USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 168 GLN :FLIP amide:sc= -0.483 F(o=-2.7,f=-0.48) USER MOD Set 1.2: A 171 GLN : amide:sc= 0 X(o=-0.48,f=-0.71) USER MOD Set 2.1: A 148 MET CE :methyl 160:sc= -0.12 (180deg=-0.676) USER MOD Set 2.2: A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= -0.0206 (180deg=-0.215) USER MOD Single : A 142 LYS NZ :NH3+ -126:sc= 0.356 (180deg=-2.08!) USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.182 F(o=-1.6!,f=-0.18) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 151 THR OG1 : rot 82:sc= 0.0737 USER MOD Single : A 161 LYS NZ :NH3+ 164:sc= -0.0601 (180deg=-0.35) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 169 MET CE :methyl 165:sc= -2.39! (180deg=-2.99!) USER MOD Single : A 173 SER OG : rot -29:sc= 0.836 USER MOD Single : A 174 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.194) USER MOD Single : A 175 THR OG1 : rot 74:sc= 0.63 USER MOD Single : A 176 LYS NZ :NH3+ 148:sc= 0.00118 (180deg=0) USER MOD Single : A 182 MET CE :methyl 161:sc= -0.173 (180deg=-0.623) USER MOD Single : A 183 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.128 5.466 -2.309 1.00 0.00 N ATOM 112 CA ARG A 127 14.377 4.218 -2.346 1.00 0.00 C ATOM 113 C ARG A 127 13.556 4.034 -1.072 1.00 0.00 C ATOM 114 O ARG A 127 12.389 3.647 -1.125 1.00 0.00 O ATOM 115 CB ARG A 127 15.334 3.036 -2.523 1.00 0.00 C ATOM 116 CG ARG A 127 14.638 1.686 -2.575 1.00 0.00 C ATOM 117 CD ARG A 127 15.642 0.551 -2.691 1.00 0.00 C ATOM 118 NE ARG A 127 16.449 0.656 -3.903 1.00 0.00 N ATOM 119 CZ ARG A 127 17.433 -0.187 -4.210 1.00 0.00 C ATOM 120 NH1 ARG A 127 17.735 -1.185 -3.390 1.00 0.00 N ATOM 121 NH2 ARG A 127 18.115 -0.029 -5.336 1.00 0.00 N ATOM 0 HA ARG A 127 13.691 4.259 -3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.904 3.176 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 127 16.050 3.034 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.035 1.551 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.955 1.659 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 127 16.296 0.555 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.113 -0.402 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 127 16.248 1.418 -4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.213 -1.308 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.489 -1.830 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.886 0.739 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.869 -0.675 -5.571 1.00 0.00 H new ATOM 135 N VAL A 128 14.178 4.311 0.069 1.00 0.00 N ATOM 136 CA VAL A 128 13.513 4.176 1.363 1.00 0.00 C ATOM 137 C VAL A 128 12.285 5.076 1.460 1.00 0.00 C ATOM 138 O VAL A 128 11.201 4.623 1.826 1.00 0.00 O ATOM 139 CB VAL A 128 14.476 4.514 2.519 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.731 4.561 3.844 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.614 3.506 2.576 1.00 0.00 C ATOM 0 H VAL A 128 15.145 4.631 0.125 1.00 0.00 H new ATOM 0 HA VAL A 128 13.196 3.136 1.446 1.00 0.00 H new ATOM 0 HB VAL A 128 14.901 5.501 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.429 4.801 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.955 5.325 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.274 3.591 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.284 3.760 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.208 2.507 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.167 3.528 1.637 1.00 0.00 H new ATOM 151 N ALA A 129 12.465 6.351 1.137 1.00 0.00 N ATOM 152 CA ALA A 129 11.375 7.315 1.193 1.00 0.00 C ATOM 153 C ALA A 129 10.251 6.927 0.242 1.00 0.00 C ATOM 154 O ALA A 129 9.073 7.040 0.579 1.00 0.00 O ATOM 155 CB ALA A 129 11.891 8.709 0.874 1.00 0.00 C ATOM 0 H ALA A 129 13.357 6.741 0.833 1.00 0.00 H new ATOM 0 HA ALA A 129 10.970 7.315 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.067 9.421 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.653 8.990 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.323 8.717 -0.127 1.00 0.00 H new ATOM 161 N GLY A 130 10.623 6.464 -0.948 1.00 0.00 N ATOM 162 CA GLY A 130 9.635 6.061 -1.930 1.00 0.00 C ATOM 163 C GLY A 130 8.760 4.925 -1.436 1.00 0.00 C ATOM 164 O GLY A 130 7.551 4.923 -1.656 1.00 0.00 O ATOM 0 H GLY A 130 11.592 6.361 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.008 6.916 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.141 5.755 -2.846 1.00 0.00 H new ATOM 168 N LEU A 131 9.374 3.957 -0.766 1.00 0.00 N ATOM 169 CA LEU A 131 8.644 2.809 -0.238 1.00 0.00 C ATOM 170 C LEU A 131 7.703 3.225 0.891 1.00 0.00 C ATOM 171 O LEU A 131 6.553 2.787 0.947 1.00 0.00 O ATOM 172 CB LEU A 131 9.621 1.747 0.268 1.00 0.00 C ATOM 173 CG LEU A 131 10.529 1.129 -0.799 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.514 0.160 -0.162 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.702 0.424 -1.863 1.00 0.00 C ATOM 0 H LEU A 131 10.376 3.943 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 131 8.046 2.392 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.248 2.193 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.050 0.949 0.742 1.00 0.00 H new ATOM 0 HG LEU A 131 11.092 1.931 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.152 -0.270 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.130 0.692 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.967 -0.636 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.365 -0.008 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.112 -0.367 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.035 1.142 -2.340 1.00 0.00 H new ATOM 187 N GLU A 132 8.204 4.062 1.793 1.00 0.00 N ATOM 188 CA GLU A 132 7.418 4.529 2.931 1.00 0.00 C ATOM 189 C GLU A 132 6.202 5.338 2.484 1.00 0.00 C ATOM 190 O GLU A 132 5.091 5.115 2.967 1.00 0.00 O ATOM 191 CB GLU A 132 8.288 5.377 3.862 1.00 0.00 C ATOM 192 CG GLU A 132 9.466 4.619 4.452 1.00 0.00 C ATOM 193 CD GLU A 132 9.033 3.438 5.298 1.00 0.00 C ATOM 194 OE1 GLU A 132 8.315 3.654 6.297 1.00 0.00 O ATOM 195 OE2 GLU A 132 9.413 2.296 4.963 1.00 0.00 O ATOM 0 H GLU A 132 9.154 4.432 1.758 1.00 0.00 H new ATOM 0 HA GLU A 132 7.060 3.649 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.661 6.240 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.670 5.760 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.108 4.267 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.063 5.298 5.061 1.00 0.00 H new ATOM 202 N LYS A 133 6.415 6.282 1.573 1.00 0.00 N ATOM 203 CA LYS A 133 5.328 7.125 1.081 1.00 0.00 C ATOM 204 C LYS A 133 4.237 6.293 0.407 1.00 0.00 C ATOM 205 O LYS A 133 3.047 6.536 0.613 1.00 0.00 O ATOM 206 CB LYS A 133 5.860 8.185 0.112 1.00 0.00 C ATOM 207 CG LYS A 133 6.527 7.609 -1.126 1.00 0.00 C ATOM 208 CD LYS A 133 7.051 8.704 -2.045 1.00 0.00 C ATOM 209 CE LYS A 133 5.927 9.590 -2.562 1.00 0.00 C ATOM 210 NZ LYS A 133 6.435 10.662 -3.462 1.00 0.00 N ATOM 0 H LYS A 133 7.326 6.483 1.161 1.00 0.00 H new