USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 325 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 132 SER OG : rot -141:sc= -4.13! USER MOD Single : A 142 HIS : no HE2:sc= -7.81! C(o=-7.8!,f=-8.7!) USER MOD Single : A 143 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.035) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -51:sc= 1.17 USER MOD Single : A 159 THR OG1 : rot 37:sc= 0.611 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -7.012 5.932 -3.372 1.00 0.00 N ATOM 61 CA ALA A 130 -6.280 4.678 -3.495 1.00 0.00 C ATOM 62 C ALA A 130 -5.144 4.605 -2.483 1.00 0.00 C ATOM 63 O ALA A 130 -5.044 3.651 -1.711 1.00 0.00 O ATOM 64 CB ALA A 130 -5.740 4.518 -4.909 1.00 0.00 C ATOM 0 HA ALA A 130 -6.971 3.861 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.195 3.577 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.569 4.517 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.068 5.346 -5.138 1.00 0.00 H new ATOM 70 N LEU A 131 -4.290 5.619 -2.496 1.00 0.00 N ATOM 71 CA LEU A 131 -3.155 5.678 -1.583 1.00 0.00 C ATOM 72 C LEU A 131 -3.287 6.860 -0.627 1.00 0.00 C ATOM 73 O LEU A 131 -3.788 7.921 -1.001 1.00 0.00 O ATOM 74 CB LEU A 131 -1.846 5.781 -2.371 1.00 0.00 C ATOM 75 CG LEU A 131 -1.065 4.472 -2.497 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.122 4.649 -3.430 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.603 3.995 -1.128 1.00 0.00 C ATOM 0 H LEU A 131 -4.361 6.415 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.143 4.761 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.069 6.151 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.208 6.523 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.725 3.715 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.667 3.708 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.232 4.946 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.784 5.420 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.049 3.063 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.041 4.750 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.470 3.830 -0.488 1.00 0.00 H new ATOM 89 N SER A 132 -2.833 6.670 0.607 1.00 0.00 N ATOM 90 CA SER A 132 -2.900 7.722 1.616 1.00 0.00 C ATOM 91 C SER A 132 -1.566 8.456 1.727 1.00 0.00 C ATOM 92 O SER A 132 -0.547 7.991 1.217 1.00 0.00 O ATOM 93 CB SER A 132 -3.285 7.132 2.974 1.00 0.00 C ATOM 94 OG SER A 132 -2.873 5.781 3.079 1.00 0.00 O ATOM 0 H SER A 132 -2.415 5.799 0.933 1.00 0.00 H new ATOM 0 HA SER A 132 -3.663 8.437 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.827 7.718 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 132 -4.365 7.198 3.109 1.00 0.00 H new ATOM 0 HG SER A 132 -3.561 5.265 3.548 1.00 0.00 H new ATOM 100 N PRO A 133 -1.557 9.621 2.396 1.00 0.00 N ATOM 101 CA PRO A 133 -0.343 10.426 2.571 1.00 0.00 C ATOM 102 C PRO A 133 0.776 9.650 3.260 1.00 0.00 C ATOM 103 O PRO A 133 1.883 9.538 2.732 1.00 0.00 O ATOM 104 CB PRO A 133 -0.802 11.592 3.452 1.00 0.00 C ATOM 105 CG PRO A 133 -2.277 11.663 3.260 1.00 0.00 C ATOM 106 CD PRO A 133 -2.729 10.249 3.031 1.00 0.00 C ATOM 0 HA PRO A 133 0.073 10.738 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.548 11.420 4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.320 12.524 3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.765 12.093 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.531 12.297 2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.994 9.754 3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.607 10.206 2.387 1.00 0.00 H new ATOM 114 N ALA A 134 0.483 9.123 4.444 1.00 0.00 N ATOM 115 CA ALA A 134 1.468 8.364 5.207 1.00 0.00 C ATOM 116 C ALA A 134 1.918 7.118 4.452 1.00 0.00 C ATOM 117 O ALA A 134 3.116 6.848 4.332 1.00 0.00 O ATOM 118 CB ALA A 134 0.899 7.982 6.566 1.00 0.00 C ATOM 0 H ALA A 134 -0.427 9.207 4.896 1.00 0.00 H new ATOM 0 HA ALA A 134 2.342 8.999 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.643 7.416 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.639 8.885 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.007 7.371 6.428 1.00 0.00 H new ATOM 124 N ILE A 135 0.957 6.359 3.937 1.00 0.00 N ATOM 125 CA ILE A 135 1.278 5.148 3.197 1.00 0.00 C ATOM 126 C ILE A 135 2.120 5.469 1.973 1.00 0.00 C ATOM 127 O ILE A 135 3.106 4.794 1.706 1.00 0.00 O ATOM 128 CB ILE A 135 0.021 4.380 2.752 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.866 4.068 3.960 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.421 3.096 2.030 1.00 0.00 C ATOM 131 CD1 ILE A 135 -2.073 3.218 3.625 1.00 0.00 C ATOM 0 H ILE A 135 -0.040 6.559 4.018 1.00 0.00 H new ATOM 0 HA ILE A 135 1.842 4.513 3.880 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.549 5.002 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.270 3.555 