USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1006 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 MET CE :methyl -135:sc= -0.7 (180deg=-2.39!) USER MOD Set 1.2: A 112 MET CE :methyl -117:sc= -2.84 (180deg=-3.79!) USER MOD Set 2.1: A 54 ASN : amide:sc= -2.3! C(o=-8.6!,f=-12!) USER MOD Set 2.2: A 58 ASN : amide:sc= -6.29! C(o=-8.6!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.128) USER MOD Single : A 2 HIS : no HE2:sc= 0.909 K(o=0.91,f=-6.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.68! K(o=-1.7!,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 150:sc= -2.01! USER MOD Single : A 21 TYR OH : rot -80:sc= 1.01 USER MOD Single : A 26 CYS SG : rot 180:sc=-0.00426 USER MOD Single : A 29 ASN : amide:sc= 0.275 K(o=0.28,f=-5.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3!) USER MOD Single : A 47 GLN : amide:sc= -0.0075 K(o=-0.0075,f=-1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 114:sc= 0.113 USER MOD Single : A 71 GLN : amide:sc= -2.45! K(o=-2.4!,f=-1.7) USER MOD Single : A 74 THR OG1 : rot 35:sc= -1.08 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.846 K(o=-0.85,f=-3!) USER MOD Single : A 95 SER OG : rot -140:sc= 0.274 USER MOD Single : A 100 SER OG : rot 77:sc= 0.193 USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= -2.23! (180deg=-4.38!) USER MOD Single : A 109 HIS : no HE2:sc= 0.182 K(o=0.18,f=-6.5!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.938 K(o=-0.94,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.498 -0.741 11.872 1.00 51.34 N ATOM 2 CA MET A 1 -19.026 -0.677 11.813 1.00 4.12 C ATOM 3 C MET A 1 -18.575 -0.800 10.368 1.00 5.34 C ATOM 4 O MET A 1 -18.691 -1.865 9.762 1.00 54.14 O ATOM 5 CB MET A 1 -18.400 -1.789 12.660 1.00 63.13 C ATOM 6 CG MET A 1 -18.818 -1.752 14.119 1.00 10.12 C ATOM 7 SD MET A 1 -18.471 -0.165 14.902 1.00 1.44 S ATOM 8 CE MET A 1 -19.205 -0.418 16.516 1.00 41.21 C ATOM 0 H1 MET A 1 -20.816 -0.539 12.841 1.00 51.34 H new ATOM 0 H2 MET A 1 -20.902 -0.038 11.221 1.00 51.34 H new ATOM 0 H3 MET A 1 -20.816 -1.692 11.595 1.00 51.34 H new ATOM 0 HA MET A 1 -18.697 0.280 12.217 1.00 4.12 H new ATOM 0 HB2 MET A 1 -18.675 -2.755 12.237 1.00 63.13 H new ATOM 0 HB3 MET A 1 -17.314 -1.712 12.600 1.00 63.13 H new ATOM 0 HG2 MET A 1 -19.885 -1.963 14.193 1.00 10.12 H new ATOM 0 HG3 MET A 1 -18.298 -2.542 14.662 1.00 10.12 H new ATOM 0 HE1 MET A 1 -19.072 0.479 17.121 1.00 41.21 H new ATOM 0 HE2 MET A 1 -20.269 -0.625 16.403 1.00 41.21 H new ATOM 0 HE3 MET A 1 -18.721 -1.262 17.008 1.00 41.21 H new ATOM 20 N HIS A 2 -18.079 0.293 9.814 1.00 63.22 N ATOM 21 CA HIS A 2 -17.703 0.325 8.408 1.00 3.35 C ATOM 22 C HIS A 2 -16.231 -0.026 8.237 1.00 51.53 C ATOM 23 O HIS A 2 -15.530 -0.261 9.223 1.00 52.34 O ATOM 24 CB HIS A 2 -18.011 1.699 7.785 1.00 22.14 C ATOM 25 CG HIS A 2 -17.361 2.863 8.475 1.00 51.20 C ATOM 26 ND1 HIS A 2 -16.064 3.257 8.230 1.00 33.45 N ATOM 27 CD2 HIS A 2 -17.845 3.728 9.399 1.00 71.50 C ATOM 28 CE1 HIS A 2 -15.776 4.304 8.976 1.00 51.23 C ATOM 29 NE2 HIS A 2 -16.839 4.612 9.692 1.00 3.54 N ATOM 0 H HIS A 2 -17.927 1.169 10.314 1.00 63.22 H new ATOM 0 HA HIS A 2 -18.297 -0.423 7.883 1.00 3.35 H new ATOM 0 HB2 HIS A 2 -17.693 1.689 6.742 1.00 22.14 H new ATOM 0 HB3 HIS A 2 -19.091 1.850 7.788 1.00 22.14 H new ATOM 0 HD1 HIS A 2 -15.426 2.808 7.573 1.00 33.45 H new ATOM 0 HD2 HIS A 2 -18.837 3.722 9.825 1.00 71.50 H new ATOM 0 HE1 HIS A 2 -14.829 4.822 8.997 1.00 51.23 H new ATOM 38 N ASP A 3 -15.793 -0.051 6.976 1.00 73.34 N ATOM 39 CA ASP A 3 -14.417 -0.403 6.603 1.00 40.14 C ATOM 40 C ASP A 3 -14.207 -1.909 6.678 1.00 3.14 C ATOM 41 O ASP A 3 -14.175 -2.498 7.755 1.00 3.10 O ATOM 42 CB ASP A 3 -13.369 0.335 7.453 1.00 10.15 C ATOM 43 CG ASP A 3 -13.278 1.815 7.127 1.00 4.04 C ATOM 44 OD1 ASP A 3 -14.263 2.379 6.596 1.00 60.34 O ATOM 45 OD2 ASP A 3 -12.226 2.428 7.403 1.00 14.45 O ATOM 0 H ASP A 3 -16.386 0.174 6.177 1.00 73.34 H new ATOM 0 HA ASP A 3 -14.275 -0.078 5.572 1.00 40.14 H new ATOM 0 HB2 ASP A 3 -13.615 0.215 8.508 1.00 10.15 H new ATOM 0 HB3 ASP A 3 -12.394 -0.126 7.299 1.00 10.15 H new ATOM 50 N ILE A 4 -14.085 -2.522 5.509 1.00 14.02 N ATOM 51 CA ILE A 4 -13.910 -3.966 5.375 1.00 62.20 C ATOM 52 C ILE A 4 -13.027 -4.232 4.160 1.00 2.10 C ATOM 53 O ILE A 4 -12.266 -3.358 3.747 1.00 12.05 O ATOM 54 CB ILE A 4 -15.262 -4.737 5.206 1.00 0.30 C ATOM 55 CG1 ILE A 4 -16.005 -4.331 3.916 1.00 0.13 C ATOM 56 CG2 ILE A 4 -16.163 -4.548 6.420 1.00 61.44 C ATOM 57 CD1 ILE A 4 -16.565 -2.924 3.921 1.00 14.54 C ATOM 0 H ILE A 4 -14.105 -2.028 4.617 1.00 14.02 H new ATOM 0 HA ILE A 4 -13.452 -4.330 6.295 1.00 62.20 H new ATOM 0 HB ILE A 4 -15.010 -5.794 5.123 1.00 0.30 H new ATOM 0 HG12 ILE A 4 -15.322 -4.432 3.073 1.00 0.13 H new ATOM 0 HG13 ILE A 4 -16.823 -5.032 3.749 1.00 0.13 H new ATOM 0 HG21 ILE A 4 -17.094 -5.096 6.271 1.00 61.44 H new ATOM 0 HG22 ILE A 4 -15.658 -4.925 7.310 1.00 61.44 H new ATOM 0 HG23 ILE A 4 -16.383 -3.488 6.549 1.00 61.44 H new ATOM 0 HD11 ILE A 4 -17.069 -2.730 2.974 1.00 14.54 H new ATOM 0 HD12 ILE A 4 -17.277 -2.819 4.739 1.00 14.54 H new ATOM 0 HD13 ILE A 4 -15.753 -2.209 4.053 1.00 14.54 H new ATOM 69 N ASP A 5 -13.118 -5.428 3.594 1.00 43.01 N ATOM 70 CA ASP A 5 -12.430 -5.726 2.343 1.00 71.12 C ATOM 71 C ASP A 5 -13.203 -5.115 1.178 1.00 41.54 C ATOM 72 O ASP A 5 -14.141 -5.719 0.652 1.00 43.13 O ATOM 73 CB ASP A 5 -12.273 -7.238 2.163 1.00 12.41 C ATOM 74 CG ASP A 5 -11.702 -7.620 0.808 1.00 0.14 C ATOM 75 OD1 ASP A 5 -10.582 -7.181 0.480 1.00 3.14 O ATOM 76 OD2 ASP A 5 -12.376 -8.373 0.069 1.00 20.32 O ATOM 0 H ASP A 5 -13.658 -6.204 3.978 1.00 43.01 H new ATOM 0 HA ASP A 5 -11.432 -5.289 2.370 1.00 71.12 H new ATOM 0 HB2 ASP A 5 -11.623 -7.626 2.947 1.00 12.41 H new ATOM 0 HB3 ASP A 5 -13.245 -7.716 2.289 1.00 12.41 H new ATOM 81 N ASP A 6 -12.832 -3.887 0.828 1.00 40.24 N ATOM 82 CA ASP A 6 -13.496 -3.132 -0.231 1.00 33.04 C ATOM 83 C ASP A 6 -12.738 -1.829 -0.481 1.00 10.23 C ATOM 84 O ASP A 6 -11.898 -1.433 0.329 1.00 41.14 O ATOM 85 CB ASP A 6 -14.952 -2.831 0.156 1.00 30.41 C ATOM 86 CG ASP A 6 -15.697 -2.029 -0.894 1.00 13.41 C ATOM 87 OD1 ASP A 6 -15.645 -2.399 -2.085 1.00 40.03 O ATOM 88 OD2 ASP A 6 -16.351 -1.029 -0.531 1.00 72.22 O ATOM 0 H ASP A 6 -12.062 -3.386 1.271 1.00 40.24 H new ATOM 0 HA ASP A 6 -13.499 -3.728 -1.143 1.00 33.04 H new ATOM 0 HB2 ASP A 6 -15.477 -3.771 0.326 1.00 30.41 H new ATOM 0 HB3 ASP A 6 -14.965 -2.284 1.098 1.00 30.41 H new ATOM 93 N TYR A 7 -13.027 -1.172 -1.596 1.00 4.02 N ATOM 94 CA TYR A 7 -12.376 0.087 -1.939 1.00 63.30 C ATOM 95 C TYR A 7 -13.397 1.127 -2.411 1.00 31.31 C ATOM 96 O TYR A 7 -13.675 1.254 -3.602 1.00 54.02 O ATOM 97 CB TYR A 7 -11.274 -0.136 -2.992 1.00 53.31 C ATOM 98 CG TYR A 7 -11.658 -1.076 -4.122 1.00 11.11 C ATOM 99 CD1 TYR A 7 -11.537 -2.453 -3.976 1.00 23.23 C ATOM 100 CD2 TYR A 7 -12.135 -0.588 -5.333 1.00 15.45 C ATOM 101 CE1 TYR A 7 -11.883 -3.315 -4.999 1.00 2.24 C ATOM 102 CE2 TYR A 7 -12.482 -1.442 -6.362 1.00 52.41 C ATOM 103 CZ TYR A 7 -12.356 -2.805 -6.188 1.00 60.20 C ATOM 104 OH TYR A 7 -12.699 -3.659 -7.214 1.00 44.25 O ATOM 0 H TYR A 7 -13.711 -1.491 -2.282 1.00 4.02 H new ATOM 0 HA TYR A 7 -11.903 0.479 -1.039 1.00 63.30 H new ATOM 0 HB2 TYR A 7 -10.997 0.828 -3.418 1.00 53.31 H new ATOM 0 HB3 TYR A 7 -10.389 -0.531 -2.494 1.00 53.31 H new ATOM 0 HD1 TYR A 7 -11.166 -2.857 -3.046 1.00 23.23 H new ATOM 0 HD2 TYR A 7 -12.236 0.478 -5.472 1.00 15.45 H new ATOM 0 HE1 TYR A 7 -11.783 -4.382 -4.867 1.00 2.24 H new ATOM 0 HE2 TYR A 7 -12.850 -1.045 -7.297 1.00 52.41 H new ATOM 0 HH TYR A 7 -13.015 -3.138 -7.981 1.00 44.25 H new ATOM 114 N PRO A 8 -14.004 1.857 -1.463 1.00 52.30 N ATOM 115 CA PRO A 8 -14.993 2.900 -1.768 1.00 3.35 C ATOM 116 C PRO A 8 -14.356 4.166 -2.345 1.00 62.40 C ATOM 117 O PRO A 8 -14.853 4.734 -3.322 1.00 13.34 O ATOM 118 CB PRO A 8 -15.649 3.211 -0.409 1.00 23.13 C ATOM 119 CG PRO A 8 -15.145 2.174 0.543 1.00 23.14 C ATOM 120 CD PRO A 8 -13.808 1.700 -0.020 1.00 3.20 C ATOM 0 HA PRO A 8 -15.699 2.560 -2.526 1.00 3.35 H new ATOM 0 HB2 PRO A 8 -15.385 4.213 -0.069 1.00 23.13 H new ATOM 0 HB3 PRO A 8 -16.736 3.176 -0.484 1.00 23.13 H new ATOM 0 HG2 PRO A 8 -15.022 2.590 1.543 1.00 23.14 H new ATOM 0 HG3 PRO A 8 -15.849 1.346 0.626 1.00 23.14 H new ATOM 0 HD2 PRO A 8 -12.976 2.302 0.345 1.00 3.20 H new ATOM 0 HD3 PRO A 8 -13.596 0.666 0.252 1.00 3.20 H new ATOM 128 N GLN A 9 -13.263 4.607 -1.737 1.00 74.51 N ATOM 129 CA GLN A 9 -12.576 5.815 -2.177 1.00 75.11 C ATOM 130 C GLN A 9 -11.416 5.448 -3.092 1.00 51.33 C ATOM 131 O GLN A 9 -10.728 4.458 -2.849 1.00 13.50 O ATOM 132 CB GLN A 9 -12.081 6.607 -0.959 1.00 61.23 C ATOM 133 CG GLN A 9 -11.387 7.919 -1.303 1.00 15.11 C ATOM 134 CD GLN A 9 -9.878 7.863 -1.127 1.00 42.24 C ATOM 135 OE1 GLN A 9 -9.242 8.872 -0.830 1.00 60.23 O ATOM 136 NE2 GLN A 9 -9.296 6.689 -1.309 1.00 3.13 N ATOM 0 H GLN A 9 -12.832 4.146 -0.936 1.00 74.51 H new ATOM 0 HA GLN A 9 -13.270 6.442 -2.737 1.00 75.11 H new ATOM 0 HB2 GLN A 9 -12.930 6.818 -0.309 1.00 61.23 H new ATOM 0 HB3 GLN A 9 -11.391 5.983 -0.391 1.00 61.23 H new ATOM 0 HG2 GLN A 9 -11.616 8.184 -2.335 1.00 15.11 H new ATOM 0 HG3 GLN A 9 -11.790 8.712 -0.673 1.00 15.11 H new ATOM 0 HE21 GLN A 9 -9.858 5.874 -1.555 1.00 3.13 H new ATOM 0 HE22 GLN A 9 -8.285 6.599 -1.203 1.00 3.13 H new ATOM 145 N ALA A 10 -11.181 6.260 -4.117 1.00 74.23 N ATOM 146 CA ALA A 10 -10.170 5.970 -5.106 1.00 52.55 C ATOM 147 C ALA A 10 -9.825 7.241 -5.856 1.00 0.21 C ATOM 148 O ALA A 10 -10.532 7.645 -6.780 1.00 21.00 O ATOM 149 CB ALA A 10 -10.643 4.893 -6.070 1.00 34.20 C ATOM 0 H ALA A 10 -11.687 7.131 -4.278 1.00 74.23 H new ATOM 0 HA ALA A 10 -9.280 5.594 -4.602 1.00 52.55 H new ATOM 0 HB1 ALA A 10 -9.863 4.694 -6.804 1.00 34.20 H new ATOM 0 HB2 ALA A 10 -10.862 3.980 -5.516 1.00 34.20 H new ATOM 0 HB3 ALA A 10 -11.544 5.232 -6.581 1.00 34.20 H new ATOM 155 N LYS A 11 -8.777 7.904 -5.404 1.00 22.43 N ATOM 156 CA LYS A 11 -8.275 9.083 -6.085 1.00 72.11 C ATOM 157 C LYS A 11 -7.532 8.631 -7.330 1.00 41.55 C ATOM 158 O LYS A 11 -7.403 7.432 -7.564 1.00 14.32 O ATOM 159 CB LYS A 11 -7.330 9.869 -5.170 1.00 14.14 C ATOM 160 CG LYS A 11 -7.856 10.070 -3.755 1.00 64.21 C ATOM 161 CD LYS A 11 -9.050 11.010 -3.713 1.00 42.43 C ATOM 162 CE LYS A 11 -8.648 12.443 -4.022 1.00 74.14 C ATOM 163 NZ LYS A 11 -9.790 13.381 -3.878 1.00 31.14 N ATOM 0 H LYS A 11 -8.256 7.645 -4.566 1.00 22.43 H new ATOM 0 HA LYS A 11 -9.105 9.736 -6.354 1.00 72.11 H new ATOM 0 HB2 LYS A 11 -6.374 9.348 -5.120 1.00 14.14 H new ATOM 0 HB3 LYS A 11 -7.138 10.845 -5.616 1.00 14.14 H new ATOM 0 HG2 LYS A 11 -8.141 9.105 -3.335 1.00 64.21 H new ATOM 0 HG3 LYS A 11 -7.060 10.469 -3.127 1.00 64.21 H new ATOM 0 HD2 LYS A 11 -9.799 10.679 -4.432 1.00 42.43 H new ATOM 0 HD3 LYS A 11 -9.513 10.966 -2.727 1.00 42.43 H new ATOM 0 HE2 LYS A 11 -7.842 12.746 -3.353 1.00 74.14 H new ATOM 0 HE3 LYS A 11 -8.257 12.500 -5.038 1.00 74.14 H new ATOM 0 HZ1 LYS A 11 -9.475 14.348 -4.097 1.00 31.14 H new ATOM 0 HZ2 LYS A 11 -10.549 13.107 -4.534 1.00 31.14 H new ATOM 0 HZ3 LYS A 11 -10.147 13.346 -2.902 1.00 31.14 H new ATOM 177 N ARG A 12 -7.058 9.565 -8.132 1.00 63.05 N ATOM 178 CA ARG A 12 -6.185 9.197 -9.248 1.00 52.51 C ATOM 179 C ARG A 12 -5.301 10.353 -9.730 1.00 62.33 C ATOM 180 O ARG A 12 -4.266 10.118 -10.346 1.00 5.21 O ATOM 181 CB ARG A 12 -7.004 8.615 -10.408 1.00 61.15 C ATOM 182 CG ARG A 12 -7.936 9.602 -11.091 1.00 31.25 C ATOM 183 CD ARG A 12 -8.846 8.895 -12.085 1.00 54.22 C ATOM 184 NE ARG A 12 -8.109 7.970 -12.950 1.00 14.34 N ATOM 185 CZ ARG A 12 -8.636 7.340 -14.000 1.00 40.32 C ATOM 186 NH1 ARG A 12 -9.886 7.584 -14.370 1.00 40.24 N ATOM 187 NH2 ARG A 12 -7.910 6.462 -14.679 1.00 74.10 N ATOM 0 H ARG A 12 -7.252 10.562 -8.043 1.00 63.05 H new ATOM 0 HA ARG A 12 -5.508 8.431 -8.871 1.00 52.51 H new ATOM 0 HB2 ARG A 12 -6.317 8.211 -11.152 1.00 61.15 H new ATOM 0 HB3 ARG A 12 -7.595 7.779 -10.033 1.00 61.15 H new ATOM 0 HG2 ARG A 12 -8.539 10.116 -10.342 1.00 31.25 H new ATOM 0 HG3 ARG A 12 -7.351 10.363 -11.606 1.00 31.25 H new ATOM 0 HD2 ARG A 12 -9.617 8.347 -11.543 1.00 54.22 H new ATOM 0 HD3 ARG A 12 -9.355 9.637 -12.700 1.00 54.22 H new ATOM 0 HE ARG A 12 -7.127 7.797 -12.734 1.00 14.34 H new ATOM 0 HH11 ARG A 12 -10.450 8.257 -13.850 1.00 40.24 H new ATOM 0 HH12 ARG A 12 -10.284 7.099 -15.174 1.00 40.24 H new ATOM 0 HH21 ARG A 12 -6.949 6.269 -14.398 1.00 74.10 H new ATOM 0 HH22 ARG A 12 -8.313 5.980 -15.482 1.00 74.10 H new ATOM 201 N VAL A 13 -5.688 11.594 -9.455 1.00 61.52 N ATOM 202 CA VAL A 13 -4.894 12.735 -9.904 1.00 52.04 C ATOM 203 C VAL A 13 -4.002 13.304 -8.787 1.00 12.55 C ATOM 204 O VAL A 13 -2.780 13.309 -8.931 1.00 54.33 O ATOM 205 CB VAL A 13 -5.772 13.851 -10.518 1.00 72.33 C ATOM 206 CG1 VAL A 13 -4.916 15.030 -10.962 1.00 3.23 C ATOM 207 CG2 VAL A 13 -6.579 13.306 -11.687 1.00 64.30 C ATOM 0 H VAL A 13 -6.531 11.835 -8.933 1.00 61.52 H new ATOM 0 HA VAL A 13 -4.240 12.353 -10.688 1.00 52.04 H new ATOM 0 HB VAL A 13 -6.464 14.204 -9.753 1.00 72.33 H new ATOM 0 HG11 VAL A 13 -5.555 15.802 -11.391 1.00 3.23 H new ATOM 0 HG12 VAL A 13 -4.382 15.436 -10.103 1.00 3.23 H new ATOM 0 HG13 VAL A 13 -4.198 14.696 -11.711 1.00 3.23 H new ATOM 0 HG21 VAL A 13 -7.192 14.103 -12.109 1.00 64.30 H new ATOM 0 HG22 VAL A 13 -5.901 12.926 -12.451 1.00 64.30 H new ATOM 0 HG23 VAL A 13 -7.223 12.498 -11.339 1.00 64.30 H new ATOM 217 N PRO A 14 -4.569 13.777 -7.651 1.00 15.55 N ATOM 218 CA PRO A 14 -3.768 14.358 -6.561 1.00 72.32 C ATOM 219 C PRO A 14 -3.168 13.288 -5.656 1.00 42.43 C ATOM 220 O PRO A 14 -3.128 13.437 -4.433 1.00 71.33 O ATOM 221 CB PRO A 14 -4.795 15.188 -5.793 1.00 3.34 C ATOM 222 CG PRO A 14 -6.062 14.424 -5.933 1.00 70.43 C ATOM 223 CD PRO A 14 -6.011 13.783 -7.322 1.00 43.03 C ATOM 0 HA PRO A 14 -2.917 14.930 -6.929 1.00 72.32 H new ATOM 0 HB2 PRO A 14 -4.512 15.302 -4.746 1.00 3.34 H new ATOM 0 HB3 PRO A 14 -4.887 16.191 -6.209 1.00 3.34 H new ATOM 0 HG2 PRO A 14 -6.149 13.665 -5.155 1.00 70.43 H new ATOM 0 HG3 PRO A 14 -6.927 15.080 -5.837 1.00 70.43 H new ATOM 0 HD2 PRO A 14 -6.424 12.774 -7.313 1.00 43.03 H new ATOM 0 HD3 PRO A 14 -6.586 14.357 -8.049 1.00 43.03 H new ATOM 231 N GLY A 15 -2.686 12.220 -6.268 1.00 75.21 N ATOM 232 CA GLY A 15 -2.223 11.084 -5.513 1.00 43.11 C ATOM 233 C GLY A 15 -3.354 10.124 -5.229 1.00 65.34 C ATOM 234 O GLY A 15 -4.226 10.416 -4.412 1.00 3.43 O ATOM 0 H GLY A 15 -2.608 12.122 -7.280 1.00 75.21 H new ATOM 0 HA2 GLY A 15 -1.437 10.571 -6.067 1.00 43.11 H new ATOM 0 HA3 GLY A 15 -1.784 11.422 -4.574 1.00 43.11 H new ATOM 238 N LEU A 16 -3.369 8.989 -5.915 1.00 65.10 N ATOM 239 CA LEU A 16 -4.434 8.017 -5.705 1.00 53.53 C ATOM 240 C LEU A 16 -4.188 7.304 -4.388 1.00 32.12 C ATOM 241 O LEU A 16 -3.136 6.703 -4.172 1.00 13.30 O ATOM 242 CB LEU A 16 -4.584 7.044 -6.899 1.00 41.21 C ATOM 243 CG LEU A 16 -3.550 5.930 -7.054 1.00 52.35 C ATOM 244 CD1 LEU A 16 -4.010 4.658 -6.365 1.00 45.31 C ATOM 245 CD2 LEU A 16 -3.276 5.672 -8.527 1.00 11.42 C ATOM 0 H LEU A 16 -2.671 8.721 -6.609 1.00 65.10 H new ATOM 0 HA LEU A 16 -5.391 8.536 -5.647 1.00 53.53 H new ATOM 0 HB2 LEU A 16 -5.567 6.579 -6.828 1.00 41.21 H new ATOM 0 HB3 LEU A 16 -4.576 7.636 -7.814 1.00 41.21 H new ATOM 0 HG LEU A 16 -2.625 6.252 -6.576 1.00 52.35 H new ATOM 0 HD11 LEU A 16 -3.255 3.882 -6.491 1.00 45.31 H new ATOM 0 HD12 LEU A 16 -4.156 4.852 -5.302 1.00 45.31 H new ATOM 0 HD13 LEU A 16 -4.950 4.325 -6.806 1.00 45.31 H new ATOM 0 HD21 LEU A 16 -2.538 4.876 -8.626 1.00 11.42 H new ATOM 0 HD22 LEU A 16 -4.200 5.373 -9.022 1.00 11.42 H new ATOM 0 HD23 LEU A 16 -2.894 6.581 -8.991 1.00 11.42 H new ATOM 257 N VAL A 17 -5.147 7.435 -3.492 1.00 4.41 N ATOM 258 CA VAL A 17 -4.999 6.966 -2.129 1.00 24.21 C ATOM 259 C VAL A 17 -5.671 5.615 -1.944 1.00 63.35 C ATOM 260 O VAL A 17 -6.896 5.532 -1.860 1.00 5.54 O ATOM 261 CB VAL A 17 -5.610 7.981 -1.140 1.00 25.20 C ATOM 262 CG1 VAL A 17 -5.394 7.542 0.299 1.00 72.44 C ATOM 263 CG2 VAL A 17 -5.028 9.365 -1.376 1.00 2.43 C ATOM 0 H VAL A 17 -6.049 7.869 -3.688 1.00 4.41 H new ATOM 0 HA VAL A 17 -3.933 6.861 -1.927 1.00 24.21 H new ATOM 0 HB VAL A 17 -6.685 8.023 -1.316 1.00 25.20 H new ATOM 0 HG11 VAL A 17 -5.835 8.276 0.973 1.00 72.44 H new ATOM 0 HG12 VAL A 17 -5.867 6.573 0.459 1.00 72.44 H new ATOM 0 HG13 VAL A 17 -4.325 7.462 0.498 1.00 72.44 H new ATOM 0 HG21 VAL A 17 -5.469 10.070 -0.671 1.00 2.43 H new ATOM 0 HG22 VAL A 17 -3.948 9.335 -1.232 1.00 2.43 H new ATOM 0 HG23 VAL A 17 -5.250 9.684 -2.394 1.00 2.43 H new ATOM 273 N VAL A 18 -4.877 4.559 -1.899 1.00 14.32 N ATOM 274 CA VAL A 18 -5.412 3.230 -1.632 1.00 60.03 C ATOM 275 C VAL A 18 -5.023 2.781 -0.233 1.00 42.34 C ATOM 276 O VAL A 18 -3.841 2.613 0.076 1.00 72.32 O ATOM 277 CB VAL A 18 -4.938 2.190 -2.670 1.00 23.23 C ATOM 278 CG1 VAL A 18 -5.390 0.784 -2.286 1.00 5.21 C ATOM 279 CG2 VAL A 18 -5.456 2.546 -4.053 1.00 72.45 C ATOM 0 H VAL A 18 -3.868 4.592 -2.042 1.00 14.32 H new ATOM 0 HA VAL A 18 -6.497 3.297 -1.708 1.00 60.03 H new ATOM 0 HB VAL A 18 -3.848 2.205 -2.686 1.00 23.23 H new ATOM 0 HG11 VAL A 18 -5.042 0.073 -3.035 1.00 5.21 H new ATOM 0 HG12 VAL A 18 -4.973 0.521 -1.314 1.00 5.21 H new ATOM 0 HG13 VAL A 18 -6.478 0.753 -2.234 1.00 5.21 H new ATOM 0 HG21 VAL A 18 -5.113 1.803 -4.773 1.00 72.45 H new ATOM 0 HG22 VAL A 18 -6.546 2.562 -4.040 1.00 72.45 H new ATOM 0 HG23 VAL A 18 -5.082 3.529 -4.340 1.00 72.45 H new ATOM 289 N TYR A 19 -6.019 2.604 0.615 1.00 72.00 N ATOM 290 CA TYR A 19 -5.782 2.218 1.991 1.00 51.04 C ATOM 291 C TYR A 19 -6.026 0.729 2.194 1.00 42.52 C ATOM 292 O TYR A 19 -6.667 0.072 1.375 1.00 64.25 O ATOM 293 CB TYR A 19 -6.644 3.052 2.949 1.00 61.55 C ATOM 294 CG TYR A 19 -8.074 3.262 2.495 1.00 61.32 C ATOM 295 CD1 TYR A 19 -9.053 2.305 2.730 1.00 65.34 C ATOM 296 CD2 TYR A 19 -8.442 4.431 1.840 1.00 21.00 C ATOM 297 CE1 TYR A 19 -10.360 2.508 2.325 1.00 5.41 C ATOM 298 CE2 TYR A 19 -9.746 4.640 1.431 1.00 52.30 C ATOM 299 CZ TYR A 19 -10.699 3.676 1.676 1.00 54.05 C ATOM 300 OH TYR A 19 -12.000 3.884 1.279 1.00 15.43 O ATOM 0 H TYR A 19 -7.003 2.722 0.373 1.00 72.00 H new ATOM 0 HA TYR A 19 -4.735 2.417 2.219 1.00 51.04 H new ATOM 0 HB2 TYR A 19 -6.655 2.565 3.924 1.00 61.55 H new ATOM 0 HB3 TYR A 19 -6.174 4.026 3.085 1.00 61.55 H new ATOM 0 HD1 TYR A 19 -8.790 1.388 3.237 1.00 65.34 H new ATOM 0 HD2 TYR A 19 -7.697 5.189 1.647 1.00 21.00 H new ATOM 0 HE1 TYR A 19 -11.111 1.756 2.516 1.00 5.41 H new ATOM 0 HE2 TYR A 19 -10.016 5.554 0.922 1.00 52.30 H new ATOM 0 HH TYR A 19 -12.196 4.844 1.290 1.00 15.43 H new ATOM 310 N ARG A 20 -5.480 0.205 3.280 1.00 33.44 N ATOM 311 CA ARG A 20 -5.616 -1.210 3.615 1.00 22.12 C ATOM 312 C ARG A 20 -7.000 -1.504 4.210 1.00 3.01 C ATOM 313 O ARG A 20 -7.799 -0.592 4.412 1.00 30.51 O ATOM 314 CB ARG A 20 -4.512 -1.615 4.591 1.00 4.13 C ATOM 315 CG ARG A 20 -3.116 -1.222 4.131 1.00 2.33 C ATOM 316 CD ARG A 20 -2.609 -2.117 3.014 1.00 42.15 C ATOM 317 NE ARG A 20 -1.648 -3.110 3.501 1.00 3.34 N ATOM 318 CZ ARG A 20 -1.778 -4.426 3.342 1.00 5.45 C ATOM 319 NH1 ARG A 20 -2.873 -4.924 2.780 1.00 43.41 N ATOM 320 NH2 ARG A 20 -0.814 -5.242 3.755 1.00 22.11 N ATOM 0 H ARG A 20 -4.933 0.742 3.953 1.00 33.44 H new ATOM 0 HA ARG A 20 -5.517 -1.797 2.702 1.00 22.12 H new ATOM 0 HB2 ARG A 20 -4.709 -1.156 5.560 1.00 4.13 H new ATOM 0 HB3 ARG A 20 -4.546 -2.695 4.737 1.00 4.13 H new ATOM 0 HG2 ARG A 20 -3.125 -0.187 3.789 1.00 2.33 H new ATOM 0 HG3 ARG A 20 -2.429 -1.273 4.976 1.00 2.33 H new ATOM 0 HD2 ARG A 20 -3.452 -2.627 2.547 1.00 42.15 H new ATOM 0 HD3 ARG A 20 -2.139 -1.505 2.244 1.00 42.15 H new ATOM 0 HE ARG A 20 -0.823 -2.770 3.996 1.00 3.34 H new ATOM 0 HH11 ARG A 20 -3.616 -4.299 2.469 1.00 43.41 H new ATOM 0 HH12 ARG A 20 -2.971 -5.932 2.659 1.00 43.41 H new ATOM 0 HH21 ARG A 20 0.024 -4.860 4.193 1.00 22.11 H new ATOM 0 HH22 ARG A 20 -0.912 -6.250 3.634 1.00 22.11 H new ATOM 334 N TYR A 21 -7.265 -2.774 4.505 1.00 34.54 N ATOM 335 CA TYR A 21 -8.608 -3.212 4.893 1.00 12.42 C ATOM 336 C TYR A 21 -8.722 -3.412 6.406 1.00 11.04 C ATOM 337 O TYR A 21 -7.748 -3.248 7.136 1.00 33.40 O ATOM 338 CB TYR A 21 -8.947 -4.527 4.181 1.00 64.11 C ATOM 339 CG TYR A 21 -8.582 -4.539 2.713 1.00 62.43 C ATOM 340 CD1 TYR A 21 -9.444 -4.029 1.749 1.00 54.13 C ATOM 341 CD2 TYR A 21 -7.365 -5.063 2.292 1.00 62.31 C ATOM 342 CE1 TYR A 21 -9.101 -4.040 0.410 1.00 61.33 C ATOM 343 CE2 TYR A 21 -7.016 -5.076 0.958 1.00 45.34 C ATOM 344 CZ TYR A 21 -7.887 -4.565 0.021 1.00 3.31 C ATOM 345 OH TYR A 21 -7.538 -4.573 -1.311 1.00 24.52 O ATOM 0 H TYR A 21 -6.569 -3.520 4.484 1.00 34.54 H new ATOM 0 HA TYR A 21 -9.311 -2.432 4.600 1.00 12.42 H new ATOM 0 HB2 TYR A 21 -8.428 -5.344 4.681 1.00 64.11 H new ATOM 0 HB3 TYR A 21 -10.015 -4.719 4.282 1.00 64.11 H new ATOM 0 HD1 TYR A 21 -10.396 -3.618 2.051 1.00 54.13 H new ATOM 0 HD2 TYR A 21 -6.680 -5.467 3.023 1.00 62.31 H new ATOM 0 HE1 TYR A 21 -9.781 -3.639 -0.328 1.00 61.33 H new ATOM 0 HE2 TYR A 21 -6.065 -5.485 0.649 1.00 45.34 H new ATOM 0 HH TYR A 21 -7.977 -5.326 -1.760 1.00 24.52 H new ATOM 355 N ASP A 22 -9.920 -3.775 6.862 1.00 45.53 N ATOM 356 CA ASP A 22 -10.174 -4.067 8.284 1.00 4.53 C ATOM 357 C ASP A 22 -10.468 -5.557 8.478 1.00 64.52 C ATOM 358 O ASP A 22 -10.720 -6.036 9.584 1.00 50.02 O ATOM 359 CB ASP A 22 -11.356 -3.215 8.782 1.00 50.53 C ATOM 360 CG ASP A 22 -11.885 -3.633 10.150 1.00 63.41 C ATOM 361 OD1 ASP A 22 -11.152 -3.506 11.153 1.00 31.13 O ATOM 362 OD2 ASP A 22 -13.032 -4.120 10.226 1.00 35.35 O ATOM 0 H ASP A 22 -10.741 -3.876 6.266 1.00 45.53 H new ATOM 0 HA ASP A 22 -9.286 -3.817 8.865 1.00 4.53 H new ATOM 0 HB2 ASP A 22 -11.045 -2.171 8.827 1.00 50.53 H new ATOM 0 HB3 ASP A 22 -12.167 -3.276 8.056 1.00 50.53 H new ATOM 367 N ALA A 23 -10.358 -6.306 7.400 1.00 40.11 N ATOM 368 CA ALA A 23 -10.780 -7.698 7.399 1.00 2.42 C ATOM 369 C ALA A 23 -9.667 -8.620 6.942 1.00 24.12 C ATOM 370 O ALA A 23 -8.994 -8.337 5.955 1.00 34.34 O ATOM 371 CB ALA A 23 -11.969 -7.875 6.487 1.00 20.24 C ATOM 0 H ALA A 23 -9.980 -5.977 6.511 1.00 40.11 H new ATOM 0 HA ALA A 23 -11.047 -7.960 8.423 1.00 2.42 H new ATOM 0 HB1 ALA A 23 -12.279 -8.920 6.492 1.00 20.24 H new ATOM 0 HB2 ALA A 23 -12.792 -7.251 6.836 1.00 20.24 H new ATOM 0 HB3 ALA A 23 -11.697 -7.582 5.473 1.00 20.24 H new ATOM 377 N PRO A 24 -9.462 -9.734 7.657 1.00 5.42 N ATOM 378 CA PRO A 24 -8.458 -10.735 7.294 1.00 60.21 C ATOM 379 C PRO A 24 -8.810 -11.467 6.006 1.00 71.44 C ATOM 380 O PRO A 24 -9.655 -12.363 6.000 1.00 20.20 O ATOM 381 CB PRO A 24 -8.452 -11.719 8.476 1.00 23.52 C ATOM 382 CG PRO A 24 -9.161 -11.008 9.576 1.00 65.14 C ATOM 383 CD PRO A 24 -10.172 -10.101 8.887 1.00 75.44 C ATOM 0 HA PRO A 24 -7.488 -10.271 7.113 1.00 60.21 H new ATOM 0 HB2 PRO A 24 -8.958 -12.649 8.217 1.00 23.52 H new ATOM 0 HB3 PRO A 24 -7.434 -11.980 8.767 1.00 23.52 H new ATOM 0 HG2 PRO A 24 -9.657 -11.713 10.244 1.00 65.14 H new ATOM 0 HG3 PRO A 24 -8.464 -10.430 10.183 1.00 65.14 H new ATOM 0 HD2 PRO A 24 -11.109 -10.618 8.679 1.00 75.44 H new ATOM 0 HD3 PRO A 24 -10.417 -9.229 9.493 1.00 75.44 H new ATOM 391 N LEU A 25 -8.192 -11.055 4.910 1.00 41.25 N ATOM 392 CA LEU A 25 -8.319 -11.784 3.661 1.00 2.41 C ATOM 393 C LEU A 25 -7.067 -12.618 3.428 1.00 53.13 C ATOM 394 O LEU A 25 -7.025 -13.464 2.529 1.00 21.45 O ATOM 395 CB LEU A 25 -8.657 -10.870 2.444 1.00 33.02 C ATOM 396 CG LEU A 25 -7.704 -9.706 2.053 1.00 74.01 C ATOM 397 CD1 LEU A 25 -7.633 -8.632 3.126 1.00 74.41 C ATOM 398 CD2 LEU A 25 -6.305 -10.197 1.704 1.00 51.23 C ATOM 0 H LEU A 25 -7.601 -10.225 4.861 1.00 41.25 H new ATOM 0 HA LEU A 25 -9.176 -12.452 3.752 1.00 2.41 H new ATOM 0 HB2 LEU A 25 -8.753 -11.516 1.571 1.00 33.02 H new ATOM 0 HB3 LEU A 25 -9.639 -10.435 2.629 1.00 33.02 H new ATOM 0 HG LEU A 25 -8.136 -9.258 1.158 1.00 74.01 H new ATOM 0 HD11 LEU A 25 -6.955 -7.841 2.805 1.00 74.41 H new ATOM 0 HD12 LEU A 25 -8.626 -8.214 3.289 1.00 74.41 H new ATOM 0 HD13 LEU A 25 -7.267 -9.069 4.055 1.00 74.41 H new ATOM 0 HD21 LEU A 25 -5.677 -9.347 1.438 1.00 51.23 H new ATOM 0 HD22 LEU A 25 -5.875 -10.711 2.564 1.00 51.23 H new ATOM 0 HD23 LEU A 25 -6.361 -10.885 0.860 1.00 51.23 H new ATOM 410 N CYS A 26 -6.051 -12.363 4.262 1.00 31.03 N ATOM 411 CA CYS A 26 -4.805 -13.129 4.255 1.00 34.01 C ATOM 412 C CYS A 26 -4.031 -12.910 2.957 1.00 34.23 C ATOM 413 O CYS A 26 -3.083 -12.126 2.925 1.00 64.03 O ATOM 414 CB CYS A 26 -5.082 -14.621 4.468 1.00 13.42 C ATOM 415 SG CYS A 26 -6.109 -14.975 5.911 1.00 32.14 S ATOM 0 H CYS A 26 -6.073 -11.619 4.960 1.00 31.03 H new ATOM 0 HA CYS A 26 -4.190 -12.771 5.081 1.00 34.01 H new ATOM 0 HB2 CYS A 26 -5.571 -15.020 3.579 1.00 13.42 H new ATOM 0 HB3 CYS A 26 -4.132 -15.146 4.572 1.00 13.42 H new ATOM 0 HG CYS A 26 -6.292 -16.258 6.009 1.00 32.14 H new ATOM 421 N PHE A 27 -4.441 -13.621 1.904 1.00 74.15 N ATOM 422 CA PHE A 27 -3.875 -13.469 0.564 1.00 42.24 C ATOM 423 C PHE A 27 -4.533 -14.447 -0.409 1.00 54.24 C ATOM 424 O PHE A 27 -4.083 -14.585 -1.543 1.00 70.44 O ATOM 425 CB PHE A 27 -2.351 -13.682 0.559 1.00 52.30 C ATOM 426 CG PHE A 27 -1.908 -15.060 0.971 1.00 3.34 C ATOM 427 CD1 PHE A 27 -1.807 -15.401 2.311 1.00 35.34 C ATOM 428 CD2 PHE A 27 -1.580 -16.011 0.018 1.00 74.41 C ATOM 429 CE1 PHE A 27 -1.394 -16.661 2.692 1.00 31.13 C ATOM 430 CE2 PHE A 27 -1.166 -17.275 0.393 1.00 72.35 C ATOM 431 CZ PHE A 27 -1.072 -17.599 1.731 1.00 51.34 C ATOM 0 H PHE A 27 -5.180 -14.322 1.959 1.00 74.15 H new ATOM 0 HA PHE A 27 -4.075 -12.447 0.244 1.00 42.24 H new ATOM 0 HB2 PHE A 27 -1.972 -13.478 -0.442 1.00 52.30 H new ATOM 0 HB3 PHE A 27 -1.894 -12.953 1.228 1.00 52.30 H new ATOM 0 HD1 PHE A 27 -2.055 -14.670 3.067 1.00 35.34 H new ATOM 0 HD2 PHE A 27 -1.649 -15.761 -1.030 1.00 74.41 H new ATOM 0 HE1 PHE A 27 -1.323 -16.913 3.740 1.00 31.13 H new ATOM 0 HE2 PHE A 27 -0.916 -18.008 -0.360 1.00 72.35 H new ATOM 0 HZ PHE A 27 -0.747 -18.586 2.026 1.00 51.34 H new ATOM 441 N ALA A 28 -5.635 -15.065 0.033 1.00 60.15 N ATOM 442 CA ALA A 28 -6.267 -16.189 -0.675 1.00 61.14 C ATOM 443 C ALA A 28 -6.361 -15.972 -2.183 1.00 63.33 C ATOM 444 O ALA A 28 -5.606 -16.562 -2.955 1.00 31.00 O ATOM 445 CB ALA A 28 -7.651 -16.450 -0.104 1.00 71.33 C ATOM 0 H ALA A 28 -6.116 -14.801 0.893 1.00 60.15 H new ATOM 0 HA ALA A 28 -5.626 -17.057 -0.520 1.00 61.14 H new ATOM 0 HB1 ALA A 28 -8.112 -17.284 -0.634 1.00 71.33 H new ATOM 0 HB2 ALA A 28 -7.568 -16.695 0.955 1.00 71.33 H new ATOM 0 HB3 ALA A 28 -8.268 -15.559 -0.223 1.00 71.33 H new ATOM 451 N ASN A 29 -7.296 -15.137 -2.597 1.00 14.44 N ATOM 452 CA ASN A 29 -7.435 -14.785 -4.005 1.00 33.24 C ATOM 453 C ASN A 29 -6.770 -13.441 -4.248 1.00 0.22 C ATOM 454 O ASN A 29 -6.826 -12.888 -5.343 1.00 43.42 O ATOM 455 CB ASN A 29 -8.917 -14.711 -4.404 1.00 61.33 C ATOM 456 CG ASN A 29 -9.679 -13.631 -3.650 1.00 3.23 C ATOM 457 OD1 ASN A 29 -9.394 -13.346 -2.484 1.00 74.11 O ATOM 458 ND2 ASN A 29 -10.651 -13.018 -4.311 1.00 34.04 N ATOM 0 H ASN A 29 -7.973 -14.688 -1.980 1.00 14.44 H new ATOM 0 HA ASN A 29 -6.956 -15.553 -4.612 1.00 33.24 H new ATOM 0 HB2 ASN A 29 -8.991 -14.521 -5.475 1.00 61.33 H new ATOM 0 HB3 ASN A 29 -9.387 -15.677 -4.219 1.00 61.33 H new ATOM 0 HD21 ASN A 29 -11.192 -12.283 -3.856 1.00 34.04 H new ATOM 0 HD22 ASN A 29 -10.857 -13.281 -5.275 1.00 34.04 H new ATOM 465 N ALA A 30 -6.089 -12.957 -3.219 1.00 72.11 N ATOM 466 CA ALA A 30 -5.646 -11.577 -3.169 1.00 64.52 C ATOM 467 C ALA A 30 -4.360 -11.343 -3.946 1.00 21.22 C ATOM 468 O ALA A 30 -3.929 -10.205 -4.077 1.00 33.13 O ATOM 469 CB ALA A 30 -5.476 -11.135 -1.726 1.00 25.40 C ATOM 0 H ALA A 30 -5.831 -13.509 -2.401 1.00 72.11 H new ATOM 0 HA ALA A 30 -6.419 -10.977 -3.649 1.00 64.52 H new ATOM 0 HB1 ALA A 30 -5.143 -10.097 -1.700 1.00 25.40 H new ATOM 0 HB2 ALA A 30 -6.429 -11.224 -1.204 1.00 25.40 H new ATOM 0 HB3 ALA A 30 -4.734 -11.766 -1.237 1.00 25.40 H new ATOM 475 N GLU A 31 -3.741 -12.394 -4.461 1.00 23.11 N ATOM 476 CA GLU A 31 -2.529 -12.216 -5.251 1.00 42.45 C ATOM 477 C GLU A 31 -2.853 -11.637 -6.633 1.00 72.15 C ATOM 478 O GLU A 31 -2.408 -10.530 -6.973 1.00 61.04 O ATOM 479 CB GLU A 31 -1.728 -13.524 -5.351 1.00 24.42 C ATOM 480 CG GLU A 31 -2.561 -14.773 -5.588 1.00 41.43 C ATOM 481 CD GLU A 31 -1.702 -16.017 -5.704 1.00 75.35 C ATOM 482 OE1 GLU A 31 -0.957 -16.327 -4.753 1.00 44.03 O ATOM 483 OE2 GLU A 31 -1.765 -16.692 -6.755 1.00 32.23 O ATOM 0 H GLU A 31 -4.048 -13.360 -4.351 1.00 23.11 H new ATOM 0 HA GLU A 31 -1.896 -11.494 -4.736 1.00 