ATOM 0 HA LYS A 133 4.887 7.627 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 133 5.035 8.827 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.576 8.817 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.350 6.960 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.813 6.989 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.777 9.314 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.575 8.252 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 133 5.201 8.979 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 133 5.403 10.041 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 5.639 11.244 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 7.109 11.260 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.912 10.232 -4.280 1.00 0.00 H new ATOM 224 N GLN A 134 4.644 5.315 -0.398 1.00 0.00 N ATOM 225 CA GLN A 134 3.692 4.457 -1.096 1.00 0.00 C ATOM 226 C GLN A 134 2.784 3.728 -0.112 1.00 0.00 C ATOM 227 O GLN A 134 1.561 3.766 -0.240 1.00 0.00 O ATOM 228 CB GLN A 134 4.429 3.438 -1.969 1.00 0.00 C ATOM 229 CG GLN A 134 5.166 4.057 -3.145 1.00 0.00 C ATOM 230 CD GLN A 134 4.231 4.731 -4.131 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.352 4.091 -4.709 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.417 6.031 -4.330 1.00 0.00 N ATOM 0 H GLN A 134 5.623 5.098 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 134 3.075 5.094 -1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.143 2.893 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.711 2.709 -2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.885 4.788 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.735 3.283 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.158 6.523 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.819 6.538 -4.983 1.00 0.00 H new ATOM 241 N LEU A 135 3.391 3.062 0.865 1.00 0.00 N ATOM 242 CA LEU A 135 2.640 2.315 1.867 1.00 0.00 C ATOM 243 C LEU A 135 1.568 3.185 2.511 1.00 0.00 C ATOM 244 O LEU A 135 0.436 2.747 2.711 1.00 0.00 O ATOM 245 CB LEU A 135 3.585 1.769 2.940 1.00 0.00 C ATOM 246 CG LEU A 135 2.925 0.883 4.000 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.336 -0.367 3.363 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.927 0.510 5.082 1.00 0.00 C ATOM 0 H LEU A 135 4.403 3.025 0.984 1.00 0.00 H new ATOM 0 HA LEU A 135 2.148 1.481 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.373 1.197 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 135 4.066 2.610 3.440 1.00 0.00 H new ATOM 0 HG LEU A 135 2.114 1.446 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.872 -0.983 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.586 -0.081 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.128 -0.934 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.441 -0.120 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.760 -0.033 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.300 1.416 5.560 1.00 0.00 H new ATOM 260 N ALA A 136 1.934 4.419 2.829 1.00 0.00 N ATOM 261 CA ALA A 136 1.007 5.358 3.450 1.00 0.00 C ATOM 262 C ALA A 136 -0.217 5.591 2.568 1.00 0.00 C ATOM 263 O ALA A 136 -1.341 5.670 3.063 1.00 0.00 O ATOM 264 CB ALA A 136 1.707 6.677 3.739 1.00 0.00 C ATOM 0 H ALA A 136 2.868 4.795 2.667 1.00 0.00 H new ATOM 0 HA ALA A 136 0.667 4.924 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.003 7.368 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.544 6.504 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.076 7.105 2.807 1.00 0.00 H new ATOM 270 N ILE A 137 0.011 5.707 1.264 1.00 0.00 N ATOM 271 CA ILE A 137 -1.073 5.940 0.314 1.00 0.00 C ATOM 272 C ILE A 137 -2.102 4.812 0.348 1.00 0.00 C ATOM 273 O ILE A 137 -3.301 5.061 0.472 1.00 0.00 O ATOM 274 CB ILE A 137 -0.536 6.088 -1.123 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.450 7.258 -1.201 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.686 6.289 -2.101 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.073 7.439 -2.569 1.00 0.00 C ATOM 0 H ILE A 137 0.936 5.644 0.840 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.556 6.870 0.615 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.010 5.173 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.067 8.176 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.242 7.103 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.290 6.392 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.354 5.429 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.238 7.190 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.759 8.286 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.619 6.536 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.290 7.626 -3.304 1.00 0.00 H new ATOM 289 N GLU A 138 -1.631 3.574 0.232 1.00 0.00 N ATOM 290 CA GLU A 138 -2.519 2.414 0.245 1.00 0.00 C ATOM 291 C GLU A 138 -3.300 2.313 1.551 1.00 0.00 C ATOM 292 O GLU A 138 -4.465 1.927 1.551 1.00 0.00 O ATOM 293 CB GLU A 138 -1.735 1.124 0.008 1.00 0.00 C ATOM 294 CG GLU A 138 -1.449 0.841 -1.459 1.00 0.00 C ATOM 295 CD GLU A 138 -0.530 1.865 -2.093 1.00 0.00 C ATOM 296 OE1 GLU A 138 0.645 1.944 -1.680 1.00 0.00 O ATOM 297 OE2 GLU A 138 -0.985 2.589 -3.003 1.00 0.00 O ATOM 0 H GLU A 138 -0.642 3.347 0.128 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.233 2.551 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.790 1.179 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.294 0.288 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.000 -0.148 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -2.390 0.816 -2.008 1.00 0.00 H new ATOM 304 N LEU A 139 -2.655 2.653 2.662 1.00 0.00 N ATOM 305 CA LEU A 139 -3.309 2.589 3.967 1.00 0.00 C ATOM 306 C LEU A 139 -4.539 3.492 4.009 1.00 0.00 C ATOM 307 O LEU A 139 -5.597 3.093 4.495 1.00 0.00 O ATOM 308 CB LEU A 139 -2.329 2.987 5.074 1.00 0.00 C ATOM 309 CG LEU A 139 -1.117 2.067 5.224 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.161 2.608 6.277 1.00 0.00 C ATOM 311 CD2 LEU A 139 -1.558 0.654 5.581 1.00 0.00 C ATOM 0 H LEU A 139 -1.687 2.974 2.687 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.633 1.561 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.976 4.000 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -2.866 3.013 6.022 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.593 2.033 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.695 1.939 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.183 3.599 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.675 2.673 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.681 0.014 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.107 0.671 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.202 0.264 4.793 1.00 0.00 H new ATOM 323 N LYS A 140 -4.389 4.709 3.497 1.00 0.00 N ATOM 324 CA LYS A 140 -5.485 5.674 3.477 1.00 0.00 C ATOM 325 C LYS A 140 -6.598 5.234 2.526 1.00 0.00 C ATOM 326 O LYS A 140 -7.777 5.278 2.876 1.00 0.00 O