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.204 5.005 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.475 2.559 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.019 3.343 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.005 2.468 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.654 3.038 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.692 3.737 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.743 2.265 3.210 1.00 0.00 H new ATOM 143 N ARG A 136 1.734 6.502 1.229 1.00 0.00 N ATOM 144 CA ARG A 136 2.481 6.887 0.037 1.00 0.00 C ATOM 145 C ARG A 136 3.962 6.999 0.365 1.00 0.00 C ATOM 146 O ARG A 136 4.820 6.645 -0.442 1.00 0.00 O ATOM 147 CB ARG A 136 1.958 8.210 -0.526 1.00 0.00 C ATOM 148 CG ARG A 136 0.901 8.038 -1.604 1.00 0.00 C ATOM 149 CD ARG A 136 0.932 9.184 -2.603 1.00 0.00 C ATOM 150 NE ARG A 136 1.653 8.827 -3.822 1.00 0.00 N ATOM 151 CZ ARG A 136 1.130 8.105 -4.809 1.00 0.00 C ATOM 152 NH1 ARG A 136 -0.119 7.663 -4.726 1.00 0.00 N ATOM 153 NH2 ARG A 136 1.855 7.825 -5.883 1.00 0.00 N ATOM 0 H ARG A 136 0.918 7.081 1.428 1.00 0.00 H new ATOM 0 HA ARG A 136 2.344 6.117 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.541 8.802 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.794 8.776 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.062 7.095 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.085 7.983 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -0.088 9.472 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.404 10.053 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 136 2.615 9.151 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.682 7.877 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.516 7.110 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.815 8.163 -5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.453 7.271 -6.639 1.00 0.00 H new ATOM 167 N ARG A 137 4.249 7.461 1.576 1.00 0.00 N ATOM 168 CA ARG A 137 5.621 7.580 2.032 1.00 0.00 C ATOM 169 C ARG A 137 6.181 6.189 2.278 1.00 0.00 C ATOM 170 O ARG A 137 7.323 5.890 1.929 1.00 0.00 O ATOM 171 CB ARG A 137 5.691 8.410 3.313 1.00 0.00 C ATOM 172 CG ARG A 137 5.311 9.869 3.115 1.00 0.00 C ATOM 173 CD ARG A 137 6.324 10.595 2.244 1.00 0.00 C ATOM 174 NE ARG A 137 7.208 11.451 3.031 1.00 0.00 N ATOM 175 CZ ARG A 137 6.871 12.660 3.472 1.00 0.00 C ATOM 176 NH1 ARG A 137 5.671 13.161 3.207 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.737 13.371 4.181 1.00 0.00 N ATOM 0 H ARG A 137 3.549 7.758 2.256 1.00 0.00 H new ATOM 0 HA ARG A 137 6.212 8.086 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.029 7.969 4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.703 8.358 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 137 4.324 9.930 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 137 5.242 10.363 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.920 9.865 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.799 11.199 1.504 1.00 0.00 H new ATOM 0 HE ARG A 137 8.139 11.101 3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 137 5.001 12.618 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.419 14.089 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 137 8.661 12.991 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 137 7.480 14.298 4.520 1.00 0.00 H new ATOM 191 N LEU A 138 5.353 5.338 2.877 1.00 0.00 N ATOM 192 CA LEU A 138 5.747 3.964 3.167 1.00 0.00 C ATOM 193 C LEU A 138 6.067 3.205 1.880 1.00 0.00 C ATOM 194 O LEU A 138 7.146 2.629 1.744 1.00 0.00 O ATOM 195 CB LEU A 138 4.637 3.239 3.930 1.00 0.00 C ATOM 196 CG LEU A 138 4.954 1.789 4.295 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.048 1.732 5.350 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.705 1.072 4.783 1.00 0.00 C ATOM 0 H LEU A 138 4.406 5.576 3.171 1.00 0.00 H new ATOM 0 HA LEU A 138 6.644 3.997 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.424 3.791 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.729 3.257 3.327 1.00 0.00 H new ATOM 0 HG LEU A 138 5.311 1.281 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.261 0.692 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.951 2.205 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.718 2.258 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.953 0.042 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.315 1.580 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.950 1.080 3.997 1.00 0.00 H new ATOM 210 N LEU A 139 5.133 3.219 0.931 1.00 0.00 N ATOM 211 CA LEU A 139 5.334 2.539 -0.342 1.00 0.00 C ATOM 212 C LEU A 139 6.537 3.127 -1.058 1.00 0.00 C ATOM 213 O LEU A 139 7.301 2.416 -1.713 1.00 0.00 O ATOM 214 CB LEU A 139 4.085 2.663 -1.219 1.00 0.00 C ATOM 215 CG LEU A 139 3.071 1.528 -1.069 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.706 