USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 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 18 SER OG : rot 31:sc= -1.28! USER MOD Set 1.2: A 19 HIS :FLIP no HD1:sc= -4.25! C(o=-7.4!,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0427 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 7 ASN : amide:sc= -0.264 K(o=-0.26,f=-3.6!) USER MOD Single : A 13 HIS : no HD1:sc= -3.46 K(o=-3.5,f=-4.1) USER MOD Single : A 14 SER OG : rot -2:sc= 0.816 USER MOD Single : A 15 TYR OH : rot 19:sc= 0.745 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.1!) USER MOD Single : A 37 SER OG : rot 118:sc= 1.01 USER MOD Single : A 42 LYS NZ :NH3+ -139:sc= 0.801 (180deg=-1.53!) USER MOD Single : A 44 GLN : amide:sc= -0.049 K(o=-0.049,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.525 9.515 21.754 1.00 0.00 N ATOM 2 CA GLY A 1 2.386 8.769 22.360 1.00 0.00 C ATOM 3 C GLY A 1 2.051 7.555 21.491 1.00 0.00 C ATOM 4 O GLY A 1 2.168 7.594 20.282 1.00 0.00 O ATOM 0 H1 GLY A 1 3.356 10.537 21.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.405 9.266 22.249 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.610 9.263 20.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.644 8.447 23.369 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.516 9.420 22.446 1.00 0.00 H new ATOM 10 N SER A 2 1.636 6.477 22.097 1.00 0.00 N ATOM 11 CA SER A 2 1.294 5.262 21.304 1.00 0.00 C ATOM 12 C SER A 2 0.077 5.533 20.416 1.00 0.00 C ATOM 13 O SER A 2 -0.739 6.380 20.722 1.00 0.00 O ATOM 14 CB SER A 2 0.969 4.188 22.345 1.00 0.00 C ATOM 15 OG SER A 2 2.096 3.988 23.187 1.00 0.00 O ATOM 0 H SER A 2 1.519 6.385 23.106 1.00 0.00 H new ATOM 0 HA SER A 2 2.107 4.959 20.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.107 4.491 22.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.702 3.255 21.849 1.00 0.00 H new ATOM 0 HG SER A 2 1.888 3.302 23.855 1.00 0.00 H new ATOM 21 N PRO A 3 0.000 4.801 19.340 1.00 0.00 N ATOM 22 CA PRO A 3 -1.148 4.994 18.414 1.00 0.00 C ATOM 23 C PRO A 3 -2.469 4.722 19.141 1.00 0.00 C ATOM 24 O PRO A 3 -2.567 3.829 19.958 1.00 0.00 O ATOM 25 CB PRO A 3 -0.915 3.963 17.316 1.00 0.00 C ATOM 26 CG PRO A 3 -0.083 2.902 17.957 1.00 0.00 C ATOM 27 CD PRO A 3 0.753 3.581 19.008 1.00 0.00 C ATOM 0 HA PRO A 3 -1.213 6.010 18.025 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.858 3.558 16.948 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.403 4.405 16.461 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.714 2.132 18.402 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.550 2.408 17.219 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.885 2.945 19.883 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.749 3.818 18.633 1.00 0.00 H new ATOM 35 N LEU A 4 -3.485 5.487 18.848 1.00 0.00 N ATOM 36 CA LEU A 4 -4.798 5.273 19.522 1.00 0.00 C ATOM 37 C LEU A 4 -5.347 3.885 19.182 1.00 0.00 C ATOM 38 O LEU A 4 -5.937 3.220 20.010 1.00 0.00 O ATOM 39 CB LEU A 4 -5.713 6.363 18.963 1.00 0.00 C ATOM 40 CG LEU A 4 -7.018 6.392 19.761 1.00 0.00 C ATOM 41 CD1 LEU A 4 -7.847 5.149 19.428 1.00 0.00 C ATOM 42 CD2 LEU A 4 -6.701 6.409 21.258 1.00 0.00 C ATOM 0 H LEU A 4 -3.463 6.250 18.172 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.718 5.326 20.608 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.218 7.333 19.020 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.922 6.173 17.910 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.584 7.286 19.500 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.777 5.169 19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.073 5.138 18.362 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.282 4.254 19.689 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.631 6.430 21.827 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.135 5.515 21.520 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.111 7.294 21.495 1.00 0.00 H new ATOM 54 N GLN A 5 -5.158 3.443 17.968 1.00 0.00 N ATOM 55 CA GLN A 5 -5.671 2.098 17.577 1.00 0.00 C ATOM 56 C GLN A 5 -5.073 1.019 18.483 1.00 0.00 C ATOM 57 O GLN A 5 -5.687 0.004 18.745 1.00 0.00 O ATOM 58 CB GLN A 5 -5.207 1.904 16.133 1.00 0.00 C ATOM 59 CG GLN A 5 -5.907 2.924 15.232 1.00 0.00 C ATOM 60 CD GLN A 5 -5.442 2.732 13.786 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.418 2.127 13.541 1.00 0.00 O ATOM 62 NE2 GLN A 5 -6.156 3.227 12.812 1.00 0.00 N ATOM 0 H GLN A 5 -4.672 3.954 17.231 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.754 2.025 17.671 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.126 2.026 16.067 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.434 0.891 15.799 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.988 2.801 15.297 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.681 3.936 15.567 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.016 3.735 13.017 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.854 3.106 11.845 1.00 0.00 H new ATOM 71 N ASP A 6 -3.878 1.230 18.964 1.00 0.00 N ATOM 72 CA ASP A 6 -3.242 0.215 19.853 1.00 0.00 C ATOM 73 C ASP A 6 -3.235 -1.155 19.170 1.00 0.00 C ATOM 74 O ASP A 6 -3.544 -2.163 19.774 1.00 0.00 O ATOM 75 CB ASP A 6 -4.116 0.185 21.107 1.00 0.00 C ATOM 76 CG ASP A 6 -3.985 1.514 21.853 1.00 0.00 C ATOM 77 OD1 ASP A 6 -3.005 2.203 21.626 1.00 0.00 O ATOM 78 OD2 ASP A 6 -4.868 1.820 22.638 1.00 0.00 O ATOM 0 H ASP A 6 -3.315 2.060 18.780 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.205 0.459 20.085 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.157 0.010 20.834 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.814 -0.639 21.754 1.00 0.00 H new ATOM 83 N ASN A 7 -2.886 -1.200 17.913 1.00 0.00 N ATOM 84 CA ASN A 7 -2.859 -2.506 17.193 1.00 0.00 C ATOM 85 C ASN A 7 -1.546 -3.242 17.476 1.00 0.00 C ATOM 86 O ASN A 7 -1.276 -4.285 16.915 1.00 0.00 O ATOM 87 CB ASN A 7 -2.964 -2.143 15.711 1.00 0.00 C ATOM 88 CG ASN A 7 -3.230 -3.409 14.895 1.00 0.00 C ATOM 89 OD1 ASN A 7 -2.351 -3.908 14.220 1.00 0.00 O ATOM 90 ND2 ASN A 7 -4.415 -3.955 14.926 1.00 0.00 N ATOM 0 H ASN A 7 -2.619 -0.390 17.354 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.665 -3.168 17.509 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.768 -1.423 15.558 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.042 -1.668 15.375 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.602 -4.799 14.384 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.154 -3.538 15.492 1.00 0.00 H new ATOM 97 N LEU A 8 -0.729 -2.708 18.342 1.00 0.00 N ATOM 98 CA LEU A 8 0.563 -3.379 18.659 1.00 0.00 C ATOM 99 C LEU A 8 0.381 -4.351 19.828 1.00 0.00 C ATOM 100 O LEU A 8 -0.507 -4.197 20.641 1.00 0.00 O ATOM 101 CB LEU A 8 1.513 -2.245 19.048 1.00 0.00 C ATOM 102 CG LEU A 8 1.718 -1.318 17.847 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.506 -0.397 17.701 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.977 -0.474 18.063 1.00 0.00 C ATOM 0 H LEU A 8 -0.900 -1.836 18.843 1.00 0.00 H new ATOM 0 HA LEU A 8 0.944 -3.960 17.819 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.103 -1.684 19.888 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.470 -2.653 19.374 1.00 0.00 H new ATOM 0 HG LEU A 8 1.832 -1.915 16.942 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.652 0.263 16.