42.45 H new ATOM 0 HB2 GLU A 31 -1.006 -13.429 -6.162 1.00 24.42 H new ATOM 0 HB3 GLU A 31 -1.159 -13.655 -4.431 1.00 24.42 H new ATOM 0 HG2 GLU A 31 -3.269 -14.897 -4.769 1.00 41.43 H new ATOM 0 HG3 GLU A 31 -3.146 -14.651 -6.499 1.00 41.43 H new ATOM 490 N ASP A 32 -3.656 -12.354 -7.416 1.00 54.44 N ATOM 491 CA ASP A 32 -4.073 -11.845 -8.719 1.00 60.04 C ATOM 492 C ASP A 32 -4.983 -10.648 -8.524 1.00 31.34 C ATOM 493 O ASP A 32 -4.872 -9.657 -9.237 1.00 14.53 O ATOM 494 CB ASP A 32 -4.792 -12.910 -9.549 1.00 21.44 C ATOM 495 CG ASP A 32 -5.140 -12.406 -10.943 1.00 12.11 C ATOM 496 OD1 ASP A 32 -4.247 -12.404 -11.816 1.00 52.34 O ATOM 497 OD2 ASP A 32 -6.299 -11.999 -11.171 1.00 24.33 O ATOM 0 H ASP A 32 -4.025 -13.274 -7.176 1.00 54.44 H new ATOM 0 HA ASP A 32 -3.177 -11.553 -9.266 1.00 60.04 H new ATOM 0 HB2 ASP A 32 -4.160 -13.794 -9.630 1.00 21.44 H new ATOM 0 HB3 ASP A 32 -5.704 -13.216 -9.036 1.00 21.44 H new ATOM 502 N PHE A 33 -5.861 -10.743 -7.526 1.00 51.34 N ATOM 503 CA PHE A 33 -6.750 -9.645 -7.157 1.00 31.31 C ATOM 504 C PHE A 33 -5.960 -8.371 -6.878 1.00 33.22 C ATOM 505 O PHE A 33 -6.370 -7.278 -7.274 1.00 11.31 O ATOM 506 CB PHE A 33 -7.587 -10.039 -5.931 1.00 65.44 C ATOM 507 CG PHE A 33 -8.121 -8.873 -5.147 1.00 4.20 C ATOM 508 CD1 PHE A 33 -9.185 -8.127 -5.621 1.00 43.03 C ATOM 509 CD2 PHE A 33 -7.539 -8.519 -3.938 1.00 30.44 C ATOM 510 CE1 PHE A 33 -9.666 -7.049 -4.903 1.00 34.22 C ATOM 511 CE2 PHE A 33 -8.014 -7.440 -3.218 1.00 22.34 C ATOM 512 CZ PHE A 33 -9.079 -6.705 -3.701 1.00 30.24 C ATOM 0 H PHE A 33 -5.975 -11.580 -6.954 1.00 51.34 H new ATOM 0 HA PHE A 33 -7.419 -9.446 -7.994 1.00 31.31 H new ATOM 0 HB2 PHE A 33 -8.424 -10.655 -6.260 1.00 65.44 H new ATOM 0 HB3 PHE A 33 -6.977 -10.656 -5.272 1.00 65.44 H new ATOM 0 HD1 PHE A 33 -9.645 -8.390 -6.562 1.00 43.03 H new ATOM 0 HD2 PHE A 33 -6.707 -9.092 -3.556 1.00 30.44 H new ATOM 0 HE1 PHE A 33 -10.500 -6.476 -5.281 1.00 34.22 H new ATOM 0 HE2 PHE A 33 -7.553 -7.172 -2.279 1.00 22.34 H new ATOM 0 HZ PHE A 33 -9.453 -5.862 -3.139 1.00 30.24 H new ATOM 522 N ARG A 34 -4.823 -8.515 -6.203 1.00 53.24 N ATOM 523 CA ARG A 34 -3.986 -7.373 -5.881 1.00 2.31 C ATOM 524 C ARG A 34 -3.514 -6.690 -7.145 1.00 21.04 C ATOM 525 O ARG A 34 -3.781 -5.509 -7.360 1.00 3.13 O ATOM 526 CB ARG A 34 -2.764 -7.784 -5.066 1.00 3.24 C ATOM 527 CG ARG A 34 -1.944 -6.597 -4.608 1.00 13.32 C ATOM 528 CD ARG A 34 -2.708 -5.772 -3.585 1.00 62.02 C ATOM 529 NE ARG A 34 -3.028 -6.540 -2.378 1.00 63.35 N ATOM 530 CZ ARG A 34 -4.192 -6.460 -1.731 1.00 53.22 C ATOM 531 NH1 ARG A 34 -5.156 -5.673 -2.200 1.00 14.20 N ATOM 532 NH2 ARG A 34 -4.394 -7.165 -0.620 1.00 33.32 N ATOM 0 H ARG A 34 -4.464 -9.410 -5.871 1.00 53.24 H new ATOM 0 HA ARG A 34 -4.594 -6.689 -5.289 1.00 2.31 H new ATOM 0 HB2 ARG A 34 -3.088 -8.355 -4.196 1.00 3.24 H new ATOM 0 HB3 ARG A 34 -2.137 -8.444 -5.665 1.00 3.24 H new ATOM 0 HG2 ARG A 34 -1.006 -6.944 -4.174 1.00 13.32 H new ATOM 0 HG3 ARG A 34 -1.688 -5.974 -5.465 1.00 13.32 H new ATOM 0 HD2 ARG A 34 -2.116 -4.899 -3.311 1.00 62.02 H new ATOM 0 HD3 ARG A 34 -3.631 -5.404 -4.034 1.00 62.02 H new ATOM 0 HE ARG A 34 -2.318 -7.174 -2.011 1.00 63.35 H new ATOM 0 HH11 ARG A 34 -5.004 -5.133 -3.052 1.00 14.20 H new ATOM 0 HH12 ARG A 34 -6.047 -5.609 -1.708 1.00 14.20 H new ATOM 0 HH21 ARG A 34 -3.657 -7.770 -0.259 1.00 33.32 H new ATOM 0 HH22 ARG A 34 -5.286 -7.100 -0.130 1.00 33.32 H new ATOM 546 N ARG A 35 -2.812 -7.440 -7.985 1.00 42.15 N ATOM 547 CA ARG A 35 -2.269 -6.868 -9.203 1.00 21.41 C ATOM 548 C ARG A 35 -3.396 -6.410 -10.123 1.00 13.35 C ATOM 549 O ARG A 35 -3.247 -5.440 -10.849 1.00 14.33 O ATOM 550 CB ARG A 35 -1.312 -7.851 -9.906 1.00 2.31 C ATOM 551 CG ARG A 35 -1.949 -9.125 -10.454 1.00 24.02 C ATOM 552 CD ARG A 35 -2.402 -8.951 -11.897 1.00 21.14 C ATOM 553 NE ARG A 35 -2.752 -10.223 -12.527 1.00 51.45 N ATOM 554 CZ ARG A 35 -2.487 -10.513 -13.799 1.00 32.43 C ATOM 555 NH1 ARG A 35 -1.890 -9.620 -14.578 1.00 61.35 N ATOM 556 NH2 ARG A 35 -2.821 -11.698 -14.291 1.00 11.25 N ATOM 0 H ARG A 35 -2.609 -8.430 -7.846 1.00 42.15 H new ATOM 0 HA ARG A 35 -1.679 -5.991 -8.939 1.00 21.41 H new ATOM 0 HB2 ARG A 35 -0.826 -7.328 -10.729 1.00 2.31 H new ATOM 0 HB3 ARG A 35 -0.530 -8.133 -9.201 1.00 2.31 H new ATOM 0 HG2 ARG A 35 -1.233 -9.945 -10.393 1.00 24.02 H new ATOM 0 HG3 ARG A 35 -2.803 -9.401 -9.835 1.00 24.02 H new ATOM 0 HD2 ARG A 35 -3.264 -8.284 -11.927 1.00 21.14 H new ATOM 0 HD3 ARG A 35 -1.608 -8.471 -12.469 1.00 21.14 H new ATOM 0 HE ARG A 35 -3.225 -10.927 -11.961 1.00 51.45 H new ATOM 0 HH11 ARG A 35 -1.632 -8.707 -14.203 1.00 61.35 H new ATOM 0 HH12 ARG A 35 -1.689 -9.846 -15.552 1.00 61.35 H new ATOM 0 HH21 ARG A 35 -3.281 -12.386 -13.695 1.00 11.25 H new ATOM 0 HH22 ARG A 35 -2.618 -11.921 -15.265 1.00 11.25 H new ATOM 570 N ARG A 36 -4.531 -7.094 -10.038 1.00 43.33 N ATOM 571 CA ARG A 36 -5.710 -6.787 -10.843 1.00 41.03 C ATOM 572 C ARG A 36 -6.231 -5.381 -10.543 1.00 44.40 C ATOM 573 O ARG A 36 -6.098 -4.458 -11.353 1.00 64.04 O ATOM 574 CB ARG A 36 -6.815 -7.800 -10.524 1.00 62.41 C ATOM 575 CG ARG A 36 -7.878 -7.952 -11.597 1.00 75.34 C ATOM 576 CD ARG A 36 -7.393 -8.845 -12.724 1.00 75.41 C ATOM 577 NE ARG A 36 -8.475 -9.226 -13.627 1.00 20.55 N ATOM 578 CZ ARG A 36 -8.699 -10.476 -14.030 1.00 65.53 C ATOM 579 NH1 ARG A 36 -7.996 -11.481 -13.515 1.00 52.22 N ATOM 580 NH2 ARG A 36 -9.652 -10.723 -14.919 1.00 62.11 N ATOM 0 H ARG A 36 -4.661 -7.883 -9.405 1.00 43.33 H new ATOM 0 HA ARG A 36 -5.430 -6.840 -11.895 1.00 41.03 H new ATOM 0 HB2 ARG A 36 -6.355 -8.773 -10.349 1.00 62.41 H new ATOM 0 HB3 ARG A 36 -7.300 -7.505 -9.593 1.00 62.41 H new ATOM 0 HG2 ARG A 36 -8.783 -8.373 -11.159 1.00 75.34 H new ATOM 0 HG3 ARG A 36 -8.142 -6.972 -11.994 1.00 75.34 H new ATOM 0 HD2 ARG A 36 -6.616 -8.328 -13.287 1.00 75.41 H new ATOM 0 HD3 ARG A 36 -6.938 -9.743 -12.305 1.00 75.41 H new ATOM 0 HE ARG A 36 -9.096 -8.492 -13.969 1.00 20.55 H new ATOM 0 HH11 ARG A 36 -7.283 -11.296 -12.809 1.00 52.22 H new ATOM 0 HH12 ARG A 36 -8.170 -12.437 -13.826 1.00 52.22 H new ATOM 0 HH21 ARG A 36 -10.212 -9.957 -15.293 1.00 62.11 H new ATOM 0 HH22 ARG A 36 -9.825 -11.679 -15.229 1.00 62.11 H new ATOM 594 N ALA A 37 -6.797 -5.228 -9.351 1.00 74.24 N ATOM 595 CA ALA A 37 -7.477 -3.998 -8.965 1.00 13.14 C ATOM 596 C ALA A 37 -6.530 -2.808 -8.956 1.00 5.11 C ATOM 597 O ALA A 37 -6.869 -1.734 -9.440 1.00 51.34 O ATOM 598 CB ALA A 37 -8.131 -4.162 -7.603 1.00 74.03 C ATOM 0 H ALA A 37 -6.798 -5.949 -8.629 1.00 74.24 H new ATOM 0 HA ALA A 37 -8.247 -3.800 -9.710 1.00 13.14 H new ATOM 0 HB1 ALA A 37 -8.635 -3.236 -7.328 1.00 74.03 H new ATOM 0 HB2 ALA A 37 -8.858 -4.973 -7.644 1.00 74.03 H new ATOM 0 HB3 ALA A 37 -7.369 -4.395 -6.859 1.00 74.03 H new ATOM 604 N LEU A 38 -5.335 -3.005 -8.428 1.00 33.31 N ATOM 605 CA LEU A 38 -4.385 -1.912 -8.301 1.00 72.24 C ATOM 606 C LEU A 38 -3.882 -1.455 -9.669 1.00 45.51 C ATOM 607 O LEU A 38 -3.792 -0.256 -9.940 1.00 14.20 O ATOM 608 CB LEU A 38 -3.216 -2.311 -7.394 1.00 42.51 C ATOM 609 CG LEU A 38 -3.470 -2.170 -5.884 1.00 13.52 C ATOM 610 CD1 LEU A 38 -4.639 -3.037 -5.430 1.00 43.42 C ATOM 611 CD2 LEU A 38 -2.217 -2.522 -5.099 1.00 55.22 C ATOM 0 H LEU A 38 -5.000 -3.904 -8.082 1.00 33.31 H new ATOM 0 HA LEU A 38 -4.902 -1.071 -7.840 1.00 72.24 H new ATOM 0 HB2 LEU A 38 -2.953 -3.348 -7.605 1.00 42.51 H new ATOM 0 HB3 LEU A 38 -2.351 -1.703 -7.657 1.00 42.51 H new ATOM 0 HG LEU A 38 -3.730 -1.130 -5.688 1.00 13.52 H new ATOM 0 HD11 LEU A 38 -4.790 -2.912 -4.358 1.00 43.42 H new ATOM 0 HD12 LEU A 38 -5.542 -2.737 -5.961 1.00 43.42 H new ATOM 0 HD13 LEU A 38 -4.422 -4.083 -5.647 1.00 43.42 H new ATOM 0 HD21 LEU A 38 -2.414 -2.417 -4.032 1.00 55.22 H new ATOM 0 HD22 LEU A 38 -1.929 -3.551 -5.315 1.00 55.22 H new ATOM 0 HD23 LEU A 38 -1.407 -1.851 -5.386 1.00 55.22 H new ATOM 623 N THR A 39 -3.583 -2.394 -10.556 1.00 53.45 N ATOM 624 CA THR A 39 -3.067 -2.022 -11.859 1.00 14.40 C ATOM 625 C THR A 39 -4.139 -1.300 -12.664 1.00 1.24 C ATOM 626 O THR A 39 -3.826 -0.466 -13.512 1.00 32.44 O ATOM 627 CB THR A 39 -2.522 -3.239 -12.648 1.00 73.14 C ATOM 628 OG1 THR A 39 -1.553 -2.813 -13.615 1.00 45.24 O ATOM 629 CG2 THR A 39 -3.635 -3.998 -13.355 1.00 73.54 C ATOM 0 H THR A 39 -3.687 -3.397 -10.400 1.00 53.45 H new ATOM 0 HA THR A 39 -2.226 -1.348 -11.694 1.00 14.40 H new ATOM 0 HB THR A 39 -2.055 -3.908 -11.926 1.00 73.14 H new ATOM 0 HG1 THR A 39 -1.216 -3.592 -14.105 1.00 45.24 H new ATOM 0 HG21 THR A 39 -3.211 -4.844 -13.897 1.00 73.54 H new ATOM 0 HG22 THR A 39 -4.352 -4.361 -12.619 1.00 73.54 H new ATOM 0 HG23 THR A 39 -4.140 -3.334 -14.057 1.00 73.54 H new ATOM 637 N VAL A 40 -5.402 -1.586 -12.372 1.00 50.12 N ATOM 638 CA VAL A 40 -6.484 -0.972 -13.121 1.00 44.42 C ATOM 639 C VAL A 40 -6.968 0.326 -12.461 1.00 20.34 C ATOM 640 O VAL A 40 -7.650 1.129 -13.095 1.00 3.41 O ATOM 641 CB VAL A 40 -7.656 -1.957 -13.334 1.00 12.00 C ATOM 642 CG1 VAL A 40 -8.513 -2.086 -12.085 1.00 32.12 C ATOM 643 CG2 VAL A 40 -8.496 -1.553 -14.531 1.00 0.21 C ATOM 0 H VAL A 40 -5.696 -2.227 -11.635 1.00 50.12 H new ATOM 0 HA VAL A 40 -6.085 -0.712 -14.102 1.00 44.42 H new ATOM 0 HB VAL A 40 -7.226 -2.938 -13.538 1.00 12.00 H new ATOM 0 HG11 VAL A 40 -9.327 -2.787 -12.273 1.00 32.12 H new ATOM 0 HG12 VAL A 40 -7.902 -2.453 -11.260 1.00 32.12 H new ATOM 0 HG13 VAL A 40 -8.926 -1.111 -11.825 1.00 32.12 H new ATOM 0 HG21 VAL A 40 -9.313 -2.263 -14.658 1.00 0.21 H new ATOM 0 HG22 VAL A 40 -8.904 -0.555 -14.369 1.00 0.21 H new ATOM 0 HG23 VAL A 40 -7.875 -1.550 -15.427 1.00 0.21 H new ATOM 653 N VAL A 41 -6.617 0.537 -11.192 1.00 11.45 N ATOM 654 CA VAL A 41 -6.782 1.861 -10.587 1.00 70.10 C ATOM 655 C VAL A 41 -5.545 2.693 -10.896 1.00 12.43 C ATOM 656 O VAL A 41 -5.418 3.836 -10.462 1.00 70.41 O ATOM 657 CB VAL A 41 -7.044 1.825 -9.061 1.00 70.42 C ATOM 658 CG1 VAL A 41 -8.312 1.046 -8.755 1.00 63.25 C ATOM 659 CG2 VAL A 41 -5.860 1.249 -8.301 1.00 41.53 C ATOM 0 H VAL A 41 -6.225 -0.173 -10.574 1.00 11.45 H new ATOM 0 HA VAL A 41 -7.674 2.310 -11.023 1.00 70.10 H new ATOM 0 HB VAL A 41 -7.178 2.853 -8.725 1.00 70.42 H new ATOM 0 HG11 VAL A 41 -8.479 1.032 -7.678 1.00 63.25 H new ATOM 0 HG12 VAL A 41 -9.160 1.522 -9.248 1.00 63.25 H new ATOM 0 HG13 VAL A 41 -8.208 0.024 -9.120 1.00 63.25 H new ATOM 0 HG21 VAL A 41 -6.082 1.240 -7.234 1.00 41.53 H new ATOM 0 HG22 VAL A 41 -5.670 0.231 -8.640 1.00 41.53 H new ATOM 0 HG23 VAL A 41 -4.978 1.862 -8.483 1.00 41.53 H new ATOM 669 N ASP A 42 -4.633 2.052 -11.634 1.00 61.45 N ATOM 670 CA ASP A 42 -3.504 2.702 -12.310 1.00 60.11 C ATOM 671 C ASP A 42 -2.248 2.694 -11.458 1.00 65.11 C ATOM 672 O ASP A 42 -1.718 3.744 -11.100 1.00 40.22 O ATOM 673 CB ASP A 42 -3.825 4.131 -12.778 1.00 34.35 C ATOM 674 CG ASP A 42 -4.856 4.169 -13.880 1.00 72.44 C ATOM 675 OD1 ASP A 42 -4.691 3.431 -14.860 1.00 53.33 O ATOM 676 OD2 ASP A 42 -5.827 4.950 -13.780 1.00 23.12 O ATOM 0 H ASP A 42 -4.659 1.043 -11.782 1.00 61.45 H new ATOM 0 HA ASP A 42 -3.317 2.104 -13.202 1.00 60.11 H new ATOM 0 HB2 ASP A 42 -4.185 4.714 -11.930 1.00 34.35 H new ATOM 0 HB3 ASP A 42 -2.909 4.608 -13.127 1.00 34.35 H new ATOM 681 N GLN A 43 -1.771 1.498 -11.141 1.00 2.25 N ATOM 682 CA GLN A 43 -0.495 1.346 -10.456 1.00 33.01 C ATOM 683 C GLN A 43 0.630 1.216 -11.481 1.00 71.22 C ATOM 684 O GLN A 43 1.797 1.444 -11.173 1.00 62.04 O ATOM 685 CB GLN A 43 -0.513 0.120 -9.537 1.00 30.13 C ATOM 686 CG GLN A 43 -0.292 -1.203 -10.259 1.00 53.33 C ATOM 687 CD GLN A 43 -0.239 -2.384 -9.313 1.00 32.24 C ATOM 688 OE1 GLN A 43 0.143 -2.253 -8.154 1.00 44.34 O ATOM 689 NE2 GLN A 43 -0.615 -3.554 -9.805 1.00 41.02 N ATOM 0 H GLN A 43 -2.248 0.620 -11.347 1.00 2.25 H new ATOM 0 HA GLN A 43 -0.323 2.230 -9.842 1.00 33.01 H new ATOM 0 HB2 GLN A 43 0.258 0.239 -8.776 1.00 30.13 H new ATOM 0 HB3 GLN A 43 -1.471 0.083 -9.018 1.00 30.13 H new ATOM 0 HG2 GLN A 43 -1.094 -1.357 -10.981 1.00 53.33 H new ATOM 0 HG3 GLN A 43 0.639 -1.153 -10.823 1.00 53.33 H new ATOM 0 HE21 GLN A 43 -0.927 -3.623 -10.774 1.00 41.02 H new ATOM 0 HE22 GLN A 43 -0.593 -4.386 -9.215 1.00 41.02 H new ATOM 698 N ASP A 44 0.255 0.853 -12.708 1.00 10.41 N ATOM 699 CA ASP A 44 1.223 0.669 -13.788 1.00 15.13 C ATOM 700 C ASP A 44 0.741 1.331 -15.098 1.00 32.03 C ATOM 701 O ASP A 44 0.548 0.666 -16.115 1.00 52.44 O ATOM 702 CB ASP A 44 1.493 -0.839 -13.983 1.00 14.23 C ATOM 703 CG ASP A 44 2.406 -1.162 -15.158 1.00 2.43 C ATOM 704 OD1 ASP A 44 3.606 -0.827 -15.105 1.00 5.23 O ATOM 705 OD2 ASP A 44 1.914 -1.760 -16.145 1.00 31.45 O ATOM 0 H ASP A 44 -0.713 0.681 -12.978 1.00 10.41 H new ATOM 0 HA ASP A 44 2.156 1.162 -13.513 1.00 15.13 H new ATOM 0 HB2 ASP A 44 1.938 -1.238 -13.071 1.00 14.23 H new ATOM 0 HB3 ASP A 44 0.542 -1.352 -14.125 1.00 14.23 H new ATOM 710 N PRO A 45 0.465 2.652 -15.083 1.00 32.53 N ATOM 711 CA PRO A 45 0.261 3.417 -16.307 1.00 74.14 C ATOM 712 C PRO A 45 1.564 4.051 -16.806 1.00 32.44 C ATOM 713 O PRO A 45 2.074 3.697 -17.869 1.00 42.43 O ATOM 714 CB PRO A 45 -0.753 4.486 -15.893 1.00 12.01 C ATOM 715 CG PRO A 45 -0.573 4.673 -14.416 1.00 31.03 C ATOM 716 CD PRO A 45 0.253 3.488 -13.895 1.00 65.13 C ATOM 0 HA PRO A 45 -0.085 2.797 -17.135 1.00 74.14 H new ATOM 0 HB2 PRO A 45 -0.578 5.419 -16.429 1.00 12.01 H new ATOM 0 HB3 PRO A 45 -1.770 4.171 -16.126 1.00 12.01 H new ATOM 0 HG2 PRO A 45 -0.065 5.615 -14.208 1.00 31.03 H new ATOM 0 HG3 PRO A 45 -1.540 4.715 -13.915 1.00 31.03 H new ATOM 0 HD2 PRO A 45 1.199 3.819 -13.466 1.00 65.13 H new ATOM 0 HD3 PRO A 45 -0.278 2.944 -13.114 1.00 65.13 H new ATOM 724 N GLY A 46 2.106 4.979 -16.022 1.00 30.10 N ATOM 725 CA GLY A 46 3.354 5.626 -16.368 1.00 52.23 C ATOM 726 C GLY A 46 3.782 6.608 -15.304 1.00 31.34 C ATOM 727 O GLY A 46 4.198 6.210 -14.217 1.00 54.45 O ATOM 0 H GLY A 46 1.695 5.295 -15.144 1.00 30.10 H new ATOM 0 HA2 GLY A 46 4.130 4.873 -16.503 1.00 52.23 H new ATOM 0 HA3 GLY A 46 3.244 6.145 -17.320 1.00 52.23 H new ATOM 731 N GLN A 47 3.666 7.891 -15.604 1.00 14.14 N ATOM 732 CA GLN A 47 3.984 8.921 -14.636 1.00 63.03 C ATOM 733 C GLN A 47 2.733 9.286 -13.848 1.00 25.24 C ATOM 734 O GLN A 47 1.982 10.184 -14.229 1.00 5.33 O ATOM 735 CB GLN A 47 4.550 10.160 -15.325 1.00 13.00 C ATOM 736 CG GLN A 47 5.015 11.233 -14.351 1.00 64.34 C ATOM 737 CD GLN A 47 5.353 12.539 -15.043 1.00 14.04 C ATOM 738 OE1 GLN A 47 4.762 12.879 -16.068 1.00 43.20 O ATOM 739 NE2 GLN A 47 6.301 13.279 -14.494 1.00 75.31 N ATOM 0 H GLN A 47 3.354 8.241 -16.510 1.00 14.14 H new ATOM 0 HA GLN A 47 4.743 8.536 -13.955 1.00 63.03 H new ATOM 0 HB2 GLN A 47 5.388 9.865 -15.956 1.00 13.00 H new ATOM 0 HB3 GLN A 47 3.789 10.581 -15.982 1.00 13.00 H new ATOM 0 HG2 GLN A 47 4.235 11.409 -13.610 1.00 64.34 H new ATOM 0 HG3 GLN A 47 5.891 10.874 -13.811 1.00 64.34 H new ATOM 0 HE21 GLN A 47 6.767 12.962 -13.644 1.00 75.31 H new ATOM 0 HE22 GLN A 47 6.566 14.167 -14.920 1.00 75.31 H new ATOM 748 N VAL A 48 2.497 8.566 -12.767 1.00 73.54 N ATOM 749 CA VAL A 48 1.315 8.780 -11.956 1.00 31.32 C ATOM 750 C VAL A 48 1.699 9.094 -10.514 1.00 51.33 C ATOM 751 O VAL A 48 2.641 8.514 -9.973 1.00 22.25 O ATOM 752 CB VAL A 48 0.373 7.549 -12.013 1.00 45.35 C ATOM 753 CG1 VAL A 48 1.099 6.286 -11.578 1.00 73.44 C ATOM 754 CG2 VAL A 48 -0.878 7.771 -11.171 1.00 30.22 C ATOM 0 H VAL A 48 3.112 7.825 -12.430 1.00 73.54 H new ATOM 0 HA VAL A 48 0.779 9.637 -12.363 1.00 31.32 H new ATOM 0 HB VAL A 48 0.060 7.420 -13.049 1.00 45.35 H new ATOM 0 HG11 VAL A 48 0.416 5.438 -11.627 1.00 73.44 H new ATOM 0 HG12 VAL A 48 1.947 6.108 -12.239 1.00 73.44 H new ATOM 0 HG13 VAL A 48 1.456 6.405 -10.555 1.00 73.44 H new ATOM 0 HG21 VAL A 48 -1.518 6.891 -11.231 1.00 30.22 H new ATOM 0 HG22 VAL A 48 -0.592 7.942 -10.133 1.00 30.22 H new ATOM 0 HG23 VAL A 48 -1.419 8.640 -11.546 1.00 30.22 H new ATOM 764 N GLU A 49 0.991 10.039 -9.917 1.00 61.03 N ATOM 765 CA GLU A 49 1.212 10.411 -8.533 1.00 60.10 C ATOM 766 C GLU A 49 0.237 9.651 -7.645 1.00 61.33 C ATOM 767 O GLU A 49 -0.982 9.740 -7.833 1.00 72.42 O ATOM 768 CB GLU A 49 1.022 11.919 -8.369 1.00 71.03 C ATOM 769 CG GLU A 49 1.311 12.434 -6.969 1.00 70.45 C ATOM 770 CD GLU A 49 1.123 13.933 -6.858 1.00 11.14 C ATOM 771 OE1 GLU A 49 2.069 14.679 -7.187 1.00 24.02 O ATOM 772 OE2 GLU A 49 0.029 14.376 -6.454 1.00 64.25 O ATOM 0 H GLU A 49 0.250 10.567 -10.378 1.00 61.03 H new ATOM 0 HA GLU A 49 2.230 10.155 -8.240 1.00 60.10 H new ATOM 0 HB2 GLU A 49 1.672 12.435 -9.075 1.00 71.03 H new ATOM 0 HB3 GLU A 49 -0.004 12.176 -8.634 1.00 71.03 H new ATOM 0 HG2 GLU A 49 0.654 11.934 -6.257 1.00 70.45 H new ATOM 0 HG3 GLU A 49 2.334 12.177 -6.694 1.00 70.45 H new ATOM 779 N TRP A 50 0.756 8.893 -6.692 1.00 24.22 N ATOM 780 CA TRP A 50 -0.105 8.082 -5.850 1.00 22.53 C ATOM 781 C TRP A 50 0.627 7.520 -4.644 1.00 34.24 C ATOM 782 O TRP A 50 1.823 7.758 -4.450 1.00 60.20 O ATOM 783 CB TRP A 50 -0.727 6.940 -6.658 1.00 15.23 C ATOM 784 CG TRP A 50 0.238 5.943 -7.229 1.00 14.34 C ATOM 785 CD1 TRP A 50 1.179 6.165 -8.188 1.00 64.53 C ATOM 786 CD2 TRP A 50 0.326 4.550 -6.899 1.00 43.33 C ATOM 787 NE1 TRP A 50 1.860 5.007 -8.462 1.00 51.52 N ATOM 788 CE2 TRP A 50 1.354 4.000 -7.685 1.00 0.05 C ATOM 789 CE3 TRP A 50 -0.356 3.718 -6.004 1.00 61.43 C ATOM 790 CZ2 TRP A 50 1.710 2.655 -7.612 1.00 33.34 C ATOM 791 CZ3 TRP A 50 -0.003 2.385 -5.933 1.00 43.41 C ATOM 792 CH2 TRP A 50 1.023 1.866 -6.731 1.00 13.21 C ATOM 0 H TRP A 50 1.752 8.823 -6.485 1.00 24.22 H new ATOM 0 HA TRP A 50 -0.893 8.739 -5.481 1.00 22.53 H new ATOM 0 HB2 TRP A 50 -1.432 6.409 -6.018 1.00 15.23 H new ATOM 0 HB3 TRP A 50 -1.302 7.371 -7.477 1.00 15.23 H new ATOM 0 HD1 TRP A 50 1.363 7.117 -8.664 1.00 64.53 H new ATOM 0 HE1 TRP A 50 2.620 4.911 -9.135 1.00 51.52 H new ATOM 0 HE3 TRP A 50 -1.145 4.112 -5.380 1.00 61.43 H new ATOM 0 HZ2 TRP A 50 2.499 2.250 -8.228 1.00 33.34 H new ATOM 0 HZ3 TRP A 50 -0.527 1.732 -5.251 1.00 43.41 H new ATOM 0 HH2 TRP A 50 1.278 0.820 -6.649 1.00 13.21 H new ATOM 803 N PHE A 51 -0.113 6.785 -3.828 1.00 13.00 N ATOM 804 CA PHE A 51 0.460 6.128 -2.675 1.00 71.02 C ATOM 805 C PHE A 51 -0.547 5.186 -2.028 1.00 2.02 C ATOM 806 O PHE A 51 -1.763 5.370 -2.144 1.00 22.02 O ATOM 807 CB PHE A 51 0.961 7.157 -1.654 1.00 31.13 C ATOM 808 CG PHE A 51 -0.114 7.873 -0.887 1.00 55.30 C ATOM 809 CD1 PHE A 51 -0.576 7.359 0.313 1.00 21.41 C ATOM 810 CD2 PHE A 51 -0.643 9.064 -1.349 1.00 25.03 C ATOM 811 CE1 PHE A 51 -1.541 8.016 1.038 1.00 54.22 C ATOM 812 CE2 PHE A 51 -1.616 9.727 -0.629 1.00 23.24 C ATOM 813 CZ PHE A 51 -2.066 9.202 0.567 1.00 3.10 C ATOM 0 H PHE A 51 -1.114 6.631 -3.948 1.00 13.00 H new ATOM 0 HA PHE A 51 1.311 5.538 -3.016 1.00 71.02 H new ATOM 0 HB2 PHE A 51 1.616 6.652 -0.944 1.00 31.13 H new ATOM 0 HB3 PHE A 51 1.567 7.897 -2.176 1.00 31.13 H new ATOM 0 HD1 PHE A 51 -0.172 6.429 0.684 1.00 21.41 H new ATOM 0 HD2 PHE A 51 -0.292 9.479 -2.282 1.00 25.03 H new ATOM 0 HE1 PHE A 51 -1.888 7.605 1.975 1.00 54.22 H new ATOM 0 HE2 PHE A 51 -2.025 10.655 -1.000 1.00 23.24 H new ATOM 0 HZ PHE A 51 -2.827 9.719 1.132 1.00 3.10 H new ATOM 823 N VAL A 52 -0.036 4.171 -1.364 1.00 41.01 N ATOM 824 CA VAL A 52 -0.877 3.277 -0.594 1.00 14.13 C ATOM 825 C VAL A 52 -0.523 3.403 0.873 1.00 65.13 C ATOM 826 O VAL A 52 0.650 3.554 1.231 1.00 14.14 O ATOM 827 CB VAL A 52 -0.757 1.807 -1.056 1.00 22.12 C ATOM 828 CG1 VAL A 52 -1.109 1.671 -2.528 1.00 75.31 C ATOM 829 CG2 VAL A 52 0.634 1.266 -0.795 1.00 61.13 C ATOM 0 H VAL A 52 0.958 3.944 -1.341 1.00 41.01 H new ATOM 0 HA VAL A 52 -1.915 3.569 -0.755 1.00 14.13 H new ATOM 0 HB VAL A 52 -1.467 1.218 -0.476 1.00 22.12 H new ATOM 0 HG11 VAL A 52 -1.017 0.627 -2.829 1.00 75.31 H new ATOM 0 HG12 VAL A 52 -2.133 2.006 -2.690 1.00 75.31 H new ATOM 0 HG13 VAL A 52 -0.429 2.281 -3.123 1.00 75.31 H new ATOM 0 HG21 VAL A 52 0.690 0.230 -1.130 1.00 61.13 H new ATOM 0 HG22 VAL A 52 1.365 1.864 -1.340 1.00 61.13 H new ATOM 0 HG23 VAL A 52 0.849 1.315 0.272 1.00 61.13 H new ATOM 839 N LEU A 53 -1.523 3.382 1.725 1.00 0.14 N ATOM 840 CA LEU A 53 -1.291 3.618 3.133 1.00 31.23 C ATOM 841 C LEU A 53 -2.118 2.687 4.000 1.00 51.31 C ATOM 842 O LEU A 53 -3.213 2.251 3.628 1.00 41.44 O ATOM 843 CB LEU A 53 -1.524 5.109 3.498 1.00 62.41 C ATOM 844 CG LEU A 53 -2.966 5.676 3.468 1.00 42.35 C ATOM 845 CD1 LEU A 53 -3.728 5.259 2.223 1.00 25.11 C ATOM 846 CD2 LEU A 53 -3.735 5.307 4.728 1.00 2.04 C ATOM 0 H LEU A 53 -2.495 3.206 1.472 1.00 0.14 H new ATOM 0 HA LEU A 53 -0.244 3.393 3.337 1.00 31.23 H new ATOM 0 HB2 LEU A 53 -1.130 5.267 4.502 1.00 62.41 H new ATOM 0 HB3 LEU A 53 -0.920 5.712 2.820 1.00 62.41 H new ATOM 0 HG LEU A 53 -2.871 6.761 3.434 1.00 42.35 H new ATOM 0 HD11 LEU A 53 -4.732 5.683 2.252 1.00 25.11 H new ATOM 0 HD12 LEU A 53 -3.206 5.623 1.338 1.00 25.11 H new ATOM 0 HD13 LEU A 53 -3.794 4.172 2.184 1.00 25.11 H new ATOM 0 HD21 LEU A 53 -4.742 5.720 4.674 1.00 2.04 H new ATOM 0 HD22 LEU A 53 -3.792 4.222 4.815 1.00 2.04 H new ATOM 0 HD23 LEU A 53 -3.222 5.714 5.600 1.00 2.04 H new ATOM 858 N ASN A 54 -1.561 2.355 5.144 1.00 34.44 N ATOM 859 CA ASN A 54 -2.277 1.596 6.142 1.00 14.14 C ATOM 860 C ASN A 54 -3.238 2.516 6.877 1.00 40.14 C ATOM 861 O ASN A 54 -2.814 3.343 7.682 1.00 41.43 O ATOM 862 CB ASN A 54 -1.300 0.943 7.119 1.00 21.40 C ATOM 863 CG ASN A 54 -0.616 -0.284 6.536 1.00 74.33 C ATOM 864 OD1 ASN A 54 -1.103 -1.401 6.684 1.00 21.32 O ATOM 865 ND2 ASN A 54 0.500 -0.084 5.851 1.00 13.52 N ATOM 0 H ASN A 54 -0.607 2.602 5.406 1.00 34.44 H new ATOM 0 HA ASN A 54 -2.844 0.803 5.655 1.00 14.14 H new ATOM 0 HB2 ASN A 54 -0.543 1.671 7.410 1.00 21.40 H new ATOM 0 HB3 ASN A 54 -1.835 0.659 8.025 1.00 21.40 H new ATOM 0 HD21 ASN A 54 0.985 -0.873 5.425 1.00 13.52 H new ATOM 0 HD22 ASN A 54 0.874 0.859 5.750 1.00 13.52 H new ATOM 872 N ALA A 55 -4.524 2.370 6.576 1.00 73.41 N ATOM 873 CA ALA A 55 -5.559 3.260 7.092 1.00 63.34 C ATOM 874 C ALA A 55 -5.567 3.289 8.614 1.00 51.53 C ATOM 875 O ALA A 55 -5.304 4.327 9.218 1.00 44.55 O ATOM 876 CB ALA A 55 -6.925 2.844 6.567 1.00 43.33 C ATOM 0 H ALA A 55 -4.879 1.632 5.968 1.00 73.41 H new ATOM 0 HA ALA A 55 -5.333 4.267 6.741 1.00 63.34 H new ATOM 0 HB1 ALA A 55 -7.687 3.517 6.961 1.00 43.33 H new ATOM 0 HB2 ALA A 55 -6.926 2.892 5.478 1.00 43.33 H new ATOM 0 HB3 ALA A 55 -7.142 1.825 6.886 1.00 43.33 H new ATOM 882 N GLU A 56 -5.851 2.143 9.226 1.00 4.43 N ATOM 883 CA GLU A 56 -5.940 2.051 10.682 1.00 65.14 C ATOM 884 C GLU A 56 -6.181 0.614 11.122 1.00 60.33 C ATOM 885 O GLU A 56 -5.350 0.008 11.793 1.00 63.34 O ATOM 886 CB GLU A 56 -7.080 2.933 11.203 1.00 21.22 C ATOM 887 CG GLU A 56 -7.269 2.860 12.710 1.00 64.31 C ATOM 888 CD GLU A 56 -8.433 3.699 13.184 1.00 5.22 C ATOM 889 OE1 GLU A 56 -8.227 4.892 13.476 1.00 52.22 O ATOM 890 OE2 GLU A 56 -9.563 3.173 13.261 1.00 20.51 O ATOM 0 H GLU A 56 -6.024 1.264 8.737 1.00 4.43 H new ATOM 0 HA GLU A 56 -4.992 2.395 11.096 1.00 65.14 H new ATOM 0 HB2 GLU A 56 -6.886 3.967 10.920 1.00 21.22 H new ATOM 0 HB3 GLU A 56 -8.009 2.638 10.714 1.00 21.22 H new ATOM 0 HG2 GLU A 56 -7.428 1.823 13.004 1.00 64.31 H new ATOM 0 HG3 GLU A 56 -6.357 3.195 13.205 1.00 64.31 H new ATOM 897 N SER A 57 -7.310 0.076 10.698 1.00 63.40 N ATOM 898 CA SER A 57 -7.805 -1.203 11.189 1.00 35.53 C ATOM 899 C SER A 57 -7.114 -2.379 10.497 1.00 0.02 C ATOM 900 O SER A 57 -7.500 -3.535 10.661 1.00 31.21 O ATOM 901 CB SER A 57 -9.308 -1.250 10.953 1.00 22.34 C ATOM 902 OG SER A 57 -9.904 0.001 11.265 1.00 4.25 O ATOM 0 H SER A 57 -7.913 0.513 10.001 1.00 63.40 H new ATOM 0 HA SER A 57 -7.584 -1.291 12.253 1.00 35.53 H new ATOM 0 HB2 SER A 57 -9.510 -1.506 9.913 1.00 22.34 H new ATOM 0 HB3 SER A 57 -9.753 -2.034 11.566 1.00 22.34 H new ATOM 0 HG SER A 57 -10.870 -0.048 11.106 1.00 4.25 H new ATOM 908 N ASN A 58 -6.079 -2.067 9.745 1.00 40.33 N ATOM 909 CA ASN A 58 -5.340 -3.058 8.977 1.00 50.51 C ATOM 910 C ASN A 58 -4.204 -3.653 9.787 1.00 70.15 C ATOM 911 O ASN A 58 -3.104 -3.102 9.830 1.00 50.54 O ATOM 912 CB ASN A 58 -4.773 -2.416 7.721 1.00 62.34 C ATOM 913 CG ASN A 58 -4.531 -0.936 7.917 1.00 52.21 C ATOM 914 OD1 ASN A 58 -5.347 -0.106 7.527 1.00 65.11 O ATOM 915 ND2 ASN A 58 -3.441 -0.596 8.578 1.00 44.03 N ATOM 0 H ASN A 58 -5.722 -1.117 9.646 1.00 40.33 H new ATOM 0 HA ASN A 58 -6.031 -3.858 8.712 1.00 50.51 H new ATOM 0 HB2 ASN A 58 -3.838 -2.906 7.451 1.00 62.34 H new ATOM 0 HB3 ASN A 58 -5.463 -2.566 6.891 1.00 62.34 H new ATOM 0 HD21 ASN A 58 -3.253 0.386 8.781 1.00 44.03 H new ATOM 0 HD22 ASN A 58 -2.786 -1.315 8.886 1.00 44.03 H new ATOM 922 N VAL A 59 -4.474 -4.766 10.432 1.00 53.44 N ATOM 923 CA VAL A 59 -3.472 -5.434 11.246 1.00 2.34 C ATOM 924 C VAL A 59 -3.416 -6.915 10.920 1.00 3.45 C ATOM 925 O VAL A 59 -2.403 -7.424 10.445 1.00 42.13 O ATOM 926 CB VAL A 59 -3.789 -5.294 12.738 1.00 5.01 C ATOM 927 CG1 VAL A 59 -2.682 -5.898 13.586 1.00 21.33 C ATOM 928 CG2 VAL A 59 -4.028 -3.840 13.119 1.00 3.21 C ATOM 0 H VAL A 59 -5.381 -5.232 10.411 1.00 53.44 H new ATOM 0 HA VAL A 59 -2.515 -4.961 11.024 1.00 2.34 H new ATOM 0 HB VAL A 59 -4.709 -5.845 12.934 1.00 5.01 H new ATOM 0 HG11 VAL A 59 -2.930 -5.786 14.641 1.00 21.33 H new ATOM 0 HG12 VAL A 59 -2.578 -6.957 13.348 1.00 21.33 H new ATOM 0 HG13 VAL A 59 -1.743 -5.385 13.378 1.00 21.33 H new ATOM 0 HG21 VAL A 59 -4.250 -3.775 14.184 1.00 3.21 H new ATOM 0 HG22 VAL A 59 -3.135 -3.255 12.898 1.00 3.21 H new ATOM 0 HG23 VAL A 59 -4.870 -3.448 12.548 1.00 3.21 H new ATOM 938 N GLU A 60 -4.532 -7.590 11.151 1.00 55.20 N ATOM 939 CA GLU A 60 -4.607 -9.034 11.004 1.00 71.35 C ATOM 940 C GLU A 60 -5.383 -9.336 9.752 1.00 54.52 C ATOM 941 O GLU A 60 -5.740 -10.473 9.457 1.00 3.12 O ATOM 942 CB GLU A 60 -5.281 -9.645 12.228 1.00 14.54 C ATOM 943 CG GLU A 60 -4.455 -9.471 13.494 1.00 41.11 C ATOM 944 CD GLU A 60 -5.225 -9.769 14.759 1.00 35.03 C ATOM 945 OE1 GLU A 60 -5.566 -10.946 14.995 1.00 62.43 O ATOM 946 OE2 GLU A 60 -5.473 -8.826 15.541 1.00 35.45 O ATOM 0 H GLU A 60 -5.406 -7.154 11.444 1.00 55.20 H new ATOM 0 HA GLU A 60 -3.609 -9.466 10.926 1.00 71.35 H new ATOM 0 HB2 GLU A 60 -6.258 -9.184 12.369 1.00 14.54 H new ATOM 0 HB3 GLU A 60 -5.452 -10.707 12.053 1.00 14.54 H new ATOM 0 HG2 GLU A 60 -3.585 -10.126 13.444 1.00 41.11 H new ATOM 0 HG3 GLU A 60 -4.081 -8.448 13.537 1.00 41.11 H new ATOM 953 N VAL A 61 -5.606 -8.272 9.014 1.00 74.01 N ATOM 954 CA VAL A 61 -6.379 -8.308 7.800 1.00 12.41 C ATOM 955 C VAL A 61 -5.555 -8.926 6.682 1.00 64.41 C ATOM 956 O VAL A 61 -6.081 -9.466 5.705 1.00 22.13 O ATOM 957 CB VAL A 61 -6.812 -6.869 7.415 1.00 44.30 C ATOM 958 CG1 VAL A 61 -7.306 -6.128 8.646 1.00 65.20 C ATOM 959 CG2 VAL A 61 -5.682 -6.088 6.748 1.00 31.25 C ATOM 0 H VAL A 61 -5.249 -7.345 9.246 1.00 74.01 H new ATOM 0 HA VAL A 61 -7.270 -8.916 7.956 1.00 12.41 H new ATOM 0 HB VAL A 61 -7.622 -6.952 6.690 1.00 44.30 H new ATOM 0 HG11 VAL A 61 -7.608 -5.119 8.366 1.00 65.20 H new ATOM 0 HG12 VAL A 61 -8.159 -6.657 9.071 1.00 65.20 H new ATOM 0 HG13 VAL A 61 -6.506 -6.076 9.385 1.00 65.20 H new ATOM 0 HG21 VAL A 61 -6.031 -5.087 6.496 1.00 31.25 H new ATOM 0 HG22 VAL A 61 -4.836 -6.016 7.432 1.00 31.25 H new ATOM 0 HG23 VAL A 61 -5.371 -6.603 5.839 1.00 31.25 H new ATOM 969 N ASP A 62 -4.253 -8.907 6.879 1.00 10.30 N ATOM 970 CA ASP A 62 -3.332 -9.137 5.800 1.00 40.53 C ATOM 971 C ASP A 62 -2.143 -9.967 6.272 1.00 10.43 C ATOM 972 O ASP A 62 -1.504 -9.639 7.273 1.00 33.40 O ATOM 973 CB ASP A 62 -2.891 -7.773 5.297 1.00 2.15 C ATOM 974 CG ASP A 62 -2.356 -7.806 3.883 1.00 64.41 C ATOM 975 OD1 ASP A 62 -1.158 -8.084 3.695 1.00 15.22 O ATOM 976 OD2 ASP A 62 -3.136 -7.512 2.948 1.00 54.02 O ATOM 0 H ASP A 62 -3.813 -8.733 7.783 1.00 10.30 H new ATOM 0 HA ASP A 62 -3.805 -9.703 4.997 1.00 40.53 H new ATOM 0 HB2 ASP A 62 -3.735 -7.085 5.344 1.00 2.15 H new ATOM 0 HB3 ASP A 62 -2.122 -7.379 5.961 1.00 2.15 H new ATOM 981 N LEU A 63 -1.864 -11.055 5.565 1.00 0.21 N ATOM 982 CA LEU A 63 -0.821 -11.988 5.984 1.00 74.03 C ATOM 983 C LEU A 63 0.366 -11.964 5.023 1.00 55.25 C ATOM 984 O LEU A 63 1.413 -11.403 5.329 1.00 11.45 O ATOM 985 CB LEU A 63 -1.381 -13.415 6.098 1.00 32.34 C ATOM 986 CG LEU A 63 -2.150 -13.740 7.389 1.00 31.42 C ATOM 987 CD1 LEU A 63 -3.382 -12.861 7.549 1.00 71.13 C ATOM 988 CD2 LEU A 63 -2.551 -15.204 7.402 1.00 50.04 C ATOM 0 H LEU A 63 -2.342 -11.314 4.702 1.00 0.21 H new ATOM 0 HA LEU A 63 -0.470 -11.669 6.965 1.00 74.03 H new ATOM 0 HB2 LEU A 63 -2.043 -13.592 5.251 1.00 32.34 H new ATOM 0 HB3 LEU A 63 -0.552 -14.117 6.007 1.00 32.34 H new ATOM 0 HG LEU A 63 -1.486 -13.537 