1.960 -1.578 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.549 0.287 -1.808 1.00 0.00 C ATOM 0 H LEU A 139 4.234 3.692 1.021 1.00 0.00 H new ATOM 0 HA LEU A 139 5.516 1.482 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.589 3.605 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.396 2.716 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 139 2.980 1.285 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.998 1.139 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.360 2.821 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.779 2.231 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.816 -0.511 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.669 0.517 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.505 -0.036 -1.397 1.00 0.00 H new ATOM 229 N ALA A 140 6.702 4.436 -0.912 1.00 0.00 N ATOM 230 CA ALA A 140 7.821 5.135 -1.527 1.00 0.00 C ATOM 231 C ALA A 140 9.135 4.707 -0.883 1.00 0.00 C ATOM 232 O ALA A 140 10.172 4.643 -1.542 1.00 0.00 O ATOM 233 CB ALA A 140 7.634 6.641 -1.408 1.00 0.00 C ATOM 0 H ALA A 140 6.075 5.034 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 140 7.855 4.873 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.478 7.150 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.712 6.934 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.577 6.919 -0.355 1.00 0.00 H new ATOM 239 N GLU A 141 9.078 4.411 0.413 1.00 0.00 N ATOM 240 CA GLU A 141 10.255 3.982 1.155 1.00 0.00 C ATOM 241 C GLU A 141 10.621 2.547 0.802 1.00 0.00 C ATOM 242 O GLU A 141 11.774 2.242 0.499 1.00 0.00 O ATOM 243 CB GLU A 141 10.007 4.099 2.660 1.00 0.00 C ATOM 244 CG GLU A 141 9.770 5.526 3.129 1.00 0.00 C ATOM 245 CD GLU A 141 10.807 5.990 4.133 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.163 5.196 5.029 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.262 7.149 4.025 1.00 0.00 O ATOM 0 H GLU A 141 8.225 4.461 0.970 1.00 0.00 H new ATOM 0 HA GLU A 141 11.085 4.632 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.143 3.490 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.864 3.687 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.779 6.194 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.779 5.597 3.577 1.00 0.00 H new ATOM 254 N HIS A 142 9.624 1.671 0.839 1.00 0.00 N ATOM 255 CA HIS A 142 9.828 0.263 0.520 1.00 0.00 C ATOM 256 C HIS A 142 10.199 0.087 -0.952 1.00 0.00 C ATOM 257 O HIS A 142 10.738 -0.947 -1.344 1.00 0.00 O ATOM 258 CB HIS A 142 8.565 -0.542 0.836 1.00 0.00 C ATOM 259 CG HIS A 142 8.341 -0.765 2.300 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.779 -1.890 2.968 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.713 -0.002 3.227 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.428 -1.809 4.239 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.782 -0.673 4.421 1.00 0.00 N ATOM 0 H HIS A 142 8.664 1.911 1.087 1.00 0.00 H new ATOM 0 HA HIS A 142 10.650 -0.107 1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.701 -0.023 0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.627 -1.509 0.336 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.293 -2.663 2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.245 0.956 3.057 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.635 -2.547 5.000 1.00 0.00 H new ATOM 272 N ASN A 143 9.902 1.102 -1.761 1.00 0.00 N ATOM 273 CA ASN A 143 10.201 1.057 -3.189 1.00 0.00 C ATOM 274 C ASN A 143 9.317 0.034 -3.893 1.00 0.00 C ATOM 275 O ASN A 143 9.802 -0.806 -4.652 1.00 0.00 O ATOM 276 CB ASN A 143 11.678 0.724 -3.418 1.00 0.00 C ATOM 277 CG ASN A 143 12.189 1.245 -4.747 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.743 0.493 -5.549 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.004 2.537 -4.987 1.00 0.00 N ATOM 0 H ASN A 143 9.455 1.965 -1.451 1.00 0.00 H new ATOM 0 HA ASN A 143 9.995 2.041 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.273 1.151 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.814 -0.357 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.326 2.944 -5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.540 3.123 -4.293 1.00 0.00 H new ATOM 286 N LEU A 144 8.015 0.109 -3.634 1.00 0.00 N ATOM 287 CA LEU A 144 7.061 -0.812 -4.243 1.00 0.00 C ATOM 288 C LEU A 144 6.096 -0.073 -5.160 1.00 0.00 C ATOM 289 O LEU A 144 6.165 1.148 -5.301 1.00 0.00 O ATOM 290 CB LEU A 144 6.278 -1.564 -3.165 1.00 0.00 C ATOM 291 CG LEU A 144 7.075 -1.912 -1.908 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.159 -2.466 -0.829 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.180 -2.905 -2.237 1.00 0.00 C ATOM 0 H LEU A 144 7.597 0.797 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 144 7.625 -1.529 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.418 -0.961 