ATOM 327 CB LYS A 140 -4.967 7.053 3.064 1.00 0.00 C ATOM 328 CG LYS A 140 -3.871 7.591 3.971 1.00 0.00 C ATOM 329 CD LYS A 140 -3.375 8.947 3.498 1.00 0.00 C ATOM 330 CE LYS A 140 -2.245 9.464 4.374 1.00 0.00 C ATOM 331 NZ LYS A 140 -2.658 9.595 5.797 1.00 0.00 N ATOM 0 H LYS A 140 -3.519 5.052 3.090 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.899 5.728 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.588 6.998 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.799 7.757 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.249 7.675 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.040 6.887 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -3.031 8.870 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.199 9.660 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -1.394 8.787 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.913 10.433 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.938 10.135 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.570 10.093 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.755 8.649 6.219 1.00 0.00 H new ATOM 345 N VAL A 141 -6.216 4.820 1.321 1.00 0.00 N ATOM 346 CA VAL A 141 -7.183 4.382 0.317 1.00 0.00 C ATOM 347 C VAL A 141 -7.948 3.146 0.780 1.00 0.00 C ATOM 348 O VAL A 141 -9.172 3.082 0.665 1.00 0.00 O ATOM 349 CB VAL A 141 -6.496 4.073 -1.028 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.521 3.660 -2.073 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.692 5.272 -1.507 1.00 0.00 C ATOM 0 H VAL A 141 -5.244 4.778 1.015 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.885 5.205 0.180 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.809 3.240 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.015 3.447 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.047 2.768 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.236 4.469 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.215 5.034 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.356 6.126 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -4.928 5.516 -0.769 1.00 0.00 H new ATOM 361 N LYS A 142 -7.218 2.166 1.300 1.00 0.00 N ATOM 362 CA LYS A 142 -7.822 0.926 1.778 1.00 0.00 C ATOM 363 C LYS A 142 -8.773 1.199 2.938 1.00 0.00 C ATOM 364 O LYS A 142 -9.889 0.682 2.971 1.00 0.00 O ATOM 365 CB LYS A 142 -6.734 -0.060 2.210 1.00 0.00 C ATOM 366 CG LYS A 142 -7.272 -1.402 2.680 1.00 0.00 C ATOM 367 CD LYS A 142 -6.143 -2.355 3.038 1.00 0.00 C ATOM 368 CE LYS A 142 -6.673 -3.708 3.481 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.516 -3.601 4.702 1.00 0.00 N ATOM 0 H LYS A 142 -6.204 2.206 1.402 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.394 0.487 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.054 -0.225 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.149 0.388 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.915 -1.255 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.889 -1.843 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.488 -2.484 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.539 -1.921 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.257 -4.151 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.837 -4.380 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.155 -4.249 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.485 -2.625 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.498 -3.854 4.469 1.00 0.00 H new ATOM 383 N GLN A 143 -8.324 2.015 3.887 1.00 0.00 N ATOM 384 CA GLN A 143 -9.137 2.357 5.050 1.00 0.00 C ATOM 385 C GLN A 143 -10.427 3.055 4.626 1.00 0.00 C ATOM 386 O GLN A 143 -11.510 2.727 5.112 1.00 0.00 O ATOM 387 CB GLN A 143 -8.345 3.258 5.999 1.00 0.00 C ATOM 388 CG GLN A 143 -9.110 3.647 7.255 1.00 0.00 C ATOM 389 CD GLN A 143 -8.327 4.575 8.169 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.108 4.927 7.771 1.00 0.00 O flip ATOM 391 NE2 GLN A 143 -8.817 4.977 9.225 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.402 2.452 3.874 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.398 1.433 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.426 2.748 6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.053 4.164 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.043 4.132 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.375 2.744 7.805 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -9.756 4.684 9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.284 5.603 9.829 1.00 0.00 H new ATOM 400 N GLY A 144 -10.300 4.018 3.719 1.00 0.00 N ATOM 401 CA GLY A 144 -11.457 4.753 3.241 1.00 0.00 C ATOM 402 C GLY A 144 -12.434 3.876 2.484 1.00 0.00 C ATOM 403 O GLY A 144 -13.650 4.014 2.635 1.00 0.00 O ATOM 0 H GLY A 144 -9.413 4.304 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.967 5.211 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.125 5.564 2.593 1.00 0.00 H new ATOM 407 N ALA A 145 -11.905 2.967 1.671 1.00 0.00 N ATOM 408 CA ALA A 145 -12.737 2.063 0.891 1.00 0.00 C ATOM 409 C ALA A 145 -13.504 1.127 1.810 1.00 0.00 C ATOM 410 O ALA A 145 -14.690 0.872 1.608 1.00 0.00 O ATOM 411 CB ALA A 145 -11.884 1.270 -0.091 1.00 0.00 C ATOM 0 H ALA A 145 -10.902 2.838 1.536 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.455 2.654 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.521 0.599 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.375 1.956 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.145 0.687 0.458 1.00 0.00 H new ATOM 417 N GLU A 146 -12.816 0.629 2.830 1.00 0.00 N ATOM 418 CA GLU A 146 -13.428 -0.275 3.800 1.00 0.00 C ATOM 419 C GLU A 146 -14.544 0.429 4.562 1.00 0.00 C ATOM 420 O GLU A 146 -15.598 -0.155 4.815 1.00 0.00 O ATOM 421 CB GLU A 146 -12.379 -0.805 4.780 1.00 0.00 C ATOM 422 CG GLU A 146 -11.338 -1.700 4.129 1.00 0.00 C ATOM 423 CD GLU A 146 -10.324 -2.231 5.124 1.00 0.00 C ATOM 424 OE1 GLU A 146 -9.612 -1.411 5.741 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.246 -3.466 5.289 1.00 0.00 O ATOM 0 H GLU A 146 -11.833 0.835 3.008 1.00 0.00 H new ATOM 0 HA GLU A 146 -13.854 -1.117 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -11.876 0.039 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -12.881 -1.361 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.837 -2.538 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -10.819 -1.141 3.350 1.00 0.00 H new ATOM 432 N ASN A 147 -14.307 1.687 4.921 1.00 0.00 N ATOM 433 CA ASN A 147 -15.295 2.473 5.649 1.00 0.00 C ATOM 434 C ASN A 147 -16.605 2.527 4.869 1.00 0.00 C ATOM 435 O ASN A 147 -17.685 2.343 5.434 1.00 0.00 O ATOM 436 CB ASN A 147 -14.766 3.891 5.892 1.00 0.00 C ATOM 437 CG ASN A 147 -15.674 4.729 6.778 1.00 0.00 C ATOM 438 OD1 ASN A 147 -16.736 4.125 7.302 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -15.415 5.914 6.997 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.439 2.183 4.719 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.481 1.997 