91 28.187 19.587 -7.285 1.00 0.00 O ATOM 1314 CB ASP A 91 28.750 22.427 -5.334 1.00 0.00 C ATOM 1315 CG ASP A 91 28.782 23.953 -5.384 1.00 0.00 C ATOM 1316 OD1 ASP A 91 27.691 24.555 -5.500 1.00 0.00 O ATOM 1317 OD2 ASP A 91 29.903 24.506 -5.307 1.00 0.00 O ATOM 0 H ASP A 91 26.821 22.087 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 91 29.775 22.199 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.822 22.095 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.567 22.063 -4.711 1.00 0.00 H new ATOM 1322 N SER A 92 30.001 19.806 -5.973 1.00 0.00 N ATOM 1323 CA SER A 92 30.290 18.382 -5.902 1.00 0.00 C ATOM 1324 C SER A 92 29.134 17.568 -5.325 1.00 0.00 C ATOM 1325 O SER A 92 29.075 16.357 -5.536 1.00 0.00 O ATOM 1326 CB SER A 92 31.551 18.170 -5.061 1.00 0.00 C ATOM 1327 OG SER A 92 31.345 18.675 -3.757 1.00 0.00 O ATOM 0 H SER A 92 30.640 20.384 -5.427 1.00 0.00 H new ATOM 0 HA SER A 92 30.443 18.026 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.795 17.109 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 32.399 18.673 -5.526 1.00 0.00 H new ATOM 0 HG SER A 92 32.154 18.536 -3.221 1.00 0.00 H new ATOM 1333 N ARG A 93 28.207 18.210 -4.601 1.00 0.00 N ATOM 1334 CA ARG A 93 27.055 17.512 -4.044 1.00 0.00 C ATOM 1335 C ARG A 93 26.099 17.098 -5.162 1.00 0.00 C ATOM 1336 O ARG A 93 25.370 16.119 -5.023 1.00 0.00 O ATOM 1337 CB ARG A 93 26.345 18.407 -3.023 1.00 0.00 C ATOM 1338 CG ARG A 93 27.323 18.917 -1.959 1.00 0.00 C ATOM 1339 CD ARG A 93 26.571 19.652 -0.847 1.00 0.00 C ATOM 1340 NE ARG A 93 25.877 18.705 0.035 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.736 18.954 0.684 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.102 20.116 0.548 1.00 0.00 N ATOM 1343 NH2 ARG A 93 24.220 18.031 1.485 1.00 0.00 N ATOM 0 H ARG A 93 28.238 19.208 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 93 27.395 16.610 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.886 19.253 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.540 17.849 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 93 27.880 18.080 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 93 28.051 19.586 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 93 27.271 20.251 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 93 25.850 20.342 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 93 26.299 17.785 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.486 20.838 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.232 20.284 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.694 17.136 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.349 18.217 1.983 1.00 0.00 H new ATOM 1357 N PHE A 94 26.114 17.845 -6.269 1.00 0.00 N ATOM 1358 CA PHE A 94 25.290 17.577 -7.435 1.00 0.00 C ATOM 1359 C PHE A 94 26.024 16.640 -8.384 1.00 0.00 C ATOM 1360 O PHE A 94 25.410 16.025 -9.251 1.00 0.00 O ATOM 1361 CB PHE A 94 24.985 18.887 -8.158 1.00 0.00 C ATOM 1362 CG PHE A 94 24.330 19.954 -7.310 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.981 20.276 -7.508 1.00 0.00 C ATOM 1364 CD2 PHE A 94 25.070 20.629 -6.327 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.371 21.262 -6.721 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.461 21.618 -5.544 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.108 21.935 -5.739 1.00 0.00 C ATOM 0 H PHE A 94 26.711 18.665 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 94 24.360 17.110 -7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.916 19.286 -8.561 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.337 18.672 -9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.410 19.764 -8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 94 26.111 20.385 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.329 21.504 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 94 25.033 22.137 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.637 22.695 -5.134 1.00 0.00 H new ATOM 1377 N ARG A 95 27.346 16.531 -8.222 1.00 0.00 