USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot -99:sc= 0.468 USER MOD Single : A -4 GLY N :NH3+ -127:sc= -0.859 (180deg=-2.83!) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.161) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 79 MET CE :methyl -159:sc= -0.0747 (180deg=-0.753) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 84 GLN : amide:sc=-0.00944 K(o=-0.0094,f=-1.7!) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -0.0435 (180deg=-0.501) USER MOD Single : A 91 MET CE :methyl -169:sc= -0.276 (180deg=-0.465) USER MOD Single : A 92 SER OG : rot -37:sc= 0.598 USER MOD Single : A 94 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.6!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.00029) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -34:sc= 0.808 USER MOD Single : A 119 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.4!) USER MOD Single : A 120 SER OG : rot -79:sc= 0.111 USER MOD Single : A 121 CYS SG : rot -14:sc= -0.0213 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -13:sc= 0.611 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 1.181 -8.787 8.188 1.00 0.00 N ATOM 2 CA GLY A -4 -0.038 -7.934 8.087 1.00 0.00 C ATOM 3 C GLY A -4 -0.789 -8.270 6.804 1.00 0.00 C ATOM 4 O GLY A -4 -0.816 -7.479 5.863 1.00 0.00 O ATOM 0 H1 GLY A -4 1.190 -9.272 9.108 1.00 0.00 H new ATOM 0 H2 GLY A -4 1.175 -9.493 7.424 1.00 0.00 H new ATOM 0 H3 GLY A -4 2.029 -8.192 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -0.682 -8.098 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A -4 0.241 -6.880 8.092 1.00 0.00 H new ATOM 10 N PRO A -3 -1.394 -9.428 6.751 1.00 0.00 N ATOM 11 CA PRO A -3 -2.166 -9.883 5.554 1.00 0.00 C ATOM 12 C PRO A -3 -3.250 -8.877 5.157 1.00 0.00 C ATOM 13 O PRO A -3 -3.540 -8.691 3.976 1.00 0.00 O ATOM 14 CB PRO A -3 -2.794 -11.217 6.012 1.00 0.00 C ATOM 15 CG PRO A -3 -1.921 -11.690 7.130 1.00 0.00 C ATOM 16 CD PRO A -3 -1.410 -10.435 7.828 1.00 0.00 C ATOM 0 HA PRO A -3 -1.535 -9.985 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A -3 -3.822 -11.076 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A -3 -2.820 -11.941 5.198 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -2.481 -12.320 7.821 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -1.093 -12.290 6.751 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -2.064 -10.137 8.648 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -0.417 -10.587 8.251 1.00 0.00 H new ATOM 24 N LEU A -2 -3.852 -8.239 6.156 1.00 0.00 N ATOM 25 CA LEU A -2 -4.908 -7.271 5.895 1.00 0.00 C ATOM 26 C LEU A -2 -4.328 -6.014 5.262 1.00 0.00 C ATOM 27 O LEU A -2 -3.333 -5.470 5.740 1.00 0.00 O ATOM 28 CB LEU A -2 -5.606 -6.907 7.208 1.00 0.00 C ATOM 29 CG LEU A -2 -6.136 -8.181 7.881 1.00 0.00 C ATOM 30 CD1 LEU A -2 -6.764 -7.821 9.230 1.00 0.00 C ATOM 31 CD2 LEU A -2 -7.191 -8.852 6.982 1.00 0.00 C ATOM 0 H LEU A -2 -3.629 -8.373 7.142 1.00 0.00 H new ATOM 0 HA LEU A -2 -5.629 -7.713 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A -2 -4.909 -6.396 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A -2 -6.427 -6.217 7.016 1.00 0.00 H new ATOM 0 HG LEU A -2 -5.309 -8.874 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A -2 -7.141 -8.725 9.709 1.00 0.00 H new ATOM 0 HD12 LEU A -2 -6.012 -7.358 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A -2 -7.587 -7.123 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A -2 -7.561 -9.755 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A -2 -8.019 -8.163 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A -2 -6.740 -9.114 6.025 1.00 0.00 H new ATOM 43 N GLY A -1 -4.955 -5.561 4.185 1.00 0.00 N ATOM 44 CA GLY A -1 -4.495 -4.368 3.490 1.00 0.00 C ATOM 45 C GLY A -1 -3.249 -4.671 2.664 1.00 0.00 C ATOM 46 O GLY A -1 -2.593 -3.760 2.163 1.00 0.00 O ATOM 0 H GLY A -1 -5.780 -6.000 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -5.285 -3.992 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -4.276 -3.582 4.213 1.00 0.00 H new ATOM 50 N SER A 0 -2.930 -5.955 2.523 1.00 0.00 N ATOM 51 CA SER A 0 -1.759 -6.360 1.757 1.00 0.00 C ATOM 52 C SER A 0 -1.959 -6.054 0.276 1.00 0.00 C ATOM 53 O SER A 0 -3.088 -5.911 -0.191 1.00 0.00 O ATOM 54 CB SER A 0 -1.512 -7.857 1.941 1.00 0.00 C ATOM 55 OG SER A 0 -2.558 -8.585 1.312 1.00 0.00 O ATOM 0 H SER A 0 -3.462 -6.726 2.926 1.00 0.00 H new ATOM 0 HA SER A 0 -0.896 -5.801 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.550 -8.134 1.510 1.00 0.00 H new ATOM 0 HB3 SER A 0 -1.469 -8.103 3.002 1.00 0.00 H new ATOM 0 HG SER A 0 -3.218 -8.856 1.984 1.00 0.00 H new ATOM 61 N ARG A 74 -0.855 -5.953 -0.453 1.00 0.00 N ATOM 62 CA ARG A 74 -0.915 -5.663 -1.881 1.00 0.00 C ATOM 63 C ARG A 74 -1.413 -6.878 -2.656 1.00 0.00 C ATOM 64 O ARG A 74 -1.000 -8.007 -2.392 1.00 0.00 O ATOM 65 CB ARG A 74 0.468 -5.257 -2.394 1.00 0.00 C ATOM 66 CG ARG A 74 0.359 -4.798 -3.850 1.00 0.00 C ATOM 67 CD ARG A 74 1.692 -4.200 -4.299 1.00 0.00 C ATOM 68 NE ARG A 74 1.986 -2.994 -3.532 1.00 0.00 N ATOM 69 CZ ARG A 74 3.107 -2.310 -3.732 1.00 0.00 C ATOM 70 NH1 ARG A 74 3.965 -2.710 -4.629 1.00 0.00 N ATOM 71 NH2 ARG A 74 3.351 -1.237 -3.029 1.00 0.00 N ATOM 0 H ARG A 74 0.088 -6.067 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.612 -4.839 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.875 -4.455 -1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.157 -6.098 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.093 -5.640 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.435 -4.058 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.490 -4.930 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.653 -3.963 -5.362 1.00 0.00 H new ATOM 0 HE ARG A 74 1.320 -2.671 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.776 -3.549 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.826 -2.184 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.681 -0.924 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.212 -0.712 -3.182 1.00 0.00 H new ATOM 85 N LYS A 75 -2.302 -6.640 -3.612 1.00 0.00 N ATOM 86 CA LYS A 75 -2.849 -7.725 -4.421 1.00 0.00 C ATOM 87 C LYS A 75 -1.771 -8.328 -5.309 1.00 0.00 C ATOM 88 O LYS A 75 -0.820 -7.649 -5.691 1.00 0.00 O ATOM 89 CB LYS A 75 -3.991 -7.197 -5.288 1.00 0.00 C ATOM 90 CG LYS A 75 -5.100 -6.611 -4.406 1.00 0.00 C ATOM 91 CD LYS A 75 -5.786 -7.731 -3.607 1.00 0.00 C ATOM 92 CE LYS A 75 -7.122 -7.232 -3.068 1.00 0.00 C ATOM 93 NZ LYS A 75 -6.887 -6.088 -2.143 1.00 0.00 N ATOM 0 H LYS A 75 -2.658 -5.713 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.225 -8.500 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.617 -6.433 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.393 -8.003 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.680 -5.871 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.833 -6.094 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.942 -8.602 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.146 -8.048 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.766 -6.922 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.639 -8.037 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.752 -5.900 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.110 -6.322 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.634 -5.243 -2.694 1.00 0.00 H new ATOM 107 N ILE A 76 -1.925 -9.610 -5.623 1.00 0.00 N ATOM 108 CA ILE A 76 -0.954 -10.298 -6.461 1.00 0.00 C ATOM 109 C ILE A 76 -1.195 -9.966 -7.931 1.00 0.00 C ATOM 110 O ILE A 76 -2.307 -10.113 -8.435 1.00 0.00 O ATOM 111 CB ILE A 76 -1.061 -11.815 -6.252 1.00 0.00 C ATOM 112 CG1 ILE A 76 -0.482 -12.175 -4.879 1.00 0.00 C ATOM 113 CG2 ILE A 76 -0.272 -12.552 -7.344 1.00 0.00 C ATOM 114 CD1 ILE A 76 -1.307 -11.510 -3.770 1.00 0.00 C ATOM 0 H ILE A 76 -2.706 -10.188 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 76 0.045 -9.965 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.108 -12.113 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.485 -13.257 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.556 -11.849 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.353 -13.628 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.678 -12.295 -8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.776 -12.257 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.888 -11.772 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.281 -10.428 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.339 -11.858 -3.826 1.00 0.00 H new ATOM 126 N ALA A 77 -0.143 -9.528 -8.612 1.00 0.00 N ATOM 127 CA ALA A 77 -0.236 -9.184 -10.028 1.00 0.00 C ATOM 128 C ALA A 77 0.128 -10.386 -10.894 1.00 0.00 C ATOM 129 O ALA A 77 0.593 -11.410 -10.390 1.00 0.00 O ATOM 130 CB ALA A 77 0.696 -8.020 -10.347 1.00 0.00 C ATOM 0 H ALA A 77 0.785 -9.402 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.263 -8.891 -10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.619 -7.772 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.413 -7.153 -9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.723 -8.302 -10.114 1.00 0.00 H new ATOM 136 N GLN A 78 -0.087 -10.256 -12.198 1.00 0.00 N ATOM 137 CA GLN A 78 0.217 -11.339 -13.126 1.00 0.00 C ATOM 138 C GLN A 78 1.694 -11.709 -13.040 1.00 0.00 C ATOM 139 O GLN A 78 2.549 -10.845 -12.844 1.00 0.00 O ATOM 140 CB GLN A 78 -0.118 -10.910 -14.556 1.00 0.00 C ATOM 141 CG GLN A 78 -1.633 -10.749 -14.700 1.00 0.00 C ATOM 142 CD GLN A 78 -1.974 -10.263 -16.105 1.00 0.00 C ATOM 143 OE1 GLN A 78 -1.228 -10.518 -17.050 1.00 0.00 O ATOM 144 NE2 GLN A 78 -3.065 -9.576 -16.300 1.00 0.00 N ATOM 0 H GLN A 78 -0.468 -9.417 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.385 -12.207 -12.857 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.382 -9.971 -14.792 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.248 -11.653 -15.265 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.128 -11.700 -14.505 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.004 -10.039 -13.961 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.682 -9.366 -15.516 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.301 -9.249 -17.237 1.00 0.00 H new ATOM 153 N MET A 79 1.987 -12.997 -13.186 1.00 0.00 N ATOM 154 CA MET A 79 3.365 -13.468 -13.115 1.00 0.00 C ATOM 155 C MET A 79 4.162 -12.969 -14.315 1.00 0.00 C ATOM 156 O MET A 79 3.686 -13.007 -15.450 1.00 0.00 O ATOM 157 CB MET A 79 3.390 -14.998 -13.084 1.00 0.00 C ATOM 158 CG MET A 79 2.812 -15.496 -11.757 1.00 0.00 C ATOM 159 SD MET A 79 3.101 -17.276 -11.605 1.00 0.00 S ATOM 160 CE MET A 79 1.976 -17.810 -12.914 1.00 0.00 C ATOM 0 H MET A 79 1.295 -13.728 -13.353 1.00 0.00 H new ATOM 0 HA MET A 79 3.819 -13.078 -12.204 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.811 -15.398 -13.917 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.412 -15.357 -13.204 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.277 -14.969 -10.924 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.744 -15.285 -11.711 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.709 -18.855 -12.760 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.075 -17.198 -12.891 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.465 -17.700 -13.882 1.00 0.00 H new ATOM 170 N THR A 80 5.378 -12.505 -14.053 1.00 0.00 N ATOM 171 CA THR A 80 6.243 -11.998 -15.114 1.00 0.00 C ATOM 172 C THR A 80 6.883 -13.148 -15.883 1.00 0.00 C ATOM 173 O THR A 80 6.847 -14.298 -15.445 1.00 0.00 O ATOM 174 CB THR A 80 7.334 -11.104 -14.524 1.00 0.00 C ATOM 175 OG1 THR A 80 8.169 -11.878 -13.677 1.00 0.00 O ATOM 176 CG2 THR A 80 6.691 -9.974 -13.718 1.00 0.00 C ATOM 0 H THR A 80 5.787 -12.469 -13.119 1.00 0.00 H new ATOM 0 HA THR A 80 5.632 -11.414 -15.802 1.00 0.00 H new ATOM 0 HB THR A 80 7.930 -10.676 -15.330 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.870 -11.307 -13.299 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.470 -9.338 -13.298 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.050 -9.381 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.094 -10.397 -12.910 1.00 0.00 H new ATOM 184 N GLU A 81 7.471 -12.832 -17.033 1.00 0.00 N ATOM 185 CA GLU A 81 8.115 -13.851 -17.856 1.00 0.00 C ATOM 186 C GLU A 81 9.262 -14.507 -17.090 1.00 0.00 C ATOM 187 O GLU A 81 9.448 -15.721 -17.156 1.00 0.00 O ATOM 188 CB GLU A 81 8.657 -13.214 -19.136 1.00 0.00 C ATOM 189 CG GLU A 81 7.492 -12.793 -20.033 1.00 0.00 C ATOM 190 CD GLU A 81 8.013 -12.033 -21.246 1.00 0.00 C ATOM 191 OE1 GLU A 81 9.214 -11.831 -21.324 1.00 0.00 O ATOM 192 OE2 GLU A 81 7.203 -11.658 -22.079 1.00 0.00 O ATOM 0 H GLU A 81 7.515 -11.887 -17.414 1.00 0.00 H new ATOM 0 HA GLU A 81 7.377 -14.612 -18.110 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.272 -12.348 -18.891 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.298 -13.921 -19.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.936 -13.673 -20.357 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.799 -12.166 -19.472 1.00 0.00 H new ATOM 199 N GLU A 82 10.023 -13.696 -16.362 1.00 0.00 N ATOM 200 CA GLU A 82 11.145 -14.214 -15.585 1.00 0.00 C ATOM 201 C GLU A 82 10.653 -15.163 -14.500 1.00 0.00 C ATOM 202 O GLU A 82 11.274 -16.192 -14.231 1.00 0.00 O ATOM 203 CB GLU A 82 11.917 -13.058 -14.945 1.00 0.00 C ATOM 204 CG GLU A 82 12.659 -12.277 -16.031 1.00 0.00 C ATOM 205 CD GLU A 82 13.331 -11.051 -15.422 1.00 0.00 C ATOM 206 OE1 GLU A 82 13.068 -10.768 -14.264 1.00 0.00 O ATOM 207 OE2 GLU A 82 14.096 -10.409 -16.123 1.00 0.00 O ATOM 0 H GLU A 82 9.886 -12.688 -16.293 1.00 0.00 H new ATOM 0 HA GLU A 82 11.805 -14.762 -16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.231 -12.399 -14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.625 -13.442 -14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.406 -12.915 -16.504 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.962 -11.971 -16.811 1.00 0.00 H new ATOM 214 N GLU A 83 9.537 -14.809 -13.871 1.00 0.00 N ATOM 215 CA GLU A 83 8.977 -15.636 -12.811 1.00 0.00 C ATOM 216 C GLU A 83 8.565 -16.997 -13.361 1.00 0.00 C ATOM 217 O GLU A 83 8.783 -18.026 -12.724 1.00 0.00 O ATOM 218 CB GLU A 83 7.757 -14.939 -12.193 1.00 0.00 C ATOM 219 CG GLU A 83 7.213 -15.773 -11.024 1.00 0.00 C ATOM 220 CD GLU A 83 8.245 -15.827 -9.902 1.00 0.00 C ATOM 221 OE1 GLU A 83 9.130 -14.986 -9.899 1.00 0.00 O ATOM 222 OE2 GLU A 83 8.138 -16.710 -9.069 1.00 0.00 O ATOM 0 H GLU A 83 9.007 -13.962 -14.075 1.00 0.00 H new ATOM 0 HA GLU A 83 9.738 -15.781 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.034 -13.945 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.982 -14.807 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.285 -15.337 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.979 -16.782 -11.363 1.00 0.00 H new ATOM 229 N GLN A 84 7.960 -16.997 -14.545 1.00 0.00 N ATOM 230 CA GLN A 84 7.519 -18.243 -15.160 1.00 0.00 C ATOM 231 C GLN A 84 8.709 -19.165 -15.407 1.00 0.00 C ATOM 232 O GLN A 84 8.635 -20.369 -15.164 1.00 0.00 O ATOM 233 CB GLN A 84 6.811 -17.946 -16.484 1.00 0.00 C