8.229 1.00 31.42 H new ATOM 0 HD11 LEU A 63 -3.898 -13.122 8.473 1.00 71.13 H new ATOM 0 HD12 LEU A 63 -3.080 -11.814 7.585 1.00 71.13 H new ATOM 0 HD13 LEU A 63 -4.052 -13.016 6.703 1.00 71.13 H new ATOM 0 HD21 LEU A 63 -3.095 -15.424 8.320 1.00 50.04 H new ATOM 0 HD22 LEU A 63 -3.189 -15.414 6.543 1.00 50.04 H new ATOM 0 HD23 LEU A 63 -1.658 -15.826 7.352 1.00 50.04 H new ATOM 1000 N THR A 64 0.201 -12.581 3.862 1.00 65.05 N ATOM 1001 CA THR A 64 1.254 -12.609 2.853 1.00 43.44 C ATOM 1002 C THR A 64 0.832 -11.750 1.660 1.00 61.52 C ATOM 1003 O THR A 64 1.493 -11.682 0.608 1.00 34.24 O ATOM 1004 CB THR A 64 1.531 -14.059 2.405 1.00 53.40 C ATOM 1005 OG1 THR A 64 1.537 -14.921 3.553 1.00 45.02 O ATOM 1006 CG2 THR A 64 2.872 -14.174 1.692 1.00 1.35 C ATOM 0 H THR A 64 -0.653 -13.070 3.594 1.00 65.05 H new ATOM 0 HA THR A 64 2.173 -12.206 3.278 1.00 43.44 H new ATOM 0 HB THR A 64 0.744 -14.354 1.711 1.00 53.40 H new ATOM 0 HG1 THR A 64 0.781 -15.542 3.499 1.00 45.02 H new ATOM 0 HG21 THR A 64 3.036 -15.208 1.390 1.00 1.35 H new ATOM 0 HG22 THR A 64 2.871 -13.534 0.810 1.00 1.35 H new ATOM 0 HG23 THR A 64 3.670 -13.862 2.366 1.00 1.35 H new ATOM 1014 N ALA A 65 -0.275 -11.052 1.849 1.00 71.24 N ATOM 1015 CA ALA A 65 -0.800 -10.193 0.818 1.00 2.44 C ATOM 1016 C ALA A 65 0.101 -8.988 0.617 1.00 14.21 C ATOM 1017 O ALA A 65 0.002 -8.324 -0.404 1.00 14.50 O ATOM 1018 CB ALA A 65 -2.216 -9.761 1.144 1.00 20.22 C ATOM 0 H ALA A 65 -0.823 -11.068 2.709 1.00 71.24 H new ATOM 0 HA ALA A 65 -0.828 -10.757 -0.114 1.00 2.44 H new ATOM 0 HB1 ALA A 65 -2.590 -9.113 0.351 1.00 20.22 H new ATOM 0 HB2 ALA A 65 -2.855 -10.640 1.226 1.00 20.22 H new ATOM 0 HB3 ALA A 65 -2.222 -9.218 2.089 1.00 20.22 H new ATOM 1024 N LEU A 66 0.981 -8.706 1.584 1.00 34.53 N ATOM 1025 CA LEU A 66 1.990 -7.669 1.387 1.00 73.42 C ATOM 1026 C LEU A 66 3.169 -8.194 0.584 1.00 51.31 C ATOM 1027 O LEU A 66 3.965 -7.418 0.086 1.00 4.01 O ATOM 1028 CB LEU A 66 2.495 -6.994 2.684 1.00 43.23 C ATOM 1029 CG LEU A 66 2.992 -7.866 3.864 1.00 71.05 C ATOM 1030 CD1 LEU A 66 1.834 -8.305 4.746 1.00 3.02 C ATOM 1031 CD2 LEU A 66 3.788 -9.075 3.393 1.00 54.21 C ATOM 0 H LEU A 66 1.013 -9.172 2.491 1.00 34.53 H new ATOM 0 HA LEU A 66 1.473 -6.890 0.827 1.00 73.42 H new ATOM 0 HB2 LEU A 66 3.311 -6.327 2.407 1.00 43.23 H new ATOM 0 HB3 LEU A 66 1.686 -6.368 3.061 1.00 43.23 H new ATOM 0 HG LEU A 66 3.664 -7.242 4.453 1.00 71.05 H new ATOM 0 HD11 LEU A 66 2.212 -8.916 5.566 1.00 3.02 H new ATOM 0 HD12 LEU A 66 1.331 -7.426 5.150 1.00 3.02 H new ATOM 0 HD13 LEU A 66 1.128 -8.888 4.155 1.00 3.02 H new ATOM 0 HD21 LEU A 66 4.114 -9.655 4.256 1.00 54.21 H new ATOM 0 HD22 LEU A 66 3.161 -9.697 2.754 1.00 54.21 H new ATOM 0 HD23 LEU A 66 4.659 -8.740 2.830 1.00 54.21 H new ATOM 1043 N ASP A 67 3.300 -9.507 0.478 1.00 62.22 N ATOM 1044 CA ASP A 67 4.301 -10.072 -0.406 1.00 50.23 C ATOM 1045 C ASP A 67 3.887 -9.719 -1.808 1.00 62.50 C ATOM 1046 O ASP A 67 4.642 -9.109 -2.566 1.00 72.41 O ATOM 1047 CB ASP A 67 4.405 -11.591 -0.247 1.00 60.14 C ATOM 1048 CG ASP A 67 5.365 -12.223 -1.239 1.00 75.34 C ATOM 1049 OD1 ASP A 67 4.958 -12.473 -2.393 1.00 61.24 O ATOM 1050 OD2 ASP A 67 6.524 -12.497 -0.862 1.00 64.53 O ATOM 0 H ASP A 67 2.736 -10.189 0.984 1.00 62.22 H new ATOM 0 HA ASP A 67 5.285 -9.669 -0.166 1.00 50.23 H new ATOM 0 HB2 ASP A 67 4.732 -11.824 0.766 1.00 60.14 H new ATOM 0 HB3 ASP A 67 3.417 -12.033 -0.373 1.00 60.14 H new ATOM 1055 N ALA A 68 2.641 -10.050 -2.112 1.00 13.42 N ATOM 1056 CA ALA A 68 2.052 -9.672 -3.388 1.00 3.42 C ATOM 1057 C ALA A 68 1.968 -8.149 -3.516 1.00 24.14 C ATOM 1058 O ALA A 68 2.389 -7.569 -4.519 1.00 35.12 O ATOM 1059 CB ALA A 68 0.675 -10.298 -3.544 1.00 12.41 C ATOM 0 H ALA A 68 2.021 -10.577 -1.497 1.00 13.42 H new ATOM 0 HA ALA A 68 2.694 -10.046 -4.186 1.00 3.42 H new ATOM 0 HB1 ALA A 68 0.249 -10.005 -4.504 1.00 12.41 H new ATOM 0 HB2 ALA A 68 0.762 -11.384 -3.502 1.00 12.41 H new ATOM 0 HB3 ALA A 68 0.026 -9.954 -2.739 1.00 12.41 H new ATOM 1065 N LEU A 69 1.456 -7.505 -2.477 1.00 44.13 N ATOM 1066 CA LEU A 69 1.240 -6.066 -2.496 1.00 33.35 C ATOM 1067 C LEU A 69 2.549 -5.317 -2.673 1.00 54.34 C ATOM 1068 O LEU A 69 2.661 -4.499 -3.569 1.00 63.12 O ATOM 1069 CB LEU A 69 0.557 -5.597 -1.206 1.00 65.12 C ATOM 1070 CG LEU A 69 -0.557 -4.555 -1.382 1.00 72.40 C ATOM 1071 CD1 LEU A 69 -1.126 -4.153 -0.035 1.00 64.30 C ATOM 1072 CD2 LEU A 69 -0.061 -3.331 -2.133 1.00 41.22 C ATOM 0 H LEU A 69 1.181 -7.959 -1.606 1.00 44.13 H new ATOM 0 HA LEU A 69 0.591 -5.848 -3.344 1.00 33.35 H new ATOM 0 HB2 LEU A 69 0.138 -6.468 -0.701 1.00 65.12 H new ATOM 0 HB3 LEU A 69 1.317 -5.181 -0.545 1.00 65.12 H new ATOM 0 HG LEU A 69 -1.348 -5.013 -1.976 1.00 72.40 H new ATOM 0 HD11 LEU A 69 -1.914 -3.414 -0.179 1.00 64.30 H new ATOM 0 HD12 LEU A 69 -1.538 -5.031 0.463 1.00 64.30 H new ATOM 0 HD13 LEU A 69 -0.335 -3.725 0.581 1.00 64.30 H new ATOM 0 HD21 LEU A 69 -0.876 -2.615 -2.239 1.00 41.22 H new ATOM 0 HD22 LEU A 69 0.757 -2.871 -1.579 1.00 41.22 H new ATOM 0 HD23 LEU A 69 0.292 -3.628 -3.120 1.00 41.22 H new ATOM 1084 N ASP A 70 3.539 -5.604 -1.834 1.00 73.05 N ATOM 1085 CA ASP A 70 4.767 -4.814 -1.817 1.00 65.42 C ATOM 1086 C ASP A 70 5.616 -5.082 -3.036 1.00 65.03 C ATOM 1087 O ASP A 70 6.383 -4.228 -3.440 1.00 61.23 O ATOM 1088 CB ASP A 70 5.606 -5.074 -0.576 1.00 41.21 C ATOM 1089 CG ASP A 70 6.587 -3.948 -0.301 1.00 65.55 C ATOM 1090 OD1 ASP A 70 6.138 -2.818 0.006 1.00 24.41 O ATOM 1091 OD2 ASP A 70 7.804 -4.183 -0.377 1.00 70.04 O ATOM 0 H ASP A 70 3.517 -6.371 -1.162 1.00 73.05 H new ATOM 0 HA ASP A 70 4.447 -3.772 -1.814 1.00 65.42 H new ATOM 0 HB2 ASP A 70 4.949 -5.200 0.285 1.00 41.21 H new ATOM 0 HB3 ASP A 70 6.153 -6.009 -0.699 1.00 41.21 H new ATOM 1096 N GLN A 71 5.505 -6.264 -3.621 1.00 30.23 N ATOM 1097 CA GLN A 71 6.223 -6.520 -4.855 1.00 74.34 C ATOM 1098 C GLN A 71 5.673 -5.586 -5.932 1.00 45.32 C ATOM 1099 O GLN A 71 6.431 -4.989 -6.698 1.00 22.01 O ATOM 1100 CB GLN A 71 6.138 -8.000 -5.263 1.00 52.34 C ATOM 1101 CG GLN A 71 4.920 -8.372 -6.092 1.00 42.42 C ATOM 1102 CD GLN A 71 4.611 -9.853 -6.046 1.00 11.34 C ATOM 1103 OE1 GLN A 71 4.191 -10.441 -7.041 1.00 71.15 O ATOM 1104 NE2 GLN A 71 4.747 -10.450 -4.875 1.00 44.14 N ATOM 0 H GLN A 71 4.942 -7.040 -3.273 1.00 30.23 H new ATOM 0 HA GLN A 71 7.285 -6.316 -4.716 1.00 74.34 H new ATOM 0 HB2 GLN A 71 7.034 -8.257 -5.827 1.00 52.34 H new ATOM 0 HB3 GLN A 71 6.144 -8.611 -4.360 1.00 52.34 H new ATOM 0 HG2 GLN A 71 4.056 -7.814 -5.731 1.00 42.42 H new ATOM 0 HG3 GLN A 71 5.085 -8.072 -7.127 1.00 42.42 H new ATOM 0 HE21 GLN A 71 5.099 -9.927 -4.074 1.00 44.14 H new ATOM 0 HE22 GLN A 71 4.500 -11.434 -4.773 1.00 44.14 H new ATOM 1113 N LEU A 72 4.349 -5.412 -5.938 1.00 62.50 N ATOM 1114 CA LEU A 72 3.721 -4.420 -6.801 1.00 15.11 C ATOM 1115 C LEU A 72 4.065 -3.010 -6.319 1.00 32.44 C ATOM 1116 O LEU A 72 4.295 -2.116 -7.123 1.00 44.35 O ATOM 1117 CB LEU A 72 2.194 -4.606 -6.858 1.00 32.44 C ATOM 1118 CG LEU A 72 1.674 -5.625 -7.889 1.00 45.21 C ATOM 1119 CD1 LEU A 72 2.226 -5.322 -9.274 1.00 12.54 C ATOM 1120 CD2 LEU A 72 2.012 -7.050 -7.488 1.00 24.54 C ATOM 0 H LEU A 72 3.699 -5.943 -5.358 1.00 62.50 H new ATOM 0 HA LEU A 72 4.110 -4.559 -7.809 1.00 15.11 H new ATOM 0 HB2 LEU A 72 1.848 -4.910 -5.870 1.00 32.44 H new ATOM 0 HB3 LEU A 72 1.738 -3.639 -7.071 1.00 32.44 H new ATOM 0 HG LEU A 72 0.588 -5.534 -7.916 1.00 45.21 H new ATOM 0 HD11 LEU A 72 1.845 -6.055 -9.986 1.00 12.54 H new ATOM 0 HD12 LEU A 72 1.914 -4.323 -9.579 1.00 12.54 H new ATOM 0 HD13 LEU A 72 3.315 -5.371 -9.250 1.00 12.54 H new ATOM 0 HD21 LEU A 72 1.629 -7.740 -8.240 1.00 24.54 H new ATOM 0 HD22 LEU A 72 3.094 -7.160 -7.412 1.00 24.54 H new ATOM 0 HD23 LEU A 72 1.556 -7.274 -6.524 1.00 24.54 H new ATOM 1132 N ARG A 73 4.115 -2.818 -5.002 1.00 53.53 N ATOM 1133 CA ARG A 73 4.457 -1.518 -4.440 1.00 11.45 C ATOM 1134 C ARG A 73 5.861 -1.126 -4.852 1.00 71.32 C ATOM 1135 O ARG A 73 6.031 -0.300 -5.721 1.00 22.15 O ATOM 1136 CB ARG A 73 4.350 -1.489 -2.906 1.00 15.04 C ATOM 1137 CG ARG A 73 2.943 -1.717 -2.384 1.00 12.10 C ATOM 1138 CD ARG A 73 2.780 -1.283 -0.932 1.00 11.13 C ATOM 1139 NE ARG A 73 3.564 -2.083 0.013 1.00 13.53 N ATOM 1140 CZ ARG A 73 3.137 -2.425 1.234 1.00 75.25 C ATOM 1141 NH1 ARG A 73 1.911 -2.106 1.634 1.00 31.05 N ATOM 1142 NH2 ARG A 73 3.933 -3.083 2.059 1.00 40.20 N ATOM 0 H ARG A 73 3.924 -3.543 -4.310 1.00 53.53 H new ATOM 0 HA ARG A 73 3.734 -0.804 -4.835 1.00 11.45 H new ATOM 0 HB2 ARG A 73 5.009 -2.251 -2.491 1.00 15.04 H new ATOM 0 HB3 ARG A 73 4.710 -0.526 -2.544 1.00 15.04 H new ATOM 0 HG2 ARG A 73 2.235 -1.168 -3.005 1.00 12.10 H new ATOM 0 HG3 ARG A 73 2.693 -2.774 -2.474 1.00 12.10 H new ATOM 0 HD2 ARG A 73 3.073 -0.237 -0.839 1.00 11.13 H new ATOM 0 HD3 ARG A 73 1.726 -1.344 -0.660 1.00 11.13 H new ATOM 0 HE ARG A 73 4.490 -2.398 -0.277 1.00 13.53 H new ATOM 0 HH11 ARG A 73 1.287 -1.596 1.009 1.00 31.05 H new ATOM 0 HH12 ARG A 73 1.594 -2.371 2.567 1.00 31.05 H new ATOM 0 HH21 ARG A 73 4.878 -3.332 1.766 1.00 40.20 H new ATOM 0 HH22 ARG A 73 3.603 -3.341 2.989 1.00 40.20 H new ATOM 1156 N THR A 74 6.855 -1.772 -4.263 1.00 14.05 N ATOM 1157 CA THR A 74 8.244 -1.397 -4.450 1.00 21.33 C ATOM 1158 C THR A 74 8.630 -1.334 -5.930 1.00 51.02 C ATOM 1159 O THR A 74 9.332 -0.414 -6.342 1.00 60.43 O ATOM 1160 CB THR A 74 9.201 -2.363 -3.704 1.00 31.05 C ATOM 1161 OG1 THR A 74 10.514 -1.802 -3.646 1.00 31.04 O ATOM 1162 CG2 THR A 74 9.276 -3.722 -4.387 1.00 25.12 C ATOM 0 H THR A 74 6.720 -2.570 -3.643 1.00 14.05 H new ATOM 0 HA THR A 74 8.349 -0.398 -4.026 1.00 21.33 H new ATOM 0 HB THR A 74 8.804 -2.502 -2.698 1.00 31.05 H new ATOM 0 HG1 THR A 74 10.450 -0.829 -3.551 1.00 31.04 H new ATOM 0 HG21 THR A 74 9.956 -4.370 -3.834 1.00 25.12 H new ATOM 0 HG22 THR A 74 8.284 -4.173 -4.410 1.00 25.12 H new ATOM 0 HG23 THR A 74 9.642 -3.597 -5.406 1.00 25.12 H new ATOM 1170 N GLU A 75 8.145 -2.278 -6.735 1.00 63.54 N ATOM 1171 CA GLU A 75 8.592 -2.374 -8.114 1.00 25.44 C ATOM 1172 C GLU A 75 7.910 -1.341 -9.010 1.00 63.10 C ATOM 1173 O GLU A 75 8.510 -0.849 -9.963 1.00 11.42 O ATOM 1174 CB GLU A 75 8.379 -3.793 -8.644 1.00 31.12 C ATOM 1175 CG GLU A 75 8.870 -3.979 -10.071 1.00 22.23 C ATOM 1176 CD GLU A 75 9.232 -5.409 -10.399 1.00 52.03 C ATOM 1177 OE1 GLU A 75 10.396 -5.797 -10.157 1.00 62.44 O ATOM 1178 OE2 GLU A 75 8.367 -6.145 -10.918 1.00 65.44 O ATOM 0 H GLU A 75 7.454 -2.975 -6.458 1.00 63.54 H new ATOM 0 HA GLU A 75 9.659 -2.152 -8.134 1.00 25.44 H new ATOM 0 HB2 GLU A 75 8.896 -4.498 -7.994 1.00 31.12 H new ATOM 0 HB3 GLU A 75 7.317 -4.036 -8.597 1.00 31.12 H new ATOM 0 HG2 GLU A 75 8.097 -3.640 -10.761 1.00 22.23 H new ATOM 0 HG3 GLU A 75 9.742 -3.345 -10.233 1.00 22.23 H new ATOM 1185 N LEU A 76 6.673 -0.984 -8.694 1.00 51.52 N ATOM 1186 CA LEU A 76 5.948 0.006 -9.484 1.00 12.20 C ATOM 1187 C LEU A 76 6.097 1.401 -8.875 1.00 0.13 C ATOM 1188 O LEU A 76 5.869 2.415 -9.534 1.00 71.33 O ATOM 1189 CB LEU A 76 4.468 -0.372 -9.609 1.00 23.11 C ATOM 1190 CG LEU A 76 4.149 -1.527 -10.576 1.00 50.01 C ATOM 1191 CD1 LEU A 76 4.695 -1.226 -11.960 1.00 65.31 C ATOM 1192 CD2 LEU A 76 4.697 -2.860 -10.071 1.00 51.55 C ATOM 0 H LEU A 76 6.152 -1.361 -7.902 1.00 51.52 H new ATOM 0 HA LEU A 76 6.381 0.021 -10.484 1.00 12.20 H new ATOM 0 HB2 LEU A 76 4.096 -0.639 -8.620 1.00 23.11 H new ATOM 0 HB3 LEU A 76 3.914 0.510 -9.931 1.00 23.11 H new ATOM 0 HG LEU A 76 3.064 -1.616 -10.631 1.00 50.01 H new ATOM 0 HD11 LEU A 76 4.461 -2.052 -12.631 1.00 65.31 H new ATOM 0 HD12 LEU A 76 4.241 -0.311 -12.339 1.00 65.31 H new ATOM 0 HD13 LEU A 76 5.776 -1.099 -11.905 1.00 65.31 H new ATOM 0 HD21 LEU A 76 4.450 -3.648 -10.783 1.00 51.55 H new ATOM 0 HD22 LEU A 76 5.780 -2.792 -9.966 1.00 51.55 H new ATOM 0 HD23 LEU A 76 4.253 -3.093 -9.103 1.00 51.55 H new ATOM 1204 N LEU A 77 6.498 1.438 -7.618 1.00 24.04 N ATOM 1205 CA LEU A 77 6.722 2.685 -6.903 1.00 22.13 C ATOM 1206 C LEU A 77 8.028 3.306 -7.365 1.00 55.43 C ATOM 1207 O LEU A 77 8.117 4.512 -7.591 1.00 53.23 O ATOM 1208 CB LEU A 77 6.753 2.408 -5.395 1.00 54.44 C ATOM 1209 CG LEU A 77 6.672 3.616 -4.464 1.00 61.32 C ATOM 1210 CD1 LEU A 77 6.287 3.162 -3.067 1.00 2.00 C ATOM 1211 CD2 LEU A 77 7.997 4.357 -4.416 1.00 52.22 C ATOM 0 H LEU A 77 6.679 0.603 -7.061 1.00 24.04 H new ATOM 0 HA LEU A 77 5.913 3.385 -7.112 1.00 22.13 H new ATOM 0 HB2 LEU A 77 5.925 1.741 -5.156 1.00 54.44 H new ATOM 0 HB3 LEU A 77 7.672 1.868 -5.169 1.00 54.44 H new ATOM 0 HG LEU A 77 5.913 4.296 -4.850 1.00 61.32 H new ATOM 0 HD11 LEU A 77 6.230 4.027 -2.406 1.00 2.00 H new ATOM 0 HD12 LEU A 77 5.317 2.666 -3.100 1.00 2.00 H new ATOM 0 HD13 LEU A 77 7.037 2.466 -2.691 1.00 2.00 H new ATOM 0 HD21 LEU A 77 7.911 5.212 -3.746 1.00 52.22 H new ATOM 0 HD22 LEU A 77 8.776 3.687 -4.051 1.00 52.22 H new ATOM 0 HD23 LEU A 77 8.256 4.704 -5.416 1.00 52.22 H new ATOM 1223 N ARG A 78 9.027 2.457 -7.545 1.00 2.04 N ATOM 1224 CA ARG A 78 10.352 2.884 -7.979 1.00 60.41 C ATOM 1225 C ARG A 78 10.338 3.315 -9.453 1.00 64.00 C ATOM 1226 O ARG A 78 11.389 3.469 -10.080 1.00 53.22 O ATOM 1227 CB ARG A 78 11.346 1.735 -7.764 1.00 54.45 C ATOM 1228 CG ARG A 78 11.034 0.507 -8.608 1.00 2.52 C ATOM 1229 CD ARG A 78 11.924 -0.670 -8.246 1.00 34.23 C ATOM 1230 NE ARG A 78 12.829 -1.027 -9.333 1.00 25.41 N ATOM 1231 CZ ARG A 78 14.106 -0.657 -9.392 1.00 14.45 C ATOM 1232 NH1 ARG A 78 14.633 0.088 -8.425 1.00 64.13 N ATOM 1233 NH2 ARG A 78 14.854 -1.025 -10.423 1.00 31.04 N ATOM 0 H ARG A 78 8.944 1.451 -7.395 1.00 2.04 H new ATOM 0 HA ARG A 78 10.658 3.747 -7.387 1.00 60.41 H new ATOM 0 HB2 ARG A 78 12.351 2.084 -8.000 1.00 54.45 H new ATOM 0 HB3 ARG A 78 11.345 1.454 -6.711 1.00 54.45 H new ATOM 0 HG2 ARG A 78 9.989 0.228 -8.471 1.00 2.52 H new ATOM 0 HG3 ARG A 78 11.163 0.749 -9.663 1.00 2.52 H new ATOM 0 HD2 ARG A 78 12.505 -0.425 -7.357 1.00 34.23 H new ATOM 0 HD3 ARG A 78 11.303 -1.530 -7.994 1.00 34.23 H new ATOM 0 HE ARG A 78 12.460 -1.596 -10.095 1.00 25.41 H new ATOM 0 HH11 ARG A 78 14.058 0.378 -7.634 1.00 64.13 H new ATOM 0 HH12 ARG A 78 15.612 0.369 -8.474 1.00 64.13 H new ATOM 0 HH21 ARG A 78 14.451 -1.591 -11.170 1.00 31.04 H new ATOM 0 HH22 ARG A 78 15.833 -0.742 -10.470 1.00 31.04 H new ATOM 