N ATOM 1378 CA ARG A 95 28.160 15.629 -9.022 1.00 0.00 C ATOM 1379 C ARG A 95 28.219 14.242 -8.380 1.00 0.00 C ATOM 1380 O ARG A 95 28.721 13.301 -8.994 1.00 0.00 O ATOM 1381 CB ARG A 95 29.548 16.242 -9.221 1.00 0.00 C ATOM 1382 CG ARG A 95 29.418 17.616 -9.892 1.00 0.00 C ATOM 1383 CD ARG A 95 30.792 18.224 -10.154 1.00 0.00 C ATOM 1384 NE ARG A 95 30.660 19.545 -10.787 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.454 20.014 -11.754 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.477 19.295 -12.214 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.227 21.219 -12.265 1.00 0.00 N ATOM 0 H ARG A 95 27.875 17.066 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 95 27.708 15.496 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 95 30.052 16.343 -8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.162 15.584 -9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.874 17.517 -10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.836 18.283 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.340 18.317 -9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.372 17.562 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 95 29.905 20.149 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.665 18.370 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.072 19.670 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 30.450 21.781 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.830 21.582 -13.003 1.00 0.00 H new ATOM 1401 N ASP A 96 27.704 14.116 -7.152 1.00 0.00 N ATOM 1402 CA ASP A 96 27.577 12.840 -6.458 1.00 0.00 C ATOM 1403 C ASP A 96 26.121 12.360 -6.461 1.00 0.00 C ATOM 1404 O ASP A 96 25.864 11.172 -6.261 1.00 0.00 O ATOM 1405 CB ASP A 96 28.107 13.008 -5.030 1.00 0.00 C ATOM 1406 CG ASP A 96 28.093 11.689 -4.260 1.00 0.00 C ATOM 1407 OD1 ASP A 96 27.319 11.598 -3.280 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.854 10.779 -4.656 1.00 0.00 O ATOM 0 H ASP A 96 27.361 14.909 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 96 28.163 12.078 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 96 29.124 13.398 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.501 13.744 -4.502 1.00 0.00 H new ATOM 1413 N ARG A 97 25.172 13.273 -6.689 1.00 0.00 N ATOM 1414 CA ARG A 97 23.749 12.963 -6.793 1.00 0.00 C ATOM 1415 C ARG A 97 23.314 12.984 -8.259 1.00 0.00 C ATOM 1416 O ARG A 97 24.007 13.565 -9.090 1.00 0.00 O ATOM 1417 CB ARG A 97 22.966 13.972 -5.948 1.00 0.00 C ATOM 1418 CG ARG A 97 23.229 13.712 -4.464 1.00 0.00 C ATOM 1419 CD ARG A 97 22.576 14.796 -3.605 1.00 0.00 C ATOM 1420 NE ARG A 97 22.801 14.548 -2.177 1.00 0.00 N ATOM 1421 CZ ARG A 97 23.977 14.690 -1.561 1.00 0.00 C ATOM 1422 NH1 ARG A 97 25.058 15.083 -2.232 1.00 0.00 N ATOM 1423 NH2 ARG A 97 24.076 14.438 -0.259 1.00 0.00 N ATOM 0 H ARG A 97 25.378 14.265 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 97 23.547 11.962 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 97 23.264 14.988 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.900 13.888 -6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.837 12.734 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 97 24.303 13.690 -4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.981 15.771 -3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.505 14.828 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 97 22.004 14.246 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 97 24.995 15.280 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 97 25.949 15.187 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.255 14.137 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 97 24.973 14.546 0.215 1.00 0.00 H new ATOM 1437 N PRO A 98 22.177 12.363 -8.598 1.00 0.00 N ATOM 1438 CA PRO A 98 21.651 12.364 -9.955 1.00 0.00 C ATOM 1439 C PRO A 98 21.211 13.768 -10.366 1.00 0.00 C ATOM 1440 O PRO A 98 20.808 14.572 -9.526 1.00 0.00 O ATOM 1441 CB PRO A 98 20.480 11.378 -9.936 1.00 0.00 C ATOM 1442 CG PRO A 98 