USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 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 Single : A 133 LYS NZ :NH3+ 149:sc= -3.4! (180deg=-5.99!) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.474 F(o=-2.8!,f=-0.47) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= -0.0249 (180deg=-0.208) USER MOD Single : A 142 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.123) USER MOD Single : A 143 GLN : amide:sc=-0.00129 X(o=-0.0013,f=0) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.761 F(o=-6!,f=-0.76) USER MOD Single : A 148 MET CE :methyl -136:sc= -0.477 (180deg=-0.921) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 151 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 152 TYR OH : rot 30:sc= -0.466 USER MOD Single : A 161 LYS NZ :NH3+ -167:sc= -0.0355 (180deg=-0.267) USER MOD Single : A 165 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 167 GLN : amide:sc= -0.528 K(o=-0.53,f=-3.3!) USER MOD Single : A 168 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.091) USER MOD Single : A 169 MET CE :methyl -163:sc= -0.269 (180deg=-1.11) USER MOD Single : A 171 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.051) USER MOD Single : A 173 SER OG : rot -32:sc= 0.972 USER MOD Single : A 174 LYS NZ :NH3+ 148:sc= -3.31! (180deg=-5.78!) USER MOD Single : A 175 THR OG1 : rot 69:sc= 0.314 USER MOD Single : A 176 LYS NZ :NH3+ -137:sc= 0.388 (180deg=-0.323) USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 GLN : amide:sc= -0.524 K(o=-0.52,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.284 5.519 -0.338 1.00 0.00 N ATOM 112 CA ARG A 127 14.611 4.238 -0.527 1.00 0.00 C ATOM 113 C ARG A 127 13.617 3.964 0.601 1.00 0.00 C ATOM 114 O ARG A 127 12.475 3.578 0.352 1.00 0.00 O ATOM 115 CB ARG A 127 15.640 3.106 -0.604 1.00 0.00 C ATOM 116 CG ARG A 127 15.027 1.731 -0.821 1.00 0.00 C ATOM 117 CD ARG A 127 14.247 1.666 -2.126 1.00 0.00 C ATOM 118 NE ARG A 127 15.082 1.986 -3.280 1.00 0.00 N ATOM 119 CZ ARG A 127 14.637 1.992 -4.534 1.00 0.00 C ATOM 120 NH1 ARG A 127 13.373 1.687 -4.794 1.00 0.00 N ATOM 121 NH2 ARG A 127 15.457 2.302 -5.528 1.00 0.00 N ATOM 0 HA ARG A 127 14.057 4.284 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.336 3.315 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 127 16.221 3.093 0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.815 0.978 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.365 1.491 0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 127 13.828 0.667 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.408 2.361 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 127 16.062 2.218 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.739 1.447 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 127 13.035 1.692 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.430 2.536 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.115 2.306 -6.489 1.00 0.00 H new ATOM 135 N VAL A 128 14.061 4.165 1.837 1.00 0.00 N ATOM 136 CA VAL A 128 13.215 3.939 3.005 1.00 0.00 C ATOM 137 C VAL A 128 11.980 4.834 2.985 1.00 0.00 C ATOM 138 O VAL A 128 10.858 4.364 3.178 1.00 0.00 O ATOM 139 CB VAL A 128 13.995 4.194 4.311 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.065 4.144 5.513 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.126 3.189 4.462 1.00 0.00 C ATOM 0 H VAL A 128 15.004 4.485 2.057 1.00 0.00 H new ATOM 0 HA VAL A 128 12.898 2.897 2.967 1.00 0.00 H new ATOM 0 HB VAL A 128 14.429 5.193 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.636 4.326 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.295 4.908 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.596 3.162 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.665 3.384 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.715 2.180 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.810 3.281 3.618 1.00 0.00 H new ATOM 151 N ALA A 129 12.195 6.124 2.760 1.00 0.00 N ATOM 152 CA ALA A 129 11.103 7.088 2.725 1.00 0.00 C ATOM 153 C ALA A 129 10.098 6.751 1.629 1.00 0.00 C ATOM 154 O ALA A 129 8.890 6.868 1.830 1.00 0.00 O ATOM 155 CB ALA A 129 11.651 8.493 2.536 1.00 0.00 C ATOM 0 H ALA A 129 13.118 6.527 2.599 1.00 0.00 H new ATOM 0 HA ALA A 129 10.578 7.039 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.826 9.205 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.317 8.738 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.203 8.545 1.598 1.00 0.00 H new ATOM 161 N GLY A 130 10.601 6.332 0.473 1.00 0.00 N ATOM 162 CA GLY A 130 9.728 5.983 -0.633 1.00 0.00 C ATOM 163 C GLY A 130 8.805 4.828 -0.298 1.00 0.00 C ATOM 164 O GLY A 130 7.622 4.847 -0.638 1.00 0.00 O ATOM 0 H GLY A 130 11.597 6.228 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.132 6.852 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.333 5.721 -1.501 1.00 0.00 H new ATOM 168 N LEU A 131 9.348 3.817 0.366 1.00 0.00 N ATOM 169 CA LEU A 131 8.569 2.646 0.747 1.00 0.00 C ATOM 170 C LEU A 131 7.503 3.011 1.780 1.00 0.00 C ATOM 171 O LEU A 131 6.355 2.573 1.685 1.00 0.00 O ATOM 172 CB LEU A 131 9.492 1.562 1.308 1.00 0.00 C ATOM 173 CG LEU A 131 10.614 1.105 0.370 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.486 0.060 1.048 1.00 0.00 C ATOM 175 CD2 LEU A 131 10.042 0.554 -0.929 1.00 0.00 C ATOM 0 H LEU A 131 10.326 3.784 0.653 1.00 0.00 H new ATOM 0 HA LEU A 131 8.067 2.265 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.940 1.932 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.887 