ATOM 234 CG GLN A 84 6.267 -19.247 -17.079 1.00 0.00 C ATOM 235 CD GLN A 84 5.411 -18.944 -18.303 1.00 0.00 C ATOM 236 OE1 GLN A 84 5.132 -17.779 -18.594 1.00 0.00 O ATOM 237 NE2 GLN A 84 4.971 -19.925 -19.042 1.00 0.00 N ATOM 0 H GLN A 84 7.766 -16.158 -15.092 1.00 0.00 H new ATOM 0 HA GLN A 84 6.825 -18.740 -14.483 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.997 -17.240 -16.322 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.505 -17.477 -17.182 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.093 -19.903 -17.356 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.675 -19.778 -16.333 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.202 -20.889 -18.801 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.396 -19.728 -19.861 1.00 0.00 H new ATOM 246 N PHE A 85 9.805 -18.591 -15.890 1.00 0.00 N ATOM 247 CA PHE A 85 11.004 -19.376 -16.166 1.00 0.00 C ATOM 248 C PHE A 85 11.533 -20.010 -14.876 1.00 0.00 C ATOM 249 O PHE A 85 11.860 -21.200 -14.838 1.00 0.00 O ATOM 250 CB PHE A 85 12.077 -18.477 -16.783 1.00 0.00 C ATOM 251 CG PHE A 85 13.258 -19.323 -17.198 1.00 0.00 C ATOM 252 CD1 PHE A 85 13.131 -20.204 -18.282 1.00 0.00 C ATOM 253 CD2 PHE A 85 14.479 -19.222 -16.519 1.00 0.00 C ATOM 254 CE1 PHE A 85 14.217 -20.992 -18.675 1.00 0.00 C ATOM 255 CE2 PHE A 85 15.566 -20.012 -16.914 1.00 0.00 C ATOM 256 CZ PHE A 85 15.438 -20.891 -17.996 1.00 0.00 C ATOM 0 H PHE A 85 9.889 -17.596 -16.097 1.00 0.00 H new ATOM 0 HA PHE A 85 10.752 -20.171 -16.868 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.673 -17.948 -17.646 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.392 -17.720 -16.064 1.00 0.00 H new ATOM 0 HD1 PHE A 85 12.193 -20.274 -18.814 1.00 0.00 H new ATOM 0 HD2 PHE A 85 14.582 -18.536 -15.692 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.114 -21.679 -19.502 1.00 0.00 H new ATOM 0 HE2 PHE A 85 16.504 -19.943 -16.383 1.00 0.00 H new ATOM 0 HZ PHE A 85 16.280 -21.491 -18.307 1.00 0.00 H new ATOM 266 N ALA A 86 11.608 -19.205 -13.821 1.00 0.00 N ATOM 267 CA ALA A 86 12.091 -19.696 -12.538 1.00 0.00 C ATOM 268 C ALA A 86 11.183 -20.806 -12.021 1.00 0.00 C ATOM 269 O ALA A 86 11.650 -21.794 -11.453 1.00 0.00 O ATOM 270 CB ALA A 86 12.138 -18.552 -11.521 1.00 0.00 C ATOM 0 H ALA A 86 11.343 -18.220 -13.829 1.00 0.00 H new ATOM 0 HA ALA A 86 13.096 -20.095 -12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.500 -18.930 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.809 -17.772 -11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.138 -18.139 -11.392 1.00 0.00 H new ATOM 276 N LEU A 87 9.879 -20.635 -12.210 1.00 0.00 N ATOM 277 CA LEU A 87 8.920 -21.625 -11.747 1.00 0.00 C ATOM 278 C LEU A 87 9.160 -22.963 -12.451 1.00 0.00 C ATOM 279 O LEU A 87 9.067 -24.028 -11.837 1.00 0.00 O ATOM 280 CB LEU A 87 7.484 -21.129 -12.029 1.00 0.00 C ATOM 281 CG LEU A 87 6.542 -21.602 -10.915 1.00 0.00 C ATOM 282 CD1 LEU A 87 5.123 -21.117 -11.206 1.00 0.00 C ATOM 283 CD2 LEU A 87 6.564 -23.135 -10.831 1.00 0.00 C ATOM 0 H LEU A 87 9.467 -19.827 -12.677 1.00 0.00 H new ATOM 0 HA LEU A 87 9.046 -21.768 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.471 -20.041 -12.091 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.142 -21.507 -12.992 1.00 0.00 H new ATOM 0 HG LEU A 87 6.874 -21.190 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.454 -21.453 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.113 -20.028 -11.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.788 -21.523 -12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.893 -23.466 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.237 -23.556 -11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.577 -23.473 -10.613 1.00 0.00 H new ATOM 295 N ALA A 88 9.462 -22.897 -13.743 1.00 0.00 N ATOM 296 CA ALA A 88 9.702 -24.103 -14.519 1.00 0.00 C ATOM 297 C ALA A 88 10.878 -24.875 -13.940 1.00 0.00 C ATOM 298 O ALA A 88 10.849 -26.105 -13.861 1.00 0.00 O ATOM 299 CB ALA A 88 9.989 -23.739 -15.974 1.00 0.00 C ATOM 0 H ALA A 88 9.545 -22.027 -14.270 1.00 0.00 H new ATOM 0 HA ALA A 88 8.811 -24.730 -14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.168 -24.648 -16.548 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.134 -23.208 -16.392 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.871 -23.100 -16.022 1.00 0.00 H new ATOM 305 N LEU A 89 11.907 -24.147 -13.532 1.00 0.00 N ATOM 306 CA LEU A 89 13.089 -24.775 -12.949 1.00 0.00 C ATOM 307 C LEU A 89 12.742 -25.463 -11.635 1.00 0.00 C ATOM 308 O LEU A 89 13.268 -26.530 -11.326 1.00 0.00 O ATOM 309 CB LEU A 89 14.171 -23.723 -12.708 1.00 0.00 C ATOM 310 CG LEU A 89 14.674 -23.193 -14.059 1.00 0.00 C ATOM 311 CD1 LEU A 89 15.591 -21.988 -13.819 1.00 0.00 C ATOM 312 CD2 LEU A 89 15.448 -24.294 -14.821 1.00 0.00 C ATOM 0 H LEU A 89 11.950 -23.130 -13.592 1.00 0.00 H new ATOM 0 HA LEU A 89 13.460 -25.525 -13.648 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.772 -22.904 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.997 -24.157 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 89 13.818 -22.892 -14.663 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.951 -21.608 -14.775 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.035 -21.205 -13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.440 -22.293 -13.207 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.796 -23.900 -15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.304 -24.615 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.790 -25.145 -14.998 1.00 0.00 H new ATOM 324 N LYS A 90 11.860 -24.843 -10.862 1.00 0.00 N ATOM 325 CA LYS A 90 11.460 -25.405 -9.576 1.00 0.00 C ATOM 326 C LYS A 90 10.767 -26.748 -9.770 1.00 0.00 C ATOM 327 O LYS A 90 10.995 -27.691 -9.010 1.00 0.00 O ATOM 328 CB LYS A 90 10.517 -24.439 -8.861 1.00 0.00 C ATOM 329 CG LYS A 90 11.297 -23.208 -8.392 1.00 0.00 C ATOM 330 CD LYS A 90 10.343 -22.231 -7.702 1.00 0.00 C ATOM 331 CE LYS A 90 11.129 -21.016 -7.205 1.00 0.00 C ATOM 332 NZ LYS A 90 11.728 -20.305 -8.370 1.00 0.00 N ATOM 0 H LYS A 90 11.411 -23.959 -11.099 1.00 0.00 H new ATOM 0 HA LYS A 90 12.354 -25.557 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.712 -24.138 -9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.052 -24.934 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.089 -23.506 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.778 -22.724 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.564 -21.915 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.845 -22.722 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.471 -20.344 -6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.912 -21.332 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.963 -19.329 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.592 -20.799 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.047 -20.290 -9.156 1.00 0.00 H new ATOM 346 N MET A 91 9.923 -26.832 -10.789 1.00 0.00 N ATOM 347 CA MET A 91 9.211 -28.073 -11.065 1.00 0.00 C ATOM 348 C MET A 91 10.185 -29.181 -11.452 1.00 0.00 C ATOM 349 O MET A 91 10.026 -30.329 -11.038 1.00 0.00 O ATOM 350 CB MET A 91 8.199 -27.866 -12.195 1.00 0.00 C ATOM 351 CG MET A 91 7.040 -26.991 -11.699 1.00 0.00 C ATOM 352 SD MET A 91 5.679 -27.042 -12.894 1.00 0.00 S ATOM 353 CE MET A 91 6.407 -25.954 -14.137 1.00 0.00 C ATOM 0 H MET A 91 9.716 -26.067 -11.431 1.00 0.00 H new ATOM 0 HA MET A 91 8.684 -28.367 -10.158 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.685 -27.393 -13.049 