1247 N ARG A 79 9.141 3.515 -9.998 1.00 5.45 N ATOM 1248 CA ARG A 79 8.974 3.913 -11.388 1.00 53.11 C ATOM 1249 C ARG A 79 8.691 5.413 -11.496 1.00 32.13 C ATOM 1250 O ARG A 79 9.207 6.088 -12.392 1.00 1.44 O ATOM 1251 CB ARG A 79 7.820 3.134 -12.030 1.00 35.24 C ATOM 1252 CG ARG A 79 7.918 1.624 -11.871 1.00 21.10 C ATOM 1253 CD ARG A 79 9.100 1.044 -12.626 1.00 50.05 C ATOM 1254 NE ARG A 79 8.976 1.256 -14.068 1.00 62.14 N ATOM 1255 CZ ARG A 79 9.482 0.437 -14.989 1.00 74.11 C ATOM 1256 NH1 ARG A 79 10.209 -0.610 -14.627 1.00 53.23 N ATOM 1257 NH2 ARG A 79 9.270 0.674 -16.276 1.00 54.21 N ATOM 0 H ARG A 79 8.264 3.406 -9.489 1.00 5.45 H new ATOM 0 HA ARG A 79 9.902 3.689 -11.913 1.00 53.11 H new ATOM 0 HB2 ARG A 79 6.881 3.473 -11.593 1.00 35.24 H new ATOM 0 HB3 ARG A 79 7.782 3.374 -13.093 1.00 35.24 H new ATOM 0 HG2 ARG A 79 8.008 1.377 -10.813 1.00 21.10 H new ATOM 0 HG3 ARG A 79 6.998 1.162 -12.229 1.00 21.10 H new ATOM 0 HD2 ARG A 79 10.021 1.503 -12.268 1.00 50.05 H new ATOM 0 HD3 ARG A 79 9.175 -0.024 -12.420 1.00 50.05 H new ATOM 0 HE ARG A 79 8.471 2.082 -14.388 1.00 62.14 H new ATOM 0 HH11 ARG A 79 10.384 -0.792 -13.639 1.00 53.23 H new ATOM 0 HH12 ARG A 79 10.594 -1.234 -15.337 1.00 53.23 H new ATOM 0 HH21 ARG A 79 8.719 1.484 -16.562 1.00 54.21 H new ATOM 0 HH22 ARG A 79 9.658 0.047 -16.981 1.00 54.21 H new ATOM 1271 N GLY A 80 7.880 5.936 -10.575 1.00 12.22 N ATOM 1272 CA GLY A 80 7.455 7.326 -10.663 1.00 73.14 C ATOM 1273 C GLY A 80 7.296 7.980 -9.304 1.00 71.10 C ATOM 1274 O GLY A 80 8.015 7.646 -8.363 1.00 42.43 O ATOM 0 H GLY A 80 7.511 5.424 -9.773 1.00 12.22 H new ATOM 0 HA2 GLY A 80 8.183 7.887 -11.248 1.00 73.14 H new ATOM 0 HA3 GLY A 80 6.507 7.378 -11.199 1.00 73.14 H new ATOM 1278 N ILE A 81 6.356 8.916 -9.199 1.00 72.43 N ATOM 1279 CA ILE A 81 6.134 9.637 -7.953 1.00 43.31 C ATOM 1280 C ILE A 81 5.028 8.974 -7.128 1.00 4.52 C ATOM 1281 O ILE A 81 3.829 9.191 -7.334 1.00 53.03 O ATOM 1282 CB ILE A 81 5.827 11.136 -8.197 1.00 54.50 C ATOM 1283 CG1 ILE A 81 5.482 11.839 -6.878 1.00 53.22 C ATOM 1284 CG2 ILE A 81 4.713 11.317 -9.222 1.00 45.33 C ATOM 1285 CD1 ILE A 81 6.623 11.860 -5.878 1.00 34.45 C ATOM 0 H ILE A 81 5.738 9.191 -9.962 1.00 72.43 H new ATOM 0 HA ILE A 81 7.061 9.590 -7.381 1.00 43.31 H new ATOM 0 HB ILE A 81 6.725 11.599 -8.606 1.00 54.50 H new ATOM 0 HG12 ILE A 81 5.180 12.864 -7.092 1.00 53.22 H new ATOM 0 HG13 ILE A 81 4.624 11.342 -6.426 1.00 53.22 H new ATOM 0 HG21 ILE A 81 4.523 12.380 -9.369 1.00 45.33 H new ATOM 0 HG22 ILE A 81 5.013 10.867 -10.169 1.00 45.33 H new ATOM 0 HG23 ILE A 81 3.805 10.833 -8.862 1.00 45.33 H new ATOM 0 HD11 ILE A 81 6.303 12.374 -4.971 1.00 34.45 H new ATOM 0 HD12 ILE A 81 6.911 10.838 -5.633 1.00 34.45 H new ATOM 0 HD13 ILE A 81 7.476 12.384 -6.310 1.00 34.45 H new ATOM 1297 N VAL A 82 5.453 8.141 -6.203 1.00 15.15 N ATOM 1298 CA VAL A 82 4.546 7.370 -5.378 1.00 63.31 C ATOM 1299 C VAL A 82 5.260 6.928 -4.108 1.00 35.45 C ATOM 1300 O VAL A 82 6.487 6.874 -4.081 1.00 1.10 O ATOM 1301 CB VAL A 82 4.000 6.144 -6.165 1.00 14.44 C ATOM 1302 CG1 VAL A 82 5.092 5.523 -7.018 1.00 53.24 C ATOM 1303 CG2 VAL A 82 3.402 5.092 -5.242 1.00 43.33 C ATOM 0 H VAL A 82 6.439 7.978 -6.001 1.00 15.15 H new ATOM 0 HA VAL A 82 3.696 7.994 -5.102 1.00 63.31 H new ATOM 0 HB VAL A 82 3.204 6.511 -6.812 1.00 14.44 H new ATOM 0 HG11 VAL A 82 4.688 4.668 -7.560 1.00 53.24 H new ATOM 0 HG12 VAL A 82 5.462 6.261 -7.729 1.00 53.24 H new ATOM 0 HG13 VAL A 82 5.911 5.194 -6.378 1.00 53.24 H new ATOM 0 HG21 VAL A 82 3.034 4.255 -5.835 1.00 43.33 H new ATOM 0 HG22 VAL A 82 4.166 4.738 -4.550 1.00 43.33 H new ATOM 0 HG23 VAL A 82 2.577 5.529 -4.679 1.00 43.33 H new ATOM 1313 N PHE A 83 4.502 6.675 -3.049 1.00 24.12 N ATOM 1314 CA PHE A 83 5.066 6.129 -1.818 1.00 45.10 C ATOM 1315 C PHE A 83 4.095 5.149 -1.164 1.00 41.40 C ATOM 1316 O PHE A 83 3.000 4.902 -1.671 1.00 44.43 O ATOM 1317 CB PHE A 83 5.427 7.240 -0.827 1.00 44.05 C ATOM 1318 CG PHE A 83 6.679 7.994 -1.175 1.00 24.12 C ATOM 1319 CD1 PHE A 83 7.924 7.455 -0.888 1.00 2.14 C ATOM 1320 CD2 PHE A 83 6.613 9.237 -1.783 1.00 61.50 C ATOM 1321 CE1 PHE A 83 9.080 8.142 -1.202 1.00 44.22 C ATOM 1322 CE2 PHE A 83 7.769 9.930 -2.099 1.00 33.42 C ATOM 1323 CZ PHE A 83 9.002 9.381 -1.808 1.00 72.32 C ATOM 0 H PHE A 83 3.496 6.838 -3.016 1.00 24.12 H new ATOM 0 HA PHE A 83 5.979 5.598 -2.087 1.00 45.10 H new ATOM 0 HB2 PHE A 83 4.597 7.944 -0.770 1.00 44.05 H new ATOM 0 HB3 PHE A 83 5.544 6.803 0.165 1.00 44.05 H new ATOM 0 HD1 PHE A 83 7.990 6.487 -0.414 1.00 2.14 H new ATOM 0 HD2 PHE A 83 5.650 9.670 -2.013 1.00 61.50 H new ATOM 0 HE1 PHE A 83 10.044 7.711 -0.974 1.00 44.22 H new ATOM 0 HE2 PHE A 83 7.706 10.899 -2.572 1.00 33.42 H new ATOM 0 HZ PHE A 83 9.905 9.920 -2.054 1.00 72.32 H new ATOM 1333 N ALA A 84 4.514 4.576 -0.047 1.00 63.34 N ATOM 1334 CA ALA A 84 3.655 3.703 0.736 1.00 13.42 C ATOM 1335 C ALA A 84 4.007 3.818 2.207 1.00 30.43 C ATOM 1336 O ALA A 84 5.182 3.819 2.566 1.00 54.23 O ATOM 1337 CB ALA A 84 3.788 2.265 0.264 1.00 50.51 C ATOM 0 H ALA A 84 5.450 4.701 0.339 1.00 63.34 H new ATOM 0 HA ALA A 84 2.618 4.011 0.599 1.00 13.42 H new ATOM 0 HB1 ALA A 84 3.138 1.625 0.861 1.00 50.51 H new ATOM 0 HB2 ALA A 84 3.499 2.198 -0.785 1.00 50.51 H new ATOM 0 HB3 ALA A 84 4.822 1.939 0.377 1.00 50.51 H new ATOM 1343 N MET A 85 2.999 3.922 3.060 1.00 60.51 N ATOM 1344 CA MET A 85 3.239 4.119 4.483 1.00 33.11 C ATOM 1345 C MET A 85 2.402 3.187 5.341 1.00 21.34 C ATOM 1346 O MET A 85 1.342 2.706 4.929 1.00 64.41 O ATOM 1347 CB MET A 85 2.961 5.563 4.895 1.00 52.12 C ATOM 1348 CG MET A 85 1.624 6.088 4.413 1.00 13.43 C ATOM 1349 SD MET A 85 0.766 7.061 5.663 1.00 74.11 S ATOM 1350 CE MET A 85 0.170 5.750 6.727 1.00 44.34 C ATOM 0 H MET A 85 2.015 3.874 2.796 1.00 60.51 H new ATOM 0 HA MET A 85 4.291 3.889 4.650 1.00 33.11 H new ATOM 0 HB2 MET A 85 2.999 5.635 5.982 1.00 52.12 H new ATOM 0 HB3 MET A 85 3.754 6.202 4.505 1.00 52.12 H new ATOM 0 HG2 MET A 85 1.778 6.700 3.525 1.00 13.43 H new ATOM 0 HG3 MET A 85 0.995 5.249 4.117 1.00 13.43 H new ATOM 0 HE1 MET A 85 -0.871 5.938 6.988 1.00 44.34 H new ATOM 0 HE2 MET A 85 0.246 4.796 6.206 1.00 44.34 H new ATOM 0 HE3 MET A 85 0.772 5.717 7.635 1.00 44.34 H new ATOM 1360 N ALA A 86 2.883 2.959 6.549 1.00 23.22 N ATOM 1361 CA ALA A 86 2.213 2.104 7.499 1.00 64.14 C ATOM 1362 C ALA A 86 2.008 2.806 8.836 1.00 60.04 C ATOM 1363 O ALA A 86 2.511 3.906 9.070 1.00 61.34 O ATOM 1364 CB ALA A 86 3.007 0.822 7.692 1.00 35.10 C ATOM 0 H ALA A 86 3.752 3.365 6.896 1.00 23.22 H new ATOM 0 HA ALA A 86 1.228 1.861 7.099 1.00 64.14 H new ATOM 0 HB1 ALA A 86 2.495 0.182 8.410 1.00 35.10 H new ATOM 0 HB2 ALA A 86 3.094 0.301 6.739 1.00 35.10 H new ATOM 0 HB3 ALA A 86 4.002 1.063 8.066 1.00 35.10 H new ATOM 1370 N ARG A 87 1.250 2.150 9.692 1.00 23.41 N ATOM 1371 CA ARG A 87 1.002 2.597 11.058 1.00 73.13 C ATOM 1372 C ARG A 87 0.862 1.350 11.913 1.00 40.23 C ATOM 1373 O ARG A 87 0.299 1.363 13.005 1.00 63.13 O ATOM 1374 CB ARG A 87 -0.295 3.411 11.118 1.00 52.23 C ATOM 1375 CG ARG A 87 -1.532 2.587 10.772 1.00 71.12 C ATOM 1376 CD ARG A 87 -2.815 3.387 10.904 1.00 13.14 C ATOM 1377 NE ARG A 87 -2.993 3.928 12.253 1.00 73.13 N ATOM 1378 CZ ARG A 87 -3.902 4.849 12.579 1.00 61.43 C ATOM 1379 NH1 ARG A 87 -4.724 5.339 11.663 1.00 71.12 N ATOM 1380 NH2 ARG A 87 -4.000 5.275 13.831 1.00 32.32 N ATOM 0 H ARG A 87 0.779 1.276 9.459 1.00 23.41 H new ATOM 0 HA ARG A 87 1.816 3.229 11.412 1.00 73.13 H new ATOM 0 HB2 ARG A 87 -0.411 3.827 12.119 1.00 52.23 H new ATOM 0 HB3 ARG A 87 -0.222 4.253 10.429 1.00 52.23 H new ATOM 0 HG2 ARG A 87 -1.443 2.214 9.752 1.00 71.12 H new ATOM 0 HG3 ARG A 87 -1.580 1.717 11.427 1.00 71.12 H new ATOM 0 HD2 ARG A 87 -2.806 4.206 10.184 1.00 13.14 H new ATOM 0 HD3 ARG A 87 -3.665 2.752 10.654 1.00 13.14 H new ATOM 0 HE ARG A 87 -2.383 3.578 12.991 1.00 73.13 H new ATOM 0 HH11 ARG A 87 -4.666 5.013 10.698 1.00 71.12 H new ATOM 0 HH12 ARG A 87 -5.415 6.043 11.922 1.00 71.12 H new ATOM 0 HH21 ARG A 87 -3.380 4.899 14.548 1.00 32.32 H new ATOM 0 HH22 ARG A 87 -4.696 5.979 14.077 1.00 32.32 H new ATOM 1394 N VAL A 88 1.423 0.275 11.391 1.00 71.32 N ATOM 1395 CA VAL A 88 1.043 -1.062 11.791 1.00 71.22 C ATOM 1396 C VAL A 88 2.134 -1.799 12.541 1.00 55.13 C ATOM 1397 O VAL A 88 3.245 -1.303 12.714 1.00 53.03 O ATOM 1398 CB VAL A 88 0.653 -1.876 10.551 1.00 41.25 C ATOM 1399 CG1 VAL A 88 -0.612 -1.312 9.932 1.00 4.20 C ATOM 1400 CG2 VAL A 88 1.785 -1.862 9.536 1.00 2.04 C ATOM 0 H VAL A 88 2.153 0.307 10.679 1.00 71.32 H new ATOM 0 HA VAL A 88 0.200 -0.955 12.474 1.00 71.22 H new ATOM 0 HB VAL A 88 0.467 -2.907 10.853 1.00 41.25 H new ATOM 0 HG11 VAL A 88 -0.879 -1.898 9.053 1.00 4.20 H new ATOM 0 HG12 VAL A 88 -1.424 -1.357 10.658 1.00 4.20 H new ATOM 0 HG13 VAL A 88 -0.443 -0.275 9.640 1.00 4.20 H new ATOM 0 HG21 VAL A 88 1.496 -2.443 8.660 1.00 2.04 H new ATOM 0 HG22 VAL A 88 1.993 -0.835 9.237 1.00 2.04 H new ATOM 0 HG23 VAL A 88 2.679 -2.298 9.982 1.00 2.04 H new ATOM 1410 N LYS A 89 1.783 -3.002 12.963 1.00 53.01 N ATOM 1411 CA LYS A 89 2.669 -3.867 13.724 1.00 21.53 C ATOM 1412 C LYS A 89 2.984 -5.147 12.952 1.00 20.32 C ATOM 1413 O LYS A 89 3.762 -5.977 13.411 1.00 25.42 O ATOM 1414 CB LYS A 89 2.000 -4.221 15.052 1.00 5.24 C ATOM 1415 CG LYS A 89 0.493 -4.411 14.915 1.00 74.31 C ATOM 1416 CD LYS A 89 -0.133 -5.036 16.150 1.00 64.15 C ATOM 1417 CE LYS A 89 0.249 -6.498 16.275 1.00 14.32 C ATOM 1418 NZ LYS A 89 -0.530 -7.185 17.340 1.00 73.42 N ATOM 0 H LYS A 89 0.865 -3.410 12.785 1.00 53.01 H new ATOM 0 HA LYS A 89 3.606 -3.339 13.902 1.00 21.53 H new ATOM 0 HB2 LYS A 89 2.444 -5.135 15.446 1.00 5.24 H new ATOM 0 HB3 LYS A 89 2.199 -3.432 15.777 1.00 5.24 H new ATOM 0 HG2 LYS A 89 0.025 -3.445 14.724 1.00 74.31 H new ATOM 0 HG3 LYS A 89 0.287 -5.041 14.050 1.00 74.31 H new ATOM 0 HD2 LYS A 89 0.191 -4.495 17.039 1.00 64.15 H new ATOM 0 HD3 LYS A 89 -1.218 -4.943 16.098 1.00 64.15 H new ATOM 0 HE2 LYS A 89 0.082 -7.000 15.322 1.00 14.32 H new ATOM 0 HE3 LYS A 89 1.314 -6.578 16.495 1.00 14.32 H new ATOM 0 HZ1 LYS A 89 -0.240 -8.182 17.394 1.00 73.42 H new ATOM 0 HZ2 LYS A 89 -0.351 -6.722 18.254 1.00 73.42 H new ATOM 0 HZ3 LYS A 89 -1.544 -7.131 17.117 1.00 73.42 H new ATOM 1432 N GLN A 90 2.370 -5.311 11.781 1.00 2.24 N ATOM 1433 CA GLN A 90 2.515 -6.556 11.025 1.00 54.50 C ATOM 1434 C GLN A 90 2.817 -6.307 9.548 1.00 64.43 C ATOM 1435 O GLN A 90 3.784 -6.856 9.025 1.00 14.32 O ATOM 1436 CB GLN A 90 1.259 -7.417 11.175 1.00 4.12 C ATOM 1437 CG GLN A 90 1.060 -7.942 12.589 1.00 54.51 C ATOM 1438 CD GLN A 90 -0.201 -8.770 12.750 1.00 61.41 C ATOM 1439 OE1 GLN A 90 -0.799 -8.797 13.826 1.00 22.53 O ATOM 1440 NE2 GLN A 90 -0.599 -9.471 11.703 1.00 21.12 N ATOM 0 H GLN A 90 1.776 -4.609 11.339 1.00 2.24 H new ATOM 0 HA GLN A 90 3.369 -7.089 11.442 1.00 54.50 H new ATOM 0 HB2 GLN A 90 0.387 -6.830 10.886 1.00 4.12 H new ATOM 0 HB3 GLN A 90 1.319 -8.260 10.486 1.00 4.12 H new ATOM 0 HG2 GLN A 90 1.922 -8.547 12.869 1.00 54.51 H new ATOM 0 HG3 GLN A 90 1.024 -7.100 13.280 1.00 54.51 H new ATOM 0 HE21 GLN A 90 -0.077 -9.422 10.828 1.00 21.12 H new ATOM 0 HE22 GLN A 90 -1.428 -10.061 11.770 1.00 21.12 H new ATOM 1449 N ASP A 91 1.998 -5.482 8.886 1.00 30.11 N ATOM 1450 CA ASP A 91 2.170 -5.185 7.451 1.00 54.11 C ATOM 1451 C ASP A 91 3.625 -4.864 7.106 1.00 42.34 C ATOM 1452 O ASP A 91 4.211 -5.491 6.224 1.00 24.11 O ATOM 1453 CB ASP A 91 1.257 -4.021 7.034 1.00 32.14 C ATOM 1454 CG ASP A 91 1.608 -3.422 5.673 1.00 22.13 C ATOM 1455 OD1 ASP A 91 1.301 -4.045 4.636 1.00 45.42 O ATOM 1456 OD2 ASP A 91 2.162 -2.306 5.639 1.00 42.03 O ATOM 0 H ASP A 91 1.207 -5.005 9.318 1.00 30.11 H new ATOM 0 HA ASP A 91 1.889 -6.080 6.895 1.00 54.11 H new ATOM 0 HB2 ASP A 91 0.225 -4.371 7.012 1.00 32.14 H new ATOM 0 HB3 ASP A 91 1.312 -3.238 7.791 1.00 32.14 H new ATOM 1461 N LEU A 92 4.219 -3.919 7.828 1.00 44.22 N ATOM 1462 CA LEU A 92 5.591 -3.507 7.552 1.00 1.42 C ATOM 1463 C LEU A 92 6.592 -4.621 7.873 1.00 31.24 C ATOM 1464 O LEU A 92 7.617 -4.745 7.216 1.00 14.22 O ATOM 1465 CB LEU A 92 5.947 -2.181 8.280 1.00 50.31 C ATOM 1466 CG LEU A 92 6.118 -2.190 9.823 1.00 51.22 C ATOM 1467 CD1 LEU A 92 4.986 -2.916 10.533 1.00 11.53 C ATOM 1468 CD2 LEU A 92 7.474 -2.756 10.235 1.00 0.44 C ATOM 0 H LEU A 92 3.775 -3.427 8.604 1.00 44.22 H new ATOM 0 HA LEU A 92 5.662 -3.314 6.482 1.00 1.42 H new ATOM 0 HB2 LEU A 92 6.876 -1.808 7.849 1.00 50.31 H new ATOM 0 HB3 LEU A 92 5.170 -1.455 8.040 1.00 50.31 H new ATOM 0 HG LEU A 92 6.076 -1.148 10.141 1.00 51.22 H new ATOM 0 HD11 LEU A 92 5.157 -2.892 11.609 1.00 11.53 H new ATOM 0 HD12 LEU A 92 4.040 -2.426 10.304 1.00 11.53 H new ATOM 0 HD13 LEU A 92 4.949 -3.952 10.195 1.00 11.53 H new ATOM 0 HD21 LEU A 92 7.557 -2.746 11.322 1.00 0.44 H new ATOM 0 HD22 LEU A 92 7.566 -3.780 9.873 1.00 0.44 H new ATOM 0 HD23 LEU A 92 8.269 -2.146 9.805 1.00 0.44 H new ATOM 1480 N ARG A 93 6.276 -5.459 8.855 1.00 22.51 N ATOM 1481 CA ARG A 93 7.189 -6.518 9.269 1.00 14.45 C ATOM 1482 C ARG A 93 7.363 -7.516 8.134 1.00 71.31 C ATOM 1483 O ARG A 93 8.480 -7.815 7.706 1.00 63.21 O ATOM 1484 CB ARG A 93 6.656 -7.228 10.522 1.00 25.20 C ATOM 1485 CG ARG A 93 6.478 -6.303 11.719 1.00 22.13 C ATOM 1486 CD ARG A 93 7.810 -5.927 12.351 1.00 52.12 C ATOM 1487 NE ARG A 93 8.377 -7.026 13.136 1.00 31.53 N ATOM 1488 CZ ARG A 93 9.349 -6.869 14.040 1.00 1.13 C ATOM 1489 NH1 ARG A 93 9.897 -5.672 14.225 1.00 23.43 N ATOM 1490 NH2 ARG A 93 9.772 -7.905 14.755 1.00 24.43 N ATOM 0 H ARG A 93 5.400 -5.426 9.376 1.00 22.51 H new ATOM 0 HA ARG A 93 8.156 -6.076 9.510 1.00 14.45 H new ATOM 0 HB2 ARG A 93 5.698 -7.692 10.287 1.00 25.20 H new ATOM 0 HB3 ARG A 93 7.341 -8.031 10.793 1.00 25.20 H new ATOM 0 HG2 ARG A 93 5.958 -5.398 11.404 1.00 22.13 H new ATOM 0 HG3 ARG A 93 5.848 -6.790 12.463 1.00 22.13 H new ATOM 0 HD2 ARG A 93 8.513 -5.640 11.569 1.00 52.12 H new ATOM 0 HD3 ARG A 93 7.673 -5.056 12.993 1.00 52.12 H new ATOM 0 HE ARG A 93 8.009 -7.965 12.984 1.00 31.53 H new ATOM 0 HH11 ARG A 93 9.576 -4.874 13.677 1.00 23.43 H new ATOM 0 HH12 ARG A 93 10.639 -5.552 14.915 1.00 23.43 H new ATOM 0 HH21 ARG A 93 9.355 -8.825 14.615 1.00 24.43 H new ATOM 0 HH22 ARG A 93 10.514 -7.780 