0.695 1.573 1.00 0.00 H new ATOM 0 HG LEU A 131 11.231 1.972 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.277 -0.252 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.930 0.485 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.877 -0.803 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.857 0.236 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.398 -0.298 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.461 1.329 -1.428 1.00 0.00 H new ATOM 187 N GLU A 132 7.897 3.807 2.771 1.00 0.00 N ATOM 188 CA GLU A 132 6.988 4.225 3.833 1.00 0.00 C ATOM 189 C GLU A 132 5.844 5.087 3.300 1.00 0.00 C ATOM 190 O GLU A 132 4.683 4.865 3.644 1.00 0.00 O ATOM 191 CB GLU A 132 7.752 4.991 4.915 1.00 0.00 C ATOM 192 CG GLU A 132 8.825 4.164 5.603 1.00 0.00 C ATOM 193 CD GLU A 132 9.560 4.941 6.679 1.00 0.00 C ATOM 194 OE1 GLU A 132 10.164 5.983 6.349 1.00 0.00 O ATOM 195 OE2 GLU A 132 9.529 4.510 7.850 1.00 0.00 O ATOM 0 H GLU A 132 8.844 4.176 2.860 1.00 0.00 H new ATOM 0 HA GLU A 132 6.554 3.322 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.214 5.871 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.045 5.348 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.368 3.280 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.541 3.814 4.860 1.00 0.00 H new ATOM 202 N LYS A 133 6.172 6.076 2.470 1.00 0.00 N ATOM 203 CA LYS A 133 5.156 6.965 1.913 1.00 0.00 C ATOM 204 C LYS A 133 4.099 6.174 1.149 1.00 0.00 C ATOM 205 O LYS A 133 2.904 6.448 1.267 1.00 0.00 O ATOM 206 CB LYS A 133 5.787 8.025 1.002 1.00 0.00 C ATOM 207 CG LYS A 133 6.497 7.453 -0.214 1.00 0.00 C ATOM 208 CD LYS A 133 7.034 8.548 -1.128 1.00 0.00 C ATOM 209 CE LYS A 133 5.915 9.285 -1.855 1.00 0.00 C ATOM 210 NZ LYS A 133 5.054 10.068 -0.924 1.00 0.00 N ATOM 0 H LYS A 133 7.125 6.280 2.171 1.00 0.00 H new ATOM 0 HA LYS A 133 4.672 7.474 2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 133 5.009 8.710 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.499 8.611 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.320 6.817 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.807 6.820 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.614 9.259 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.714 8.109 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 133 6.347 9.956 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 133 5.301 8.565 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.688 10.909 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 4.258 9.478 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.614 10.365 -0.100 1.00 0.00 H new ATOM 224 N GLN A 134 4.541 5.186 0.373 1.00 0.00 N ATOM 225 CA GLN A 134 3.620 4.356 -0.395 1.00 0.00 C ATOM 226 C GLN A 134 2.633 3.656 0.531 1.00 0.00 C ATOM 227 O GLN A 134 1.435 3.599 0.249 1.00 0.00 O ATOM 228 CB GLN A 134 4.389 3.320 -1.220 1.00 0.00 C ATOM 229 CG GLN A 134 5.276 3.926 -2.298 1.00 0.00 C ATOM 230 CD GLN A 134 4.497 4.626 -3.401 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.170 4.529 -3.361 1.00 0.00 O flip ATOM 232 NE2 GLN A 134 5.085 5.240 -4.291 1.00 0.00 N flip ATOM 0 H GLN A 134 5.525 4.943 0.261 1.00 0.00 H new ATOM 0 HA GLN A 134 3.065 5.003 -1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.006 2.721 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.676 2.641 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.959 4.640 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.888 3.139 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 134 6.104 5.292 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 134 4.554 5.697 -5.032 1.00 0.00 H new ATOM 241 N LEU A 135 3.145 3.125 1.638 1.00 0.00 N ATOM 242 CA LEU A 135 2.314 2.430 2.612 1.00 0.00 C ATOM 243 C LEU A 135 1.240 3.355 3.173 1.00 0.00 C ATOM 244 O LEU A 135 0.091 2.951 3.359 1.00 0.00 O ATOM 245 CB LEU A 135 3.183 1.888 3.748 1.00 0.00 C ATOM 246 CG LEU A 135 4.279 0.908 3.321 1.00 0.00 C ATOM 247 CD1 LEU A 135 5.109 0.480 4.522 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.675 -0.307 2.632 1.00 0.00 C ATOM 0 H LEU A 135 4.135 3.164 1.882 1.00 0.00 H new ATOM 0 HA LEU A 135 1.820 1.599 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.650 2.730 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.537 1.392 4.473 1.00 0.00 H new ATOM 0 HG LEU A 135 4.933 1.415 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.883 -0.216 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.574 1.356 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.465 -0.007 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.471 -0.991 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 135 2.997 -0.814 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.124 0.013 1.747 1.00 0.00 H new ATOM 260 N ALA A 136 1.624 4.597 3.440 1.00 0.00 N ATOM 261 CA ALA A 136 0.701 5.588 3.984 1.00 0.00 C ATOM 262 C ALA A 136 -0.470 5.829 3.036 1.00 0.00 C ATOM 263 O ALA A 136 -1.629 5.837 3.453 1.00 0.00 O ATOM 264 CB ALA A 136 1.432 6.892 4.262 1.00 0.00 C ATOM 0 H ALA A 136 2.571 4.944 3.288 1.00 0.00 H new ATOM 0 HA ALA A 136 0.302 5.199 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.732 7.622 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.230 6.715 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.859 7.275 3.335 1.00 0.00 H new ATOM 270 N ILE A 137 -0.159 6.022 1.757 1.00 0.00 N ATOM 271 CA ILE A 137 -1.185 6.260 0.748 1.00 0.00 C ATOM 272 C ILE A 137 -2.170 5.097 