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.391 -0.997 17.547 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.392 0.201 18.605 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.124 0.186 17.208 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.864 0.123 18.968 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.841 -1.130 18.167 1.00 0.00 H new ATOM 116 N VAL A 9 1.214 -5.352 19.918 1.00 0.00 N ATOM 117 CA VAL A 9 1.083 -6.332 21.034 1.00 0.00 C ATOM 118 C VAL A 9 2.458 -6.880 21.427 1.00 0.00 C ATOM 119 O VAL A 9 3.437 -6.681 20.736 1.00 0.00 O ATOM 120 CB VAL A 9 0.203 -7.452 20.478 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.191 -6.903 20.172 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.828 -8.002 19.194 1.00 0.00 C ATOM 0 H VAL A 9 1.979 -5.534 19.268 1.00 0.00 H new ATOM 0 HA VAL A 9 0.654 -5.879 21.928 1.00 0.00 H new ATOM 0 HB VAL A 9 0.124 -8.251 21.215 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.818 -7.702 19.776 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.637 -6.512 21.087 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.113 -6.103 19.435 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.201 -8.801 18.797 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.908 -7.203 18.457 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.821 -8.395 19.412 1.00 0.00 H new ATOM 132 N ILE A 10 2.534 -7.575 22.529 1.00 0.00 N ATOM 133 CA ILE A 10 3.843 -8.143 22.965 1.00 0.00 C ATOM 134 C ILE A 10 3.801 -9.670 22.879 1.00 0.00 C ATOM 135 O ILE A 10 2.774 -10.284 23.093 1.00 0.00 O ATOM 136 CB ILE A 10 4.009 -7.690 24.416 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.889 -6.166 24.492 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.385 -8.119 24.930 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.789 -5.532 23.430 1.00 0.00 C ATOM 0 H ILE A 10 1.747 -7.774 23.147 1.00 0.00 H new ATOM 0 HA ILE A 10 4.671 -7.809 22.340 1.00 0.00 H new ATOM 0 HB ILE A 10 3.233 -8.147 25.030 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.854 -5.863 24.335 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.176 -5.817 25.484 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.504 -7.796 25.964 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.471 -9.204 24.876 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.161 -7.662 24.316 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.705 -4.447 23.483 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.824 -5.825 23.608 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.481 -5.872 22.441 1.00 0.00 H new ATOM 151 N ALA A 11 4.904 -10.290 22.562 1.00 0.00 N ATOM 152 CA ALA A 11 4.916 -11.777 22.460 1.00 0.00 C ATOM 153 C ALA A 11 5.025 -12.406 23.851 1.00 0.00 C ATOM 154 O ALA A 11 6.039 -12.300 24.512 1.00 0.00 O ATOM 155 CB ALA A 11 6.154 -12.106 21.624 1.00 0.00 C ATOM 0 H ALA A 11 5.795 -9.833 22.370 1.00 0.00 H new ATOM 0 HA ALA A 11 4.003 -12.166 22.009 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.235 -13.186 21.503 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.067 -11.636 20.644 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.044 -11.730 22.129 1.00 0.00 H new ATOM 161 N LEU A 12 3.995 -13.068 24.299 1.00 0.00 N ATOM 162 CA LEU A 12 4.053 -13.709 25.643 1.00 0.00 C ATOM 163 C LEU A 12 4.913 -14.972 25.573 1.00 0.00 C ATOM 164 O LEU A 12 5.441 -15.435 26.563 1.00 0.00 O ATOM 165 CB LEU A 12 2.603 -14.061 25.978 1.00 0.00 C ATOM 166 CG LEU A 12 2.526 -14.589 27.412 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.749 -13.435 28.392 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.146 -15.205 27.654 1.00 0.00 C ATOM 0 H LEU A 12 3.117 -13.193 23.794 1.00 0.00 H new ATOM 0 HA LEU A 12 4.494 -13.060 26.399 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.969 -13.181 25.868 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.229 -14.812 25.282 1.00 0.00 H new ATOM 0 HG LEU A 12 3.294 -15.347 27.563 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.694 -13.810 29.414 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.731 -12.995 28.219 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.980 -12.677 28.242 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.090 -15.582 28.675 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.378 -14.447 27.504 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.986 -16.026 26.955 1.00 0.00 H new ATOM 180 N HIS A 13 5.057 -15.527 24.401 1.00 0.00 N ATOM 181 CA HIS A 13 5.882 -16.759 24.247 1.00 0.00 C ATOM 182 C HIS A 13 6.467 -16.817 22.833 1.00 0.00 C ATOM 183 O HIS A 13 5.876 -16.330 21.891 1.00 0.00 O ATOM 184 CB HIS A 13 4.909 -17.914 24.471 1.00 0.00 C ATOM 185 CG HIS A 13 4.446 -17.911 25.901 1.00 0.00 C ATOM 186 ND1 HIS A 13 5.306 -18.162 26.958 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.214 -17.688 26.466 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.588 -18.085 28.094 1.00 0.00 C ATOM 189 NE2 HIS A 13 3.307 -17.799 27.851 1.00 0.00 N ATOM 0 H HIS A 13 4.637 -15.179 23.539 1.00 0.00 H new ATOM 0 HA HIS A 13 6.719 -16.792 24.944 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.055 -17.818 23.801 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.393 -18.862 24.237 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.311 -17.461 25.919 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.998 -18.236 29.082 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.557 -17.686 28.533 1.00 0.00 H new ATOM 197 N SER A 14 7.616 -17.409 22.671 1.00 0.00 N ATOM 198 CA SER A 14 8.222 -17.491 21.311 1.00 0.00 C ATOM 199 C SER A 14 7.390 -18.420 20.424 1.00 0.00 C ATOM 200 O SER A 14 6.894 -19.435 20.871 1.00 0.00 O ATOM 201 CB SER A 14 9.619 -18.069 21.532 1.00 0.00 C ATOM 202 OG SER A 14 10.366 -17.979 20.327 1.00 0.00 O ATOM 0 H SER A 14 8.162 -17.839 23.418 1.00 0.00 H new ATOM 0 HA SER A 14 8.259 -16.522 20.814 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.127 -17.525 22.329 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.547 -19.109 21.851 1.00 0.00 H new ATOM 0 HG SER A 14 9.804 -17.595 19.622 1.00 0.00 H new ATOM 208 N TYR A 15 7.236 -18.087 19.171 1.00 0.00 N ATOM 209 CA TYR A 15 6.437 -18.966 18.271 1.00 0.00 C ATOM 210 C TYR A 15 7.364 -19.863 17.447 1.00 0.00 C ATOM 211 O TYR A 15 8.536 -19.584 17.290 1.00 0.00 O ATOM 212 CB TYR A 15 5.662 -18.016 17.358 1.00 0.00 C ATOM 213 CG TYR A 15 4.833 -18.824 16.390 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.585 -19.318 16.786 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.314 -19.089 15.102 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.816 -20.075 15.893 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.545 -19.844 14.209 1.00 0.00 C ATOM 218 CZ TYR A 15 3.296 -20.338 14.605 1.00 0.00 C ATOM 219 OH TYR A 15 2.539 -21.084 13.725 1.00 0.00 O ATOM 0 H TYR A 15 7.625 -17.251 18.735 1.00 0.00 H new ATOM 0 HA TYR A 15 5.770 -19.623 18.830 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.019 -17.366 17.951 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.352 -17.371 16.814 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.215 -19.116 17.780 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.279 -18.711 14.798 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.853 -20.456 16.198 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.915 -20.046 13.215 1.00 0.00 H new ATOM 0 HH TYR A 15 1.606 -21.094 14.023 1.00 0.00 H new ATOM 229 N GLU A 16 6.847 -20.940 16.921 1.00 0.00 N ATOM 230 CA GLU A 16 7.698 -21.855 16.108 1.00 0.00 C ATOM 231 C GLU A 16 7.258 -21.822 14.643 1.00 0.00 C ATOM 232 O GLU A 16 6.092 -21.987 14.341 1.00 0.00 O ATOM 233 CB GLU A 16 7.471 -23.244 16.706 1.00 0.00 C ATOM 234 CG GLU A 16 8.400 -24.250 16.024 1.00 0.00 C ATOM 235 CD GLU A 16 7.563 -25.305 15.298 1.00 0.00 C ATOM 236 OE1 GLU A 16 