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.890 -2.486 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 144 7.535 -1.000 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.746 -2.708 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.405 -1.721 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.668 -3.367 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.738 -3.142 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.741 -3.817 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.854 -2.468 -2.974 1.00 0.00 H new ATOM 305 N ASP A 145 5.196 -0.826 -5.781 1.00 0.00 N ATOM 306 CA ASP A 145 4.209 -0.252 -6.688 1.00 0.00 C ATOM 307 C ASP A 145 2.795 -0.638 -6.268 1.00 0.00 C ATOM 308 O ASP A 145 2.483 -1.820 -6.119 1.00 0.00 O ATOM 309 CB ASP A 145 4.473 -0.714 -8.122 1.00 0.00 C ATOM 310 CG ASP A 145 4.224 0.382 -9.139 1.00 0.00 C ATOM 311 OD1 ASP A 145 5.031 1.332 -9.197 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.218 0.291 -9.876 1.00 0.00 O ATOM 0 H ASP A 145 5.129 -1.838 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 145 4.298 0.833 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.505 -1.056 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.835 -1.568 -8.349 1.00 0.00 H new ATOM 317 N ALA A 146 1.943 0.364 -6.079 1.00 0.00 N ATOM 318 CA ALA A 146 0.560 0.127 -5.676 1.00 0.00 C ATOM 319 C ALA A 146 -0.149 -0.805 -6.654 1.00 0.00 C ATOM 320 O ALA A 146 -0.861 -1.723 -6.247 1.00 0.00 O ATOM 321 CB ALA A 146 -0.189 1.447 -5.566 1.00 0.00 C ATOM 0 H ALA A 146 2.185 1.348 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 146 0.571 -0.357 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.219 1.257 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.296 2.079 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.181 1.952 -6.532 1.00 0.00 H new ATOM 327 N SER A 147 0.054 -0.563 -7.944 1.00 0.00 N ATOM 328 CA SER A 147 -0.565 -1.379 -8.983 1.00 0.00 C ATOM 329 C SER A 147 -0.138 -2.841 -8.863 1.00 0.00 C ATOM 330 O SER A 147 -0.810 -3.735 -9.377 1.00 0.00 O ATOM 331 CB SER A 147 -0.200 -0.841 -10.367 1.00 0.00 C ATOM 332 OG SER A 147 -1.188 -1.182 -11.324 1.00 0.00 O ATOM 0 H SER A 147 0.643 0.192 -8.296 1.00 0.00 H new ATOM 0 HA SER A 147 -1.646 -1.326 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.091 0.243 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.764 -1.246 -10.675 1.00 0.00 H new ATOM 0 HG SER A 147 -0.932 -0.825 -12.200 1.00 0.00 H new ATOM 338 N ALA A 148 0.982 -3.078 -8.185 1.00 0.00 N ATOM 339 CA ALA A 148 1.491 -4.432 -8.006 1.00 0.00 C ATOM 340 C ALA A 148 0.916 -5.077 -6.747 1.00 0.00 C ATOM 341 O ALA A 148 0.882 -6.302 -6.627 1.00 0.00 O ATOM 342 CB ALA A 148 3.011 -4.420 -7.945 1.00 0.00 C ATOM 0 H ALA A 148 1.552 -2.351 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 148 1.175 -5.027 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.378 -5.438 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.409 -4.010 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.337 -3.804 -7.107 1.00 0.00 H new ATOM 348 N ILE A 149 0.467 -4.247 -5.811 1.00 0.00 N ATOM 349 CA ILE A 149 -0.103 -4.740 -4.563 1.00 0.00 C ATOM 350 C ILE A 149 -1.614 -4.543 -4.534 1.00 0.00 C ATOM 351 O ILE A 149 -2.164 -3.761 -5.309 1.00 0.00 O ATOM 352 CB ILE A 149 0.519 -4.036 -3.340 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.018 -3.814 -3.552 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.274 -4.852 -2.079 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.665 -2.981 -2.467 1.00 0.00 C ATOM 0 H ILE A 149 0.487 -3.231 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 149 0.124 -5.805 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 149 0.042 -3.063 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.517 -4.782 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.172 -3.326 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.719 -4.343 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.799 -4.961 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.726 -5.838 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.727 -2.865 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.192 -2.000 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.542 -3.478 -1.505 1.00 0.00 H new ATOM 367 N LYS A 150 -2.282 -5.259 -3.635 1.00 0.00 N ATOM 368 CA LYS A 150 -3.732 -5.165 -3.506 1.00 0.00 C ATOM 369 C LYS A 150 -4.118 -4.213 -2.378 1.00 0.00 C ATOM 370 O LYS A 150 -3.346 -3.994 -1.446 1.00 0.00 O ATOM 371 CB LYS A 150 -4.332 -6.548 -3.251 1.00 0.00 C ATOM 372 CG LYS A 150 -4.347 -7.442 -4.480 1.00 0.00 C ATOM 373 CD LYS A 150 -4.260 -8.912 -4.101 1.00 0.00 C ATOM 374 CE LYS A 150 -5.639 -9.549 -4.023 1.00 0.00 C ATOM 375 NZ LYS A 150 -5.741 -10.515 -2.894 1.00 0.00 N ATOM 0 H LYS A 150 -1.842 -5.911 