0.692 1.00 0.00 C ATOM 273 O ILE A 137 -3.373 5.296 0.529 1.00 0.00 O ATOM 274 CB ILE A 137 -0.563 6.466 -0.649 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.417 7.641 -0.626 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.652 6.698 -1.688 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.121 7.875 -1.946 1.00 0.00 C ATOM 0 H ILE A 137 0.795 6.018 1.396 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.714 7.169 1.035 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.015 5.564 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.122 8.546 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.164 7.464 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.196 6.841 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.315 5.833 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.226 7.586 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.799 8.723 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.689 6.985 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.383 8.085 -2.720 1.00 0.00 H new ATOM 289 N GLU A 138 -1.646 3.883 0.830 1.00 0.00 N ATOM 290 CA GLU A 138 -2.472 2.681 0.797 1.00 0.00 C ATOM 291 C GLU A 138 -3.526 2.705 1.898 1.00 0.00 C ATOM 292 O GLU A 138 -4.693 2.411 1.655 1.00 0.00 O ATOM 293 CB GLU A 138 -1.599 1.437 0.949 1.00 0.00 C ATOM 294 CG GLU A 138 -0.568 1.272 -0.153 1.00 0.00 C ATOM 295 CD GLU A 138 -1.194 1.093 -1.524 1.00 0.00 C ATOM 296 OE1 GLU A 138 -1.886 2.022 -1.991 1.00 0.00 O ATOM 297 OE2 GLU A 138 -0.992 0.021 -2.130 1.00 0.00 O ATOM 0 H GLU A 138 -0.651 3.706 0.966 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.981 2.652 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.086 1.480 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.240 0.555 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.084 2.145 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 138 0.060 0.409 0.070 1.00 0.00 H new ATOM 304 N LEU A 139 -3.103 3.049 3.110 1.00 0.00 N ATOM 305 CA LEU A 139 -4.011 3.105 4.251 1.00 0.00 C ATOM 306 C LEU A 139 -5.139 4.103 4.012 1.00 0.00 C ATOM 307 O LEU A 139 -6.287 3.851 4.373 1.00 0.00 O ATOM 308 CB LEU A 139 -3.244 3.475 5.522 1.00 0.00 C ATOM 309 CG LEU A 139 -2.149 2.486 5.929 1.00 0.00 C ATOM 310 CD1 LEU A 139 -1.445 2.960 7.191 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.734 1.096 6.134 1.00 0.00 C ATOM 0 H LEU A 139 -2.137 3.293 3.328 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.453 2.117 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.792 4.457 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.955 3.565 6.344 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.415 2.435 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.670 2.245 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.992 3.935 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.168 3.041 8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.941 0.406 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.488 1.131 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -3.192 0.754 5.206 1.00 0.00 H new ATOM 323 N LYS A 140 -4.805 5.238 3.406 1.00 0.00 N ATOM 324 CA LYS A 140 -5.794 6.274 3.125 1.00 0.00 C ATOM 325 C LYS A 140 -6.885 5.755 2.191 1.00 0.00 C ATOM 326 O LYS A 140 -8.075 5.952 2.441 1.00 0.00 O ATOM 327 CB LYS A 140 -5.116 7.497 2.505 1.00 0.00 C ATOM 328 CG LYS A 140 -6.075 8.639 2.198 1.00 0.00 C ATOM 329 CD LYS A 140 -5.361 9.814 1.547 1.00 0.00 C ATOM 330 CE LYS A 140 -4.323 10.427 2.476 1.00 0.00 C ATOM 331 NZ LYS A 140 -4.942 10.977 3.714 1.00 0.00 N ATOM 0 H LYS A 140 -3.859 5.464 3.100 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.259 6.560 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.343 7.856 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.616 7.196 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.866 8.283 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.554 8.970 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.877 9.482 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -6.091 10.573 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.584 9.672 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.791 11.221 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.251 11.573 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.774 11.548 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.234 10.194 4.333 1.00 0.00 H new ATOM 345 N VAL A 141 -6.472 5.102 1.109 1.00 0.00 N ATOM 346 CA VAL A 141 -7.414 4.564 0.131 1.00 0.00 C ATOM 347 C VAL A 141 -8.186 3.372 0.690 1.00 0.00 C ATOM 348 O VAL A 141 -9.407 3.293 0.553 1.00 0.00 O ATOM 349 CB VAL A 141 -6.693 4.133 -1.161 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.695 3.663 -2.205 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.842 5.271 -1.704 1.00 0.00 C ATOM 0 H VAL A 141 -5.491 4.932 0.887 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.117 5.365 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.034 3.298 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.165 3.363 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.256 2.814 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.383 4.475 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.341 4.947 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.478 6.128 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.096 5.554 -0.961 1.00 0.00 H new ATOM 361 N LYS A 142 -7.466 2.442 1.310 1.00 0.00 N ATOM 362 CA LYS A 142 -8.079 1.246 1.881 1.00 0.00 