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -13.779 3.829 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.641 4.394 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -14.590 6.342 6.576 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -16.025 6.467 7.599 1.00 0.00 H new ATOM 446 N MET A 148 -16.500 2.772 3.567 1.00 0.00 N ATOM 447 CA MET A 148 -17.672 2.842 2.700 1.00 0.00 C ATOM 448 C MET A 148 -18.331 1.472 2.559 1.00 0.00 C ATOM 449 O MET A 148 -19.554 1.359 2.586 1.00 0.00 O ATOM 450 CB MET A 148 -17.285 3.376 1.320 1.00 0.00 C ATOM 451 CG MET A 148 -16.720 4.786 1.346 1.00 0.00 C ATOM 452 SD MET A 148 -16.245 5.376 -0.291 1.00 0.00 S ATOM 453 CE MET A 148 -17.816 5.304 -1.150 1.00 0.00 C ATOM 0 H MET A 148 -15.613 2.926 3.088 1.00 0.00 H new ATOM 0 HA MET A 148 -18.387 3.525 3.159 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.548 2.707 0.875 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.163 3.358 0.674 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.462 5.462 1.770 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.851 4.813 2.004 1.00 0.00 H new ATOM 0 HE1 MET A 148 -17.780 5.949 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.014 4.278 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.610 5.641 -0.484 1.00 0.00 H new ATOM 463 N ILE A 149 -17.512 0.436 2.403 1.00 0.00 N ATOM 464 CA ILE A 149 -18.020 -0.924 2.251 1.00 0.00 C ATOM 465 C ILE A 149 -18.871 -1.335 3.449 1.00 0.00 C ATOM 466 O ILE A 149 -19.940 -1.923 3.288 1.00 0.00 O ATOM 467 CB ILE A 149 -16.872 -1.940 2.076 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.091 -1.642 0.793 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.417 -3.362 2.053 1.00 0.00 C ATOM 470 CD1 ILE A 149 -14.871 -2.518 0.605 1.00 0.00 C ATOM 0 H ILE A 149 -16.495 0.512 2.379 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.638 -0.928 1.353 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.193 -1.848 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.754 -1.769 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.779 -0.598 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -16.594 -4.065 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -17.933 -3.569 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.115 -3.471 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.369 -2.249 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.187 -2.374 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.177 -3.563 0.563 1.00 0.00 H new ATOM 482 N GLN A 150 -18.390 -1.027 4.648 1.00 0.00 N ATOM 483 CA GLN A 150 -19.107 -1.371 5.872 1.00 0.00 C ATOM 484 C GLN A 150 -20.442 -0.635 5.963 1.00 0.00 C ATOM 485 O GLN A 150 -21.468 -1.231 6.288 1.00 0.00 O ATOM 486 CB GLN A 150 -18.253 -1.041 7.096 1.00 0.00 C ATOM 487 CG GLN A 150 -16.933 -1.794 7.142 1.00 0.00 C ATOM 488 CD GLN A 150 -16.106 -1.440 8.361 1.00 0.00 C ATOM 489 OE1 GLN A 150 -15.736 -0.282 8.560 1.00 0.00 O ATOM 490 NE2 GLN A 150 -15.810 -2.438 9.186 1.00 0.00 N ATOM 0 H GLN A 150 -17.507 -0.540 4.800 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.309 -2.442 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.051 0.030 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.822 -1.268 7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.130 -2.866 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.360 -1.572 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -16.137 -3.382 8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -15.255 -2.260 10.023 1.00 0.00 H new ATOM 499 N THR A 151 -20.416 0.665 5.686 1.00 0.00 N ATOM 500 CA THR A 151 -21.621 1.488 5.749 1.00 0.00 C ATOM 501 C THR A 151 -22.675 1.040 4.739 1.00 0.00 C ATOM 502 O THR A 151 -23.841 0.853 5.086 1.00 0.00 O ATOM 503 CB THR A 151 -21.295 2.972 5.497 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.459 3.476 6.547 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.567 3.805 5.406 1.00 0.00 C ATOM 0 H THR A 151 -19.573 1.172 5.415 1.00 0.00 H new ATOM 0 HA THR A 151 -22.022 1.364 6.755 1.00 0.00 H new ATOM 0 HB THR A 151 -20.768 3.046 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.527 3.232 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.307 4.848 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.183 3.439 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.122 3.724 6.340 1.00 0.00 H new ATOM 513 N TYR A 152 -22.262 0.891 3.487 1.00 0.00 N ATOM 514 CA TYR A 152 -23.171 0.489 2.420 1.00 0.00 C ATOM 515 C TYR A 152 -23.700 -0.926 2.631 1.00 0.00 C ATOM 516 O TYR A 152 -24.890 -1.184 2.449 1.00 0.00 O ATOM 517 CB TYR A 152 -22.472 0.596 1.061 1.00 0.00 C ATOM 518 CG TYR A 152 -22.210 2.021 0.608 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.841 3.014 1.512 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.334 2.371 -0.729 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.605 4.308 1.094 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.098 3.664 -1.154 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.734 4.628 -0.239 1.00 0.00 C ATOM 524 OH TYR A 152 -21.500 5.917 -0.660 1.00 0.00 O ATOM 0 H TYR A 152 -21.300 1.043 3.184 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.024 1.167 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.523 0.062 1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.082 0.094 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.738 2.767 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.620 1.619 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.321 5.066 1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.198 3.918 -2.199 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.633 5.974 -1.629 1.00 0.00 H new ATOM 649 N LYS A 161 -24.932 0.749 -6.465 1.00 0.00 N ATOM 650 CA LYS A 161 -23.882 0.844 -7.474 1.00 0.00 C ATOM 651 C LYS A 161 -22.549 1.233 -6.844 1.00 0.00 C ATOM 652 O LYS A 161 -21.520 0.610 -7.112 1.00 0.00 O ATOM 653 CB LYS A 161 -24.270 1.868 -8.543 1.00 0.00 C ATOM 654 CG LYS A 161 -25.590 1.560 -9.232 1.00 0.00 C ATOM 655 CD LYS A 161 -25.940 2.619 -10.265 1.00 0.00 C ATOM 656 CE LYS A 161 -27.287 2.341 -10.912 1.00 0.00 C ATOM 657 NZ LYS A 161 -28.390 2.323 -9.912 1.00 0.00 N ATOM 0 HA LYS A 161 -23.769 -0.136 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -24.331 2.855 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -23.481 1.914 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -25.531 0.585 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -26.384 1.499 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.959 3.600 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -25.166 2.651 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -27.492 3.102 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -27.250 1.382 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -29.304 2.403 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -28.360 1.431 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -28.278 