6.422 -25.497 15.684 1.00 0.00 O ATOM 237 OE2 GLU A 16 8.077 -25.903 14.367 1.00 0.00 O ATOM 0 H GLU A 16 5.873 -21.226 17.019 1.00 0.00 H new ATOM 0 HA GLU A 16 8.750 -21.570 16.130 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.662 -23.226 17.779 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.432 -23.544 16.572 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.052 -23.738 15.317 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.044 -24.726 16.764 1.00 0.00 H new ATOM 244 N PRO A 17 8.212 -21.605 13.780 1.00 0.00 N ATOM 245 CA PRO A 17 7.880 -21.552 12.332 1.00 0.00 C ATOM 246 C PRO A 17 7.827 -22.964 11.741 1.00 0.00 C ATOM 247 O PRO A 17 8.776 -23.433 11.144 1.00 0.00 O ATOM 248 CB PRO A 17 9.025 -20.754 11.719 1.00 0.00 C ATOM 249 CG PRO A 17 10.169 -20.942 12.659 1.00 0.00 C ATOM 250 CD PRO A 17 9.581 -21.131 14.032 1.00 0.00 C ATOM 0 HA PRO A 17 6.906 -21.102 12.139 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.270 -21.117 10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.764 -19.700 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.766 -21.808 12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.832 -20.077 12.639 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.152 -21.855 14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.581 -20.199 14.596 1.00 0.00 H new ATOM 258 N SER A 18 6.725 -23.644 11.901 1.00 0.00 N ATOM 259 CA SER A 18 6.614 -25.023 11.345 1.00 0.00 C ATOM 260 C SER A 18 6.285 -24.964 9.851 1.00 0.00 C ATOM 261 O SER A 18 6.166 -25.977 9.191 1.00 0.00 O ATOM 262 CB SER A 18 5.468 -25.673 12.122 1.00 0.00 C ATOM 263 OG SER A 18 4.246 -25.033 11.785 1.00 0.00 O ATOM 0 H SER A 18 5.898 -23.305 12.392 1.00 0.00 H new ATOM 0 HA SER A 18 7.543 -25.585 11.444 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.411 -26.736 11.887 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.649 -25.593 13.194 1.00 0.00 H new ATOM 0 HG SER A 18 4.287 -24.716 10.858 1.00 0.00 H new ATOM 269 N HIS A 19 6.137 -23.784 9.313 1.00 0.00 N ATOM 270 CA HIS A 19 5.818 -23.659 7.861 1.00 0.00 C ATOM 271 C HIS A 19 6.488 -22.412 7.279 1.00 0.00 C ATOM 272 O HIS A 19 7.160 -21.675 7.973 1.00 0.00 O ATOM 273 CB HIS A 19 4.296 -23.526 7.800 1.00 0.00 C ATOM 274 CG HIS A 19 3.660 -24.694 8.502 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.825 -24.766 9.589 1.00 0.00 N flip ATOM 276 CD2 HIS A 19 3.860 -26.002 8.089 1.00 0.00 C flip ATOM 277 CE1 HIS A 19 2.510 -26.097 9.849 1.00 0.00 C flip ATOM 278 NE2 HIS A 19 3.160 -26.799 8.917 1.00 0.00 N flip ATOM 0 H HIS A 19 6.223 -22.901 9.816 1.00 0.00 H new ATOM 0 HA HIS A 19 6.176 -24.512 7.284 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.983 -22.593 8.268 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.965 -23.488 6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.467 -26.323 7.255 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.876 -26.480 10.635 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.129 -27.816 8.842 1.00 0.00 H new ATOM 286 N ASP A 20 6.309 -22.168 6.009 1.00 0.00 N ATOM 287 CA ASP A 20 6.936 -20.967 5.386 1.00 0.00 C ATOM 288 C ASP A 20 5.983 -19.772 5.471 1.00 0.00 C ATOM 289 O ASP A 20 4.836 -19.851 5.078 1.00 0.00 O ATOM 290 CB ASP A 20 7.179 -21.358 3.928 1.00 0.00 C ATOM 291 CG ASP A 20 7.996 -20.265 3.236 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.438 -19.360 3.925 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.166 -20.352 2.032 1.00 0.00 O ATOM 0 H ASP A 20 5.757 -22.747 5.377 1.00 0.00 H new ATOM 0 HA ASP A 20 7.859 -20.674 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.709 -22.309 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.228 -21.496 3.414 1.00 0.00 H new ATOM 298 N GLY A 21 6.448 -18.664 5.980 1.00 0.00 N ATOM 299 CA GLY A 21 5.568 -17.467 6.089 1.00 0.00 C ATOM 300 C GLY A 21 5.136 -17.277 7.546 1.00 0.00 C ATOM 301 O GLY A 21 4.458 -16.328 7.882 1.00 0.00 O ATOM 0 H GLY A 21 7.399 -18.536 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.097 -16.581 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.692 -17.588 5.452 1.00 0.00 H new ATOM 305 N ASP A 22 5.524 -18.174 8.413 1.00 0.00 N ATOM 306 CA ASP A 22 5.133 -18.043 9.846 1.00 0.00 C ATOM 307 C ASP A 22 6.184 -17.234 10.611 1.00 0.00 C ATOM 308 O ASP A 22 7.338 -17.180 10.233 1.00 0.00 O ATOM 309 CB ASP A 22 5.074 -19.477 10.372 1.00 0.00 C ATOM 310 CG ASP A 22 3.798 -20.154 9.866 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.010 -19.482 9.221 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.631 -21.332 10.133 1.00 0.00 O ATOM 0 H ASP A 22 6.094 -18.990 8.191 1.00 0.00 H new ATOM 0 HA ASP A 22 4.183 -17.523 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.950 -20.034 10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.091 -19.477 11.462 1.00 0.00 H new ATOM 317 N LEU A 23 5.795 -16.604 11.686 1.00 0.00 N ATOM 318 CA LEU A 23 6.771 -15.799 12.476 1.00 0.00 C ATOM 319 C LEU A 23 7.061 -16.489 13.814 1.00 0.00 C ATOM 320 O LEU A 23 6.195 -16.621 14.656 1.00 0.00 O ATOM 321 CB LEU A 23 6.080 -14.453 12.702 1.00 0.00 C ATOM 322 CG LEU A 23 7.086 -13.453 13.278 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.305 -13.369 12.358 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.431 -12.075 13.383 1.00 0.00 C ATOM 0 H LEU A 23 4.843 -16.612 12.052 1.00 0.00 H new ATOM 0 HA LEU A 23 7.727 -15.684 11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.675 -14.078 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.239 -14.574 13.385 1.00 0.00 H new ATOM 0 HG LEU A 23 7.400 -13.783 14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.022 -12.657 12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.772 -14.351 12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.991 -13.039 11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.147 -11.362 13.793 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.117 -11.745 12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.562 -12.134 14.038 1.00 0.00 H new ATOM 336 N GLY A 24 8.274 -16.932 14.013 1.00 0.00 N ATOM 337 CA GLY A 24 8.621 -17.617 15.291 1.00 0.00 C ATOM 338 C GLY A 24 9.252 -16.615 16.260 1.00 0.00 C ATOM 339 O GLY A 24 10.277 -16.877 16.857 1.00 0.00 O ATOM 0 H GLY A 24 9.040 -16.849 13.345 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.726 -18.053 15.735 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.313 -18.437 15.099 1.00 0.00 H new ATOM 343 N PHE A 25 8.654 -15.467 16.418 1.00 0.00 N ATOM 344 CA PHE A 25 9.218 -14.440 17.342 1.00 0.00 C ATOM 345 C PHE A 25 9.524 -15.042 18.718 1.00 0.00 C ATOM 346 O PHE A 25 9.220 -16.186 18.992 1.00 0.00 O ATOM 347 CB PHE A 25 8.121 -13.378 17.457 1.00 0.00 C ATOM 348 CG PHE A 25 6.831 -14.019 17.927 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.923 -14.536 16.994 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.544 -14.093 19.295 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.729 -15.127 17.429 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.350 -14.683 19.729 1.00 0.00 C ATOM 353 CZ PHE A 25 4.443 -15.199 18.796 1.00 0.00 C ATOM 0 H PHE A 25 7.793 -15.193 15.944 1.00 0.00 H new ATOM 0 HA PHE A 25 10.158 -14.033 16.970 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.427 -12.601 18.157 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.967 -12.895 16.492 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.143 -14.479 15.938 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.243 -13.695 20.016 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.030 -15.527 16.709 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.129 -14.740 20.785 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.522 -15.653 19.132 1.00 0.00 H new ATOM 363 N GLU A 26 10.127 -14.270 19.584 1.00 0.00 N ATOM 364 CA GLU A 26 10.461 -14.779 20.946 1.00 0.00 C ATOM 365 C GLU A 26 9.589 -14.086 21.999 1.00 0.00 C ATOM 366 O GLU A 26 8.798 -13.211 21.692 1.00 0.00 O ATOM 367 CB GLU A 26 11.932 -14.422 21.150 1.00 0.00 C ATOM 368 CG GLU A 26 12.755 -14.949 19.972 1.00 0.00 C ATOM 369 CD GLU A 26 14.203 -14.475 20.109 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.452 -13.629 20.951 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.039 -14.966 19.368 1.00 0.00 O ATOM 0 H GLU A 26 10.403 -13.305 19.405 1.00 0.00 H new ATOM 0 HA GLU A 26 10.283 -15.850 21.