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.130 -4.771 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.765 -7.040 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.352 -6.430 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.260 -7.265 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.511 -7.183 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.654 -9.443 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.757 -9.012 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -6.392 -8.770 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.856 -10.062 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.696 -10.927 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.039 -11.272 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.559 -10.021 -1.997 1.00 0.00 H new ATOM 389 N GLY A 151 -5.320 -3.651 -2.472 1.00 0.00 N ATOM 390 CA GLY A 151 -5.789 -2.729 -1.454 1.00 0.00 C ATOM 391 C GLY A 151 -7.091 -3.181 -0.820 1.00 0.00 C ATOM 392 O GLY A 151 -7.955 -3.740 -1.493 1.00 0.00 O ATOM 0 H GLY A 151 -5.977 -3.818 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.027 -2.628 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.927 -1.743 -1.897 1.00 0.00 H new ATOM 396 N THR A 152 -7.230 -2.936 0.480 1.00 0.00 N ATOM 397 CA THR A 152 -8.437 -3.323 1.204 1.00 0.00 C ATOM 398 C THR A 152 -8.950 -2.172 2.065 1.00 0.00 C ATOM 399 O THR A 152 -9.614 -2.391 3.078 1.00 0.00 O ATOM 400 CB THR A 152 -8.161 -4.546 2.079 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.332 -4.938 2.774 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.074 -4.314 3.106 1.00 0.00 C ATOM 0 H THR A 152 -6.524 -2.473 1.052 1.00 0.00 H new ATOM 0 HA THR A 152 -9.204 -3.574 0.472 1.00 0.00 H new ATOM 0 HB THR A 152 -7.829 -5.325 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.713 -4.162 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.928 -5.221 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.144 -4.056 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.366 -3.497 3.766 1.00 0.00 H new ATOM 410 N GLY A 153 -8.639 -0.946 1.656 1.00 0.00 N ATOM 411 CA GLY A 153 -9.080 0.219 2.403 1.00 0.00 C ATOM 412 C GLY A 153 -10.575 0.444 2.298 1.00 0.00 C ATOM 413 O GLY A 153 -11.362 -0.490 2.457 1.00 0.00 O ATOM 0 H GLY A 153 -8.090 -0.738 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.807 0.099 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.556 1.102 2.036 1.00 0.00 H new ATOM 417 N VAL A 154 -10.968 1.684 2.030 1.00 0.00 N ATOM 418 CA VAL A 154 -12.379 2.029 1.904 1.00 0.00 C ATOM 419 C VAL A 154 -12.768 2.223 0.442 1.00 0.00 C ATOM 420 O VAL A 154 -12.844 3.350 -0.047 1.00 0.00 O ATOM 421 CB VAL A 154 -12.715 3.312 2.687 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.218 3.546 2.709 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.160 3.235 4.102 1.00 0.00 C ATOM 0 H VAL A 154 -10.329 2.468 1.896 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.947 1.198 2.322 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.246 4.157 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.436 4.457 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.585 3.649 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.711 2.700 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.407 4.150 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.598 2.381 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.077 3.119 4.062 1.00 0.00 H new ATOM 433 N GLY A 155 -13.013 1.116 -0.251 1.00 0.00 N ATOM 434 CA GLY A 155 -13.391 1.185 -1.650 1.00 0.00 C ATOM 435 C GLY A 155 -12.234 0.879 -2.580 1.00 0.00 C ATOM 436 O GLY A 155 -12.188 1.371 -3.708 1.00 0.00 O ATOM 0 H GLY A 155 -12.956 0.172 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.201 0.481 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.776 2.181 -1.870 1.00 0.00 H new ATOM 440 N GLY A 156 -11.296 0.066 -2.106 1.00 0.00 N ATOM 441 CA GLY A 156 -10.145 -0.290 -2.917 1.00 0.00 C ATOM 442 C GLY A 156 -8.982 0.662 -2.720 1.00 0.00 C ATOM 443 O GLY A 156 -8.682 1.474 -3.595 1.00 0.00 O ATOM 0 H GLY A 156 -11.312 -0.353 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.828 -1.303 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.433 -0.295 -3.968 1.00 0.00 H new ATOM 447 N ARG A 157 -8.327 0.563 -1.569 1.00 0.00 N ATOM 448 CA ARG A 157 -7.189 1.425 -1.260 1.00 0.00 C ATOM 449 C ARG A 157 -6.071 0.630 -0.593 1.00 0.00 C ATOM 450 O ARG A 157 -6.324 -0.324 0.141 1.00 0.00 O ATOM 451 CB ARG A 157 -7.622 2.577 -0.350 1.00 0.00 C ATOM 452 CG ARG A 157 -8.992 3.144 -0.687 1.00 0.00 C ATOM 453 CD ARG A 157 -9.042 4.647 -0.469 1.00 0.00 C ATOM 454 NE ARG A 157 -8.574 5.024 0.862 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.190 6.255 1.193 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.219 7.230 0.292 