3.123 -9.257 1.00 0.00 H new ATOM 671 N LEU A 162 -22.573 2.262 -6.004 1.00 0.00 N ATOM 672 CA LEU A 162 -21.363 2.725 -5.337 1.00 0.00 C ATOM 673 C LEU A 162 -20.764 1.620 -4.474 1.00 0.00 C ATOM 674 O LEU A 162 -19.544 1.486 -4.387 1.00 0.00 O ATOM 675 CB LEU A 162 -21.654 3.964 -4.488 1.00 0.00 C ATOM 676 CG LEU A 162 -22.107 5.199 -5.271 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.384 6.356 -4.323 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.061 5.597 -6.304 1.00 0.00 C ATOM 0 H LEU A 162 -23.414 2.789 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.637 2.994 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.425 3.713 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.755 4.219 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.029 4.951 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -22.705 7.226 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.169 6.072 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.476 6.599 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.404 6.477 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.121 5.825 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -20.908 4.774 -7.003 1.00 0.00 H new ATOM 690 N LEU A 163 -21.626 0.824 -3.844 1.00 0.00 N ATOM 691 CA LEU A 163 -21.172 -0.277 -2.999 1.00 0.00 C ATOM 692 C LEU A 163 -20.265 -1.213 -3.787 1.00 0.00 C ATOM 693 O LEU A 163 -19.209 -1.625 -3.306 1.00 0.00 O ATOM 694 CB LEU A 163 -22.366 -1.054 -2.435 1.00 0.00 C ATOM 695 CG LEU A 163 -22.015 -2.344 -1.687 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.114 -2.051 -0.497 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.281 -3.056 -1.237 1.00 0.00 C ATOM 0 H LEU A 163 -22.640 0.921 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.607 0.143 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.917 -0.400 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -23.038 -1.302 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.472 -2.999 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.878 -2.982 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.192 -1.585 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.625 -1.376 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -23.015 -3.971 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.849 -2.404 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.888 -3.304 -2.108 1.00 0.00 H new ATOM 709 N LEU A 164 -20.681 -1.538 -5.008 1.00 0.00 N ATOM 710 CA LEU A 164 -19.901 -2.416 -5.869 1.00 0.00 C ATOM 711 C LEU A 164 -18.534 -1.804 -6.156 1.00 0.00 C ATOM 712 O LEU A 164 -17.510 -2.487 -6.111 1.00 0.00 O ATOM 713 CB LEU A 164 -20.648 -2.672 -7.181 1.00 0.00 C ATOM 714 CG LEU A 164 -22.021 -3.331 -7.029 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.692 -3.482 -8.385 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.894 -4.684 -6.343 1.00 0.00 C ATOM 0 H LEU A 164 -21.553 -1.206 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.757 -3.366 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.774 -1.722 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -20.028 -3.304 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.643 -2.688 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.667 -3.952 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.819 -2.499 -8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -22.071 -4.103 -9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.881 -5.136 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -21.254 -5.335 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -21.456 -4.551 -5.354 1.00 0.00 H new ATOM 728 N THR A 165 -18.527 -0.505 -6.446 1.00 0.00 N ATOM 729 CA THR A 165 -17.291 0.213 -6.736 1.00 0.00 C ATOM 730 C THR A 165 -16.351 0.193 -5.535 1.00 0.00 C ATOM 731 O THR A 165 -15.141 0.021 -5.684 1.00 0.00 O ATOM 732 CB THR A 165 -17.573 1.676 -7.128 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.447 1.722 -8.262 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.278 2.410 -7.454 1.00 0.00 C ATOM 0 H THR A 165 -19.367 0.072 -6.486 1.00 0.00 H new ATOM 0 HA THR A 165 -16.816 -0.296 -7.575 1.00 0.00 H new ATOM 0 HB THR A 165 -18.050 2.168 -6.280 1.00 0.00 H new ATOM 0 HG1 THR A 165 -18.622 2.656 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.503 3.441 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.625 2.401 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.778 1.914 -8.286 1.00 0.00 H new ATOM 742 N ALA A 166 -16.915 0.376 -4.344 1.00 0.00 N ATOM 743 CA ALA A 166 -16.132 0.383 -3.114 1.00 0.00 C ATOM 744 C ALA A 166 -15.390 -0.936 -2.931 1.00 0.00 C ATOM 745 O ALA A 166 -14.218 -0.952 -2.555 1.00 0.00 O ATOM 746 CB ALA A 166 -17.032 0.662 -1.918 1.00 0.00 C ATOM 0 H ALA A 166 -17.915 0.522 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.390 1.178 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.435 0.664 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.510 1.634 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.796 -0.112 -1.849 1.00 0.00 H new ATOM 752 N GLN A 167 -16.079 -2.038 -3.211 1.00 0.00 N ATOM 753 CA GLN A 167 -15.486 -3.363 -3.091 1.00 0.00 C ATOM 754 C GLN A 167 -14.270 -3.475 -4.000 1.00 0.00 C ATOM 755 O GLN A 167 -13.218 -3.966 -3.592 1.00 0.00 O ATOM 756 CB GLN A 167 -16.513 -4.438 -3.450 1.00 0.00 C ATOM 757 CG GLN A 167 -17.755 -4.406 -2.574 1.00 0.00 C ATOM 758 CD GLN A 167 -18.760 -5.479 -2.946 1.00 0.00 C ATOM 759 OE1 GLN A 167 -19.247 -5.525 -4.076 1.00 0.00 O ATOM 760 NE2 GLN A 167 -19.078 -6.348 -1.994 1.00 0.00 N ATOM 0 H GLN A 167 -17.050 -2.038 -3.523 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.170 -3.513 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.809 -4.313 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -16.045 -5.419 -3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.463 -4.533 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.227 -3.427 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.650 -6.273 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -19.750 -7.091 -2.185 1.00 0.00 H new ATOM 769 N GLN A 168 -14.423 -2.997 -5.233 1.00 0.00 N ATOM 770 CA GLN A 168 -13.335 -3.023 -6.201 1.00 0.00 C ATOM 771 C GLN A 168 -12.169 -2.181 -5.696 1.00 0.00 C ATOM 772 O GLN A 168 -11.006 -2.537 -5.880 1.00 0.00 O ATOM 773 CB GLN A 168 -13.815 -2.502 -7.558 1.00 0.00 C ATOM 774 CG GLN A 168 -12.737 -2.510 -8.635 1.00 0.00 C ATOM 775 CD GLN A 168 -12.279 -3.908 -9.023 1.00 0.00 C ATOM 776 OE1 GLN A 168 -12.930 -4.933 -8.479 1.00 0.00 O flip ATOM 777 NE2 GLN A 168 -11.353 -4.065 -9.818 1.00 0.00 N flip ATOM 0 H GLN A 168 -15.290 -2.588 -5.583 1.00 0.00 H new ATOM 0 HA GLN A 168 -13.001 -4.053 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.655 -3.110 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.186 -1.484 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -13.116 -2.001 -9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.878 -1.939 -8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.878 -3.254 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -11.061 -5.006 -10.081 1.00 0.00 H new ATOM 786 N MET A 169 -12.498 -1.065 -5.049 1.00 0.00 N ATOM 787 CA MET A 169 -11.490 -0.168 -4.501 1.00 0.00 C ATOM 788 C MET A 169 -10.595 -0.900 -3.510 1.00 0.00 C ATOM 789 O MET A 169 -9.373 -0.753 -3.533 1.00 0.00 O ATOM 790 CB MET A 169 -12.160 1.026 -3.813 1.00 0.00 C ATOM 791 CG MET A 169 -12.845 1.985 -4.775 1.00 0.00 C ATOM 792 SD MET A 169 -11.767 3.329 -5.323 1.00 0.00 S ATOM 793 CE MET A 169 -10.391 2.421 -6.022 1.00 0.00 C ATOM 0 H MET A 169 -13.459 -0.762 -4.892 1.00 0.00 H new ATOM 0 HA MET A 169 -10.874 0.193 -5.324 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.895 0.656 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.409 1.573 -3.243 1.00 0.00 H new ATOM 0 HG2 MET A 169 -13.194 1.430 -5.645 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.726 2.408 -4.292 1.00 0.00 H new ATOM 0 HE1 MET A 169 -9.783 3.092 -6.629 1.00 0.00 H new ATOM 0 HE2 MET A 169 -9.782 2.007 -5.218 1.00 0.00 H new ATOM 0 HE3 MET A 169 -10.769 1.610 -6.645 1.00 0.00 H new ATOM 803 N LEU A 170 -11.214 -1.693 -2.641 1.00 0.00 N ATOM 804 CA LEU A 170 -10.471 -2.450 -1.641 1.00 0.00 C ATOM 805 C LEU A 170 -9.577 -3.498 -2.296 1.00 0.00 C ATOM 806 O LEU A 170 -8.443 -3.712 -1.873 1.00 0.00 O ATOM 807 CB LEU A 170 -11.428 -3.123 -0.652 1.00 0.00 C ATOM 808 CG LEU A 170 -10.753 -3.964 0.433 1.00 0.00 C ATOM 809 CD1 LEU A 170 -9.764 -3.126 1.226 1.00 0.00 C ATOM 810 CD2 LEU A 170 -11.792 -4.570 1.362 1.00 0.00 C ATOM 0 H LEU A 170 -12.225 -1.828 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.838 -1.749 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.030 -2.352 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.114 -3.760 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.208 -4.772 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.296 -3.744 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -8.998 -2.736 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.288 -2.296 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -11.293 -5.165 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.364 -3.773 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -12.465 -5.207 0.789 1.00 0.00 H new ATOM 822 N GLN A 171 -10.101 -4.153 -3.326 1.00 0.00 N ATOM 823 CA GLN A 171 -9.355 -5.187 -4.037 1.00 0.00 C ATOM 824 C GLN A 171 -8.060 -4.634 -4.629 1.00 0.00 C ATOM 825 O GLN A 171 -7.000 -5.248 -4.509 1.00 0.00 O ATOM 826 CB GLN A 171 -10.220 -5.786 -5.149 1.00 0.00 C ATOM 827 CG GLN A 171 -9.534 -6.899 -5.924 1.00 0.00 C ATOM 828 CD GLN A 171 -10.396 -7.440 -7.050 1.00 0.00 C ATOM 829 OE1 GLN A 171 -10.766 -6.711 -7.969 1.00 0.00 O ATOM 830 NE2 GLN A 171 -10.722 -8.726 -6.981 1.00 0.00 N ATOM 0 H GLN A 171 -11.040 -3.987 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.094 -5.965 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.141 -6.173 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.504 -4.994 -5.842 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.596 -6.526 -6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -9.282 -7.711 -5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -10.393 -9.294 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -11.301 -9.145 -7.709 1.00 0.00 H new ATOM 839 N ASP A 172 -8.157 -3.477 -5.279 1.00 0.00 N ATOM 840 CA ASP A 172 -6.996 -2.847 -5.901 1.00 0.00 C ATOM 841 C ASP A 172 -5.962 -2.423 -4.859 1.00 0.00 C ATOM 842 O ASP A 172 -4.766 -2.658 -5.028 1.00 0.00 O ATOM 843 CB ASP A 172 -7.437 -1.633 -6.725 1.00 0.00 C ATOM 844 CG ASP A 172 -6.287 -0.981 -7.469 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.346 -0.495 -6.807 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.328 -0.955 -8.718 1.00 0.00 O ATOM 0 H ASP A 172 -9.028 -2.957 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.529 -3.581 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.199 -1.942 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.899 -0.899 -6.065 1.00 0.00 H new ATOM 851 N SER A 173 -6.429 -1.786 -3.789 1.00 0.00 N ATOM 852 CA SER A 173 -5.541 -1.317 -2.727 1.00 0.00 C ATOM 853 C SER A 173 -4.767 -2.469 -2.092 1.00 0.00 C ATOM 854 O SER A 173 -3.554 -2.381 -1.902 1.00 0.00 O ATOM 855 CB SER A 173 -6.344 -0.579 -1.654 1.00 0.00 C ATOM 856 OG SER A 173 -7.306 -1.432 -1.058 1.00 0.00 O ATOM 0 H SER A 173 -7.416 -1.582 -3.633 1.00 0.00 H new ATOM 0 HA SER A 173 -4.821 -0.634 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 173 -5.668 -0.197 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.843 0.283 -2.097 1.00 0.00 H new ATOM 0 HG SER A 173 -7.583 -2.114 -1.704 1.00 0.00 H new ATOM 862 N LYS A 174 -5.474 -3.544 -1.757 1.00 0.00 N ATOM 863 CA LYS A 174 -4.852 -4.709 -1.133 1.00 0.00 C ATOM 864 C LYS A 174 -3.749 -5.294 -2.010 1.00 0.00 C ATOM 865 O LYS A 174 -2.684 -5.664 -1.514 1.00 0.00 O ATOM 866 CB LYS A 174 -5.906 -5.777 -0.836 1.00 0.00 C ATOM 867 CG LYS A 174 -6.927 -5.352 0.209 1.00 0.00 C ATOM 868 CD LYS A 174 -7.998 -6.414 0.415 1.00 0.00 C ATOM 869 CE LYS A 174 -7.406 -7.720 0.923 1.00 0.00 C ATOM 870 NZ LYS A 174 -6.712 -7.546 2.230 1.00 0.00 N ATOM 0 H LYS A 174 -6.479 -3.633 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.398 -4.380 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.427 -6.028 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.406 -6.684 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.421 -5.158 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.396 -4.418 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.739 -6.050 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.519 -6.592 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -8.199 -8.461 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.702 -8.110 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.502 -8.479 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -5.824 -7.024 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.325 -7.013 2.880 1.00 0.00 H new ATOM 884 N THR A 175 -4.008 -5.382 -3.311 1.00 0.00 N ATOM 885 CA THR A 175 -3.034 -5.929 -4.249 1.00 0.00 C ATOM 886 C THR A 175 -1.729 -5.137 -4.218 1.00 0.00 C ATOM 887 O THR A 175 -0.647 -5.711 -4.087 1.00 0.00 O ATOM 888 CB THR A 175 -3.582 -5.937 -5.689 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.777 -6.724 -5.752 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.552 -6.492 -6.663 1.00 0.00 C ATOM 0 H THR A 175 -4.884 -5.082 -3.739 1.00 0.00 H new ATOM 0 HA THR A 175 -2.839 -6.955 -3.936 1.00 0.00 H new ATOM 0 HB THR A 175 -3.806 -4.909 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.515 -6.232 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.965 -6.486 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.655 -5.874 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.298 -7.514 -6.381 1.00 0.00 H new ATOM 898 N LYS A 176 -1.838 -3.818 -4.337 1.00 0.00 N ATOM 899 CA LYS A 176 -0.668 -2.948 -4.325 1.00 0.00 C ATOM 900 C LYS A 176 0.135 -3.128 -3.040 1.00 0.00 C ATOM 901 O LYS A 176 1.366 -3.150 -3.066 1.00 0.00 O ATOM 902 CB LYS A 176 -1.091 -1.486 -4.477 1.00 0.00 C ATOM 903 CG LYS A 176 -1.840 -1.204 -5.770 1.00 0.00 C ATOM 904 CD LYS A 176 -2.237 0.261 -5.882 1.00 0.00 C ATOM 905 CE LYS A 176 -3.207 0.665 -4.782 1.00 0.00 C ATOM 906 NZ LYS A 176 -3.610 2.094 -4.896 1.00 0.00 N ATOM 0 H LYS A 176 -2.726 -3.328 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.034 -3.225 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.722 -1.209 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.205 -0.853 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.215 -1.478 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.733 -1.828 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -1.345 0.885 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -2.694 0.441 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -4.094 0.033 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.745 0.494 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -4.585 2.208 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -2.970 2.682 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -3.557 2.391 -5.891 1.00 0.00 H new ATOM 920 N ILE A 177 -0.568 -3.254 -1.920 1.00 0.00 N ATOM 921 CA ILE A 177 0.079 -3.432 -0.626 1.00 0.00 C ATOM 922 C ILE A 177 0.903 -4.714 -0.590 1.00 0.00 C ATOM 923 O ILE A 177 1.981 -4.749 -0.004 1.00 0.00 O ATOM 924 CB ILE A 177 -0.952 -3.462 0.520 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.747 -2.155 0.549 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.258 -3.698 1.856 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.838 -2.125 1.595 1.00 0.00 C ATOM 0 H ILE A 177 -1.587 -3.236 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 177 0.741 -2.577 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.645 -4.285 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.061 -1.328 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.193 -1.991 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -1.001 -3.716 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.269 -4.652 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.455 -2.895 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.356 -1.167 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.548 -2.930 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.398 -2.257 2.584 1.00 0.00 H new ATOM 939 N ASP A 178 0.383 -5.769 -1.210 1.00 0.00 N ATOM 940 CA ASP A 178 1.070 -7.055 -1.237 1.00 0.00 C ATOM 941 C ASP A 178 2.422 -6.950 -1.942 1.00 0.00 C ATOM 942 O ASP A 178 3.444 -7.387 -1.411 1.00 0.00 O ATOM 943 CB ASP A 178 0.198 -8.105 -1.932 1.00 0.00 C ATOM 944 CG ASP A 178 0.827 -9.485 -1.928 1.00 0.00 C ATOM 945 OD1 ASP A 178 1.920 -9.644 -2.512 1.00 0.00 O ATOM 946 OD2 ASP A 178 0.226 -10.409 -1.339 1.00 0.00 O ATOM 0 H ASP A 178 -0.511 -5.758 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 178 1.249 -7.360 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.772 -8.151 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.016 -7.796 -2.961 1.00 0.00 H new ATOM 951 N ILE A 179 2.423 -6.370 -3.141 1.00 0.00 N ATOM 952 CA ILE A 179 3.653 -6.218 -3.912 1.00 0.00 C ATOM 953 C ILE A 179 4.638 -5.285 -3.209 1.00 0.00 C ATOM 954 O ILE A 179 5.810 -5.625 -3.035 1.00 0.00 O ATOM 955 CB ILE A 179 3.375 -5.687 -5.340 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.730 -6.773 -6.211 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.659 -5.188 -5.987 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.333 -7.165 -5.783 1.00 0.00 C ATOM 0 H ILE A 179 1.589 -5.999 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 179 4.095 -7.211 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 179 2.679 -4.852 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.697 -6.423 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.364 -7.659 -6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.442 -4.819 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.079 -4.381 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 179 5.377 -6.006 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.951 -7.937 -6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.359 -7.548 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 179 0.681 -6.293 -5.826 1.00 0.00 H new ATOM 970 N ILE A 180 4.160 -4.112 -2.805 1.00 0.00 N ATOM 971 CA ILE A 180 5.006 -3.139 -2.124 1.00 0.00 C ATOM 972 C ILE A 180 5.589 -3.728 -0.843 1.00 0.00 C ATOM 973 O ILE A 180 6.771 -3.551 -0.551 1.00 0.00 O ATOM 974 CB ILE A 180 4.231 -1.847 -1.786 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.731 -1.179 -3.072 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.112 -0.893 -0.991 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.949 0.096 -2.833 1.00 0.00 C ATOM 0 H ILE A 180 3.194 -3.813 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 180 5.816 -2.888 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 180 3.368 -2.105 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.586 -0.956 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.102 -1.884 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.552 0.013 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.424 -1.373 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.993 -0.635 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.628 0.511 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.074 -0.123 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.581 0.819 -2.317 1.00 0.00 H new ATOM 989 N ARG A 181 4.754 -4.434 -0.086 1.00 0.00 N ATOM 990 CA ARG A 181 5.189 -5.053 1.161 1.00 0.00 C ATOM 991 C ARG A 181 6.397 -5.951 0.921 1.00 0.00 C ATOM 992 O ARG A 181 7.354 -5.938 1.695 1.00 0.00 O ATOM 993 CB ARG A 181 4.049 -5.869 1.777 1.00 0.00 C ATOM 994 CG ARG A 181 4.399 -6.501 3.115 1.00 0.00 C ATOM 995 CD ARG A 181 4.666 -5.449 4.179 1.00 0.00 C ATOM 996 NE ARG A 181 4.974 -6.046 5.475 1.00 0.00 N ATOM 997 CZ ARG A 181 5.196 -5.339 6.580 1.00 0.00 C ATOM 998 NH1 ARG A 181 5.137 -4.015 6.548 1.00 0.00 N ATOM 999 NH2 ARG A 181 5.476 -5.958 7.719 1.00 0.00 N ATOM 0 H ARG A 181 3.773 -4.591 -0.315 1.00 0.00 H new ATOM 0 HA ARG A 181 5.473 -4.261 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.181 -5.222 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 181 3.759 -6.655 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 181 3.582 -7.146 3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.279 -7.134 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 181 5.497 -4.818 3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.794 -4.802 4.276 1.00 0.00 H new ATOM 0 HE ARG A 181 5.022 -7.063 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 181 4.921 -3.535 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 181 5.308 -3.476 