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.047 -13.341 21.232 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.296 -14.853 22.083 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.718 -16.038 19.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.332 -14.595 19.032 1.00 0.00 H new ATOM 378 N LYS A 27 9.734 -14.456 23.242 1.00 0.00 N ATOM 379 CA LYS A 27 8.917 -13.814 24.309 1.00 0.00 C ATOM 380 C LYS A 27 9.350 -12.360 24.504 1.00 0.00 C ATOM 381 O LYS A 27 10.522 -12.042 24.488 1.00 0.00 O ATOM 382 CB LYS A 27 9.200 -14.631 25.569 1.00 0.00 C ATOM 383 CG LYS A 27 9.113 -16.122 25.240 1.00 0.00 C ATOM 384 CD LYS A 27 8.683 -16.896 26.488 1.00 0.00 C ATOM 385 CE LYS A 27 9.876 -17.045 27.432 1.00 0.00 C ATOM 386 NZ LYS A 27 10.314 -18.461 27.274 1.00 0.00 N ATOM 0 H LYS A 27 10.382 -15.174 23.564 1.00 0.00 H new ATOM 0 HA LYS A 27 7.855 -13.798 24.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.190 -14.390 25.957 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.482 -14.377 26.349 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.399 -16.286 24.433 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.079 -16.485 24.889 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.870 -16.372 26.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.303 -17.878 26.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.676 -16.352 27.171 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.594 -16.831 28.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.131 -18.643 27.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.534 -19.097 27.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.583 -18.633 26.284 1.00 0.00 H new ATOM 400 N GLY A 28 8.410 -11.479 24.693 1.00 0.00 N ATOM 401 CA GLY A 28 8.761 -10.047 24.893 1.00 0.00 C ATOM 402 C GLY A 28 8.870 -9.353 23.536 1.00 0.00 C ATOM 403 O GLY A 28 8.859 -8.142 23.448 1.00 0.00 O ATOM 0 H GLY A 28 7.412 -11.689 24.718 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.002 -9.558 25.503 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.705 -9.965 25.432 1.00 0.00 H new ATOM 407 N GLU A 29 8.978 -10.105 22.473 1.00 0.00 N ATOM 408 CA GLU A 29 9.090 -9.463 21.132 1.00 0.00 C ATOM 409 C GLU A 29 7.787 -8.738 20.788 1.00 0.00 C ATOM 410 O GLU A 29 6.716 -9.314 20.819 1.00 0.00 O ATOM 411 CB GLU A 29 9.347 -10.608 20.153 1.00 0.00 C ATOM 412 CG GLU A 29 10.852 -10.886 20.078 1.00 0.00 C ATOM 413 CD GLU A 29 11.594 -9.596 19.722 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.237 -8.984 18.728 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.507 -9.242 20.449 1.00 0.00 O ATOM 0 H GLU A 29 8.993 -11.125 22.474 1.00 0.00 H new ATOM 0 HA GLU A 29 9.887 -8.721 21.096 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.816 -11.504 20.476 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.964 -10.350 19.166 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.209 -11.271 21.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.054 -11.652 19.330 1.00 0.00 H new ATOM 422 N GLN A 30 7.869 -7.477 20.466 1.00 0.00 N ATOM 423 CA GLN A 30 6.635 -6.712 20.127 1.00 0.00 C ATOM 424 C GLN A 30 6.206 -7.013 18.690 1.00 0.00 C ATOM 425 O GLN A 30 7.018 -7.080 17.789 1.00 0.00 O ATOM 426 CB GLN A 30 7.031 -5.242 20.275 1.00 0.00 C ATOM 427 CG GLN A 30 5.900 -4.353 19.753 1.00 0.00 C ATOM 428 CD GLN A 30 6.453 -2.963 19.431 1.00 0.00 C ATOM 429 OE1 GLN A 30 6.960 -2.733 18.351 1.00 0.00 O ATOM 430 NE2 GLN A 30 6.377 -2.020 20.329 1.00 0.00 N ATOM 0 H GLN A 30 8.737 -6.943 20.423 1.00 0.00 H new ATOM 0 HA GLN A 30 5.794 -6.974 20.769 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.235 -5.013 21.321 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.949 -5.044 19.721 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.457 -4.796 18.861 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.108 -4.278 20.498 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.951 -2.212 21.236 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.743 -1.090 20.124 1.00 0.00 H new ATOM 439 N LEU A 31 4.933 -7.192 18.470 1.00 0.00 N ATOM 440 CA LEU A 31 4.450 -7.487 17.091 1.00 0.00 C ATOM 441 C LEU A 31 3.174 -6.695 16.797 1.00 0.00 C ATOM 442 O LEU A 31 2.484 -6.253 17.695 1.00 0.00 O ATOM 443 CB LEU A 31 4.153 -8.987 17.083 1.00 0.00 C ATOM 444 CG LEU A 31 5.412 -9.765 17.472 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.039 -11.220 17.766 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.416 -9.721 16.319 1.00 0.00 C ATOM 0 H LEU A 31 4.206 -7.147 19.185 1.00 0.00 H new ATOM 0 HA LEU A 31 5.183 -7.211 16.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.346 -9.211 17.780 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.815 -9.295 16.094 1.00 0.00 H new ATOM 0 HG LEU A 31 5.858 -9.315 18.359 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.934 -11.776 18.043 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.322 -11.253 18.587 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.594 -11.668 16.878 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.313 -10.275 16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.971 -10.171 15.432 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.681 -8.685 16.106 1.00 0.00 H new ATOM 458 N ARG A 32 2.852 -6.520 15.546 1.00 0.00 N ATOM 459 CA ARG A 32 1.617 -5.766 15.191 1.00 0.00 C ATOM 460 C ARG A 32 0.562 -6.734 14.646 1.00 0.00 C ATOM 461 O ARG A 32 0.862 -7.598 13.851 1.00 0.00 O ATOM 462 CB ARG A 32 2.054 -4.775 14.111 1.00 0.00 C ATOM 463 CG ARG A 32 0.826 -4.258 13.359 1.00 0.00 C ATOM 464 CD ARG A 32 1.234 -3.092 12.456 1.00 0.00 C ATOM 465 NE ARG A 32 2.016 -3.718 11.353 1.00 0.00 N ATOM 466 CZ ARG A 32 2.742 -2.974 10.564 1.00 0.00 C ATOM 467 NH1 ARG A 32 4.032 -2.897 10.746 1.00 0.00 N ATOM 468 NH2 ARG A 32 2.178 -2.306 9.596 1.00 0.00 N ATOM 0 H ARG A 32 3.391 -6.867 14.753 1.00 0.00 H new ATOM 0 HA ARG A 32 1.174 -5.257 16.047 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.592 -3.942 14.564 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.741 -5.259 13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.388 -5.058 12.762 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.063 -3.934 14.067 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.361 -2.565 12.072 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.833 -2.362 13.000 1.00 0.00 H new ATOM 0 HE ARG A 32 1.984 -4.728 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.472 -3.418 11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.600 -2.316 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.169 -2.365 9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.746 -1.725 8.979 1.00 0.00 H new ATOM 482 N ILE A 33 -0.666 -6.602 15.069 1.00 0.00 N ATOM 483 CA ILE A 33 -1.726 -7.527 14.571 1.00 0.00 C ATOM 484 C ILE A 33 -2.485 -6.891 13.403 1.00 0.00 C ATOM 485 O ILE A 33 -3.441 -6.165 13.592 1.00 0.00 O ATOM 486 CB ILE A 33 -2.658 -7.740 15.764 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.846 -8.220 16.969 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.710 -8.792 15.407 1.00 0.00 C ATOM 489 CD1 ILE A 33 -1.026 -9.450 16.574 1.00 0.00 C ATOM 0 H ILE A 33 -0.981 -5.897 15.735 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.312 -8.466 14.203 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.152 -6.800 16.011 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.185 -7.425 17.316 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.512 -8.464 17.796 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.375 -8.945 16.257 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.290 -8.450 14.549 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.216 -9.732 15.160 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.447 -9.792 17.432 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.697 -10.245 16.248 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.349 -9.190 15.760 1.00 0.00 H new ATOM 501 N LEU A 34 -2.059 -7.149 12.195 1.00 0.00 N ATOM 502 CA LEU A 34 -2.750 -6.551 11.016 1.00 0.00 C ATOM 503 C LEU A 34 -4.027 -7.328 10.683 1.00 0.00 C ATOM 504 O LEU A 34 -4.946 -6.799 10.091 1.00 0.00 O ATOM 505 CB LEU A 34 -1.742 -6.661 9.872 1.00 0.00 C ATOM 506 CG LEU A 34 -0.491 -5.850 10.216 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.697 -6.377 9.409 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.726 -4.377 9.875 1.00 0.00 C ATOM 0 H LEU A 34 -1.263 -7.747 11.974 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.054 -5.521 11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.477 -7.705 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.184 -6.293 8.946 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.278 -5.946 11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.588 -5.799 9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.866 -7.426 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.484 -6.282 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.166 -3.800 10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.940 -4.280 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.572 -4.001 10.451 1.00 0.00 H new ATOM 520 N GLU A 35 -4.097 -8.579 11.052 1.00 0.00 N ATOM 521 CA GLU A 35 -5.322 -9.372 10.746 1.00 0.00 C ATOM 522 C GLU A 35 -5.735 -10.205 11.961 1.00 0.00 C ATOM 523 O GLU A 35 -4.917 -10.840 12.598 1.00 0.00 O ATOM 524 CB GLU A 35 -4.926 -10.279 9.580 1.00 0.00 C ATOM 525 CG GLU A 35 -6.152 -11.058 9.101 1.00 0.00 C ATOM 526 CD GLU A 35 -7.138 -10.098 8.432 1.00 0.00 C ATOM 527 OE1 GLU A 35 -6.689 -9.093 7.905 1.00 0.00 O ATOM 528 OE2 GLU A 35 -8.324 -10.383 8.460 1.00 0.00 O ATOM 0 H GLU A 35 -3.363 -9.084 11.549 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.172 -8.737 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.519 -9.683 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.142 -10.969 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.851 -11.835 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.630 -11.558 9.943 1.00 0.00 H new ATOM 535 N GLN A 36 -6.998 -10.207 12.286 1.00 0.00 N ATOM 536 CA GLN A 36 -7.465 -10.998 13.460 1.00 0.00 C ATOM 537 C GLN A 36 -8.654 -11.878 13.064 1.00 0.00 C ATOM 538 O GLN A 36 -9.706 -11.825 13.668 1.00 0.00 O ATOM 539 CB GLN A 36 -7.891 -9.957 14.497 1.00 0.00 C ATOM 540 CG GLN A 36 -6.714 -9.026 14.796 1.00 0.00 C ATOM 541 CD GLN A 36 -7.220 -7.793 15.548 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.394 -7.483 15.511 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.376 -7.071 16.233 1.00 0.00 N ATOM 0 H GLN A 36 -7.727 -9.695 11.790 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.691 -11.662 13.844 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.738 -9.382 14.124 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.219 -10.451 15.411 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.966 -9.548 15.393 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.229 -8.726 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.390 -7.331 16.264 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.702 -6.247 16.737 1.00 0.00 H new ATOM 552 N SER A 37 -8.493 -12.686 12.052 1.00 0.00 N ATOM 553 CA SER A 37 -9.613 -13.567 11.616 1.00 0.00 C ATOM 554 C SER A 37 -9.244 -15.037 11.833 1.00 0.00 C ATOM 555 O SER A 37 -8.084 -15.401 11.844 1.00 0.00 O ATOM 556 CB SER A 37 -9.792 -13.274 10.127 1.00 0.00 C ATOM 557 OG SER A 37 -10.155 -11.913 9.952 1.00 0.00 O ATOM 0 H SER A 37 -7.634 -12.774 11.508 1.00 0.00 H new ATOM 0 HA SER A 37 -10.527 -13.382 12.180 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.868 -13.487 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.561 -13.923 9.708 1.00 0.00 H new ATOM 0 HG SER A 37 -9.466 -11.456 9.426 1.00 0.00 H new ATOM 563 N GLY A 38 -10.221 -15.885 12.007 1.00 0.00 N ATOM 564 CA GLY A 38 -9.924 -17.328 12.224 1.00 0.00 C ATOM 565 C GLY A 38 -9.114 -17.491 13.512 1.00 0.00 C ATOM 566 O GLY A 38 -8.910 -16.549 14.251 1.00 0.00 O ATOM 0 H GLY A 38 -11.211 -15.640 12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.852 -17.896 12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.366 -17.727 11.377 1.00 0.00 H new ATOM 570 N GLU A 39 -8.651 -18.679 13.786 1.00 0.00 N ATOM 571 CA GLU A 39 -7.854 -18.900 15.027 1.00 0.00 C ATOM 572 C GLU A 39 -6.469 -18.265 14.885 1.00 0.00 C ATOM 573 O GLU A 39 -5.881 -17.812 15.849 1.00 0.00 O ATOM 574 CB GLU A 39 -7.738 -20.419 15.159 1.00 0.00 C ATOM 575 CG GLU A 39 -9.136 -21.040 15.168 1.00 0.00 C ATOM 576 CD GLU A 39 -9.017 -22.560 15.279 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.926 -23.066 15.074 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.018 -23.194 15.569 1.00 0.00 O ATOM 0 H GLU A 39 -8.789 -19.506 13.205 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.321 -18.450 15.903 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.155 -20.823 14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.209 -20.675 16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.715 -20.648 16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.671 -20.772 14.257 1.00 0.00 H new ATOM 585 N TRP A 40 -5.940 -18.233 13.693 1.00 0.00 N ATOM 586 CA TRP A 40 -4.590 -17.630 13.492 1.00 0.00 C ATOM 587 C TRP A 40 -4.720 -16.187 12.998 1.00 0.00 C ATOM 588 O TRP A 40 -5.596 -15.863 12.220 1.00 0.00 O ATOM 589 CB TRP A 40 -3.925 -18.502 12.426 1.00 0.00 C ATOM 590 CG TRP A 40 -3.527 -19.810 13.029 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.227 -20.962 12.917 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.353 -20.121 13.833 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.557 -21.960 13.601 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.396 -21.491 14.183 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.266 -19.353 14.288 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.395 -22.079 14.957 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.257 -19.942 15.067 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.321 -21.302 15.401 1.00 0.00 C ATOM 0 H TRP A 40 -6.383 -18.598 12.850 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.011 -17.597 14.415 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.611 -18.666 11.595 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.049 -17.995 12.021 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.157 -21.083 12.381 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.881 -22.925 13.667 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.207 -18.304 14.