1.00 0.00 N ATOM 457 NH2 ARG A 157 -7.778 6.511 2.426 1.00 0.00 N ATOM 0 H ARG A 157 -8.563 -0.104 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.813 1.835 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.627 2.229 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.883 3.376 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.235 2.918 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.749 2.660 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.430 5.143 -1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.064 4.999 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.539 4.301 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.536 7.037 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.924 8.172 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.755 5.765 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -7.484 7.454 2.680 1.00 0.00 H new ATOM 471 N LEU A 158 -4.831 1.036 -0.852 1.00 0.00 N ATOM 472 CA LEU A 158 -3.670 0.367 -0.275 1.00 0.00 C ATOM 473 C LEU A 158 -3.511 0.732 1.198 1.00 0.00 C ATOM 474 O LEU A 158 -3.382 1.905 1.545 1.00 0.00 O ATOM 475 CB LEU A 158 -2.405 0.750 -1.047 1.00 0.00 C ATOM 476 CG LEU A 158 -1.335 -0.340 -1.129 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.967 -0.835 0.260 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.814 -1.496 -1.994 1.00 0.00 C ATOM 0 H LEU A 158 -4.605 1.825 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.823 -0.710 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.689 1.034 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -1.967 1.632 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.445 0.090 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.205 -1.610 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.580 -0.005 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.852 -1.246 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.039 -2.261 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.720 -1.922 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.027 -1.134 -3.000 1.00 0.00 H new ATOM 490 N THR A 159 -3.522 -0.280 2.060 1.00 0.00 N ATOM 491 CA THR A 159 -3.377 -0.060 3.496 1.00 0.00 C ATOM 492 C THR A 159 -2.090 -0.691 4.018 1.00 0.00 C ATOM 493 O THR A 159 -1.488 -1.540 3.356 1.00 0.00 O ATOM 494 CB THR A 159 -4.581 -0.633 4.246 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.168 -1.697 3.517 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.662 0.391 4.513 1.00 0.00 C ATOM 0 H THR A 159 -3.629 -1.258 1.791 1.00 0.00 H new ATOM 0 HA THR A 159 -3.328 1.015 3.669 1.00 0.00 H new ATOM 0 HB THR A 159 -4.187 -0.980 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.465 -2.216 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.486 -0.081 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.254 1.201 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.025 0.792 3.567 1.00 0.00 H new ATOM 504 N ARG A 160 -1.675 -0.276 5.213 1.00 0.00 N ATOM 505 CA ARG A 160 -0.459 -0.803 5.824 1.00 0.00 C ATOM 506 C ARG A 160 -0.525 -2.321 5.919 1.00 0.00 C ATOM 507 O ARG A 160 0.490 -3.007 5.801 1.00 0.00 O ATOM 508 CB ARG A 160 -0.258 -0.199 7.216 1.00 0.00 C ATOM 509 CG ARG A 160 -0.030 1.304 7.200 1.00 0.00 C ATOM 510 CD ARG A 160 0.800 1.754 8.392 1.00 0.00 C ATOM 511 NE ARG A 160 1.077 3.187 8.356 1.00 0.00 N ATOM 512 CZ ARG A 160 0.200 4.122 8.717 1.00 0.00 C ATOM 513 NH1 ARG A 160 -1.010 3.779 9.140 1.00 0.00 N ATOM 514 NH2 ARG A 160 0.534 5.404 8.653 1.00 0.00 N ATOM 0 H ARG A 160 -2.162 0.422 5.775 1.00 0.00 H new ATOM 0 HA ARG A 160 0.388 -0.529 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.133 -0.419 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.595 -0.682 7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.475 1.587 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.991 1.819 7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.272 1.510 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.740 1.203 8.408 1.00 0.00 H new ATOM 0 HE ARG A 160 1.997 3.490 8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -1.273 2.795 9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -1.677 4.500 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.462 5.674 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -0.137 6.120 8.929 1.00 0.00 H new ATOM 528 N GLU A 161 -1.731 -2.840 6.115 1.00 0.00 N ATOM 529 CA GLU A 161 -1.936 -4.277 6.207 1.00 0.00 C ATOM 530 C GLU A 161 -1.636 -4.933 4.865 1.00 0.00 C ATOM 531 O GLU A 161 -1.088 -6.034 4.806 1.00 0.00 O ATOM 532 CB GLU A 161 -3.373 -4.586 6.633 1.00 0.00 C ATOM 533 CG GLU A 161 -3.538 -5.962 7.258 1.00 0.00 C ATOM 534 CD GLU A 161 -4.988 -6.304 7.537 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.568 -5.713 8.472 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.545 -7.163 6.821 1.00 0.00 O ATOM 0 H GLU A 161 -2.581 -2.285 6.213 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.257 -4.679 6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.703 -3.830 7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.026 -4.510 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.113 -6.713 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.973 -6.005 8.189 1.00 0.00 H new ATOM 543 N ASP A 162 -1.999 -4.243 3.788 1.00 0.00 N ATOM 544 CA ASP A 162 -1.768 -4.746 2.441 1.00 0.00 C ATOM 545 C ASP A 162 -0.274 -4.836 2.151 1.00 0.00 C ATOM 546 O ASP A 162 0.225 -5.880 1.730 1.00 0.00 O ATOM 547 CB ASP A 162 -2.447 -3.838 1.415 1.00 0.00 C ATOM 548 CG ASP A 162 -3.952 -4.021 1.387 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.406 -5.179 1.272 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.675 -3.007 1.479 1.00 0.00 O ATOM 0 H ASP A 162 -2.455 -3.332 3.824 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.196 -5.746 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.214 -2.798 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.040 -4.045 0.425 1.00 0.00 H new ATOM 555 N VAL A 163 0.436 -3.737 2.384 1.00 0.00 N ATOM 556 CA VAL A 163 1.875 -3.697 2.151 1.00 0.00 C ATOM 557 C VAL A 163 2.594 -4.706 3.039 1.00 0.00 C ATOM 558 O VAL A 163 3.624 -5.263 2.656 1.00 0.00 O ATOM 559 CB VAL A 163 2.453 -2.292 2.414 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.940 -2.254 2.095 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.703 -1.246 1.605 1.00 0.00 C ATOM 0 H VAL A 163 0.040 -2.864 2.733 1.00 0.00 H new ATOM 0 HA VAL A 163 2.036 -3.952 1.103 1.00 0.00 H new ATOM 0 HB VAL A 163 2.326 -2.062 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.328 -1.254 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.465 -2.974 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.094 -2.507 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.125 -0.261 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.795 -1.473 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.650 -1.253 1.888 1.00 0.00 H new ATOM 571 N GLU A 164 2.045 -4.939 4.227 1.00 0.00 N ATOM 572 CA GLU A 164 2.635 -5.882 5.169 1.00 0.00 C ATOM 573 C GLU A 164 2.561 -7.306 4.628 1.00 0.00 C ATOM 574 O GLU A 164 3.552 -8.035 4.633 1.00 0.00 O ATOM 575 CB GLU A 164 1.925 -5.798 6.521 1.00 0.00 C ATOM 576 CG GLU A 164 2.381 -4.627 7.376 1.00 0.00 C ATOM 577 CD GLU A 164 3.756 -4.844 7.978 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.567 -5.564 7.358 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.020 -4.295 9.068 1.00 0.00 O ATOM 0 H GLU A 164 1.193 -4.488 4.560 1.00 0.00 H new ATOM 0 HA GLU A 164 3.684 -5.617 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.851 -5.718 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.094 -6.725 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.393 -3.722 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.660 -4.464 8.177 1.00 0.00 H new ATOM 586 N LYS A 165 1.380 -7.694 4.158 1.00 0.00 N ATOM 587 CA LYS A 165 1.180 -9.030 3.609 1.00 0.00 C ATOM 588 C LYS A 165 2.059 -9.244 2.383 1.00 0.00 C ATOM 589 O LYS A 165 2.620 -10.322 2.188 1.00 0.00 O ATOM 590 CB LYS A 165 -0.291 -9.239 3.240 1.00 0.00 C ATOM 591 CG LYS A 165 -1.240 -9.089 4.418 1.00 0.00 C ATOM 592 CD LYS A 165 -2.599 -8.570 3.974 1.00 0.00 C ATOM 593 CE LYS A 165 -3.709 -9.054 4.894 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.893 -9.543 4.132 1.00 0.00 N ATOM 0 H LYS A 165 0.548 -7.103 4.146 1.00 0.00 H new ATOM 0 HA LYS A 165 1.461 -9.757 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.569 -8.523 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.412 -10.234 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.361 -10.052 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.809 -8.405 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.586 -7.480 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.800 -8.900 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.330 -9.855 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.013 -8.241 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.626 -9.863 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.271 -8.772 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.610 -10.336 3.521 1.00 0.00 H new ATOM 608 N TRP A 166 2.176 -8.206 1.561 1.00 0.00 N ATOM 609 CA TRP A 166 2.991 -8.275 0.353 1.00 0.00 C ATOM 610 C TRP A 166 4.473 -8.331 0.704 1.00 0.00 C ATOM 611 O TRP A 166 5.231 -9.107 0.122 1.00 0.00 O ATOM 612 CB TRP A 166 2.712 -7.065 -0.540 1.00 0.00 C ATOM 613 CG TRP A 166 3.402 -7.135 -1.869 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.628 -6.623 -2.183 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.905 -7.751 -3.062 