7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 181 5.521 -6.977 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 181 5.646 -5.415 8.566 1.00 0.00 H new ATOM 1013 N MET A 182 6.346 -6.725 -0.158 1.00 0.00 N ATOM 1014 CA MET A 182 7.439 -7.625 -0.505 1.00 0.00 C ATOM 1015 C MET A 182 8.735 -6.845 -0.701 1.00 0.00 C ATOM 1016 O MET A 182 9.792 -7.243 -0.207 1.00 0.00 O ATOM 1017 CB MET A 182 7.102 -8.408 -1.775 1.00 0.00 C ATOM 1018 CG MET A 182 8.186 -9.388 -2.194 1.00 0.00 C ATOM 1019 SD MET A 182 8.525 -10.633 -0.934 1.00 0.00 S ATOM 1020 CE MET A 182 6.919 -11.411 -0.783 1.00 0.00 C ATOM 0 H MET A 182 5.559 -6.747 -0.807 1.00 0.00 H new ATOM 0 HA MET A 182 7.576 -8.328 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.172 -8.954 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 182 6.926 -7.705 -2.589 1.00 0.00 H new ATOM 0 HG2 MET A 182 7.885 -9.884 -3.117 1.00 0.00 H new ATOM 0 HG3 MET A 182 9.102 -8.839 -2.412 1.00 0.00 H new ATOM 0 HE1 MET A 182 7.031 -12.389 -0.316 1.00 0.00 H new ATOM 0 HE2 MET A 182 6.269 -10.788 -0.169 1.00 0.00 H new ATOM 0 HE3 MET A 182 6.478 -11.530 -1.773 1.00 0.00 H new ATOM 1030 N GLN A 183 8.645 -5.731 -1.420 1.00 0.00 N ATOM 1031 CA GLN A 183 9.808 -4.890 -1.679 1.00 0.00 C ATOM 1032 C GLN A 183 10.385 -4.341 -0.377 1.00 0.00 C ATOM 1033 O GLN A 183 11.600 -4.205 -0.232 1.00 0.00 O ATOM 1034 CB GLN A 183 9.436 -3.737 -2.614 1.00 0.00 C ATOM 1035 CG GLN A 183 8.938 -4.195 -3.975 1.00 0.00 C ATOM 1036 CD GLN A 183 8.601 -3.038 -4.893 1.00 0.00 C ATOM 1037 OE1 GLN A 183 7.346 -2.969 -5.323 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 9.457 -2.214 -5.215 1.00 0.00 N flip ATOM 0 H GLN A 183 7.778 -5.389 -1.834 1.00 0.00 H new ATOM 0 HA GLN A 183 10.568 -5.505 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.665 -3.130 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.307 -3.096 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.699 -4.817 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 183 8.054 -4.818 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 183 10.410 -2.304 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 183 9.214 -1.441 -5.835 1.00 0.00 H new ATOM 1047 N LEU A 184 9.505 -4.028 0.570 1.00 0.00 N ATOM 1048 CA LEU A 184 9.924 -3.497 1.863 1.00 0.00 C ATOM 1049 C LEU A 184 10.644 -4.555 2.693 1.00 0.00 C ATOM 1050 O LEU A 184 11.652 -4.269 3.339 1.00 0.00 O ATOM 1051 CB LEU A 184 8.716 -2.955 2.637 1.00 0.00 C ATOM 1052 CG LEU A 184 8.347 -1.495 2.348 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.470 -0.567 2.787 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.035 -1.289 0.872 1.00 0.00 C ATOM 0 H LEU A 184 8.496 -4.133 0.466 1.00 0.00 H new ATOM 0 HA LEU A 184 10.622 -2.681 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 184 7.852 -3.581 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 184 8.915 -3.057 3.704 1.00 0.00 H new ATOM 0 HG LEU A 184 7.450 -1.255 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.193 0.466 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 184 9.642 -0.684 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.382 -0.817 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.777 -0.245 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.909 -1.552 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.196 -1.923 0.586 1.00 0.00 H new ATOM 1066 N ARG A 185 10.118 -5.776 2.678 1.00 0.00 N ATOM 1067 CA ARG A 185 10.708 -6.876 3.438 1.00 0.00 C ATOM 1068 C ARG A 185 12.159 -7.118 3.030 1.00 0.00 C ATOM 1069 O ARG A 185 13.049 -7.173 3.880 1.00 0.00 O ATOM 1070 CB ARG A 185 9.896 -8.157 3.237 1.00 0.00 C ATOM 1071 CG ARG A 185 8.461 -8.054 3.724 1.00 0.00 C ATOM 1072 CD ARG A 185 7.712 -9.361 3.522 1.00 0.00 C ATOM 1073 NE ARG A 185 8.321 -10.461 4.267 1.00 0.00 N ATOM 1074 CZ ARG A 185 7.877 -11.713 4.232 1.00 0.00 C ATOM 1075 NH1 ARG A 185 6.830 -12.030 3.481 1.00 0.00 N ATOM 1076 NH2 ARG A 185 8.482 -12.652 4.947 1.00 0.00 N ATOM 0 H ARG A 185 9.284 -6.030 2.148 1.00 0.00 H new ATOM 0 HA ARG A 185 10.690 -6.597 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 185 9.893 -8.412 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 185 10.390 -8.976 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 185 8.452 -7.787 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 185 7.950 -7.254 3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 185 6.676 -9.238 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 185 7.694 -9.608 2.461 1.00 0.00 H new ATOM 0 HE ARG A 185 9.134 -10.256 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 185 6.363 -11.312 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 185 6.492 -12.992 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 185 9.288 -12.413 5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 185 8.141 -13.613 4.920 1.00 0.00 H new ATOM 1090 N ARG A 186 12.389 -7.267 1.731 1.00 0.00 N ATOM 1091 CA ARG A 186 13.733 -7.507 1.215 1.00 0.00 C ATOM 1092 C ARG A 186 14.653 -6.324 1.503 1.00 0.00 C ATOM 1093 O ARG A 186 15.840 -6.502 1.778 1.00 0.00 O ATOM 1094 CB ARG A 186 13.685 -7.786 -0.291 1.00 0.00 C ATOM 1095 CG ARG A 186 13.105 -6.643 -1.108 1.00 0.00 C ATOM 1096 CD ARG A 186 13.041 -6.975 -2.594 1.00 0.00 C ATOM 1097 NE ARG A 186 12.088 -8.048 -2.890 1.00 0.00 N ATOM 1098 CZ ARG A 186 12.362 -9.347 -2.775 1.00 0.00 C ATOM 1099 NH1 ARG A 186 13.581 -9.749 -2.438 1.00 0.00 N ATOM 1100 NH2 ARG A 186 11.420 -10.247 -3.019 1.00 0.00 N ATOM 0 H ARG A 186 11.663 -7.226 1.015 1.00 0.00 H new ATOM 0 HA ARG A 186 14.137 -8.382 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 186 14.694 -7.997 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 186 13.092 -8.683 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 186 12.104 -6.411 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 186 13.712 -5.749 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 186 12.760 -6.081 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 186 14.032 -7.268 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 186 11.154 -7.783 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 186 14.315 -9.062 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 186 13.784 -10.745 -2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 186 10.486 -9.945 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 186 11.630 -11.241 -2.931 1.00 0.00 H new ATOM 1114 N ALA A 187 14.099 -5.117 1.433 1.00 0.00 N ATOM 1115 CA ALA A 187 14.868 -3.903 1.683 1.00 0.00 C ATOM 1116 C ALA A 187 15.406 -3.870 3.110 1.00 0.00 C ATOM 1117 O ALA A 187 16.567 -3.526 3.337 1.00 0.00 O ATOM 1118 CB ALA A 187 14.011 -2.676 1.415 1.00 0.00 C ATOM 0 H ALA A 187 13.118 -4.954 1.205 1.00 0.00 H new ATOM 0 HA ALA A 187 15.721 -3.899 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.595 -1.776 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.681 -2.682 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.141 -2.689 2.072 1.00 0.00 H new