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.450 -23.127 15.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.574 -19.343 15.411 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.458 -21.749 16.000 1.00 0.00 H new ATOM 609 N TRP A 41 -3.851 -15.321 13.441 1.00 0.00 N ATOM 610 CA TRP A 41 -3.917 -13.898 12.998 1.00 0.00 C ATOM 611 C TRP A 41 -2.616 -13.505 12.294 1.00 0.00 C ATOM 612 O TRP A 41 -1.572 -14.079 12.531 1.00 0.00 O ATOM 613 CB TRP A 41 -4.092 -13.091 14.285 1.00 0.00 C ATOM 614 CG TRP A 41 -5.444 -13.356 14.868 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.486 -13.904 14.200 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.917 -13.093 16.220 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.568 -13.996 15.059 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.266 -13.508 16.315 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.312 -12.540 17.364 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.989 -13.381 17.502 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.037 -12.410 18.559 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.373 -12.829 18.628 1.00 0.00 C ATOM 0 H TRP A 41 -3.096 -15.537 14.092 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.728 -13.722 12.292 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.317 -13.361 15.003 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.978 -12.027 14.077 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.475 -14.218 13.167 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.477 -14.377 14.796 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.283 -12.214 17.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.017 -13.707 17.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.562 -11.984 19.431 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.925 -12.725 19.550 1.00 0.00 H new ATOM 633 N LYS A 42 -2.669 -12.520 11.440 1.00 0.00 N ATOM 634 CA LYS A 42 -1.434 -12.079 10.732 1.00 0.00 C ATOM 635 C LYS A 42 -0.827 -10.883 11.468 1.00 0.00 C ATOM 636 O LYS A 42 -1.534 -10.023 11.955 1.00 0.00 O ATOM 637 CB LYS A 42 -1.901 -11.671 9.334 1.00 0.00 C ATOM 638 CG LYS A 42 -0.705 -11.660 8.380 1.00 0.00 C ATOM 639 CD LYS A 42 -1.152 -11.149 7.009 1.00 0.00 C ATOM 640 CE LYS A 42 0.014 -11.245 6.023 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.257 -10.188 5.007 1.00 0.00 N ATOM 0 H LYS A 42 -3.514 -12.001 11.202 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.672 -12.857 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.660 -12.366 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.363 -10.684 9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.085 -11.023 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.290 -12.664 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.997 -11.736 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.492 -10.116 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.969 -11.078 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.063 -12.232 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.034 -10.552 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.260 -9.918 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.334 -9.356 5.206 1.00 0.00 H new ATOM 655 N ALA A 43 0.470 -10.819 11.561 1.00 0.00 N ATOM 656 CA ALA A 43 1.094 -9.674 12.278 1.00 0.00 C ATOM 657 C ALA A 43 2.470 -9.352 11.694 1.00 0.00 C ATOM 658 O ALA A 43 2.976 -10.050 10.837 1.00 0.00 O ATOM 659 CB ALA A 43 1.225 -10.141 13.728 1.00 0.00 C ATOM 0 H ALA A 43 1.121 -11.503 11.175 1.00 0.00 H new ATOM 0 HA ALA A 43 0.499 -8.765 12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.679 -9.350 14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.237 -10.375 14.126 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.853 -11.031 13.768 1.00 0.00 H new ATOM 665 N GLN A 44 3.080 -8.298 12.161 1.00 0.00 N ATOM 666 CA GLN A 44 4.426 -7.920 11.647 1.00 0.00 C ATOM 667 C GLN A 44 5.297 -7.413 12.800 1.00 0.00 C ATOM 668 O GLN A 44 4.806 -6.849 13.757 1.00 0.00 O ATOM 669 CB GLN A 44 4.166 -6.804 10.637 1.00 0.00 C ATOM 670 CG GLN A 44 5.464 -6.471 9.898 1.00 0.00 C ATOM 671 CD GLN A 44 5.210 -5.327 8.915 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.078 -4.953 8.679 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.222 -4.750 8.327 1.00 0.00 N ATOM 0 H GLN A 44 2.703 -7.680 12.879 1.00 0.00 H new ATOM 0 HA GLN A 44 4.951 -8.760 11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.400 -7.114 9.926 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.788 -5.918 11.147 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.239 -6.188 10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.827 -7.349 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.173 -5.063 8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.062 -3.986 7.670 1.00 0.00 H new ATOM 682 N SER A 45 6.583 -7.608 12.718 1.00 0.00 N ATOM 683 CA SER A 45 7.476 -7.135 13.815 1.00 0.00 C ATOM 684 C SER A 45 8.049 -5.759 13.472 1.00 0.00 C ATOM 685 O SER A 45 8.843 -5.616 12.563 1.00 0.00 O ATOM 686 CB SER A 45 8.591 -8.178 13.898 1.00 0.00 C ATOM 687 OG SER A 45 9.270 -8.046 15.139 1.00 0.00 O ATOM 0 H SER A 45 7.055 -8.073 11.942 1.00 0.00 H new ATOM 0 HA SER A 45 6.947 -7.031 14.763 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.174 -9.181 13.804 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.290 -8.045 13.072 1.00 0.00 H new ATOM 0 HG SER A 45 9.984 -8.715 15.194 1.00 0.00 H new ATOM 693 N LEU A 46 7.652 -4.744 14.191 1.00 0.00 N ATOM 694 CA LEU A 46 8.174 -3.376 13.904 1.00 0.00 C ATOM 695 C LEU A 46 9.640 -3.262 14.335 1.00 0.00 C ATOM 696 O LEU A 46 10.269 -2.239 14.157 1.00 0.00 O ATOM 697 CB LEU A 46 7.297 -2.441 14.736 1.00 0.00 C ATOM 698 CG LEU A 46 7.590 -0.989 14.352 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.953 -0.681 12.995 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.007 -0.053 15.413 1.00 0.00 C ATOM 0 H LEU A 46 6.989 -4.802 14.964 1.00 0.00 H new ATOM 0 HA LEU A 46 8.140 -3.135 12.841 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.244 -2.667 14.568 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.490 -2.593 15.798 1.00 0.00 H new ATOM 0 HG LEU A 46 8.668 -0.841 14.289 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.162 0.353 12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.368 -1.347 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.875 -0.829 13.057 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.216 0.981 15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.929 -0.201 15.476 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.461 -0.271 16.380 1.00 0.00 H new ATOM 712 N THR A 47 10.188 -4.304 14.897 1.00 0.00 N ATOM 713 CA THR A 47 11.613 -4.249 15.334 1.00 0.00 C ATOM 714 C THR A 47 12.532 -4.674 14.186 1.00 0.00 C ATOM 715 O THR A 47 13.663 -4.241 14.090 1.00 0.00 O ATOM 716 CB THR A 47 11.711 -5.241 16.494 1.00 0.00 C ATOM 717 OG1 THR A 47 10.722 -4.930 17.465 1.00 0.00 O ATOM 718 CG2 THR A 47 13.099 -5.151 17.128 1.00 0.00 C ATOM 0 H THR A 47 9.713 -5.189 15.073 1.00 0.00 H new ATOM 0 HA THR A 47 11.916 -3.245 15.631 1.00 0.00 H new ATOM 0 HB THR A 47 11.550 -6.253 16.