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.820 -28.829 -12.537 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.696 -27.344 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.379 -25.964 -11.564 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.652 -25.691 -14.877 1.00 0.00 H new ATOM 0 HE2 MET A 91 6.775 -25.048 -13.656 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.234 -26.466 -14.629 1.00 0.00 H new ATOM 363 N SER A 92 11.189 -28.833 -12.245 1.00 0.00 N ATOM 364 CA SER A 92 12.176 -29.814 -12.682 1.00 0.00 C ATOM 365 C SER A 92 12.923 -30.391 -11.482 1.00 0.00 C ATOM 366 O SER A 92 13.227 -31.581 -11.439 1.00 0.00 O ATOM 367 CB SER A 92 13.173 -29.155 -13.637 1.00 0.00 C ATOM 368 OG SER A 92 13.892 -28.145 -12.937 1.00 0.00 O ATOM 0 H SER A 92 11.342 -27.888 -12.597 1.00 0.00 H new ATOM 0 HA SER A 92 11.658 -30.623 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.862 -29.900 -14.034 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.648 -28.721 -14.488 1.00 0.00 H new ATOM 0 HG SER A 92 13.293 -27.695 -12.305 1.00 0.00 H new ATOM 374 N GLU A 93 13.207 -29.536 -10.506 1.00 0.00 N ATOM 375 CA GLU A 93 13.909 -29.970 -9.304 1.00 0.00 C ATOM 376 C GLU A 93 13.049 -30.947 -8.512 1.00 0.00 C ATOM 377 O GLU A 93 13.552 -31.916 -7.944 1.00 0.00 O ATOM 378 CB GLU A 93 14.256 -28.763 -8.432 1.00 0.00 C ATOM 379 CG GLU A 93 15.283 -27.889 -9.156 1.00 0.00 C ATOM 380 CD GLU A 93 16.625 -28.608 -9.229 1.00 0.00 C ATOM 381 OE1 GLU A 93 16.793 -29.581 -8.514 1.00 0.00 O ATOM 382 OE2 GLU A 93 17.463 -28.176 -10.003 1.00 0.00 O ATOM 0 H GLU A 93 12.964 -28.545 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 93 14.830 -30.471 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.357 -28.185 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.656 -29.096 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.931 -27.657 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.398 -26.940 -8.632 1.00 0.00 H new ATOM 389 N GLN A 94 11.745 -30.684 -8.474 1.00 0.00 N ATOM 390 CA GLN A 94 10.826 -31.551 -7.744 1.00 0.00 C ATOM 391 C GLN A 94 10.834 -32.961 -8.328 1.00 0.00 C ATOM 392 O GLN A 94 10.854 -33.950 -7.593 1.00 0.00 O ATOM 393 CB GLN A 94 9.406 -30.976 -7.812 1.00 0.00 C ATOM 394 CG GLN A 94 9.322 -29.709 -6.959 1.00 0.00 C ATOM 395 CD GLN A 94 7.975 -29.024 -7.175 1.00 0.00 C ATOM 396 OE1 GLN A 94 7.408 -29.093 -8.265 1.00 0.00 O ATOM 397 NE2 GLN A 94 7.423 -28.371 -6.189 1.00 0.00 N ATOM 0 H GLN A 94 11.305 -29.887 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 94 11.152 -31.602 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.144 -30.748 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.687 -31.714 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.447 -29.961 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.132 -29.029 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.895 -28.315 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.520 -27.916 -6.321 1.00 0.00 H new ATOM 406 N GLU A 95 10.840 -33.049 -9.651 1.00 0.00 N ATOM 407 CA GLU A 95 10.856 -34.349 -10.312 1.00 0.00 C ATOM 408 C GLU A 95 12.120 -35.114 -9.939 1.00 0.00 C ATOM 409 O GLU A 95 12.075 -36.318 -9.690 1.00 0.00 O ATOM 410 CB GLU A 95 10.788 -34.158 -11.836 1.00 0.00 C ATOM 411 CG GLU A 95 9.342 -33.899 -12.270 1.00 0.00 C ATOM 412 CD GLU A 95 8.866 -32.555 -11.735 1.00 0.00 C ATOM 413 OE1 GLU A 95 8.645 -32.461 -10.541 1.00 0.00 O ATOM 414 OE2 GLU A 95 8.729 -31.639 -12.529 1.00 0.00 O ATOM 0 H GLU A 95 10.834 -32.248 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 95 9.990 -34.924 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.421 -33.322 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.174 -35.045 -12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.273 -33.911 -13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.696 -34.695 -11.901 1.00 0.00 H new ATOM 421 N ALA A 96 13.239 -34.413 -9.904 1.00 0.00 N ATOM 422 CA ALA A 96 14.508 -35.039 -9.546 1.00 0.00 C ATOM 423 C ALA A 96 14.507 -35.470 -8.081 1.00 0.00 C ATOM 424 O ALA A 96 15.048 -36.517 -7.725 1.00 0.00 O ATOM 425 CB ALA A 96 15.661 -34.073 -9.804 1.00 0.00 C ATOM 0 H ALA A 96 13.300 -33.417 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 96 14.638 -35.926 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.603 -34.550 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.681 -33.804 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.524 -33.174 -9.203 1.00 0.00 H new ATOM 431 N ARG A 97 13.908 -34.646 -7.230 1.00 0.00 N ATOM 432 CA ARG A 97 13.847 -34.936 -5.801 1.00 0.00 C ATOM 433 C ARG A 97 13.007 -36.171 -5.534 1.00 0.00 C ATOM 434 O ARG A 97 13.164 -36.831 -4.504 1.00 0.00 O ATOM 435 CB ARG A 97 13.270 -33.736 -5.050 1.00 0.00 C ATOM 436 CG ARG A 97 14.283 -32.573 -5.057 1.00 0.00 C ATOM 437 CD ARG A 97 15.259 -32.722 -3.883 1.00 0.00 C ATOM 438 NE ARG A 97 16.228 -31.637 -3.896 1.00 0.00 N ATOM 439 CZ ARG A 97 15.942 -30.457 -3.360 1.00 0.00 C ATOM 440 NH1 ARG A 97 14.775 -30.254 -2.813 1.00 0.00 N ATOM 441 NH2 ARG A 97 16.829 -29.502 -3.380 1.00 0.00 N ATOM 0 H ARG A 97 13.458 -33.772 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 97 14.859 -35.129 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.337 -33.419 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 97 13.034 -34.018 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.832 -32.564 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.757 -31.621 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.710 -32.718 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.774 -33.680 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 97 17.142 -31.786 -4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.082 -31.002 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.556 -29.347 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.741 -29.662 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.611 -28.595 -2.969 1.00 0.00 H new ATOM 455 N GLU A 98 12.113 -36.479 -6.462 1.00 0.00 N ATOM 456 CA GLU A 98 11.251 -37.646 -6.311 1.00 0.00 C ATOM 457 C GLU A 98 12.031 -38.932 -6.512 1.00 0.00 C ATOM 458 O GLU A 98 11.552 -40.019 -6.194 1.00 0.00 O ATOM 459 CB GLU A 98 10.099 -37.579 -7.321 1.00 0.00 C ATOM 460 CG GLU A 98 9.074 -36.535 -6.877 1.00 0.00 C ATOM 461 CD GLU A 98 8.093 -36.255 -8.011 1.00 0.00 C ATOM 462 OE1 GLU A 98 8.385 -36.642 -9.131 1.00 0.00 O ATOM 463 OE2 GLU A 98 7.066 -35.656 -7.743 1.00 0.00 O ATOM 0 H GLU A 98 11.965 -35.945 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 98 10.850 -37.642 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.485 -37.325 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.622 -38.555 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.536 -36.892 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.581 -35.615 -6.588 1.00 0.00 H new ATOM 470 N VAL A 99 13.238 -38.801 -7.023 1.00 0.00 N ATOM 471 CA VAL A 99 14.089 -39.967 -7.251 1.00 0.00 C ATOM 472 C VAL A 99 14.792 -40.369 -5.961 1.00 0.00 C ATOM 473 O VAL A 99 15.433 -39.539 -5.313 1.00 0.00 O ATOM 474 CB VAL A 99 15.126 -39.658 -8.334 1.00 0.00 C ATOM 475 CG1 VAL A 99 16.020 -40.884 -8.555 1.00 0.00 C ATOM 476 CG2 VAL A 99 14.408 -39.311 -9.639 1.00 0.00 C ATOM 0 H VAL A 99 13.656 -37.909 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 99 13.463 -40.795 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 99 15.740 -38.815 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.758 -40.662 -9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.531 -41.134 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.408 -41.729 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.144 -39.091 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.795 -40.156 -9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.773 -38.439 -9.484 1.00 0.00 H new ATOM 486 N ASN A 100 14.684 -41.642 -5.595 1.00 0.00 N ATOM 487 CA ASN A 100 15.320 -42.127 -4.376 1.00 0.00 C ATOM 488 C ASN A 100 16.778 -42.484 -4.645 1.00 0.00 C ATOM 489 O ASN A 100 17.075 -43.376 -5.439 1.00 0.00 O ATOM 490 CB ASN A 100 14.580 -43.369 -3.874 1.00 0.00 C ATOM 491 CG ASN A 100 13.116 -43.035 -3.605 1.00 0.00 C ATOM 492 OD1 ASN A 100 12.221 -43.606 -4.226 1.00 0.00 O ATOM 493 ND2 ASN A 100 12.820 -42.141 -2.703 1.00 0.00 N ATOM 0 H ASN A 100 14.168 -42.349 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 100 15.280 -41.341 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.649 -44.167 -4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 100 15.050 -43.738 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.844 -41.914 -2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.564 -41.669 -2.189 1.00 0.00 H new ATOM 500 N SER A 101 17.683 -41.790 -3.962 1.00 0.00 N ATOM 501 CA SER A 101 19.112 -42.047 -4.113 1.00 0.00 C ATOM 502 C SER A 101 19.523 -43.300 -3.344 1.00 0.00 C ATOM 503 O SER A 101 20.449 -44.020 -3.734 1.00 0.00 O ATOM 504 CB SER A 101 19.912 -40.842 -3.622 1.00 0.00 C ATOM 505 OG SER A 101 19.717 -40.686 -2.225 1.00 0.00 O ATOM 0 H SER A 101 17.454 -41.048 -3.301 1.00 0.00 H new ATOM 0 HA SER A 101 19.324 -42.211 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 101 20.971 -40.981 -3.839 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.594 -39.942 -4.148 1.00 0.00 H new ATOM 0 HG SER A 101 20.231 -39.914 -1.907 1.00 0.00 H new ATOM 511 N GLN A 102 18.832 -43.552 -2.238 1.00 0.00 N ATOM 512 CA GLN A 102 19.130 -44.713 -1.410 1.00 0.00 C ATOM 513 C GLN A 102 18.830 -46.000 -2.163 1.00 0.00 C ATOM 514 O GLN A 102 19.462 -47.028 -1.927 1.00 0.00 O ATOM 515 CB GLN A 102 18.307 -44.664 -0.121 1.00 0.00 C ATOM 516 CG GLN A 102 16.817 -44.749 -0.461 1.00 0.00 C ATOM 517 CD GLN A 102 15.982 -44.575 0.801 1.00 0.00 C ATOM 518 OE1 GLN A 102 16.162 -45.310 1.770 1.00 0.00 O ATOM 519 NE2 GLN A 102 15.074 -43.640 0.845 1.00 0.00 N ATOM 0 H GLN A 102 18.066 -42.971 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 102 20.191 -44.694 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 102 18.589 -45.488 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 102 18.515 -43.741 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 102 16.557 -43.979 -1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 102 16.596 -45.711 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.928 -43.032 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.510 -43.516 1.686 1.00 0.00 H new ATOM 528 N GLU A 103 17.860 -45.938 -3.069 1.00 0.00 N ATOM 529 CA GLU A 103 17.484 -47.113 -3.841 1.00 0.00 C ATOM 530 C GLU A 103 18.658 -47.602 -4.673 1.00 0.00 C ATOM 531 O GLU A 103 18.922 -48.800 -4.741 1.00 0.00 O ATOM 532 CB GLU A 103 16.309 -46.775 -4.760 1.00 0.00 C ATOM 533 CG GLU A 103 15.912 -48.012 -5.571 1.00 0.00 C ATOM 534 CD GLU A 103 14.640 -47.735 -6.363 1.00 0.00 C ATOM 535 OE1 GLU A 103 14.084 -46.662 -6.198 1.00 0.00 O ATOM 536 OE2 GLU A 103 14.244 -48.598 -7.128 1.00 0.00 O ATOM 0 H GLU A 103 17.326 -45.096 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 103 17.190 -47.903 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.461 -46.429 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 103 16.583 -45.961 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.720 -48.286 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.756 -48.859 -4.903 1.00 0.00 H new ATOM 543 N GLU A 104 19.370 -46.670 -5.293 1.00 0.00 N ATOM 544 CA GLU A 104 20.525 -47.032 -6.109 1.00 0.00 C ATOM 545 C GLU A 104 21.650 -47.567 -5.232 1.00 0.00 C ATOM 546 O GLU A 104 22.339 -48.521 -5.599 1.00 0.00 O ATOM 547 CB GLU A 104 21.013 -45.810 -6.889 1.00 0.00 C ATOM 548 CG GLU A 104 19.938 -45.389 -7.897 1.00 0.00 C ATOM 549 CD GLU A 104 19.824 -46.430 -9.006 1.00 0.00 C ATOM 550 OE1 GLU A 104 20.735 -47.231 -9.136 1.00 0.00 O ATOM 551 OE2 GLU A 104 18.826 -46.410 -9.708 1.00 0.00 O ATOM 0 H GLU A 104 19.173 -45.670 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 104 20.226 -47.812 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.227 -44.989 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.943 -46.043 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.978 -45.277 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.189 -44.418 -8.323 1.00 0.00 H new ATOM 558 N GLU A 105 21.835 -46.943 -4.072 1.00 0.00 N ATOM 559 CA GLU A 105 22.884 -47.371 -3.149 1.00 0.00 C ATOM 560 C GLU A 105 22.620 -48.785 -2.643 1.00 0.00 C ATOM 561 O GLU A 105 23.533 -49.605 -2.548 1.00 0.00 O ATOM 562 CB GLU A 105 22.961 -46.411 -1.964 1.00 0.00 C ATOM 563 CG GLU A 105 23.527 -45.067 -2.426 1.00 0.00 C ATOM 564 CD GLU A 105 23.427 -44.044 -1.301 1.00 0.00 C ATOM 565 OE1 GLU A 105 22.617 -44.246 -0.411 1.00 0.00 O ATOM 566 OE2 GLU A 105 24.169 -43.076 -1.340 1.00 0.00 O ATOM 0 H GLU A 105 21.281 -46.149 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 105 23.832 -47.365 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 105 21.970 -46.270 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 105 23.592 -46.833 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 105 24.567 -45.186 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 105 22.979 -44.714 -3.300 1.00 0.00 H new ATOM 573 N GLU A 106 21.360 -49.068 -2.327 1.00 0.00 N ATOM 574 CA GLU A 106 20.985 -50.390 -1.837 1.00 0.00 C ATOM 575 C GLU A 106 21.264 -51.450 -2.892 1.00 0.00 C ATOM 576 O GLU A 106 21.728 -52.544 -2.574 1.00 0.00 O ATOM 577 CB GLU A 106 19.500 -50.408 -1.465 1.00 0.00 C ATOM 578 CG GLU A 106 19.281 -49.609 -0.179 1.00 0.00 C ATOM 579 CD GLU A 106 17.789 -49.424 0.071 1.00 0.00 C ATOM 580 OE1 GLU A 106 17.022 -49.616 -0.857 1.00 0.00 O ATOM 581 OE2 GLU A 106 17.434 -49.093 1.191 1.00 0.00 O ATOM 0 H GLU A 106 20.587 -48.406 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 106 21.581 -50.612 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 106 18.907 -49.982 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.162 -51.435 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.738 -50.128 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.768 -48.637 -0.257 1.00 0.00 H new ATOM 588 N GLU A 107 20.982 -51.125 -4.145 1.00 0.00 N ATOM 589 CA GLU A 107 21.212 -52.067 -5.234 1.00 0.00 C ATOM 590 C GLU A 107 22.693 -52.414 -5.338 1.00 0.00 C ATOM 591 O GLU A 107 23.051 -53.569 -5.573 1.00 0.00 O ATOM 592 CB GLU A 107 20.736 -51.461 -6.555 1.00 0.00 C ATOM 593 CG GLU A 107 19.209 -51.375 -6.563 1.00 0.00 C ATOM 594 CD GLU A 107 18.610 -52.768 -6.703 1.00 0.00 C ATOM 595 OE1 GLU A 107 19.362 -53.690 -6.975 1.00 0.00 O ATOM 596 OE2 GLU A 107 17.408 -52.893 -6.536 1.00 0.00 O ATOM 0 H GLU A 107 20.597 -50.225 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 107 20.650 -52.978 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 107 21.166 -50.468 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 107 21.080 -52.071 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.858 -50.910 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.876 -50.743 -7.386 1.00 0.00 H new ATOM 603 N GLU A 108 23.547 -51.411 -5.164 1.00 0.00 N ATOM 604 CA GLU A 108 24.988 -51.630 -5.246 1.00 0.00 C ATOM 605 C GLU A 108 25.453 -52.569 -4.137 1.00 0.00 C ATOM 606 O GLU A 108 26.278 -53.451 -4.363 1.00 0.00 O ATOM 607 CB GLU A 108 25.721 -50.293 -5.127 1.00 0.00 C ATOM 608 CG GLU A 108 25.466 -49.456 -6.382 1.00 0.00 C ATOM 609 CD GLU A 108 26.190 -48.119 -6.275 1.00 0.00 C ATOM 610 OE1 GLU A 108 27.277 -48.099 -5.721 1.00 0.00 O ATOM 611 OE2 GLU A 108 25.645 -47.133 -6.744 1.00 0.00 O ATOM 0 H GLU A 108 23.272 -50.449 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 108 25.215 -52.087 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 108 25.378 -49.756 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 108 26.790 -50.463 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 108 25.810 -49.995 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 108 24.396 -49.290 -6.507 1.00 0.00 H new ATOM 618 N LEU A 109 24.921 -52.370 -2.935 1.00 0.00 N ATOM 619 CA LEU A 109 25.301 -53.208 -1.800 1.00 0.00 C ATOM 620 C LEU A 109 24.818 -54.637 -1.995 1.00 0.00 C ATOM 621 O LEU A 109 25.540 -55.590 -1.706 1.00 0.00 O ATOM 622 CB LEU A 109 24.705 -52.615 -0.500 1.00 0.00 C ATOM 623 CG LEU A 109 25.724 -51.693 0.176 1.00 0.00 C ATOM 624 CD1 LEU A 109 26.020 -50.496 -0.729 1.00 0.00 C ATOM 625 CD2 LEU A 109 25.155 -51.202 1.506 1.00 0.00 C ATOM 0 H LEU A 109 24.235 -51.646 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 109 26.388 -53.227 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 109 23.796 -52.059 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.424 -53.419 0.180 1.00 0.00 H new ATOM 0 HG LEU A 109 26.648 -52.243 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 109 26.745 -49.843 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.426 -50.848 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.099 -49.942 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 109 25.877 -50.545 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.230 -50.654 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.951 -52.056 2.152 1.00 0.00 H new ATOM 637 N LEU A 110 23.599 -54.782 -2.485 1.00 0.00 N ATOM 638 CA LEU A 110 23.041 -56.108 -2.707 1.00 0.00 C ATOM 639 C LEU A 110 23.847 -56.854 -3.753 1.00 0.00 C ATOM 640 O LEU A 110 24.119 -58.046 -3.608 1.00 0.00 O ATOM 641 CB LEU A 110 21.566 -55.983 -3.146 1.00 0.00 C ATOM 642 CG LEU A 110 20.639 -56.177 -1.928 1.00 0.00 C ATOM 643 CD1 LEU A 110 20.675 -57.660 -1.463 1.00 0.00 C ATOM 644 CD2 LEU A 110 21.085 -55.240 -0.770 1.00 0.00 C ATOM 0 H LEU A 110 22.982 -54.009 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 110 23.087 -56.674 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.392 -55.005 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.340 -56.728 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 110 19.618 -55.924 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.018 -57.788 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.339 -58.304 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.694 -57.929 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.426 -55.382 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.109 -55.478 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.032 -54.203 -1.100 1.00 0.00 H new ATOM 656 N ARG A 111 24.218 -56.150 -4.808 1.00 0.00 N ATOM 657 CA ARG A 111 24.989 -56.758 -5.874 1.00 0.00 C ATOM 658 C ARG A 111 26.349 -57.208 -5.358 1.00 0.00 C ATOM 659 O ARG A 111 26.836 -58.280 -5.715 1.00 0.00 O ATOM 660 CB ARG A 111 25.165 -55.766 -7.024 1.00 0.00 C ATOM 661 CG ARG A 111 25.812 -56.475 -8.217 1.00 0.00 C ATOM 662 CD ARG A 111 26.101 -55.455 -9.318 1.00 0.00 C ATOM 663 NE ARG A 111 27.179 -54.562 -8.907 1.00 0.00 N ATOM 664 CZ ARG A 111 27.435 -53.443 -9.575 1.00 0.00 C ATOM 665 NH1 ARG A 111 26.710 -53.122 -10.611 1.00 0.00 N ATOM 666 NH2 ARG A 111 28.412 -52.665 -9.195 1.00 0.00 N ATOM 0 H ARG A 111 23.999 -55.164 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 111 24.450 -57.632 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 111 24.198 -55.353 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 111 25.786 -54.929 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 111 26.736 -56.963 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 111 25.150 -57.255 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 111 26.377 -55.970 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 111 25.202 -54.877 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 111 27.745 -54.801 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 111 25.947 -53.730 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 111 26.906 -52.263 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 111 28.979 -52.917 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 111 28.609 -51.806 -9.708 1.00 0.00 H new ATOM 680 N LYS A 112 26.959 -56.379 -4.520 1.00 0.00 N ATOM 681 CA LYS A 112 28.264 -56.699 -3.964 1.00 0.00 C ATOM 682 C LYS A 112 28.190 -57.963 -3.115 1.00 0.00 C ATOM 683 O LYS A 112 29.065 -58.823 -3.194 1.00 0.00 O ATOM 684 CB LYS A 112 28.759 -55.537 -3.108 1.00 0.00 C ATOM 685 CG LYS A 112 30.206 -55.797 -2.666 1.00 0.00 C ATOM 686 CD LYS A 112 30.655 -54.718 -1.674 1.00 0.00 C ATOM 687 CE LYS A 112 30.892 -53.394 -2.408 1.00 0.00 C ATOM 688 NZ LYS A 112 31.501 -52.414 -1.471 1.00 0.00 N ATOM 0 H LYS A 112 26.573 -55.486 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 112 28.959 -56.869 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 112 28.703 -54.607 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 112 28.118 -55.418 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 112 30.282 -56.781 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 112 30.865 -55.801 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 112 29.897 -54.584 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 112 31.569 -55.033 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 112 31.548 -53.552 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 112 29.950 -53.006 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 31.663 -51.514 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 30.859 -52.256 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 32.408 -52.785 -1.122 1.00 0.00 H new ATOM 702 N ALA A 113 27.143 -58.065 -2.301 1.00 0.00 N ATOM 703 CA ALA A 113 26.976 -59.225 -1.440 1.00 0.00 C ATOM 704 C ALA A 113 26.871 -60.494 -2.278 1.00 0.00 C ATOM 705 O ALA A 113 27.445 -61.527 -1.932 1.00 0.00 O ATOM 706 CB ALA A 113 25.713 -59.067 -0.591 1.00 0.00 C ATOM 0 H ALA A 113 26.406 -57.365 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 113 27.845 -59.301 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 113 25.595 -59.940 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.798 -58.172 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 113 24.845 -58.977 -1.244 1.00 0.00 H new ATOM 712 N ILE A 114 26.137 -60.409 -3.383 1.00 0.00 N ATOM 713 CA ILE A 114 25.971 -61.558 -4.264 1.00 0.00 C ATOM 714 C ILE A 114 27.311 -61.965 -4.874 1.00 0.00 C ATOM 715 O ILE A 114 27.650 -63.147 -4.922 1.00 0.00 O ATOM 716 CB ILE A 114 24.977 -61.220 -5.378 1.00 0.00 C ATOM 717 CG1 ILE A 114 23.586 -61.020 -4.770 1.00 0.00 C ATOM 718 CG2 ILE A 114 24.923 -62.373 -6.385 1.00 0.00 C ATOM 719 CD1 ILE A 114 22.656 -60.402 -5.813 1.00 0.00 C ATOM 0 H ILE A 114 25.652 -59.565 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 114 25.587 -62.392 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 114 25.295 -60.308 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 114 23.185 -61.975 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 114 23.650 -60.373 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 114 24.215 -62.131 -7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 114 25.912 -62.526 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 114 24.603 -63.284 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 114 21.666 -60.260 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 114 23.055 -59.438 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 114 22.583 -61.066 -6.674 1.00 0.00 H new ATOM 731 N ALA A 115 28.065 -60.977 -5.348 1.00 0.00 N ATOM 732 CA ALA A 115 29.361 -61.246 -5.960 1.00 0.00 C ATOM 733 C ALA A 115 30.314 -61.878 -4.951 1.00 0.00 C ATOM 734 O ALA A 115 31.052 -62.809 -5.277 1.00 0.00 O ATOM 735 CB ALA A 115 29.966 -59.947 -6.493 1.00 0.00 C ATOM 0 H ALA A 115 27.803 -59.992 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 115 29.213 -61.943 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 115 30.934 -60.156 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 115 29.300 -59.515 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 115 30.096 -59.242 -5.672 1.00 0.00 H new ATOM 741 N GLU A 116 30.289 -61.370 -3.724 1.00 0.00 N ATOM 742 CA GLU A 116 31.152 -61.896 -2.672 1.00 0.00 C ATOM 743 C GLU A 116 30.807 -63.349 -2.368 1.00 0.00 C ATOM 744 O GLU A 116 31.698 -64.172 -2.155 1.00 0.00 O ATOM 745 CB GLU A 116 30.995 -61.053 -1.403 1.00 0.00 C ATOM 746 CG GLU A 116 31.649 -59.685 -1.606 1.00 0.00 C ATOM 747 CD GLU A 116 33.166 -59.840 -1.631 1.00 0.00 C ATOM 748 OE1 GLU A 116 33.652 -60.823 -1.095 1.00 0.00 O ATOM 749 OE2 GLU A 116 33.824 -58.972 -2.182 1.00 0.00 O ATOM 0 H GLU A 116 29.686 -60.600 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 116 32.185 -61.848 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 116 29.938 -60.930 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 116 31.454 -61.564 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 116 31.304 -59.241 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 116 31.356 -59.008 -0.803 1.00 0.00 H new ATOM 756 N SER A 117 29.516 -63.657 -2.347 1.00 0.00 N ATOM 757 CA SER A 117 29.077 -65.018 -2.062 1.00 0.00 C ATOM 758 C SER A 117 29.538 -65.973 -3.158 1.00 0.00 C ATOM 759 O SER A 117 29.946 -67.100 -2.883 1.00 0.00 O ATOM 760 CB SER A 117 27.553 -65.058 -1.957 1.00 0.00 C ATOM 761 OG SER A 117 26.987 -64.710 -3.214 1.00 0.00 O ATOM 0 H SER A 117 28.762 -62.992 -2.522 1.00 0.00 H new ATOM 0 HA SER A 117 29.518 -65.332 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 117 27.223 -66.053 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 117 27.212 -64.366 -1.187 1.00 0.00 H new ATOM 0 HG SER A 117 27.556 -64.046 -3.657 1.00 0.00 H new ATOM 767 N LEU A 118 29.475 -65.513 -4.403 1.00 0.00 N ATOM 768 CA LEU A 118 29.893 -66.337 -5.534 1.00 0.00 C ATOM 769 C LEU A 118 31.408 -66.493 -5.551 1.00 0.00 C ATOM 770 O LEU A 118 31.927 -67.542 -5.931 1.00 0.00 O ATOM 771 CB LEU A 118 29.428 -65.696 -6.841 1.00 0.00 C ATOM 772 CG LEU A 118 27.892 -65.696 -6.894 1.00 0.00 C ATOM 773 CD1 LEU A 118 27.427 -64.874 -8.101 1.00 0.00 C ATOM 774 CD2 LEU A 118 27.354 -67.139 -7.009 1.00 0.00 C ATOM 0 H LEU A 118 29.142 -64.582 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 118 29.441 -67.323 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 118 29.805 -64.676 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 118 29.832 -66.245 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 118 27.506 -65.254 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 118 26.338 -64.872 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 118 27.789 -63.850 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 118 27.823 -65.315 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 118 26.265 -67.119 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 118 27.739 -67.599 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 118 27.678 -67.718 -6.144 1.00 0.00 H new ATOM 786 N ASN A 119 32.110 -65.442 -5.141 1.00 0.00 N ATOM 787 CA ASN A 119 33.564 -65.474 -5.121 1.00 0.00 C ATOM 788 C ASN A 119 34.066 -66.435 -4.051 1.00 0.00 C ATOM 789 O ASN A 119 35.141 -67.015 -4.184 1.00 0.00 O ATOM 790 CB ASN A 119 34.109 -64.073 -4.840 1.00 0.00 C ATOM 791 CG ASN A 119 35.603 -64.022 -5.145 1.00 0.00 C ATOM 792 OD1 ASN A 119 36.070 -64.686 -6.071 1.00 0.00 O ATOM 793 ND2 ASN A 119 36.382 -63.269 -4.418 1.00 0.00 N ATOM 0 H ASN A 119 31.698 -64.565 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 119 33.914 -65.817 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 119 33.580 -63.340 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 119 33.933 -63.808 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 119 37.382 -63.229 -4.616 1.00 0.00 H new ATOM 0 HD22 ASN A 119 35.991 -62.721 -3.652 1.00 0.00 H new ATOM 800 N SER A 120 33.276 -66.604 -2.993 1.00 0.00 N ATOM 801 CA SER A 120 33.649 -67.503 -1.901 1.00 0.00 C ATOM 802 C SER A 120 32.954 -68.846 -2.057 1.00 0.00 C ATOM 803 O SER A 120 33.334 -69.822 -1.413 1.00 0.00 O ATOM 804 CB SER A 120 33.262 -66.884 -0.561 1.00 0.00 C ATOM 805 OG SER A 120 31.846 -66.807 -0.468 1.00 0.00 O ATOM 0 H SER A 120 32.379 -66.134 -2.868 1.00 0.00 H new ATOM 0 HA SER A 120 34.728 -67.656 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 120 33.659 -67.484 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 120 33.698 -65.889 -0.468 1.00 0.00 H new ATOM 0 HG SER A 120 31.525 -66.040 -0.987 1.00 0.00 H new ATOM 811 N CYS A 121 31.938 -68.890 -2.917 1.00 0.00 N ATOM 812 CA CYS A 121 31.193 -70.124 -3.152 1.00 0.00 C ATOM 813 C CYS A 121 30.969 -70.879 -1.852 1.00 0.00 C ATOM 814 O CYS A 121 31.128 -70.322 -0.759 1.00 0.00 O ATOM 815 CB CYS A 121 31.954 -71.016 -4.132 1.00 0.00 C ATOM 816 SG CYS A 121 33.410 -71.717 -3.313 1.00 0.00 S ATOM 0 H CYS A 121 31.614 -68.090 -3.460 1.00 0.00 H new ATOM 0 HA CYS A 121 30.224 -69.859 -3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 121 31.306 -71.816 -4.490 1.00 0.00 H new ATOM 0 HB3 CYS A 121 32.258 -70.438 -5.004 1.00 0.00 H new ATOM 0 HG CYS A 121 33.638 -71.073 -2.207 1.00 0.00 H new ATOM 822 N ARG A 122 30.582 -72.144 -1.971 1.00 0.00 N ATOM 823 CA ARG A 122 30.328 -72.951 -0.795 1.00 0.00 C ATOM 824 C ARG A 122 31.644 -73.413 -0.159 1.00 0.00 C ATOM 825 O ARG A 122 32.652 -73.570 -0.848 1.00 0.00 O ATOM 826 CB ARG A 122 29.482 -74.174 -1.153 1.00 0.00 C ATOM 827 CG ARG A 122 28.101 -73.709 -1.611 1.00 0.00 C ATOM 828 CD ARG A 122 27.217 -74.924 -1.877 1.00 0.00 C ATOM 829 NE ARG A 122 25.899 -74.499 -2.331 1.00 0.00 N ATOM 830 CZ ARG A 122 24.919 -75.377 -2.516 1.00 0.00 C ATOM 831 NH1 ARG A 122 25.129 -76.645 -2.287 1.00 0.00 N ATOM 832 NH2 ARG A 122 23.749 -74.973 -2.926 1.00 0.00 N ATOM 0 H ARG A 122 30.440 -72.623 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 122 29.783 -72.335 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 122 29.966 -74.748 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 122 29.390 -74.833 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 122 27.647 -73.076 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 122 28.190 -73.106 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 122 27.680 -75.562 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 122 27.122 -75.519 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 122 25.726 -73.510 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 