15.444 1.00 24.43 H new ATOM 1504 N GLU A 94 6.242 -7.985 7.616 1.00 1.23 N ATOM 1505 CA GLU A 94 6.239 -8.974 6.554 1.00 3.34 C ATOM 1506 C GLU A 94 6.692 -8.348 5.239 1.00 61.31 C ATOM 1507 O GLU A 94 7.401 -8.971 4.453 1.00 62.21 O ATOM 1508 CB GLU A 94 4.837 -9.547 6.394 1.00 73.13 C ATOM 1509 CG GLU A 94 4.154 -9.857 7.709 1.00 62.02 C ATOM 1510 CD GLU A 94 4.797 -11.011 8.446 1.00 71.24 C ATOM 1511 OE1 GLU A 94 5.796 -10.788 9.160 1.00 61.13 O ATOM 1512 OE2 GLU A 94 4.303 -12.149 8.322 1.00 60.51 O ATOM 0 H GLU A 94 5.313 -7.693 7.918 1.00 1.23 H new ATOM 0 HA GLU A 94 6.933 -9.773 6.817 1.00 3.34 H new ATOM 0 HB2 GLU A 94 4.226 -8.838 5.835 1.00 73.13 H new ATOM 0 HB3 GLU A 94 4.892 -10.459 5.799 1.00 73.13 H new ATOM 0 HG2 GLU A 94 4.176 -8.970 8.342 1.00 62.02 H new ATOM 0 HG3 GLU A 94 3.106 -10.090 7.523 1.00 62.02 H new ATOM 1519 N SER A 95 6.274 -7.109 5.012 1.00 72.24 N ATOM 1520 CA SER A 95 6.632 -6.383 3.799 1.00 33.55 C ATOM 1521 C SER A 95 8.140 -6.215 3.697 1.00 54.43 C ATOM 1522 O SER A 95 8.737 -6.456 2.648 1.00 23.00 O ATOM 1523 CB SER A 95 5.956 -5.013 3.792 1.00 11.41 C ATOM 1524 OG SER A 95 6.341 -4.252 2.660 1.00 24.53 O ATOM 0 H SER A 95 5.683 -6.583 5.656 1.00 72.24 H new ATOM 0 HA SER A 95 6.289 -6.959 2.940 1.00 33.55 H new ATOM 0 HB2 SER A 95 4.873 -5.140 3.796 1.00 11.41 H new ATOM 0 HB3 SER A 95 6.217 -4.472 4.702 1.00 11.41 H new ATOM 0 HG SER A 95 6.472 -3.317 2.923 1.00 24.53 H new ATOM 1530 N LEU A 96 8.751 -5.810 4.798 1.00 32.41 N ATOM 1531 CA LEU A 96 10.190 -5.611 4.848 1.00 22.32 C ATOM 1532 C LEU A 96 10.927 -6.940 4.713 1.00 3.30 C ATOM 1533 O LEU A 96 12.048 -6.988 4.204 1.00 44.40 O ATOM 1534 CB LEU A 96 10.572 -4.894 6.143 1.00 33.34 C ATOM 1535 CG LEU A 96 10.578 -3.355 6.075 1.00 5.24 C ATOM 1536 CD1 LEU A 96 11.600 -2.868 5.062 1.00 70.14 C ATOM 1537 CD2 LEU A 96 9.201 -2.806 5.724 1.00 14.21 C ATOM 0 H LEU A 96 8.269 -5.611 5.675 1.00 32.41 H new ATOM 0 HA LEU A 96 10.488 -4.985 4.007 1.00 22.32 H new ATOM 0 HB2 LEU A 96 9.879 -5.202 6.926 1.00 33.34 H new ATOM 0 HB3 LEU A 96 11.564 -5.230 6.444 1.00 33.34 H new ATOM 0 HG LEU A 96 10.850 -2.986 7.064 1.00 5.24 H new ATOM 0 HD11 LEU A 96 11.589 -1.779 5.029 1.00 70.14 H new ATOM 0 HD12 LEU A 96 12.593 -3.212 5.352 1.00 70.14 H new ATOM 0 HD13 LEU A 96 11.353 -3.264 4.077 1.00 70.14 H new ATOM 0 HD21 LEU A 96 9.242 -1.717 5.685 1.00 14.21 H new ATOM 0 HD22 LEU A 96 8.892 -3.193 4.753 1.00 14.21 H new ATOM 0 HD23 LEU A 96 8.482 -3.115 6.483 1.00 14.21 H new ATOM 1549 N ARG A 97 10.293 -8.018 5.170 1.00 34.10 N ATOM 1550 CA ARG A 97 10.817 -9.364 4.955 1.00 11.11 C ATOM 1551 C ARG A 97 10.785 -9.729 3.472 1.00 21.13 C ATOM 1552 O ARG A 97 11.787 -10.171 2.910 1.00 30.43 O ATOM 1553 CB ARG A 97 10.001 -10.395 5.736 1.00 62.24 C ATOM 1554 CG ARG A 97 10.329 -10.472 7.215 1.00 32.24 C ATOM 1555 CD ARG A 97 11.750 -10.963 7.446 1.00 72.45 C ATOM 1556 NE ARG A 97 11.925 -11.514 8.788 1.00 33.00 N ATOM 1557 CZ ARG A 97 13.093 -11.912 9.284 1.00 55.15 C ATOM 1558 NH1 ARG A 97 14.209 -11.738 8.587 1.00 51.33 N ATOM 1559 NH2 ARG A 97 13.145 -12.466 10.492 1.00 63.54 N ATOM 0 H ARG A 97 9.417 -7.985 5.691 1.00 34.10 H new ATOM 0 HA ARG A 97 11.848 -9.374 5.308 1.00 11.11 H new ATOM 0 HB2 ARG A 97 8.942 -10.161 5.624 1.00 62.24 H new ATOM 0 HB3 ARG A 97 10.160 -11.377 5.291 1.00 62.24 H new ATOM 0 HG2 ARG A 97 10.205 -9.488 7.668 1.00 32.24 H new ATOM 0 HG3 ARG A 97 9.626 -11.142 7.710 1.00 32.24 H new ATOM 0 HD2 ARG A 97 11.996 -11.725 6.706 1.00 72.45 H new ATOM 0 HD3 ARG A 97 12.447 -10.138 7.298 1.00 72.45 H new ATOM 0 HE ARG A 97 11.100 -11.599 9.381 1.00 33.00 H new ATOM 0 HH11 ARG A 97 14.173 -11.298 7.668 1.00 51.33 H new ATOM 0 HH12 ARG A 97 15.103 -12.045 8.971 1.00 51.33 H new ATOM 0 HH21 ARG A 97 12.290 -12.585 11.036 1.00 63.54 H new ATOM 0 HH22 ARG A 97 14.040 -12.772 10.875 1.00 63.54 H new ATOM 1573 N ALA A 98 9.627 -9.531 2.851 1.00 14.51 N ATOM 1574 CA ALA A 98 9.414 -9.928 1.463 1.00 14.42 C ATOM 1575 C ALA A 98 10.266 -9.113 0.496 1.00 20.13 C ATOM 1576 O ALA A 98 10.878 -9.668 -0.417 1.00 71.10 O ATOM 1577 CB ALA A 98 7.942 -9.797 1.100 1.00 62.02 C ATOM 0 H ALA A 98 8.816 -9.095 3.290 1.00 14.51 H new ATOM 0 HA ALA A 98 9.721 -10.970 1.371 1.00 14.42 H new ATOM 0 HB1 ALA A 98 7.795 -10.096 0.062 1.00 62.02 H new ATOM 0 HB2 ALA A 98 7.348 -10.440 1.750 1.00 62.02 H new ATOM 0 HB3 ALA A 98 7.627 -8.761 1.227 1.00 62.02 H new ATOM 1583 N ALA A 99 10.313 -7.802 0.702 1.00 22.33 N ATOM 1584 CA ALA A 99 11.017 -6.914 -0.215 1.00 44.21 C ATOM 1585 C ALA A 99 12.529 -7.153 -0.190 1.00 61.11 C ATOM 1586 O ALA A 99 13.079 -7.758 -1.105 1.00 74.33 O ATOM 1587 CB ALA A 99 10.716 -5.460 0.100 1.00 2.40 C ATOM 0 H ALA A 99 9.874 -7.332 1.493 1.00 22.33 H new ATOM 0 HA ALA A 99 10.657 -7.141 -1.218 1.00 44.21 H new ATOM 0 HB1 ALA A 99 11.253 -4.818 -0.598 1.00 2.40 H new ATOM 0 HB2 ALA A 99 9.645 -5.282 0.007 1.00 2.40 H new ATOM 0 HB3 ALA A 99 11.034 -5.235 1.118 1.00 2.40 H new ATOM 1593 N SER A 100 13.191 -6.638 0.852 1.00 63.40 N ATOM 1594 CA SER A 100 14.635 -6.836 1.065 1.00 32.42 C ATOM 1595 C SER A 100 15.521 -6.084 0.048 1.00 73.31 C ATOM 1596 O SER A 100 16.736 -6.020 0.225 1.00 74.34 O ATOM 1597 CB SER A 100 14.983 -8.332 1.065 1.00 41.53 C ATOM 1598 OG SER A 100 14.285 -9.020 2.096 1.00 10.01 O ATOM 0 H SER A 100 12.744 -6.072 1.573 1.00 63.40 H new ATOM 0 HA SER A 100 14.854 -6.407 2.043 1.00 32.42 H new ATOM 0 HB2 SER A 100 14.731 -8.767 0.098 1.00 41.53 H new ATOM 0 HB3 SER A 100 16.057 -8.459 1.201 1.00 41.53 H new ATOM 0 HG SER A 100 13.351 -9.151 1.828 1.00 10.01 H new ATOM 1604 N LEU A 101 14.930 -5.503 -0.994 1.00 24.55 N ATOM 1605 CA LEU A 101 15.705 -4.771 -2.003 1.00 3.05 C ATOM 1606 C LEU A 101 15.868 -3.296 -1.604 1.00 43.14 C ATOM 1607 O LEU A 101 15.644 -2.381 -2.403 1.00 44.40 O ATOM 1608 CB LEU A 101 15.062 -4.895 -3.405 1.00 2.40 C ATOM 1609 CG LEU A 101 13.755 -4.122 -3.659 1.00 1.30 C ATOM 1610 CD1 LEU A 101 13.430 -4.117 -5.146 1.00 22.44 C ATOM 1611 CD2 LEU A 101 12.591 -4.713 -2.880 1.00 30.21 C ATOM 0 H LEU A 101 13.925 -5.522 -1.164 1.00 24.55 H new ATOM 0 HA LEU A 101 16.696 -5.222 -2.052 1.00 3.05 H new ATOM 0 HB2 LEU A 101 15.795 -4.567 -4.142 1.00 2.40 H new ATOM 0 HB3 LEU A 101 14.870 -5.951 -3.595 1.00 2.40 H new ATOM 0 HG LEU A 101 13.905 -3.099 -3.314 1.00 1.30 H new ATOM 0 HD11 LEU A 101 12.504 -3.568 -5.314 1.00 22.44 H new ATOM 0 HD12 LEU A 101 14.241 -3.637 -5.694 1.00 22.44 H new ATOM 0 HD13 LEU A 101 13.312 -5.142 -5.496 1.00 22.44 H new ATOM 0 HD21 LEU A 101 11.687 -4.140 -3.086 1.00 30.21 H new ATOM 0 HD22 LEU A 101 12.440 -5.749 -3.182 1.00 30.21 H new ATOM 0 HD23 LEU A 101 12.810 -4.674 -1.813 1.00 30.21 H new ATOM 1623 N LEU A 102 16.322 -3.072 -0.382 1.00 34.41 N ATOM 1624 CA LEU A 102 16.340 -1.734 0.195 1.00 41.02 C ATOM 1625 C LEU A 102 17.600 -0.962 -0.180 1.00 23.43 C ATOM 1626 O LEU A 102 17.746 0.205 0.178 1.00 73.01 O ATOM 1627 CB LEU A 102 16.210 -1.820 1.712 1.00 11.23 C ATOM 1628 CG LEU A 102 14.929 -2.486 2.206 1.00 44.42 C ATOM 1629 CD1 LEU A 102 14.860 -2.433 3.722 1.00 65.42 C ATOM 1630 CD2 LEU A 102 13.711 -1.817 1.580 1.00 62.33 C ATOM 0 H LEU A 102 16.685 -3.801 0.233 1.00 34.41 H new ATOM 0 HA LEU A 102 15.491 -1.188 -0.216 1.00 41.02 H new ATOM 0 HB2 LEU A 102 17.064 -2.371 2.106 1.00 11.23 H new ATOM 0 HB3 LEU A 102 16.262 -0.813 2.125 1.00 11.23 H new ATOM 0 HG LEU A 102 14.935 -3.533 1.903 1.00 44.42 H new ATOM 0 HD11 LEU A 102 13.941 -2.911 4.061 1.00 65.42 H new ATOM 0 HD12 LEU A 102 15.719 -2.956 4.144 1.00 65.42 H new ATOM 0 HD13 LEU A 102 14.871 -1.394 4.051 1.00 65.42 H new ATOM 0 HD21 LEU A 102 12.804 -2.302 1.941 1.00 62.33 H new ATOM 0 HD22 LEU A 102 13.693 -0.763 1.856 1.00 62.33 H new ATOM 0 HD23 LEU A 102 13.764 -1.907 0.495 1.00 62.33 H new ATOM 1642 N ASP A 103 18.504 -1.607 -0.898 1.00 52.11 N ATOM 1643 CA ASP A 103 19.701 -0.931 -1.378 1.00 54.31 C ATOM 1644 C ASP A 103 19.360 -0.037 -2.560 1.00 25.54 C ATOM 1645 O ASP A 103 20.044 0.947 -2.827 1.00 5.02 O ATOM 1646 CB ASP A 103 20.776 -1.946 -1.776 1.00 3.20 C ATOM 1647 CG ASP A 103 22.005 -1.296 -2.387 1.00 73.42 C ATOM 1648 OD1 ASP A 103 22.734 -0.589 -1.663 1.00 43.45 O ATOM 1649 OD2 ASP A 103 22.248 -1.493 -3.598 1.00 23.11 O ATOM 0 H ASP A 103 18.435 -2.590 -1.161 1.00 52.11 H new ATOM 0 HA ASP A 103 20.094 -0.315 -0.570 1.00 54.31 H new ATOM 0 HB2 ASP A 103 21.073 -2.517 -0.896 1.00 3.20 H new ATOM 0 HB3 ASP A 103 20.354 -2.654 -2.489 1.00 3.20 H new ATOM 1654 N LYS A 104 18.284 -0.378 -3.257 1.00 10.43 N ATOM 1655 CA LYS A 104 17.875 0.374 -4.432 1.00 30.25 C ATOM 1656 C LYS A 104 16.627 1.212 -4.163 1.00 54.25 C ATOM 1657 O LYS A 104 16.605 2.401 -4.466 1.00 3.53 O ATOM 1658 CB LYS A 104 17.667 -0.570 -5.621 1.00 62.33 C ATOM 1659 CG LYS A 104 16.696 -1.708 -5.356 1.00 12.32 C ATOM 1660 CD LYS A 104 16.906 -2.870 -6.320 1.00 20.24 C ATOM 1661 CE LYS A 104 18.150 -3.681 -5.969 1.00 32.42 C ATOM 1662 NZ LYS A 104 19.416 -2.990 -6.348 1.00 44.14 N ATOM 0 H LYS A 104 17.681 -1.169 -3.029 1.00 10.43 H new ATOM 0 HA LYS A 104 18.676 1.071 -4.680 1.00 30.25 H new ATOM 0 HB2 LYS A 104 17.306 0.009 -6.471 1.00 62.33 H new ATOM 0 HB3 LYS A 104 18.631 -0.990 -5.909 1.00 62.33 H new ATOM 0 HG2 LYS A 104 16.819 -2.059 -4.332 1.00 12.32 H new ATOM 0 HG3 LYS A 104 15.673 -1.341 -5.446 1.00 12.32 H new ATOM 0 HD2 LYS A 104 16.031 -3.520 -6.301 1.00 20.24 H new ATOM 0 HD3 LYS A 104 16.997 -2.487 -7.336 1.00 20.24 H new ATOM 0 HE2 LYS A 104 18.157 -3.881 -4.898 1.00 32.42 H new ATOM 0 HE3 LYS A 104 18.103 -4.646 -6.473 1.00 32.42 H new ATOM 0 HZ1 LYS A 104 20.123 -3.695 -6.640 1.00 44.14 H new ATOM 0 HZ2 LYS A 104 19.233 -2.337 -7.136 1.00 44.14 H new ATOM 0 HZ3 LYS A 104 19.777 -2.455 -5.532 1.00 44.14 H new ATOM 1676 N ILE A 105 15.592 0.609 -3.586 1.00 72.42 N ATOM 1677 CA ILE A 105 14.361 1.347 -3.319 1.00 63.44 C ATOM 1678 C ILE A 105 14.428 2.033 -1.960 1.00 41.04 C ATOM 1679 O ILE A 105 13.986 3.170 -1.802 1.00 75.35 O ATOM 1680 CB ILE A 105 13.107 0.444 -3.415 1.00 44.13 C ATOM 1681 CG1 ILE A 105 13.144 -0.710 -2.416 1.00 74.44 C ATOM 1682 CG2 ILE A 105 12.964 -0.094 -4.825 1.00 20.32 C ATOM 1683 CD1 ILE A 105 12.325 -0.450 -1.173 1.00 53.24 C ATOM 0 H ILE A 105 15.579 -0.370 -3.299 1.00 72.42 H new ATOM 0 HA ILE A 105 14.269 2.110 -4.092 1.00 63.44 H new ATOM 0 HB ILE A 105 12.243 1.060 -3.165 1.00 44.13 H new ATOM 0 HG12 ILE A 105 12.777 -1.614 -2.902 1.00 74.44 H new ATOM 0 HG13 ILE A 105 14.178 -0.900 -2.128 1.00 74.44 H new ATOM 0 HG21 ILE A 105 12.080 -0.728 -4.884 1.00 20.32 H new ATOM 0 HG22 ILE A 105 12.862 0.737 -5.523 1.00 20.32 H new ATOM 0 HG23 ILE A 105 13.847 -0.678 -5.083 1.00 20.32 H new ATOM 0 HD11 ILE A 105 12.394 -1.309 -0.505 1.00 53.24 H new ATOM 0 HD12 ILE A 105 12.706 0.436 -0.665 1.00 53.24 H new ATOM 0 HD13 ILE A 105 11.283 -0.290 -1.451 1.00 53.24 H new ATOM 1695 N GLY A 106 15.009 1.337 -0.994 1.00 3.52 N ATOM 1696 CA GLY A 106 15.203 1.897 0.327 1.00 51.31 C ATOM 1697 C GLY A 106 13.921 2.338 1.017 1.00 72.14 C ATOM 1698 O GLY A 106 13.108 1.509 1.437 1.00 4.53 O ATOM 0 H GLY A 106 15.353 0.383 -1.104 1.00 3.52 H new ATOM 0 HA2 GLY A 106 15.702 1.157 0.953 1.00 51.31 H new ATOM 0 HA3 GLY A 106 15.873 2.753 0.251 1.00 51.31 H new ATOM 1702 N GLU A 107 13.735 3.647 1.103 1.00 74.43 N ATOM 1703 CA GLU A 107 12.697 4.235 1.941 1.00 55.42 C ATOM 1704 C GLU A 107 11.415 4.509 1.156 1.00 35.04 C ATOM 1705 O GLU A 107 10.694 5.462 1.447 1.00 12.45 O ATOM 1706 CB GLU A 107 13.201 5.541 2.568 1.00 24.34 C ATOM 1707 CG GLU A 107 14.403 5.377 3.494 1.00 4.41 C ATOM 1708 CD GLU A 107 15.692 5.058 2.759 1.00 4.05 C ATOM 1709 OE1 GLU A 107 16.135 5.888 1.940 1.00 33.24 O ATOM 1710 OE2 GLU A 107 16.276 3.981 3.006 1.00 24.03 O ATOM 0 H GLU A 107 14.297 4.331 0.596 1.00 74.43 H new ATOM 0 HA GLU A 107 12.465 3.513 2.724 1.00 55.42 H new ATOM 0 HB2 GLU A 107 13.466 6.234 1.769 1.00 24.34 H new ATOM 0 HB3 GLU A 107 12.386 5.998 3.129 1.00 24.34 H new ATOM 0 HG2 GLU A 107 14.538 6.294 4.067 1.00 4.41 H new ATOM 0 HG3 GLU A 107 14.195 4.581 4.209 1.00 4.41 H new ATOM 1717 N ASP A 108 11.122 3.663 0.178 1.00 63.21 N ATOM 1718 CA ASP A 108 9.897 3.808 -0.611 1.00 45.52 C ATOM 1719 C ASP A 108 8.666 3.435 0.210 1.00 45.54 C ATOM 1720 O ASP A 108 7.553 3.868 -0.085 1.00 50.31 O ATOM 1721 CB ASP A 108 9.955 2.955 -1.878 1.00 75.20 C ATOM 1722 CG ASP A 108 10.847 3.554 -2.947 1.00 74.12 C ATOM 1723 OD1 ASP A 108 10.975 4.798 -3.000 1.00 61.41 O ATOM 1724 OD2 ASP A 108 11.412 2.788 -3.749 1.00 71.51 O ATOM 0 H ASP A 108 11.709 2.873 -0.090 1.00 63.21 H new ATOM 0 HA ASP A 108 9.818 4.856 -0.899 1.00 45.52 H new ATOM 0 HB2 ASP A 108 10.318 1.959 -1.624 1.00 75.20 H new ATOM 0 HB3 ASP A 108 8.948 2.835 -2.277 1.00 75.20 H new ATOM 1729 N HIS A 109 8.873 2.633 1.245 1.00 1.03 N ATOM 1730 CA HIS A 109 7.786 2.232 2.132 1.00 41.35 C ATOM 1731 C HIS A 109 8.168 2.471 3.592 1.00 45.31 C ATOM 1732 O HIS A 109 9.096 1.859 4.120 1.00 40.33 O ATOM 1733 CB HIS A 109 7.352 0.769 1.883 1.00 65.43 C ATOM 1734 CG HIS A 109 8.465 -0.240 1.742 1.00 31.54 C ATOM 1735 ND1 HIS A 109 8.271 -1.498 1.203 1.00 3.45 N ATOM 1736 CD2 HIS A 109 9.780 -0.179 2.066 1.00 44.21 C ATOM 1737 CE1 HIS A 109 9.408 -2.160 1.211 1.00 11.55 C ATOM 1738 NE2 HIS A 109 10.343 -1.384 1.727 1.00 52.14 N ATOM 0 H HIS A 109 9.784 2.246 1.493 1.00 1.03 H new ATOM 0 HA HIS A 109 6.921 2.856 1.906 1.00 41.35 H new ATOM 0 HB2 HIS A 109 6.709 0.457 2.706 1.00 65.43 H new ATOM 0 HB3 HIS A 109 6.747 0.740 0.977 1.00 65.43 H new ATOM 0 HD1 HIS A 109 7.383 -1.858 0.853 1.00 3.45 H new ATOM 0 HD2 HIS A 109 10.291 0.663 2.509 1.00 44.21 H new ATOM 0 HE1 HIS A 109 9.552 -3.169 0.855 1.00 11.55 H new ATOM 1747 N ILE A 110 7.443 3.390 4.224 1.00 74.34 N ATOM 1748 CA ILE A 110 7.762 3.862 5.574 1.00 34.53 C ATOM 1749 C ILE A 110 6.495 3.920 6.439 1.00 73.13 C ATOM 1750 O ILE A 110 5.546 3.181 6.198 1.00 2.34 O ATOM 1751 CB ILE A 110 8.453 5.263 5.546 1.00 32.10 C ATOM 1752 CG1 ILE A 110 7.471 6.411 5.220 1.00 64.20 C ATOM 1753 CG2 ILE A 110 9.616 5.275 4.563 1.00 54.23 C ATOM 1754 CD1 ILE A 110 6.619 6.210 3.984 1.00 23.14 C ATOM 0 H ILE A 110 6.618 3.830 3.817 1.00 74.34 H new ATOM 0 HA ILE A 110 8.461 3.149 6.011 1.00 34.53 