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.782 -5.566 18.208 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.168 -5.858 17.955 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.856 -5.390 16.381 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.264 -4.140 17.501 1.00 0.00 H new ATOM 726 N THR A 48 12.055 -5.518 13.314 1.00 0.00 N ATOM 727 CA THR A 48 12.900 -5.971 12.172 1.00 0.00 C ATOM 728 C THR A 48 12.164 -5.744 10.848 1.00 0.00 C ATOM 729 O THR A 48 12.711 -5.938 9.781 1.00 0.00 O ATOM 730 CB THR A 48 13.124 -7.465 12.412 1.00 0.00 C ATOM 731 OG1 THR A 48 11.868 -8.127 12.469 1.00 0.00 O ATOM 732 CG2 THR A 48 13.870 -7.665 13.732 1.00 0.00 C ATOM 0 H THR A 48 11.116 -5.914 13.342 1.00 0.00 H new ATOM 0 HA THR A 48 13.840 -5.423 12.111 1.00 0.00 H new ATOM 0 HB THR A 48 13.717 -7.880 11.597 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.010 -9.085 12.621 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.029 -8.730 13.902 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.833 -7.157 13.686 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.280 -7.251 14.550 1.00 0.00 H new ATOM 740 N GLY A 49 10.927 -5.333 10.910 1.00 0.00 N ATOM 741 CA GLY A 49 10.158 -5.093 9.658 1.00 0.00 C ATOM 742 C GLY A 49 9.813 -6.434 9.006 1.00 0.00 C ATOM 743 O GLY A 49 9.811 -6.566 7.798 1.00 0.00 O ATOM 0 H GLY A 49 10.416 -5.153 11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.246 -4.539 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.743 -4.482 8.971 1.00 0.00 H new ATOM 747 N GLN A 50 9.522 -7.431 9.796 1.00 0.00 N ATOM 748 CA GLN A 50 9.179 -8.764 9.220 1.00 0.00 C ATOM 749 C GLN A 50 7.690 -9.062 9.424 1.00 0.00 C ATOM 750 O GLN A 50 7.105 -8.696 10.425 1.00 0.00 O ATOM 751 CB GLN A 50 10.036 -9.763 9.997 1.00 0.00 C ATOM 752 CG GLN A 50 11.337 -10.022 9.235 1.00 0.00 C ATOM 753 CD GLN A 50 12.231 -10.953 10.057 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.905 -11.294 11.178 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.352 -11.381 9.546 1.00 0.00 N ATOM 0 H GLN A 50 9.507 -7.381 10.815 1.00 0.00 H new ATOM 0 HA GLN A 50 9.368 -8.811 8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.256 -9.374 10.991 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.491 -10.697 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.120 -10.470 8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.852 -9.081 9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.626 -11.095 8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.955 -12.001 10.086 1.00 0.00 H new ATOM 764 N GLU A 51 7.074 -9.727 8.484 1.00 0.00 N ATOM 765 CA GLU A 51 5.625 -10.052 8.625 1.00 0.00 C ATOM 766 C GLU A 51 5.427 -11.569 8.638 1.00 0.00 C ATOM 767 O GLU A 51 6.052 -12.292 7.888 1.00 0.00 O ATOM 768 CB GLU A 51 4.959 -9.434 7.396 1.00 0.00 C ATOM 769 CG GLU A 51 3.443 -9.618 7.490 1.00 0.00 C ATOM 770 CD GLU A 51 2.786 -9.092 6.213 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.512 -8.721 5.305 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.567 -9.068 6.165 1.00 0.00 O ATOM 0 H GLU A 51 7.511 -10.059 7.625 1.00 0.00 H new ATOM 0 HA GLU A 51 5.202 -9.667 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.204 -8.374 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.338 -9.905 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.202 -10.672 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.054 -9.085 8.358 1.00 0.00 H new ATOM 779 N GLY A 52 4.563 -12.061 9.484 1.00 0.00 N ATOM 780 CA GLY A 52 4.331 -13.532 9.540 1.00 0.00 C ATOM 781 C GLY A 52 3.069 -13.821 10.354 1.00 0.00 C ATOM 782 O GLY A 52 2.635 -13.014 11.154 1.00 0.00 O ATOM 0 H GLY A 52 4.009 -11.508 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.225 -13.932 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.189 -14.029 9.992 1.00 0.00 H new ATOM 786 N PHE A 53 2.474 -14.964 10.155 1.00 0.00 N ATOM 787 CA PHE A 53 1.240 -15.304 10.919 1.00 0.00 C ATOM 788 C PHE A 53 1.590 -15.615 12.376 1.00 0.00 C ATOM 789 O PHE A 53 2.618 -16.193 12.668 1.00 0.00 O ATOM 790 CB PHE A 53 0.676 -16.546 10.225 1.00 0.00 C ATOM 791 CG PHE A 53 0.406 -16.232 8.773 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.759 -15.546 8.410 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.322 -16.626 7.790 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.009 -15.254 7.063 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.072 -16.334 6.444 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.093 -15.648 6.081 1.00 0.00 C ATOM 0 H PHE A 53 2.788 -15.677 9.497 1.00 0.00 H new ATOM 0 HA PHE A 53 0.522 -14.484 10.934 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.382 -17.372 10.304 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.243 -16.864 10.716 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.465 -15.242 9.169 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.221 -17.155 8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.908 -14.725 6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.778 -16.638 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.285 -15.423 5.042 1.00 0.00 H new ATOM 806 N ILE A 54 0.744 -15.236 13.293 1.00 0.00 N ATOM 807 CA ILE A 54 1.033 -15.509 14.730 1.00 0.00 C ATOM 808 C ILE A 54 -0.234 -15.993 15.442 1.00 0.00 C ATOM 809 O ILE A 54 -1.326 -15.563 15.131 1.00 0.00 O ATOM 810 CB ILE A 54 1.494 -14.169 15.304 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.341 -13.164 15.254 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.667 -13.639 14.475 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.036 -12.670 16.670 1.00 0.00 C ATOM 0 H ILE A 54 -0.134 -14.750 13.111 1.00 0.00 H new ATOM 0 HA ILE A 54 1.786 -16.287 14.859 1.00 0.00 H new ATOM 0 HB ILE A 54 1.809 -14.307 16.338 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.604 -12.323 14.612 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.544 -13.630 14.821 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.998 -12.683 14.882 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.490 -14.353 14.511 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.350 -13.503 13.441 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.785 -11.954 16.637 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.245 -13.516 17.298 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.921 -12.188 17.086 1.00 0.00 H new ATOM 825 N PRO A 55 -0.039 -16.878 16.381 1.00 0.00 N ATOM 826 CA PRO A 55 -1.208 -17.406 17.129 1.00 0.00 C ATOM 827 C PRO A 55 -1.797 -16.315 18.025 1.00 0.00 C ATOM 828 O PRO A 55 -1.099 -15.439 18.497 1.00 0.00 O ATOM 829 CB PRO A 55 -0.634 -18.547 17.960 1.00 0.00 C ATOM 830 CG PRO A 55 0.812 -18.216 18.120 1.00 0.00 C ATOM 831 CD PRO A 55 1.222 -17.418 16.910 1.00 0.00 C ATOM 0 HA PRO A 55 -2.017 -17.738 16.478 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.132 -18.621 18.927 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.767 -19.506 17.459 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.977 -17.643 19.033 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.408 -19.125 18.202 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.915 -16.620 17.177 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.726 -18.044 16.174 1.00 0.00 H new ATOM 839 N PHE A 56 -3.079 -16.356 18.253 1.00 0.00 N ATOM 840 CA PHE A 56 -3.720 -15.317 19.109 1.00 0.00 C ATOM 841 C PHE A 56 -3.403 -15.554 20.589 1.00 0.00 C ATOM 842 O PHE A 56 -3.770 -14.769 21.441 1.00 0.00 O ATOM 843 CB PHE A 56 -5.220 -15.473 18.855 1.00 0.00 C ATOM 844 CG PHE A 56 -5.715 -16.735 19.520 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.646 -17.958 18.842 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.244 -16.682 20.816 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.104 -19.128 19.460 