20.003 11.439 -8.485 1.00 0.00 C ATOM 1443 CD PRO A 98 21.310 11.604 -7.717 1.00 0.00 C ATOM 0 HA PRO A 98 22.401 12.066 -10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.694 11.671 -10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 98 20.794 10.372 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.324 12.275 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 98 19.472 10.533 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.149 12.129 -6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.748 10.636 -7.472 1.00 0.00 H new ATOM 1451 N VAL A 99 21.288 14.053 -11.668 1.00 0.00 N ATOM 1452 CA VAL A 99 20.975 15.361 -12.235 1.00 0.00 C ATOM 1453 C VAL A 99 20.250 15.207 -13.571 1.00 0.00 C ATOM 1454 O VAL A 99 20.405 14.199 -14.257 1.00 0.00 O ATOM 1455 CB VAL A 99 22.246 16.199 -12.431 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.902 16.531 -11.095 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.262 15.475 -13.316 1.00 0.00 C ATOM 0 H VAL A 99 21.575 13.368 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 99 20.323 15.878 -11.531 1.00 0.00 H new ATOM 0 HB VAL A 99 21.939 17.123 -12.921 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.799 17.125 -11.268 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.205 17.098 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 99 23.171 15.607 -10.583 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.150 16.096 -13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.540 14.529 -12.851 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.821 15.283 -14.294 1.00 0.00 H new ATOM 1467 N LEU A 100 19.457 16.224 -13.928 1.00 0.00 N ATOM 1468 CA LEU A 100 18.725 16.275 -15.184 1.00 0.00 C ATOM 1469 C LEU A 100 18.880 17.655 -15.820 1.00 0.00 C ATOM 1470 O LEU A 100 19.106 18.644 -15.125 1.00 0.00 O ATOM 1471 CB LEU A 100 17.242 15.986 -14.929 1.00 0.00 C ATOM 1472 CG LEU A 100 16.976 14.544 -14.484 1.00 0.00 C ATOM 1473 CD1 LEU A 100 15.506 14.407 -14.093 1.00 0.00 C ATOM 1474 CD2 LEU A 100 17.274 13.560 -15.614 1.00 0.00 C ATOM 0 H LEU A 100 19.308 17.043 -13.339 1.00 0.00 H new ATOM 0 HA LEU A 100 19.127 15.523 -15.863 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.871 16.669 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.677 16.189 -15.839 1.00 0.00 H new ATOM 0 HG LEU A 100 17.625 14.318 -13.638 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.308 13.383 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.282 15.091 -13.275 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.877 14.649 -14.950 1.00 0.00 H new ATOM 0 HD21 LEU A 100 17.077 12.544 -15.273 1.00 0.00 H new ATOM 0 HD22 LEU A 100 16.637 13.785 -16.470 1.00 0.00 H new ATOM 0 HD23 LEU A 100 18.320 13.648 -15.907 1.00 0.00 H new ATOM 1486 N GLN A 101 18.756 17.717 -17.145 1.00 0.00 N ATOM 1487 CA GLN A 101 18.780 18.975 -17.874 1.00 0.00 C ATOM 1488 C GLN A 101 17.375 19.578 -17.889 1.00 0.00 C ATOM 1489 O GLN A 101 16.402 18.875 -17.620 1.00 0.00 O ATOM 1490 CB GLN A 101 19.358 18.772 -19.278 1.00 0.00 C ATOM 1491 CG GLN A 101 18.381 18.097 -20.247 1.00 0.00 C ATOM 1492 CD GLN A 101 18.080 16.642 -19.908 1.00 0.00 C ATOM 1493 OE1 GLN A 101 18.870 15.953 -19.267 1.00 0.00 O ATOM 1494 NE2 GLN A 101 16.920 16.157 -20.341 1.00 0.00 N ATOM 0 H GLN A 101 18.637 16.896 -17.738 1.00 0.00 H new ATOM 0 HA GLN A 101 19.437 19.686 -17.373 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.652 19.739 -19.685 1.00 0.00 H new ATOM 0 HB3 GLN A 101 20.263 18.168 -19.207 1.00 0.00 H new ATOM 0 HG2 GLN A 101 17.447 18.659 -20.255 1.00 0.00 H new ATOM 0 HG3 GLN A 101 18.792 18.147 -21.255 1.00 0.00 H new ATOM 0 HE21 GLN A 101 16.284 16.753 -20.871 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.666 15.189 -20.143 1.00 0.00 H new ATOM 1503 N LYS A 102 17.254 20.873 -18.200 1.00 0.00 N ATOM 1504 CA LYS A 102 15.962 21.549 -18.161 1.00 0.00 C ATOM 1505 C LYS A 102 15.019 21.118 -19.293 1.00 0.00 C ATOM 1506 O LYS A 102 13.859 20.819 -19.006 