H new ATOM 0 HB ILE A 110 8.830 5.438 6.553 1.00 32.10 H new ATOM 0 HG12 ILE A 110 6.811 6.555 6.075 1.00 64.20 H new ATOM 0 HG13 ILE A 110 8.043 7.331 5.100 1.00 64.20 H new ATOM 0 HG21 ILE A 110 10.081 6.261 4.561 1.00 54.23 H new ATOM 0 HG22 ILE A 110 10.351 4.527 4.860 1.00 54.23 H new ATOM 0 HG23 ILE A 110 9.249 5.045 3.563 1.00 54.23 H new ATOM 0 HD11 ILE A 110 5.967 7.073 3.847 1.00 23.14 H new ATOM 0 HD12 ILE A 110 7.263 6.101 3.112 1.00 23.14 H new ATOM 0 HD13 ILE A 110 6.013 5.312 4.102 1.00 23.14 H new ATOM 1766 N PHE A 111 6.489 4.784 7.453 1.00 22.01 N ATOM 1767 CA PHE A 111 5.332 4.935 8.331 1.00 0.23 C ATOM 1768 C PHE A 111 4.561 6.230 8.050 1.00 55.41 C ATOM 1769 O PHE A 111 4.799 6.902 7.050 1.00 42.52 O ATOM 1770 CB PHE A 111 5.769 4.897 9.798 1.00 3.22 C ATOM 1771 CG PHE A 111 6.146 3.524 10.267 1.00 3.21 C ATOM 1772 CD1 PHE A 111 5.167 2.580 10.519 1.00 0.40 C ATOM 1773 CD2 PHE A 111 7.473 3.175 10.449 1.00 32.31 C ATOM 1774 CE1 PHE A 111 5.500 1.310 10.942 1.00 74.50 C ATOM 1775 CE2 PHE A 111 7.815 1.905 10.873 1.00 64.20 C ATOM 1776 CZ PHE A 111 6.827 0.972 11.120 1.00 74.44 C ATOM 0 H PHE A 111 7.275 5.391 7.686 1.00 22.01 H new ATOM 0 HA PHE A 111 4.662 4.100 8.129 1.00 0.23 H new ATOM 0 HB2 PHE A 111 6.618 5.566 9.935 1.00 3.22 H new ATOM 0 HB3 PHE A 111 4.960 5.277 10.421 1.00 3.22 H new ATOM 0 HD1 PHE A 111 4.128 2.841 10.383 1.00 0.40 H new ATOM 0 HD2 PHE A 111 8.248 3.902 10.258 1.00 32.31 H new ATOM 0 HE1 PHE A 111 4.725 0.582 11.133 1.00 74.50 H new ATOM 0 HE2 PHE A 111 8.853 1.642 11.011 1.00 64.20 H new ATOM 0 HZ PHE A 111 7.092 -0.021 11.452 1.00 74.44 H new ATOM 1786 N MET A 112 3.615 6.527 8.944 1.00 30.43 N ATOM 1787 CA MET A 112 2.773 7.736 8.896 1.00 44.35 C ATOM 1788 C MET A 112 3.546 8.983 8.456 1.00 51.01 C ATOM 1789 O MET A 112 4.470 9.423 9.143 1.00 45.11 O ATOM 1790 CB MET A 112 2.180 7.973 10.293 1.00 61.23 C ATOM 1791 CG MET A 112 1.377 9.262 10.448 1.00 71.24 C ATOM 1792 SD MET A 112 -0.369 9.078 10.025 1.00 74.13 S ATOM 1793 CE MET A 112 -0.303 9.044 8.241 1.00 40.04 C ATOM 0 H MET A 112 3.405 5.925 9.740 1.00 30.43 H new ATOM 0 HA MET A 112 1.992 7.568 8.155 1.00 44.35 H new ATOM 0 HB2 MET A 112 1.536 7.130 10.545 1.00 61.23 H new ATOM 0 HB3 MET A 112 2.993 7.981 11.019 1.00 61.23 H new ATOM 0 HG2 MET A 112 1.459 9.610 11.478 1.00 71.24 H new ATOM 0 HG3 MET A 112 1.817 10.033 9.815 1.00 71.24 H new ATOM 0 HE1 MET A 112 -0.844 9.901 7.840 1.00 40.04 H new ATOM 0 HE2 MET A 112 0.736 9.086 7.914 1.00 40.04 H new ATOM 0 HE3 MET A 112 -0.761 8.124 7.877 1.00 40.04 H new ATOM 1803 N THR A 113 3.159 9.547 7.307 1.00 62.30 N ATOM 1804 CA THR A 113 3.754 10.792 6.817 1.00 52.23 C ATOM 1805 C THR A 113 3.120 11.244 5.495 1.00 25.31 C ATOM 1806 O THR A 113 2.908 12.436 5.284 1.00 71.11 O ATOM 1807 CB THR A 113 5.290 10.671 6.634 1.00 45.34 C ATOM 1808 OG1 THR A 113 5.834 11.912 6.177 1.00 53.03 O ATOM 1809 CG2 THR A 113 5.653 9.574 5.642 1.00 31.33 C ATOM 0 H THR A 113 2.436 9.160 6.700 1.00 62.30 H new ATOM 0 HA THR A 113 3.552 11.543 7.581 1.00 52.23 H new ATOM 0 HB THR A 113 5.713 10.414 7.605 1.00 45.34 H new ATOM 0 HG1 THR A 113 6.804 11.823 6.067 1.00 53.03 H new ATOM 0 HG21 THR A 113 6.737 9.520 5.540 1.00 31.33 H new ATOM 0 HG22 THR A 113 5.274 8.618 6.002 1.00 31.33 H new ATOM 0 HG23 THR A 113 5.208 9.799 4.672 1.00 31.33 H new ATOM 1817 N LEU A 114 2.793 10.282 4.631 1.00 71.42 N ATOM 1818 CA LEU A 114 2.348 10.566 3.259 1.00 24.14 C ATOM 1819 C LEU A 114 1.251 11.636 3.150 1.00 60.31 C ATOM 1820 O LEU A 114 1.407 12.568 2.361 1.00 61.32 O ATOM 1821 CB LEU A 114 1.909 9.276 2.565 1.00 63.44 C ATOM 1822 CG LEU A 114 2.967 8.652 1.659 1.00 13.34 C ATOM 1823 CD1 LEU A 114 2.609 7.215 1.331 1.00 13.22 C ATOM 1824 CD2 LEU A 114 3.104 9.465 0.379 1.00 23.05 C ATOM 0 H LEU A 114 2.828 9.288 4.857 1.00 71.42 H new ATOM 0 HA LEU A 114 3.215 10.989 2.752 1.00 24.14 H new ATOM 0 HB2 LEU A 114 1.625 8.548 3.325 1.00 63.44 H new ATOM 0 HB3 LEU A 114 1.018 9.482 1.973 1.00 63.44 H new ATOM 0 HG LEU A 114 3.921 8.657 2.186 1.00 13.34 H new ATOM 0 HD11 LEU A 114 3.375 6.788 0.684 1.00 13.22 H new ATOM 0 HD12 LEU A 114 2.548 6.636 2.252 1.00 13.22 H new ATOM 0 HD13 LEU A 114 1.646 7.187 0.820 1.00 13.22 H new ATOM 0 HD21 LEU A 114 3.861 9.012 -0.261 1.00 23.05 H new ATOM 0 HD22 LEU A 114 2.149 9.482 -0.145 1.00 23.05 H new ATOM 0 HD23 LEU A 114 3.400 10.485 0.626 1.00 23.05 H new ATOM 1836 N PRO A 115 0.130 11.532 3.905 1.00 30.43 N ATOM 1837 CA PRO A 115 -0.950 12.541 3.856 1.00 4.01 C ATOM 1838 C PRO A 115 -0.440 13.978 4.008 1.00 15.53 C ATOM 1839 O PRO A 115 -1.023 14.917 3.463 1.00 33.11 O ATOM 1840 CB PRO A 115 -1.848 12.165 5.034 1.00 72.35 C ATOM 1841 CG PRO A 115 -1.659 10.698 5.196 1.00 42.01 C ATOM 1842 CD PRO A 115 -0.202 10.428 4.830 1.00 45.30 C ATOM 0 HA PRO A 115 -1.458 12.531 2.892 1.00 4.01 H new ATOM 0 HB2 PRO A 115 -1.563 12.704 5.938 1.00 72.35 H new ATOM 0 HB3 PRO A 115 -2.891 12.411 4.832 1.00 72.35 H new ATOM 0 HG2 PRO A 115 -1.870 10.386 6.219 1.00 42.01 H new ATOM 0 HG3 PRO A 115 -2.336 10.142 4.547 1.00 42.01 H new ATOM 0 HD2 PRO A 115 0.441 10.434 5.710 1.00 45.30 H new ATOM 0 HD3 PRO A 115 -0.081 9.455 4.354 1.00 45.30 H new ATOM 1850 N THR A 116 0.649 14.141 4.745 1.00 73.53 N ATOM 1851 CA THR A 116 1.265 15.445 4.919 1.00 53.32 C ATOM 1852 C THR A 116 2.394 15.643 3.906 1.00 45.44 C ATOM 1853 O THR A 116 2.508 16.701 3.287 1.00 71.15 O ATOM 1854 CB THR A 116 1.831 15.599 6.347 1.00 10.45 C ATOM 1855 OG1 THR A 116 0.863 15.150 7.308 1.00 61.05 O ATOM 1856 CG2 THR A 116 2.200 17.048 6.637 1.00 21.52 C ATOM 0 H THR A 116 1.125 13.382 5.233 1.00 73.53 H new ATOM 0 HA THR A 116 0.496 16.200 4.757 1.00 53.32 H new ATOM 0 HB THR A 116 2.732 14.991 6.421 1.00 10.45 H new ATOM 0 HG1 THR A 116 1.229 15.249 8.212 1.00 61.05 H new ATOM 0 HG21 THR A 116 2.596 17.127 7.649 1.00 21.52 H new ATOM 0 HG22 THR A 116 2.955 17.381 5.925 1.00 21.52 H new ATOM 0 HG23 THR A 116 1.313 17.675 6.544 1.00 21.52 H new ATOM 1864 N ALA A 117 3.191 14.596 3.726 1.00 2.31 N ATOM 1865 CA ALA A 117 4.392 14.643 2.900 1.00 61.52 C ATOM 1866 C ALA A 117 4.116 15.153 1.488 1.00 32.35 C ATOM 1867 O ALA A 117 4.733 16.122 1.051 1.00 12.54 O ATOM 1868 CB ALA A 117 5.040 13.268 2.839 1.00 23.54 C ATOM 0 H ALA A 117 3.021 13.685 4.152 1.00 2.31 H new ATOM 0 HA ALA A 117 5.073 15.352 3.370 1.00 61.52 H new ATOM 0 HB1 ALA A 117 5.936 13.315 2.220 1.00 23.54 H new ATOM 0 HB2 ALA A 117 5.311 12.949 3.845 1.00 23.54 H new ATOM 0 HB3 ALA A 117 4.338 12.554 2.408 1.00 23.54 H new ATOM 1874 N VAL A 118 3.188 14.513 0.781 1.00 50.23 N ATOM 1875 CA VAL A 118 2.934 14.850 -0.621 1.00 45.10 C ATOM 1876 C VAL A 118 2.554 16.322 -0.791 1.00 14.55 C ATOM 1877 O VAL A 118 3.109 17.022 -1.640 1.00 20.13 O ATOM 1878 CB VAL A 118 1.841 13.949 -1.251 1.00 42.22 C ATOM 1879 CG1 VAL A 118 2.349 12.526 -1.399 1.00 2.40 C ATOM 1880 CG2 VAL A 118 0.557 13.968 -0.429 1.00 41.14 C ATOM 0 H VAL A 118 2.603 13.764 1.150 1.00 50.23 H new ATOM 0 HA VAL A 118 3.870 14.669 -1.149 1.00 45.10 H new ATOM 0 HB VAL A 118 1.611 14.349 -2.238 1.00 42.22 H new ATOM 0 HG11 VAL A 118 1.570 11.906 -1.843 1.00 2.40 H new ATOM 0 HG12 VAL A 118 3.229 12.519 -2.042 1.00 2.40 H new ATOM 0 HG13 VAL A 118 2.613 12.130 -0.418 1.00 2.40 H new ATOM 0 HG21 VAL A 118 -0.186 13.325 -0.901 1.00 41.14 H new ATOM 0 HG22 VAL A 118 0.764 13.605 0.578 1.00 41.14 H new ATOM 0 HG23 VAL A 118 0.174 14.987 -0.376 1.00 41.14 H new ATOM 1890 N GLN A 119 1.644 16.795 0.048 1.00 12.03 N ATOM 1891 CA GLN A 119 1.165 18.166 -0.036 1.00 15.40 C ATOM 1892 C GLN A 119 2.255 19.141 0.396 1.00 45.20 C ATOM 1893 O GLN A 119 2.371 20.242 -0.143 1.00 72.24 O ATOM 1894 CB GLN A 119 -0.082 18.330 0.834 1.00 51.53 C ATOM 1895 CG GLN A 119 -0.727 19.703 0.742 1.00 23.40 C ATOM 1896 CD GLN A 119 -2.011 19.796 1.543 1.00 4.41 C ATOM 1897 OE1 GLN A 119 -2.917 20.555 1.198 1.00 2.21 O ATOM 1898 NE2 GLN A 119 -2.097 19.027 2.619 1.00 31.41 N ATOM 0 H GLN A 119 1.221 16.247 0.797 1.00 12.03 H new ATOM 0 HA GLN A 119 0.905 18.389 -1.071 1.00 15.40 H new ATOM 0 HB2 GLN A 119 -0.815 17.576 0.546 1.00 51.53 H new ATOM 0 HB3 GLN A 119 0.185 18.135 1.873 1.00 51.53 H new ATOM 0 HG2 GLN A 119 -0.024 20.456 1.099 1.00 23.40 H new ATOM 0 HG3 GLN A 119 -0.937 19.933 -0.303 1.00 23.40 H new ATOM 0 HE21 GLN A 119 -1.323 18.412 2.870 1.00 31.41 H new ATOM 0 HE22 GLN A 119 -2.937 19.050 3.197 1.00 31.41 H new ATOM 1907 N ALA A 120 3.066 18.720 1.356 1.00 24.01 N ATOM 1908 CA ALA A 120 4.169 19.536 1.840 1.00 34.42 C ATOM 1909 C ALA A 120 5.245 19.680 0.771 1.00 45.54 C ATOM 1910 O ALA A 120 5.718 20.781 0.497 1.00 10.50 O ATOM 1911 CB ALA A 120 4.753 18.939 3.109 1.00 64.20 C ATOM 0 H ALA A 120 2.980 17.814 1.816 1.00 24.01 H new ATOM 0 HA ALA A 120 3.784 20.530 2.070 1.00 34.42 H new ATOM 0 HB1 ALA A 120 5.577 19.561 3.458 1.00 64.20 H new ATOM 0 HB2 ALA A 120 3.982 18.893 3.878 1.00 64.20 H new ATOM 0 HB3 ALA A 120 5.120 17.934 2.903 1.00 64.20 H new ATOM 1917 N PHE A 121 5.607 18.568 0.151 1.00 71.12 N ATOM 1918 CA PHE A 121 6.664 18.568 -0.853 1.00 13.51 C ATOM 1919 C PHE A 121 6.271 19.381 -2.081 1.00 10.45 C ATOM 1920 O PHE A 121 7.119 20.019 -2.704 1.00 55.13 O ATOM 1921 CB PHE A 121 7.021 17.140 -1.281 1.00 72.03 C ATOM 1922 CG PHE A 121 7.648 16.308 -0.199 1.00 54.14 C ATOM 1923 CD1 PHE A 121 8.452 16.891 0.768 1.00 50.14 C ATOM 1924 CD2 PHE A 121 7.441 14.939 -0.155 1.00 41.12 C ATOM 1925 CE1 PHE A 121 9.036 16.125 1.757 1.00 11.14 C ATOM 1926 CE2 PHE A 121 8.021 14.167 0.834 1.00 12.44 C ATOM 1927 CZ PHE A 121 8.819 14.762 1.792 1.00 34.11 C ATOM 0 H PHE A 121 5.187 17.655 0.323 1.00 71.12 H new ATOM 0 HA PHE A 121 7.536 19.031 -0.392 1.00 13.51 H new ATOM 0 HB2 PHE A 121 6.117 16.641 -1.629 1.00 72.03 H new ATOM 0 HB3 PHE A 121 7.705 17.188 -2.129 1.00 72.03 H new ATOM 0 HD1 PHE A 121 8.624 17.957 0.747 1.00 50.14 H new ATOM 0 HD2 PHE A 121 6.819 14.469 -0.902 1.00 41.12 H new ATOM 0 HE1 PHE A 121 9.662 16.592 2.503 1.00 11.14 H new ATOM 0 HE2 PHE A 121 7.851 13.101 0.858 1.00 12.44 H new ATOM 0 HZ PHE A 121 9.272 14.162 2.567 1.00 34.11 H new ATOM 1937 N ARG A 122 4.984 19.370 -2.420 1.00 2.55 N ATOM 1938 CA ARG A 122 4.508 20.024 -3.640 1.00 52.34 C ATOM 1939 C ARG A 122 4.594 21.550 -3.581 1.00 41.04 C ATOM 1940 O ARG A 122 4.440 22.211 -4.605 1.00 60.41 O ATOM 1941 CB ARG A 122 3.081 19.589 -3.979 1.00 5.24 C ATOM 1942 CG ARG A 122 3.005 18.195 -4.580 1.00 11.12 C ATOM 1943 CD ARG A 122 3.865 18.085 -5.832 1.00 14.40 C ATOM 1944 NE ARG A 122 3.821 16.749 -6.418 1.00 20.33 N ATOM 1945 CZ ARG A 122 4.861 16.153 -6.999 1.00 14.31 C ATOM 1946 NH1 ARG A 122 6.048 16.748 -7.036 1.00 43.45 N ATOM 1947 NH2 ARG A 122 4.711 14.955 -7.537 1.00 31.44 N ATOM 0 H ARG A 122 4.253 18.918 -1.871 1.00 2.55 H new ATOM 0 HA ARG A 122 5.181 19.699 -4.434 1.00 52.34 H new ATOM 0 HB2 ARG A 122 2.474 19.621 -3.074 1.00 5.24 H new ATOM 0 HB3 ARG A 122 2.647 20.303 -4.679 1.00 5.24 H new ATOM 0 HG2 ARG A 122 3.334 17.461 -3.844 1.00 11.12 H new ATOM 0 HG3 ARG A 122 1.970 17.958 -4.825 1.00 11.12 H new ATOM 0 HD2 ARG A 122 3.526 18.814 -6.568 1.00 14.40 H new ATOM 0 HD3 ARG A 122 4.896 18.337 -5.585 1.00 14.40 H new ATOM 0 HE ARG A 122 2.938 16.240 -6.380 1.00 20.33 H new ATOM 0 HH11 ARG A 122 6.170 17.670 -6.617 1.00 43.45 H new ATOM 0 HH12 ARG A 122 6.838 16.283 -7.483 1.00 43.45 H new ATOM 0 HH21 ARG A 122 3.803 14.492 -7.506 1.00 31.44 H new ATOM 0 HH22 ARG A 122 5.504 14.494 -7.983 1.00 31.44 H new ATOM 1961 N ARG A 123 4.840 22.119 -2.408 1.00 3.33 N ATOM 1962 CA ARG A 123 5.025 23.566 -2.321 1.00 54.23 C ATOM 1963 C ARG A 123 6.314 23.906 -1.574 1.00 45.03 C ATOM 1964 O ARG A 123 6.612 25.078 -1.336 1.00 5.11 O ATOM 1965 CB ARG A 123 3.799 24.255 -1.686 1.00 20.35 C ATOM 1966 CG ARG A 123 3.834 24.436 -0.168 1.00 31.35 C ATOM 1967 CD ARG A 123 3.837 23.121 0.587 1.00 4.55 C ATOM 1968 NE ARG A 123 3.333 23.284 1.951 1.00 65.30 N ATOM 1969 CZ ARG A 123 3.978 22.901 3.053 1.00 53.22 C ATOM 1970 NH1 ARG A 123 5.214 22.420 2.989 1.00 21.41 N ATOM 1971 NH2 ARG A 123 3.386 23.031 4.231 1.00 13.40 N ATOM 0 H ARG A 123 4.915 21.618 -1.523 1.00 3.33 H new ATOM 0 HA ARG A 123 5.119 23.953 -3.335 1.00 54.23 H new ATOM 0 HB2 ARG A 123 3.682 25.237 -2.145 1.00 20.35 H new ATOM 0 HB3 ARG A 123 2.911 23.676 -1.941 1.00 20.35 H new ATOM 0 HG2 ARG A 123 4.722 25.006 0.104 1.00 31.35 H new ATOM 0 HG3 ARG A 123 2.970 25.024 0.142 1.00 31.35 H new ATOM 0 HD2 ARG A 123 3.223 22.394 0.056 1.00 4.55 H new ATOM 0 HD3 ARG A 123 4.850 22.720 0.618 1.00 4.55 H new ATOM 0 HE ARG A 123 2.420 23.724 2.067 1.00 65.30 H new ATOM 0 HH11 ARG A 123 5.684 22.339 2.087 1.00 21.41 H new ATOM 0 HH12 ARG A 123 5.694 22.131 3.842 1.00 21.41 H new ATOM 0 HH21 ARG A 123 2.445 23.421 4.289 1.00 13.40 H new ATOM 0 HH22 ARG A 123 3.871 22.741 5.080 1.00 13.40 H new ATOM 1985 N ARG A 124 7.085 22.866 -1.261 1.00 50.21 N ATOM 1986 CA ARG A 124 8.340 22.998 -0.518 1.00 42.45 C ATOM 1987 C ARG A 124 8.099 23.656 0.838 1.00 11.42 C ATOM 1988 O ARG A 124 8.433 24.849 0.999 1.00 51.54 O ATOM 1989 CB ARG A 124 9.376 23.804 -1.312 1.00 25.34 C ATOM 1990 CG ARG A 124 9.645 23.257 -2.703 1.00 53.04 C ATOM 1991 CD ARG A 124 10.110 21.808 -2.667 1.00 3.12 C ATOM 1992 NE ARG A 124 10.418 21.307 -4.006 1.00 21.30 N ATOM 1993 CZ ARG A 124 10.379 20.022 -4.361 1.00 1.45 C ATOM 1994 NH1 ARG A 124 10.046 19.087 -3.479 1.00 35.45 N ATOM 1995 NH2 ARG A 124 10.671 19.670 -5.607 1.00 4.31 N ATOM 0 H ARG A 124 6.858 21.905 -1.516 1.00 50.21 H new ATOM 0 HA ARG A 124 8.734 21.994 -0.360 1.00 42.45 H new ATOM 0 HB2 ARG A 124 9.032 24.835 -1.398 1.00 25.34 H new ATOM 0 HB3 ARG A 124 10.312 23.825 -0.753 1.00 25.34 H new ATOM 0 HG2 ARG A 124 8.738 23.332 -3.303 1.00 53.04 H new ATOM 0 HG3 ARG A 124 10.403 23.869 -3.193 1.00 53.04 H new ATOM 0 HD2 ARG A 124 10.994 21.725 -2.035 1.00 3.12 H new ATOM 0 HD3 ARG A 124 9.336 21.188 -2.215 1.00 3.12 H new ATOM 0 HE ARG A 124 10.681 21.988 -4.718 1.00 21.30 H new ATOM 0 HH11 ARG A 124 9.817 19.349 -2.520 1.00 35.45 H new ATOM 0 HH12 ARG A 124 10.019 18.107 -3.760 1.00 35.45 H new ATOM 0 HH21 ARG A 124 10.925 20.382 -6.292 1.00 4.31 H new ATOM 0 HH22 ARG A 124 10.642 18.688 -5.880 1.00 4.31 H new TER 2009 ARG A 124