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.924 -6.883 -3.500 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.882 -7.575 -4.061 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.730 -8.435 -3.383 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.718 -8.058 -5.356 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.567 -8.914 -4.670 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.558 -8.725 -5.643 1.00 0.00 C ATOM 0 H TRP A 166 1.717 -7.307 1.709 1.00 0.00 H new ATOM 0 HA TRP A 166 2.728 -9.185 -0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.637 -6.981 -0.701 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.028 -6.160 -0.022 1.00 0.00 H new ATOM 0 HD1 TRP A 166 5.271 -6.092 -1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.780 -6.606 -3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.962 -8.587 -2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.479 -7.912 -6.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.661 -9.442 -4.930 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.403 -9.113 -6.639 1.00 0.00 H new ATOM 632 N LEU A 167 4.878 -7.503 1.661 1.00 0.00 N ATOM 633 CA LEU A 167 6.271 -7.456 2.094 1.00 0.00 C ATOM 634 C LEU A 167 6.743 -8.829 2.560 1.00 0.00 C ATOM 635 O LEU A 167 7.900 -9.199 2.367 1.00 0.00 O ATOM 636 CB LEU A 167 6.442 -6.436 3.220 1.00 0.00 C ATOM 637 CG LEU A 167 6.610 -4.986 2.761 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.305 -4.026 3.900 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.016 -4.758 2.229 1.00 0.00 C ATOM 0 H LEU A 167 4.262 -6.855 2.152 1.00 0.00 H new ATOM 0 HA LEU A 167 6.880 -7.153 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.575 -6.495 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.312 -6.716 3.814 1.00 0.00 H new ATOM 0 HG LEU A 167 5.902 -4.794 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.430 -3.000 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.278 -4.174 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.988 -4.215 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.119 -3.722 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.741 -4.967 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.197 -5.421 1.383 1.00 0.00 H new ATOM 651 N ALA A 168 5.836 -9.582 3.174 1.00 0.00 N ATOM 652 CA ALA A 168 6.157 -10.916 3.667 1.00 0.00 C ATOM 653 C ALA A 168 5.792 -11.991 2.646 1.00 0.00 C ATOM 654 O ALA A 168 5.734 -13.175 2.976 1.00 0.00 O ATOM 655 CB ALA A 168 5.441 -11.175 4.984 1.00 0.00 C ATOM 0 H ALA A 168 4.873 -9.291 3.342 1.00 0.00 H new ATOM 0 HA ALA A 168 7.234 -10.963 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.688 -12.174 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.757 -10.437 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.364 -11.100 4.834 1.00 0.00 H new ATOM 661 N LYS A 169 5.549 -11.576 1.404 1.00 0.00 N ATOM 662 CA LYS A 169 5.193 -12.510 0.343 1.00 0.00 C ATOM 663 C LYS A 169 6.128 -12.356 -0.853 1.00 0.00 C ATOM 664 O LYS A 169 5.735 -12.596 -1.995 1.00 0.00 O ATOM 665 CB LYS A 169 3.740 -12.291 -0.089 1.00 0.00 C ATOM 666 CG LYS A 169 2.808 -13.417 0.323 1.00 0.00 C ATOM 667 CD LYS A 169 2.741 -14.503 -0.740 1.00 0.00 C ATOM 668 CE LYS A 169 3.723 -15.626 -0.452 1.00 0.00 C ATOM 669 NZ LYS A 169 4.375 -16.126 -1.694 1.00 0.00 N ATOM 0 H LYS A 169 5.593 -10.600 1.110 1.00 0.00 H new ATOM 0 HA LYS A 169 5.298 -13.523 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.379 -11.356 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.705 -12.179 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.150 -13.848 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.809 -13.018 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.729 -14.906 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.957 -14.071 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 169 4.486 -15.272 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 169 3.201 -16.447 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 5.037 -16.891 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.649 -16.487 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 4.894 -15.349 -2.150 1.00 0.00 H new ATOM 683 N ALA A 170 7.365 -11.954 -0.584 1.00 0.00 N ATOM 684 CA ALA A 170 8.355 -11.768 -1.638 1.00 0.00 C ATOM 685 C ALA A 170 9.745 -12.178 -1.165 1.00 0.00 C ATOM 686 O ALA A 170 10.388 -12.995 -1.859 1.00 0.00 O ATOM 687 CB ALA A 170 8.361 -10.320 -2.106 1.00 0.00 C ATOM 688 OXT ALA A 170 10.180 -11.681 -0.105 1.00 0.00 O ATOM 0 H ALA A 170 7.706 -11.751 0.355 1.00 0.00 H new ATOM 0 HA ALA A 170 8.082 -12.409 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 170 9.105 -10.195 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 170 7.376 -10.059 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.607 -9.668 -1.268 1.00 0.00 H new