1.00 0.00 O ATOM 1507 CB LYS A 102 16.182 23.063 -18.130 1.00 0.00 C ATOM 1508 CG LYS A 102 14.868 23.778 -17.804 1.00 0.00 C ATOM 1509 CD LYS A 102 15.083 25.287 -17.671 1.00 0.00 C ATOM 1510 CE LYS A 102 15.477 25.907 -19.012 1.00 0.00 C ATOM 1511 NZ LYS A 102 15.617 27.371 -18.897 1.00 0.00 N ATOM 0 H LYS A 102 18.034 21.468 -18.480 1.00 0.00 H new ATOM 0 HA LYS A 102 15.452 21.248 -17.246 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.936 23.314 -17.384 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.561 23.403 -19.094 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.137 23.579 -18.588 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.455 23.383 -16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.170 25.757 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.861 25.483 -16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.417 25.474 -19.355 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.724 25.668 -19.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.649 27.792 -19.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.805 27.757 -18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.496 27.597 -18.389 1.00 0.00 H new ATOM 1525 N PRO A 103 15.458 21.071 -20.563 1.00 0.00 N ATOM 1526 CA PRO A 103 14.602 20.637 -21.656 1.00 0.00 C ATOM 1527 C PRO A 103 14.458 19.116 -21.673 1.00 0.00 C ATOM 1528 O PRO A 103 15.428 18.392 -21.458 1.00 0.00 O ATOM 1529 CB PRO A 103 15.292 21.146 -22.920 1.00 0.00 C ATOM 1530 CG PRO A 103 16.769 21.068 -22.541 1.00 0.00 C ATOM 1531 CD PRO A 103 16.770 21.445 -21.062 1.00 0.00 C ATOM 0 HA PRO A 103 13.588 21.027 -21.563 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.062 20.526 -23.786 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.989 22.164 -23.167 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.174 20.069 -22.702 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.373 21.756 -23.132 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.559 20.919 -20.524 1.00 0.00 H new ATOM 0 HD3 PRO A 103 16.950 22.512 -20.929 1.00 0.00 H new ATOM 1539 N PHE A 104 13.242 18.626 -21.932 1.00 0.00 N ATOM 1540 CA PHE A 104 12.961 17.196 -22.004 1.00 0.00 C ATOM 1541 C PHE A 104 12.627 16.788 -23.437 1.00 0.00 C ATOM 1542 O PHE A 104 12.221 17.614 -24.254 1.00 0.00 O ATOM 1543 CB PHE A 104 11.795 16.831 -21.076 1.00 0.00 C ATOM 1544 CG PHE A 104 12.095 16.706 -19.594 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.121 16.147 -18.749 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.318 17.132 -19.051 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.369 16.021 -17.376 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.559 17.019 -17.676 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.583 16.466 -16.838 1.00 0.00 C ATOM 0 H PHE A 104 12.425 19.214 -22.097 1.00 0.00 H new ATOM 0 HA PHE A 104 13.852 16.658 -21.682 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.017 17.585 -21.200 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.378 15.883 -21.416 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.179 15.814 -19.159 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.077 17.549 -19.697 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.623 15.580 -16.732 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.497 17.358 -17.262 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.766 16.383 -15.777 1.00 0.00 H new ATOM 1559 N THR A 105 12.806 15.498 -23.726 1.00 0.00 N ATOM 1560 CA THR A 105 12.481 14.881 -25.007 1.00 0.00 C ATOM 1561 C THR A 105 11.891 13.503 -24.731 1.00 0.00 C ATOM 1562 O THR A 105 12.014 12.997 -23.616 1.00 0.00 O ATOM 1563 CB THR A 105 13.726 14.762 -25.891 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.701 13.979 -25.238 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.322 16.135 -26.204 1.00 0.00 C ATOM 0 H THR A 105 13.193 14.836 -23.053 1.00 0.00 H new ATOM 0 HA THR A 105 11.761 15.501 -25.542 1.00 0.00 H new ATOM 0 HB THR A 105 13.426 14.291 -26.827 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.495 13.904 -25.807 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.204 16.014 -26.833 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.583 16.742 -26.728 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.604 16.630 -25.275 1.00 0.00 H new ATOM 1573 N MET A 106 11.254 12.875 -25.725 1.00 0.00 N ATOM 1574 CA MET A 106 10.616 11.579 -25.524 1.00 0.00 C ATOM 1575 C MET A 106 11.635 10.521 -25.104 1.00 0.00 C ATOM 1576 O MET A 106 11.323 9.655 -24.288 1.00 0.00 O ATOM 1577 CB MET A 106 9.916 11.148 -26.814 1.00 0.00 C ATOM 1578 CG MET A 106 8.763 12.088 -27.166 1.00 0.00 C ATOM 1579 SD MET A 106 7.402 12.074 -25.970 1.00 0.00 S ATOM 1580 CE MET A 106 6.315 13.289 -26.762 1.00 0.00 C ATOM 0 H MET A 106 11.169 13.245 -26.672 1.00 0.00 H new ATOM 0 HA MET A 106 9.883 11.676 -24.723 1.00 0.00 H new ATOM 0 HB2 MET A 106 10.636 11.131 -27.632 1.00 0.00 H new ATOM 0 HB3 MET A 106 9.537 10.132 -26.702 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.149 13.104 -27.248 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.373 11.815 -28.147 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.413 13.415 -26.163 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.834 14.244 -26.842 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.043 12.939 -27.758 1.00 0.00 H new ATOM 1590 N ASP A 107 12.851 10.580 -25.651 1.00 0.00 N ATOM 1591 CA ASP A 107 13.895 9.624 -25.314 1.00 0.00 C ATOM 1592 C ASP A 107 14.642 10.041 -24.048 1.00 0.00 C ATOM 1593 O ASP A 107 15.146 9.187 -23.319 1.00 0.00 O ATOM 1594 CB ASP A 107 14.859 9.507 -26.491 1.00 0.00 C ATOM 1595 CG ASP A 107 14.153 8.982 -27.738 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.921 7.753 -27.794 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.849 9.811 -28.625 1.00 0.00 O ATOM 0 H ASP A 107 13.133 11.285 -26.332 1.00 0.00 H new ATOM 0 HA ASP A 107 13.437 8.655 -25.116 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.298 10.482 -26.703 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.679 8.839 -26.227 1.00 0.00 H new ATOM 1602 N GLY A 108 14.718 11.348 -23.778 1.00 0.00 N ATOM 1603 CA GLY A 108 15.461 11.866 -22.639 1.00 0.00 C ATOM 1604 C GLY A 108 14.681 11.746 -21.336 1.00 0.00 C ATOM 1605 O GLY A 108 15.286 11.632 -20.272 1.00 0.00 O ATOM 0 H GLY A 108 14.267 12.068 -24.343 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.403 11.326 -22.547 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.710 12.912 -22.816 1.00 0.00 H new ATOM 1609 N VAL A 109 13.345 11.767 -21.402 1.00 0.00 N ATOM 1610 CA VAL A 109 12.528 11.660 -20.203 1.00 0.00 C ATOM 1611 C VAL A 109 12.289 10.197 -19.836 1.00 0.00 C ATOM 1612 O VAL A 109 12.057 9.884 -18.672 1.00 0.00 O ATOM 1613 CB VAL A 109 11.219 12.436 -20.385 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.243 11.696 -21.299 1.00 0.00 C ATOM 1615 CG2 VAL A 109 10.561 12.668 -19.025 1.00 0.00 C ATOM 0 H VAL A 109 12.816 11.857 -22.269 1.00 0.00 H new ATOM 0 HA VAL A 109 13.063 12.110 -19.367 1.00 0.00 H new ATOM 0 HB VAL A 109 11.464 13.390 -20.852 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.328 12.279 -21.402 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.697 11.557 -22.280 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.007 10.723 -20.868 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.631 13.220 -19.160 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.348 11.708 -18.555 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.234 13.242 -18.388 1.00 0.00 H new ATOM 1625 N ALA A 110 12.350 9.293 -20.818 1.00 0.00 N ATOM 1626 CA ALA A 110 12.214 7.872 -20.541 1.00 0.00 C ATOM 1627 C ALA A 110 13.430 7.385 -19.755 1.00 0.00 C ATOM 1628 O ALA A 110 13.320 6.470 -18.940 1.00 0.00 O ATOM 1629 CB ALA A 110 12.072 7.121 -21.864 1.00 0.00 C ATOM 0 H ALA A 110 12.492 9.523 -21.802 1.00 0.00 H new ATOM 0 HA ALA A 110 11.326 7.686 -19.937 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.969 