C ATOM 363 C LYS A 142 -9.134 1.610 2.921 1.00 0.00 C ATOM 364 O LYS A 142 -10.257 1.105 2.878 1.00 0.00 O ATOM 365 CB LYS A 142 -7.010 0.352 2.513 1.00 0.00 C ATOM 366 CG LYS A 142 -7.570 -0.910 3.150 1.00 0.00 C ATOM 367 CD LYS A 142 -6.470 -1.754 3.772 1.00 0.00 C ATOM 368 CE LYS A 142 -7.033 -2.998 4.442 1.00 0.00 C ATOM 369 NZ LYS A 142 -5.963 -3.832 5.054 1.00 0.00 N ATOM 0 H LYS A 142 -6.454 2.493 1.430 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.569 0.703 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.284 0.072 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.472 0.923 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.299 -0.641 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.098 -1.496 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.755 -2.046 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.925 -1.160 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.748 -2.704 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -7.579 -3.590 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -6.365 -4.739 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -5.215 -4.007 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.560 -3.333 5.873 1.00 0.00 H new ATOM 383 N GLN A 143 -8.769 2.486 3.851 1.00 0.00 N ATOM 384 CA GLN A 143 -9.691 2.912 4.898 1.00 0.00 C ATOM 385 C GLN A 143 -10.927 3.564 4.290 1.00 0.00 C ATOM 386 O GLN A 143 -12.052 3.293 4.708 1.00 0.00 O ATOM 387 CB GLN A 143 -9.000 3.883 5.858 1.00 0.00 C ATOM 388 CG GLN A 143 -9.872 4.303 7.031 1.00 0.00 C ATOM 389 CD GLN A 143 -9.151 5.225 7.995 1.00 0.00 C ATOM 390 OE1 GLN A 143 -8.116 4.867 8.558 1.00 0.00 O ATOM 391 NE2 GLN A 143 -9.699 6.418 8.194 1.00 0.00 N ATOM 0 H GLN A 143 -7.844 2.914 3.901 1.00 0.00 H new ATOM 0 HA GLN A 143 -10.003 2.030 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -8.091 3.418 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.696 4.772 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.764 4.803 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -10.207 3.414 7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.558 6.673 7.706 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -9.261 7.080 8.835 1.00 0.00 H new ATOM 400 N GLY A 144 -10.707 4.419 3.294 1.00 0.00 N ATOM 401 CA GLY A 144 -11.809 5.096 2.636 1.00 0.00 C ATOM 402 C GLY A 144 -12.807 4.125 2.036 1.00 0.00 C ATOM 403 O GLY A 144 -14.020 4.326 2.137 1.00 0.00 O ATOM 0 H GLY A 144 -9.783 4.654 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.318 5.739 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.418 5.743 1.851 1.00 0.00 H new ATOM 407 N ALA A 145 -12.297 3.063 1.420 1.00 0.00 N ATOM 408 CA ALA A 145 -13.151 2.053 0.812 1.00 0.00 C ATOM 409 C ALA A 145 -13.958 1.337 1.882 1.00 0.00 C ATOM 410 O ALA A 145 -15.146 1.067 1.707 1.00 0.00 O ATOM 411 CB ALA A 145 -12.316 1.059 0.018 1.00 0.00 C ATOM 0 H ALA A 145 -11.297 2.881 1.330 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.841 2.545 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.970 0.311 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.774 1.585 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.605 0.568 0.683 1.00 0.00 H new ATOM 417 N GLU A 146 -13.300 1.048 2.998 1.00 0.00 N ATOM 418 CA GLU A 146 -13.947 0.373 4.117 1.00 0.00 C ATOM 419 C GLU A 146 -15.074 1.230 4.676 1.00 0.00 C ATOM 420 O GLU A 146 -16.137 0.719 5.026 1.00 0.00 O ATOM 421 CB GLU A 146 -12.930 0.063 5.217 1.00 0.00 C ATOM 422 CG GLU A 146 -11.808 -0.858 4.768 1.00 0.00 C ATOM 423 CD GLU A 146 -10.815 -1.150 5.875 1.00 0.00 C ATOM 424 OE1 GLU A 146 -10.205 -0.189 6.392 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.645 -2.336 6.225 1.00 0.00 O ATOM 0 H GLU A 146 -12.317 1.271 3.153 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.366 -0.565 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.499 0.998 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.448 -0.394 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.234 -1.796 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.285 -0.404 3.926 1.00 0.00 H new ATOM 432 N ASN A 147 -14.836 2.537 4.754 1.00 0.00 N ATOM 433 CA ASN A 147 -15.836 3.464 5.268 1.00 0.00 C ATOM 434 C ASN A 147 -17.122 3.379 4.452 1.00 0.00 C ATOM 435 O ASN A 147 -18.217 3.329 5.011 1.00 0.00 O ATOM 436 CB ASN A 147 -15.302 4.898 5.247 1.00 0.00 C ATOM 437 CG ASN A 147 -14.094 5.082 6.145 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.010 5.599 5.580 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -14.139 4.774 7.336 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.961 2.976 4.468 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.056 3.184 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -15.035 5.168 4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -16.091 5.581 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -14.994 4.379 7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -13.322 4.913 7.930 1.00 0.00 H new ATOM 446 N MET A 148 -16.982 3.363 3.129 1.00 0.00 N ATOM 447 CA MET A 148 -18.141 3.282 2.247 1.00 0.00 C ATOM 448 C MET A 148 -18.869 1.953 2.424 1.00 0.00 C ATOM 449 O MET A 148 -20.091 1.920 2.557 1.00 0.00 O ATOM 450 CB MET A 148 -17.728 3.456 0.783 1.00 0.00 C ATOM 451 CG MET A 148 -16.983 4.753 0.505 1.00 0.00 C ATOM 452 SD MET A 148 -16.874 5.131 -1.257 1.00 0.00 S ATOM 453 CE MET A 148 -16.121 3.634 -1.893 1.00 0.00 C ATOM 0 H MET A 148 -16.084 3.405 2.647 1.00 0.00 H new ATOM 0 HA