122 26.044 -76.961 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.378 -77.320 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 122 23.585 -73.982 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 122 22.997 -75.648 -3.068 1.00 0.00 H new ATOM 846 N PRO A 123 31.659 -73.654 1.137 1.00 0.00 N ATOM 847 CA PRO A 123 32.888 -74.128 1.850 1.00 0.00 C ATOM 848 C PRO A 123 33.456 -75.404 1.219 1.00 0.00 C ATOM 849 O PRO A 123 32.712 -76.249 0.717 1.00 0.00 O ATOM 850 CB PRO A 123 32.395 -74.414 3.284 1.00 0.00 C ATOM 851 CG PRO A 123 31.144 -73.613 3.448 1.00 0.00 C ATOM 852 CD PRO A 123 30.523 -73.487 2.067 1.00 0.00 C ATOM 0 HA PRO A 123 33.693 -73.394 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 123 32.201 -75.477 3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 123 33.145 -74.125 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 123 30.458 -74.104 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 123 31.365 -72.630 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 123 29.760 -74.248 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 123 30.040 -72.519 1.935 1.00 0.00 H new ATOM 860 N SER A 124 34.776 -75.537 1.254 1.00 0.00 N ATOM 861 CA SER A 124 35.432 -76.707 0.684 1.00 0.00 C ATOM 862 C SER A 124 35.098 -77.955 1.497 1.00 0.00 C ATOM 863 O SER A 124 34.703 -77.865 2.659 1.00 0.00 O ATOM 864 CB SER A 124 36.946 -76.500 0.671 1.00 0.00 C ATOM 865 OG SER A 124 37.435 -76.517 2.007 1.00 0.00 O ATOM 0 H SER A 124 35.410 -74.854 1.668 1.00 0.00 H new ATOM 0 HA SER A 124 35.073 -76.842 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 124 37.427 -77.284 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 124 37.191 -75.551 0.194 1.00 0.00 H new ATOM 0 HG SER A 124 38.406 -76.386 2.002 1.00 0.00 H new ATOM 871 N ASP A 125 35.257 -79.120 0.874 1.00 0.00 N ATOM 872 CA ASP A 125 34.966 -80.378 1.548 1.00 0.00 C ATOM 873 C ASP A 125 36.100 -80.750 2.496 1.00 0.00 C ATOM 874 O ASP A 125 37.259 -80.836 2.091 1.00 0.00 O ATOM 875 CB ASP A 125 34.777 -81.489 0.513 1.00 0.00 C ATOM 876 CG ASP A 125 33.619 -81.146 -0.418 1.00 0.00 C ATOM 877 OD1 ASP A 125 32.607 -80.676 0.076 1.00 0.00 O ATOM 878 OD2 ASP A 125 33.760 -81.357 -1.611 1.00 0.00 O ATOM 0 H ASP A 125 35.583 -79.217 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 125 34.049 -80.259 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 125 35.692 -81.618 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 125 34.581 -82.436 1.016 1.00 0.00 H new ATOM 883 N ALA A 126 35.756 -80.970 3.760 1.00 0.00 N ATOM 884 CA ALA A 126 36.750 -81.337 4.762 1.00 0.00 C ATOM 885 C ALA A 126 37.270 -82.745 4.509 1.00 0.00 C ATOM 886 O ALA A 126 38.380 -83.091 4.916 1.00 0.00 O ATOM 887 CB ALA A 126 36.138 -81.256 6.161 1.00 0.00 C ATOM 0 H ALA A 126 34.802 -80.901 4.114 1.00 0.00 H new ATOM 0 HA ALA A 126 37.584 -80.638 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 126 36.888 -81.532 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 126 35.797 -80.238 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 126 35.292 -81.940 6.228 1.00 0.00 H new ATOM 893 N SER A 127 36.459 -83.559 3.839 1.00 0.00 N ATOM 894 CA SER A 127 36.847 -84.932 3.545 1.00 0.00 C ATOM 895 C SER A 127 37.904 -84.962 2.451 1.00 0.00 C ATOM 896 O SER A 127 38.632 -85.943 2.311 1.00 0.00 O ATOM 897 CB SER A 127 35.628 -85.736 3.096 1.00 0.00 C ATOM 898 OG SER A 127 35.253 -85.327 1.786 1.00 0.00 O ATOM 0 H SER A 127 35.537 -83.293 3.493 1.00 0.00 H new ATOM 0 HA SER A 127 37.260 -85.375 4.451 1.00 0.00 H new ATOM 0 HB2 SER A 127 35.857 -86.802 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 127 34.801 -85.582 3.789 1.00 0.00 H new ATOM 0 HG SER A 127 34.472 -85.842 1.494 1.00 0.00 H new ATOM 904 N ALA A 128 37.982 -83.882 1.678 1.00 0.00 N ATOM 905 CA ALA A 128 38.959 -83.788 0.596 1.00 0.00 C ATOM 906 C ALA A 128 38.485 -84.588 -0.614 1.00 0.00 C ATOM 907 O ALA A 128 39.292 -85.158 -1.347 1.00 0.00 O ATOM 908 CB ALA A 128 40.329 -84.304 1.068 1.00 0.00 C ATOM 0 H ALA A 128 37.383 -83.063 1.780 1.00 0.00 H new ATOM 0 HA ALA A 128 39.059 -82.742 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 128 41.047 -84.228 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 128 40.673 -83.705 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 128 40.239 -85.346 1.376 1.00 0.00 H new ATOM 914 N THR A 129 37.172 -84.631 -0.812 1.00 0.00 N ATOM 915 CA THR A 129 36.607 -85.369 -1.933 1.00 0.00 C ATOM 916 C THR A 129 36.789 -84.595 -3.231 1.00 0.00 C ATOM 917 O THR A 129 36.614 -83.378 -3.265 1.00 0.00 O ATOM 918 CB THR A 129 35.117 -85.623 -1.689 1.00 0.00 C ATOM 919 OG1 THR A 129 34.599 -86.428 -2.739 1.00 0.00 O ATOM 920 CG2 THR A 129 34.373 -84.290 -1.648 1.00 0.00 C ATOM 0 H THR A 129 36.485 -84.168 -0.216 1.00 0.00 H new ATOM 0 HA THR A 129 37.129 -86.322 -2.019 1.00 0.00 H new ATOM 0 HB THR A 129 34.984 -86.138 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 129 33.646 -86.594 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 129 33.312 -84.471 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 129 34.773 -83.675 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 129 34.502 -83.772 -2.598 1.00 0.00 H new ATOM 928 N ARG A 130 37.143 -85.306 -4.297 1.00 0.00 N ATOM 929 CA ARG A 130 37.346 -84.674 -5.598 1.00 0.00 C ATOM 930 C ARG A 130 36.044 -84.661 -6.391 1.00 0.00 C ATOM 931 O ARG A 130 35.304 -85.644 -6.405 1.00 0.00 O ATOM 932 CB ARG A 130 38.416 -85.437 -6.383 1.00 0.00 C ATOM 933 CG ARG A 130 39.768 -85.277 -5.688 1.00 0.00 C ATOM 934 CD ARG A 130 40.817 -86.125 -6.408 1.00 0.00 C ATOM 935 NE ARG A 130 42.114 -85.980 -5.758 1.00 0.00 N ATOM 936 CZ ARG A 130 42.405 -86.656 -4.649 1.00 0.00 C ATOM 937 NH1 ARG A 130 41.520 -87.459 -4.125 1.00 0.00 N ATOM 938 NH2 ARG A 130 43.572 -86.514 -4.085 1.00 0.00 N ATOM 0 H ARG A 130 37.295 -86.315 -4.287 1.00 0.00 H new ATOM 0 HA ARG A 130 37.673 -83.646 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 130 38.151 -86.492 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 130 38.473 -85.059 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 130 40.068 -84.229 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 130 39.691 -85.584 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 130 40.515 -87.172 -6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 130 40.889 -85.819 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 130 42.809 -85.351 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 130 40.606 -87.568 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 130 41.742 -87.978 -3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 130 44.263 -85.884 -4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 130 43.794 -87.032 -3.235 1.00 0.00 H new ATOM 952 N SER A 131 35.769 -83.538 -7.046 1.00 0.00 N ATOM 953 CA SER A 131 34.553 -83.404 -7.839 1.00 0.00 C ATOM 954 C SER A 131 34.703 -82.286 -8.864 1.00 0.00 C ATOM 955 O SER A 131 35.789 -81.736 -8.958 1.00 0.00 O ATOM 956 CB SER A 131 33.364 -83.105 -6.926 1.00 0.00 C ATOM 957 OG SER A 131 33.182 -84.186 -6.022 1.00 0.00 O ATOM 958 OXT SER A 131 33.731 -81.995 -9.542 1.00 0.00 O ATOM 0 H SER A 131 36.368 -82.712 -7.044 1.00 0.00 H new ATOM 0 HA SER A 131 34.380 -84.343 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 131 33.537 -82.181 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 131 32.462 -82.957 -7.521 1.00 0.00 H new ATOM 0 HG SER A 131 33.715 -84.953 -6.318 1.00 0.00 H new TER 964 SER A 131