6.054 -21.667 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.189 7.479 -22.393 1.00 0.00 H new ATOM 0 HB3 ALA A 110 12.957 7.294 -22.477 1.00 0.00 H new ATOM 1635 N LYS A 111 14.595 8.004 -19.996 1.00 0.00 N ATOM 1636 CA LYS A 111 15.817 7.683 -19.269 1.00 0.00 C ATOM 1637 C LYS A 111 15.888 8.453 -17.953 1.00 0.00 C ATOM 1638 O LYS A 111 16.612 8.047 -17.048 1.00 0.00 O ATOM 1639 CB LYS A 111 17.026 7.995 -20.151 1.00 0.00 C ATOM 1640 CG LYS A 111 17.035 7.089 -21.383 1.00 0.00 C ATOM 1641 CD LYS A 111 18.231 7.430 -22.269 1.00 0.00 C ATOM 1642 CE LYS A 111 18.247 6.547 -23.517 1.00 0.00 C ATOM 1643 NZ LYS A 111 17.070 6.799 -24.370 1.00 0.00 N ATOM 0 H LYS A 111 14.709 8.736 -20.697 1.00 0.00 H new ATOM 0 HA LYS A 111 15.818 6.621 -19.025 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.999 9.040 -20.460 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.945 7.855 -19.582 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.084 6.044 -21.077 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.109 7.213 -21.944 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.187 8.479 -22.560 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.156 7.293 -21.709 1.00 0.00 H new ATOM 0 HE2 LYS A 111 19.157 6.735 -24.086 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.267 5.498 -23.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.441 5.971 -24.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.557 7.632 -24.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.380 6.972 -25.347 1.00 0.00 H new ATOM 1657 N ALA A 112 15.145 9.556 -17.835 1.00 0.00 N ATOM 1658 CA ALA A 112 15.129 10.348 -16.614 1.00 0.00 C ATOM 1659 C ALA A 112 14.295 9.658 -15.537 1.00 0.00 C ATOM 1660 O ALA A 112 14.674 9.658 -14.367 1.00 0.00 O ATOM 1661 CB ALA A 112 14.565 11.734 -16.926 1.00 0.00 C ATOM 0 H ALA A 112 14.546 9.918 -18.577 1.00 0.00 H new ATOM 0 HA ALA A 112 16.146 10.448 -16.234 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.550 12.334 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.192 12.222 -17.672 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.551 11.635 -17.313 1.00 0.00 H new ATOM 1667 N LEU A 113 13.160 9.065 -15.921 1.00 0.00 N ATOM 1668 CA LEU A 113 12.315 8.353 -14.977 1.00 0.00 C ATOM 1669 C LEU A 113 12.888 6.969 -14.699 1.00 0.00 C ATOM 1670 O LEU A 113 12.642 6.412 -13.631 1.00 0.00 O ATOM 1671 CB LEU A 113 10.884 8.266 -15.517 1.00 0.00 C ATOM 1672 CG LEU A 113 10.017 9.492 -15.178 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.729 9.550 -13.679 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.676 10.808 -15.594 1.00 0.00 C ATOM 0 H LEU A 113 12.812 9.068 -16.880 1.00 0.00 H new ATOM 0 HA LEU A 113 12.288 8.900 -14.034 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.921 8.147 -16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.407 7.373 -15.114 1.00 0.00 H new ATOM 0 HG LEU A 113 9.091 9.375 -15.740 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.115 10.424 -13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.198 8.648 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.668 9.620 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.023 11.641 -15.332 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.629 10.917 -15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.847 10.805 -16.671 1.00 0.00 H new ATOM 1686 N ALA A 114 13.657 6.405 -15.633 1.00 0.00 N ATOM 1687 CA ALA A 114 14.320 5.135 -15.390 1.00 0.00 C ATOM 1688 C ALA A 114 15.460 5.313 -14.388 1.00 0.00 C ATOM 1689 O ALA A 114 15.820 4.373 -13.684 1.00 0.00 O ATOM 1690 CB ALA A 114 14.835 4.580 -16.715 1.00 0.00 C ATOM 0 H ALA A 114 13.831 6.808 -16.554 1.00 0.00 H new ATOM 0 HA ALA A 114 13.611 4.427 -14.961 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.334 3.627 -16.541 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.998 4.432 -17.397 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.541 5.284 -17.154 1.00 0.00 H new ATOM 1696 N ALA A 115 