MET A 148 -18.818 4.092 2.519 1.00 0.00 H new ATOM 0 HB2 MET A 148 -17.098 2.616 0.491 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.619 3.419 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.486 5.573 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.978 4.686 0.921 1.00 0.00 H new ATOM 0 HE1 MET A 148 -15.337 3.895 -2.604 1.00 0.00 H new ATOM 0 HE2 MET A 148 -15.689 3.066 -1.069 1.00 0.00 H new ATOM 0 HE3 MET A 148 -16.878 3.030 -2.393 1.00 0.00 H new ATOM 463 N ILE A 149 -18.111 0.858 2.429 1.00 0.00 N ATOM 464 CA ILE A 149 -18.691 -0.472 2.592 1.00 0.00 C ATOM 465 C ILE A 149 -19.528 -0.552 3.865 1.00 0.00 C ATOM 466 O ILE A 149 -20.644 -1.069 3.854 1.00 0.00 O ATOM 467 CB ILE A 149 -17.599 -1.562 2.633 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.786 -1.546 1.335 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.224 -2.933 2.860 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.631 -2.525 1.327 1.00 0.00 C ATOM 0 H ILE A 149 -17.097 0.866 2.322 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.332 -0.648 1.728 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.926 -1.352 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.448 -1.772 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.399 -0.540 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.440 -3.690 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.762 -2.935 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.917 -3.156 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -15.102 -2.456 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.946 -2.287 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -16.012 -3.538 1.458 1.00 0.00 H new ATOM 482 N GLN A 150 -18.981 -0.031 4.959 1.00 0.00 N ATOM 483 CA GLN A 150 -19.676 -0.037 6.242 1.00 0.00 C ATOM 484 C GLN A 150 -20.938 0.818 6.178 1.00 0.00 C ATOM 485 O GLN A 150 -21.980 0.448 6.719 1.00 0.00 O ATOM 486 CB GLN A 150 -18.752 0.474 7.348 1.00 0.00 C ATOM 487 CG GLN A 150 -17.508 -0.377 7.540 1.00 0.00 C ATOM 488 CD GLN A 150 -16.608 0.145 8.643 1.00 0.00 C ATOM 489 OE1 GLN A 150 -16.120 1.273 8.580 1.00 0.00 O ATOM 490 NE2 GLN A 150 -16.384 -0.677 9.662 1.00 0.00 N ATOM 0 H GLN A 150 -18.057 0.401 4.983 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.965 -1.063 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.451 1.496 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.306 0.510 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.805 -1.400 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.948 -0.411 6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -16.810 -1.604 9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -15.786 -0.381 10.434 1.00 0.00 H new ATOM 499 N THR A 151 -20.833 1.966 5.514 1.00 0.00 N ATOM 500 CA THR A 151 -21.961 2.881 5.378 1.00 0.00 C ATOM 501 C THR A 151 -23.131 2.214 4.656 1.00 0.00 C ATOM 502 O THR A 151 -24.281 2.327 5.081 1.00 0.00 O ATOM 503 CB THR A 151 -21.554 4.154 4.611 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.481 4.813 5.295 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.731 5.111 4.475 1.00 0.00 C ATOM 0 H THR A 151 -19.976 2.285 5.061 1.00 0.00 H new ATOM 0 HA THR A 151 -22.273 3.154 6.386 1.00 0.00 H new ATOM 0 HB THR A 151 -21.229 3.859 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.647 4.320 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.416 6.001 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.538 4.620 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.083 5.398 5.466 1.00 0.00 H new ATOM 513 N TYR A 152 -22.830 1.523 3.562 1.00 0.00 N ATOM 514 CA TYR A 152 -23.853 0.837 2.779 1.00 0.00 C ATOM 515 C TYR A 152 -24.471 -0.308 3.574 1.00 0.00 C ATOM 516 O TYR A 152 -25.689 -0.482 3.589 1.00 0.00 O ATOM 517 CB TYR A 152 -23.257 0.308 1.469 1.00 0.00 C ATOM 518 CG TYR A 152 -22.866 1.390 0.479 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.417 2.636 0.907 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.947 1.162 -0.890 1.00 0.00 C ATOM 521 CE1 TYR A 152 -22.064 3.618 0.004 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.595 2.142 -1.799 1.00 0.00 C ATOM 523 CZ TYR A 152 -22.154 3.366 -1.346 1.00 0.00 C ATOM 524 OH TYR A 152 -21.804 4.344 -2.246 1.00 0.00 O ATOM 0 H TYR A 152 -21.883 1.423 3.196 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.639 1.556 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.377 -0.292 1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.980 -0.356 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -22.344 2.838 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.291 0.203 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.719 4.579 0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.665 1.949 -2.859 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.110 4.915 -1.855 1.00 0.00 H new ATOM 649 N LYS A 161 -24.451 -0.231 -7.325 1.00 0.00 N ATOM 650 CA LYS A 161 -23.359 0.091 -8.240 1.00 0.00 C ATOM 651 C LYS A 161 -22.087 0.453 -7.480 1.00 0.00 C ATOM 652 O LYS A 161 -21.019 -0.098 -7.745 1.00 0.00 O ATOM 653 CB LYS A 161 -23.755 1.240 -9.174 1.00 0.00 C ATOM 654 CG LYS A 161 -24.788 0.862 -10.228 1.00 0.00 C ATOM 655 CD LYS A 161 -26.142 0.540 -9.612 1.00 0.00 C ATOM 656 CE LYS A 161 -27.156 0.147 -10.673 1.00 0.00 C ATOM 657 NZ LYS A 161 -27.369 1.234 -11.668 1.00 0.00 N ATOM 0 HA LYS A 161 -23.159 -0.798 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -24.148 2.061 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -22.861 