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.703 -17.851 21.433 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.634 -19.074 20.756 1.00 0.00 C ATOM 0 H PHE A 56 -3.713 -17.065 17.884 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.359 -14.316 18.872 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.757 -14.609 19.245 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.416 -15.513 17.784 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.239 -17.999 17.842 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.298 -15.739 21.339 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.049 -20.072 18.938 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.111 -17.810 22.432 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.989 -19.976 21.232 1.00 0.00 H new ATOM 859 N ASN A 57 -2.735 -16.628 20.911 1.00 0.00 N ATOM 860 CA ASN A 57 -2.418 -16.901 22.344 1.00 0.00 C ATOM 861 C ASN A 57 -1.007 -16.411 22.697 1.00 0.00 C ATOM 862 O ASN A 57 -0.716 -16.117 23.840 1.00 0.00 O ATOM 863 CB ASN A 57 -2.504 -18.419 22.484 1.00 0.00 C ATOM 864 CG ASN A 57 -2.241 -18.812 23.940 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.117 -19.086 24.313 1.00 0.00 O ATOM 866 ND2 ASN A 57 -3.237 -18.850 24.782 1.00 0.00 N ATOM 0 H ASN A 57 -2.396 -17.326 20.249 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.103 -16.383 23.016 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.489 -18.768 22.174 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.775 -18.897 21.830 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.073 -19.110 25.755 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.180 -18.620 24.468 1.00 0.00 H new ATOM 873 N PHE A 58 -0.130 -16.324 21.736 1.00 0.00 N ATOM 874 CA PHE A 58 1.256 -15.857 22.040 1.00 0.00 C ATOM 875 C PHE A 58 1.306 -14.327 22.070 1.00 0.00 C ATOM 876 O PHE A 58 2.332 -13.735 22.339 1.00 0.00 O ATOM 877 CB PHE A 58 2.125 -16.398 20.905 1.00 0.00 C ATOM 878 CG PHE A 58 2.309 -17.889 21.074 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.198 -18.740 21.056 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.594 -18.417 21.252 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.372 -20.121 21.216 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.767 -19.798 21.411 1.00 0.00 C ATOM 883 CZ PHE A 58 2.656 -20.649 21.393 1.00 0.00 C ATOM 0 H PHE A 58 -0.309 -16.554 20.758 1.00 0.00 H new ATOM 0 HA PHE A 58 1.599 -16.207 23.014 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.658 -16.186 19.943 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.094 -15.899 20.906 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.207 -18.332 20.919 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.451 -17.760 21.267 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.515 -20.778 21.203 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.758 -20.206 21.547 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.790 -21.714 21.516 1.00 0.00 H new ATOM 893 N VAL A 59 0.206 -13.683 21.797 1.00 0.00 N ATOM 894 CA VAL A 59 0.194 -12.193 21.812 1.00 0.00 C ATOM 895 C VAL A 59 -1.063 -11.685 22.522 1.00 0.00 C ATOM 896 O VAL A 59 -2.125 -12.265 22.417 1.00 0.00 O ATOM 897 CB VAL A 59 0.182 -11.781 20.340 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.432 -12.330 19.648 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.066 -12.348 19.662 1.00 0.00 C ATOM 0 H VAL A 59 -0.684 -14.123 21.564 1.00 0.00 H new ATOM 0 HA VAL A 59 1.050 -11.777 22.343 1.00 0.00 H new ATOM 0 HB VAL A 59 0.173 -10.694 20.267 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.425 -12.037 18.598 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.322 -11.927 20.131 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.440 -13.418 19.721 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.075 -12.054 18.612 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.057 -13.436 19.735 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.957 -11.959 20.155 1.00 0.00 H new ATOM 909 N ALA A 60 -0.953 -10.604 23.245 1.00 0.00 N ATOM 910 CA ALA A 60 -2.143 -10.061 23.961 1.00 0.00 C ATOM 911 C ALA A 60 -2.225 -8.545 23.777 1.00 0.00 C ATOM 912 O ALA A 60 -1.226 -7.875 23.603 1.00 0.00 O ATOM 913 CB ALA A 60 -1.915 -10.414 25.430 1.00 0.00 C ATOM 0 H ALA A 60 -0.091 -10.073 23.371 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.078 -10.475 23.583 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.751 -10.047 26.026 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.840 -11.496 25.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.991 -9.951 25.776 1.00 0.00 H new ATOM 919 N LYS A 61 -3.409 -7.996 23.816 1.00 0.00 N ATOM 920 CA LYS A 61 -3.553 -6.522 23.644 1.00 0.00 C ATOM 921 C LYS A 61 -2.837 -5.784 24.778 1.00 0.00 C ATOM 922 O LYS A 61 -3.052 -6.056 25.942 1.00 0.00 O ATOM 923 CB LYS A 61 -5.058 -6.263 23.703 1.00 0.00 C ATOM 924 CG LYS A 61 -5.345 -4.823 23.274 1.00 0.00 C ATOM 925 CD LYS A 61 -6.851 -4.559 23.347 1.00 0.00 C ATOM 926 CE LYS A 61 -7.152 -3.170 22.783 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.363 -3.387 21.323 1.00 0.00 N ATOM 0 H LYS A 61 -4.282 -8.504 23.959 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.114 -6.170 22.710 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.584 -6.960 23.050 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.428 -6.433 24.714 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.811 -4.126 23.921 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.985 -4.656 22.259 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.392 -5.318 22.782 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.193 -4.626 24.380 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.037 -2.737 23.250 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.326 -2.482 22.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.575 -2.478 20.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.502 -3.794 20.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.159 -4.041 21.181 1.00 0.00 H new ATOM 941 N ALA A 62 -1.986 -4.852 24.447 1.00 0.00 N ATOM 942 CA ALA A 62 -1.256 -4.098 25.506 1.00 0.00 C ATOM 943 C ALA A 62 -2.247 -3.321 26.379 1.00 0.00 C ATOM 944 O ALA A 62 -2.023 -3.115 27.556 1.00 0.00 O ATOM 945 CB ALA A 62 -0.340 -3.136 24.750 1.00 0.00 C ATOM 0 H ALA A 62 -1.764 -4.580 23.489 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.695 -4.757 26.169 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.233 -2.543 25.463 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.343 -3.704 24.119 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.942 -2.473 24.128 1.00 0.00 H new ATOM 951 N ASN A 63 -3.339 -2.888 25.812 1.00 0.00 N ATOM 952 CA ASN A 63 -4.342 -2.126 26.610 1.00 0.00 C ATOM 953 C ASN A 63 -5.659 -2.903 26.686 1.00 0.00 C ATOM 954 O ASN A 63 -5.645 -4.085 26.389 1.00 0.00 O ATOM 955 CB ASN A 63 -4.536 -0.813 25.850 1.00 0.00 C ATOM 956 CG ASN A 63 -3.170 -0.209 25.518 1.00 0.00 C ATOM 957 OD1 ASN A 63 -2.953 0.262 24.419 1.00 0.00 O ATOM 958 ND2 ASN A 63 -2.235 -0.203 26.427 1.00 0.00 N ATOM 959 OXT ASN A 63 -6.659 -2.301 27.041 1.00 0.00 O ATOM 0 H ASN A 63 -3.581 -3.028 24.831 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.014 -1.959 27.636 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.099 -0.991 24.934 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.118 -0.115 26.452 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.321 0.197 26.216 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.418 -0.598 27.349 1.00 0.00 H new TER 966 ASN A 63