16.031 6.521 -14.320 1.00 0.00 N ATOM 1697 CA ALA A 115 17.080 6.849 -13.370 1.00 0.00 C ATOM 1698 C ALA A 115 16.510 7.332 -12.035 1.00 0.00 C ATOM 1699 O ALA A 115 17.224 7.360 -11.036 1.00 0.00 O ATOM 1700 CB ALA A 115 17.997 7.903 -13.988 1.00 0.00 C ATOM 0 H ALA A 115 15.771 7.297 -14.929 1.00 0.00 H new ATOM 0 HA ALA A 115 17.652 5.946 -13.155 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.788 8.156 -13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.439 7.509 -14.903 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.419 8.797 -14.221 1.00 0.00 H new ATOM 1706 N LEU A 116 15.228 7.713 -12.014 1.00 0.00 N ATOM 1707 CA LEU A 116 14.577 8.202 -10.808 1.00 0.00 C ATOM 1708 C LEU A 116 13.914 7.054 -10.041 1.00 0.00 C ATOM 1709 O LEU A 116 13.871 7.081 -8.813 1.00 0.00 O ATOM 1710 CB LEU A 116 13.600 9.314 -11.217 1.00 0.00 C ATOM 1711 CG LEU A 116 13.078 10.149 -10.042 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.683 11.529 -10.564 1.00 0.00 C ATOM 1713 CD2 LEU A 116 11.831 9.544 -9.401 1.00 0.00 C ATOM 0 H LEU A 116 14.620 7.689 -12.833 1.00 0.00 H new ATOM 0 HA LEU A 116 15.303 8.624 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.095 9.976 -11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.753 8.866 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 116 13.873 10.189 -9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.309 12.136 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.553 12.014 -11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.904 11.423 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.504 10.175 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.036 9.478 -10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.062 8.547 -9.026 1.00 0.00 H new ATOM 1725 N LEU A 117 13.399 6.048 -10.756 1.00 0.00 N ATOM 1726 CA LEU A 117 12.732 4.904 -10.143 1.00 0.00 C ATOM 1727 C LEU A 117 13.718 3.789 -9.787 1.00 0.00 C ATOM 1728 O LEU A 117 13.306 2.780 -9.213 1.00 0.00 O ATOM 1729 CB LEU A 117 11.642 4.375 -11.085 1.00 0.00 C ATOM 1730 CG LEU A 117 10.294 5.080 -10.904 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.377 6.589 -11.127 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.295 4.494 -11.898 1.00 0.00 C ATOM 0 H LEU A 117 13.435 6.008 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 117 12.277 5.240 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.972 4.496 -12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.511 3.306 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 117 9.979 4.918 -9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.392 7.033 -10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.077 7.024 -10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.722 6.788 -12.142 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.331 4.988 -11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.659 4.649 -12.914 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.181 3.426 -11.712 1.00 0.00 H new ATOM 1744 N VAL A 118 15.003 3.954 -10.120 1.00 0.00 N ATOM 1745 CA VAL A 118 16.030 2.951 -9.846 1.00 0.00 C ATOM 1746 C VAL A 118 17.290 3.623 -9.312 1.00 0.00 C ATOM 1747 O VAL A 118 17.949 4.335 -10.101 1.00 0.00 O ATOM 1748 CB VAL A 118 16.340 2.137 -11.109 1.00 0.00 C ATOM 1749 CG1 VAL A 118 17.351 1.036 -10.784 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.072 1.476 -11.659 1.00 0.00 C ATOM 0 H VAL A 118 15.357 4.789 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 118 15.655 2.265 -9.086 1.00 0.00 H new ATOM 0 HB VAL A 118 16.746 2.821 -11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.566 0.462 -11.685 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.271 1.486 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 118 16.937 0.375 -10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.318 0.905 -12.554 1.00 0.00 H new ATOM 0 HG22 VAL A 118 14.654 0.808 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.340 2.244 -11.909 1.00 0.00 H new TER 1760 VAL A 118