1.611 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -24.899 1.682 -10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -24.432 -0.001 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -26.032 -0.272 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -26.508 1.406 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -26.815 -0.752 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -28.104 -0.099 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -28.213 1.023 -12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -27.504 2.138 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -26.539 1.302 -12.291 1.00 0.00 H new ATOM 671 N LEU A 162 -22.208 1.380 -6.536 1.00 0.00 N ATOM 672 CA LEU A 162 -21.064 1.812 -5.740 1.00 0.00 C ATOM 673 C LEU A 162 -20.614 0.726 -4.769 1.00 0.00 C ATOM 674 O LEU A 162 -19.429 0.622 -4.458 1.00 0.00 O ATOM 675 CB LEU A 162 -21.388 3.105 -4.987 1.00 0.00 C ATOM 676 CG LEU A 162 -21.204 4.392 -5.801 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.040 4.355 -7.071 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.563 5.610 -4.964 1.00 0.00 C ATOM 0 H LEU A 162 -23.085 1.846 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.239 2.005 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.420 3.057 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.756 3.160 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 162 -20.154 4.464 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -21.892 5.279 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -21.734 3.507 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -23.093 4.253 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.426 6.513 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -22.603 5.539 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -20.917 5.652 -4.087 1.00 0.00 H new ATOM 690 N LEU A 163 -21.559 -0.082 -4.292 1.00 0.00 N ATOM 691 CA LEU A 163 -21.237 -1.159 -3.360 1.00 0.00 C ATOM 692 C LEU A 163 -20.188 -2.089 -3.963 1.00 0.00 C ATOM 693 O LEU A 163 -19.155 -2.359 -3.348 1.00 0.00 O ATOM 694 CB LEU A 163 -22.496 -1.952 -3.002 1.00 0.00 C ATOM 695 CG LEU A 163 -22.280 -3.124 -2.041 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.751 -2.632 -0.703 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.575 -3.899 -1.852 1.00 0.00 C ATOM 0 H LEU A 163 -22.547 -0.012 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.832 -0.715 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.222 -1.270 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.938 -2.335 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.537 -3.792 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.605 -3.481 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.800 -2.121 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.468 -1.941 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -23.405 -4.729 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -24.338 -3.238 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.911 -4.286 -2.814 1.00 0.00 H new ATOM 709 N LEU A 164 -20.454 -2.562 -5.177 1.00 0.00 N ATOM 710 CA LEU A 164 -19.528 -3.448 -5.872 1.00 0.00 C ATOM 711 C LEU A 164 -18.229 -2.712 -6.173 1.00 0.00 C ATOM 712 O LEU A 164 -17.140 -3.275 -6.058 1.00 0.00 O ATOM 713 CB LEU A 164 -20.156 -3.964 -7.169 1.00 0.00 C ATOM 714 CG LEU A 164 -21.439 -4.779 -6.989 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.001 -5.192 -8.339 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.178 -6.003 -6.124 1.00 0.00 C ATOM 0 H LEU A 164 -21.303 -2.346 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.310 -4.301 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.372 -3.112 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.423 -4.580 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.176 -4.153 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.913 -5.771 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.227 -4.302 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.267 -5.800 -8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.102 -6.570 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.425 -6.631 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.820 -5.687 -5.144 1.00 0.00 H new ATOM 728 N THR A 165 -18.361 -1.445 -6.551 1.00 0.00 N ATOM 729 CA THR A 165 -17.209 -0.610 -6.863 1.00 0.00 C ATOM 730 C THR A 165 -16.269 -0.520 -5.665 1.00 0.00 C ATOM 731 O THR A 165 -15.047 -0.557 -5.816 1.00 0.00 O ATOM 732 CB THR A 165 -17.653 0.808 -7.277 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.498 0.737 -8.432 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.454 1.695 -7.577 1.00 0.00 C ATOM 0 H THR A 165 -19.260 -0.973 -6.649 1.00 0.00 H new ATOM 0 HA THR A 165 -16.681 -1.072 -7.697 1.00 0.00 H new ATOM 0 HB THR A 165 -18.204 1.245 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.396 0.451 -8.163 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.799 2.688 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.828 1.773 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.875 1.261 -8.392 1.00 0.00 H new ATOM 742 N ALA A 166 -16.850 -0.409 -4.474 1.00 0.00 N ATOM 743 CA ALA A 166 -16.072 -0.321 -3.244 1.00 0.00 C ATOM 744 C ALA A 166 -15.286 -1.604 -3.009 1.00 0.00 C ATOM 745 O ALA A 166 -14.111 -1.565 -2.646 1.00 0.00 O ATOM 746 CB ALA A 166 -16.983 -0.032 -2.060 1.00 0.00 C ATOM 0 H ALA A 166 -17.860 -0.378 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.362 0.500 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.387 0.031 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.500 0.914 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.715 -0.833 -1.960 1.00 0.00 H new ATOM 752 N GLN A 167 -15.942 -2.742 -3.225 1.00 0.00 N ATOM 753 CA GLN A 167 -15.302 -4.039 -3.044 1.00 0.00 C ATOM 754 C GLN A 167 -14.055 -4.139 -3.914 1.00 0.00 C ATOM 755 O GLN A 167 -13.003 -4.588 -3.463 1.00 0.00 O ATOM 756 CB GLN A 167 -16.275 -5.169 -3.389 1.00 0.00 C ATOM 757 CG GLN A 167 -17.522 -5.185 -2.523 1.00 0.00 C ATOM 758 CD GLN A 167 -18.451 -6.336 -2.858 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.942 -6.448 -3.981 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.695 -7.204 -1.881 1.00 0.00 N ATOM 0 H GLN A 167 -16.916 -2.790 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.011 -4.137 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.570 -5.076 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.760 -6.124 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.231 -5.251 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.057 -4.243 -2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.267 -7.074 -0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -19.310 -8.000 -2.048 1.00 0.00 H new ATOM 769 N GLN A 168 -14.184 -3.702 -5.164 1.00 0.00 N ATOM 770 CA GLN A 168 -13.069 -3.725 -6.101 1.00 0.00 C ATOM 771 C GLN A 168 -11.939 -2.833 -5.600 1.00 0.00 C ATOM 772 O GLN A 168 -10.763 -3.166 -5.740 1.00 0.00 O ATOM 773 CB GLN A 168 -13.528 -3.265 -7.486 1.00 0.00 C ATOM 774 CG GLN A 168 -12.428 -3.295 -8.534 1.00 0.00 C ATOM 775 CD GLN A 168 -11.855 -4.684 -8.739 1.00 0.00 C ATOM 776 OE1 GLN A 168 -12.571 -5.614 -9.111 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.558 -4.832 -8.496 1.00 0.00 N ATOM 0 H GLN A 168 -15.051 -3.328 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.701 -4.748 -6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.350 -3.900 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.919 -2.250 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.823 -2.926 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.629 -2.617 -8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.002 -4.034 -8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.117 -5.744 -8.616 1.00 0.00 H new ATOM 786 N MET A 169 -12.311 -1.698 -5.014 1.00 0.00 N ATOM 787 CA MET A 169 -11.337 -0.751 -4.484 1.00 0.00 C ATOM 788 C MET A 169 -10.526 -1.372 -3.352 1.00 0.00 C ATOM 789 O MET A 169 -9.297 -1.308 -3.347 1.00 0.00 O ATOM 790 CB MET A 169 -12.047 0.504 -3.979 1.00 0.00 C ATOM 791 CG MET A 169 -12.636 1.357 -5.089 1.00 0.00 C ATOM 792 SD MET A 169 -11.384 1.918 -6.256 1.00 0.00 S ATOM 793 CE MET A 169 -10.183 2.622 -5.129 1.00 0.00 C ATOM 0 H MET A 169 -13.283 -1.412 -4.895 1.00 0.00 H new ATOM 0 HA MET A 169 -10.654 -0.484 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.844 0.210 -3.296 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.341 1.105 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 169 -13.395 0.784 -5.621 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.137 2.221 -4.653 1.00 0.00 H new ATOM 0 HE1 MET A 169 -9.503 3.272 -5.681 1.00 0.00 H new ATOM 0 HE2 MET A 169 -10.699 3.202 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 169 -9.615 1.821 -4.656 1.00 0.00 H new ATOM 803 N LEU A 170 -11.228 -1.967 -2.396 1.00 0.00 N ATOM 804 CA LEU A 170 -10.586 -2.601 -1.248 1.00 0.00 C ATOM 805 C LEU A 170 -9.614 -3.686 -1.707 1.00 0.00 C ATOM 806 O LEU A 170 -8.481 -3.760 -1.234 1.00 0.00 O ATOM 807 CB LEU A 170 -11.655 -3.190 -0.315 1.00 0.00 C ATOM 808 CG LEU A 170 -11.165 -3.696 1.052 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.356 -4.977 0.912 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.348 -2.624 1.757 1.00 0.00 C ATOM 0 H LEU A 170 -12.246 -2.025 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 170 -10.017 -1.849 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.417 -2.429 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.141 -4.018 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 170 -12.043 -3.921 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.025 -5.308 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.975 -5.751 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.487 -4.791 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.010 -3.000 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.484 -2.365 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -10.964 -1.738 1.909 1.00 0.00 H new ATOM 822 N GLN A 171 -10.068 -4.527 -2.631 1.00 0.00 N ATOM 823 CA GLN A 171 -9.244 -5.610 -3.155 1.00 0.00 C ATOM 824 C GLN A 171 -8.040 -5.066 -3.922 1.00 0.00 C ATOM 825 O GLN A 171 -6.933 -5.592 -3.813 1.00 0.00 O ATOM 826 CB GLN A 171 -10.078 -6.513 -4.067 1.00 0.00 C ATOM 827 CG GLN A 171 -9.298 -7.678 -4.656 1.00 0.00 C ATOM 828 CD GLN A 171 -8.744 -8.607 -3.594 1.00 0.00 C ATOM 829 OE1 GLN A 171 -9.492 -9.184 -2.805 1.00 0.00 O ATOM 830 NE2 GLN A 171 -7.424 -8.758 -3.569 1.00 0.00 N ATOM 0 H GLN A 171 -11.004 -4.479 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 171 -8.876 -6.192 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.924 -6.903 -3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.488 -5.914 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -9.947 -8.243 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -8.477 -7.292 -5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -6.841 -8.260 -4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -6.994 -9.371 -2.877 1.00 0.00 H new ATOM 839 N ASP A 172 -8.270 -4.015 -4.702 1.00 0.00 N ATOM 840 CA ASP A 172 -7.211 -3.401 -5.497 1.00 0.00 C ATOM 841 C ASP A 172 -6.080 -2.886 -4.611 1.00 0.00 C ATOM 842 O ASP A 172 -4.905 -3.133 -4.884 1.00 0.00 O ATOM 843 CB ASP A 172 -7.777 -2.253 -6.334 1.00 0.00 C ATOM 844 CG ASP A 172 -6.723 -1.601 -7.207 1.00 0.00 C ATOM 845 OD1 ASP A 172 -6.134 -2.305 -8.054 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.487 -0.385 -7.045 1.00 0.00 O ATOM 0 H ASP A 172 -9.182 -3.569 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.805 -4.166 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.584 -2.629 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -8.211 -1.504 -5.672 1.00 0.00 H new ATOM 851 N SER A 173 -6.442 -2.165 -3.555 1.00 0.00 N ATOM 852 CA SER A 173 -5.457 -1.610 -2.633 1.00 0.00 C ATOM 853 C SER A 173 -4.625 -2.713 -1.987 1.00 0.00 C ATOM 854 O SER A 173 -3.405 -2.600 -1.882 1.00 0.00 O ATOM 855 CB SER A 173 -6.149 -0.779 -1.554 1.00 0.00 C ATOM 856 OG SER A 173 -7.042 -1.573 -0.793 1.00 0.00 O ATOM 0 H SER A 173 -7.410 -1.951 -3.316 1.00 0.00 H new ATOM 0 HA SER A 173 -4.788 -0.967 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 173 -5.401 -0.336 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.694 0.044 -2.018 1.00 0.00 H new ATOM 0 HG SER A 173 -7.419 -2.277 -1.361 1.00 0.00 H new ATOM 862 N LYS A 174 -5.294 -3.779 -1.554 1.00 0.00 N ATOM 863 CA LYS A 174 -4.614 -4.901 -0.915 1.00 0.00 C ATOM 864 C LYS A 174 -3.553 -5.498 -1.833 1.00 0.00 C ATOM 865 O LYS A 174 -2.452 -5.827 -1.391 1.00 0.00 O ATOM 866 CB LYS A 174 -5.625 -5.979 -0.515 1.00 0.00 C ATOM 867 CG LYS A 174 -6.641 -5.510 0.516 1.00 0.00 C ATOM 868 CD LYS A 174 -5.983 -5.122 1.836 1.00 0.00 C ATOM 869 CE LYS A 174 -5.426 -6.331 2.578 1.00 0.00 C ATOM 870 NZ LYS A 174 -4.290 -6.967 1.855 1.00 0.00 N ATOM 0 H LYS A 174 -6.305 -3.889 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.119 -4.525 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.154 -6.317 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.087 -6.840 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.190 -4.655 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.369 -6.302 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -5.178 -4.413 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -6.712 -4.614 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -5.095 -6.024 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.220 -7.065 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -3.625 -7.374 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -4.651 -7.720 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -3.800 -6.252 1.281 1.00 0.00 H new ATOM 884 N THR A 175 -3.891 -5.636 -3.110 1.00 0.00 N ATOM 885 CA THR A 175 -2.967 -6.194 -4.091 1.00 0.00 C ATOM 886 C THR A 175 -1.700 -5.349 -4.197 1.00 0.00 C ATOM 887 O THR A 175 -0.586 -5.875 -4.183 1.00 0.00 O ATOM 888 CB THR A 175 -3.621 -6.293 -5.482 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.795 -7.111 -5.414 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.652 -6.878 -6.499 1.00 0.00 C ATOM 0 H THR A 175 -4.799 -5.369 -3.491 1.00 0.00 H new ATOM 0 HA THR A 175 -2.705 -7.195 -3.747 1.00 0.00 H new ATOM 0 HB THR A 175 -3.894 -5.287 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.490 -6.644 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.138 -6.937 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.771 -6.240 -6.571 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.351 -7.877 -6.182 1.00 0.00 H new ATOM 898 N LYS A 176 -1.881 -4.038 -4.303 1.00 0.00 N ATOM 899 CA LYS A 176 -0.757 -3.115 -4.412 1.00 0.00 C ATOM 900 C LYS A 176 0.120 -3.175 -3.166 1.00 0.00 C ATOM 901 O LYS A 176 1.348 -3.182 -3.260 1.00 0.00 O ATOM 902 CB LYS A 176 -1.264 -1.686 -4.624 1.00 0.00 C ATOM 903 CG LYS A 176 -2.100 -1.509 -5.883 1.00 0.00 C ATOM 904 CD LYS A 176 -1.296 -1.820 -7.136 1.00 0.00 C ATOM 905 CE LYS A 176 -2.118 -1.596 -8.396 1.00 0.00 C ATOM 906 NZ LYS A 176 -3.355 -2.426 -8.410 1.00 0.00 N ATOM 0 H LYS A 176 -2.797 -3.589 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.156 -3.413 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.859 -1.390 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.410 -1.011 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -2.971 -2.163 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.472 -0.486 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -0.406 -1.191 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -0.954 -2.854 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -2.387 -0.542 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -1.512 -1.833 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -3.487 -2.837 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -3.268 -3.190 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -4.175 -1.831 -8.173 1.00 0.00 H new ATOM 920 N ILE A 177 -0.519 -3.213 -2.000 1.00 0.00 N ATOM 921 CA ILE A 177 0.201 -3.266 -0.733 1.00 0.00 C ATOM 922 C ILE A 177 1.066 -4.518 -0.640 1.00 0.00 C ATOM 923 O ILE A 177 2.221 -4.452 -0.220 1.00 0.00 O ATOM 924 CB ILE A 177 -0.767 -3.222 0.465 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.568 -1.917 0.436 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.004 -3.362 1.775 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.539 -1.762 1.586 1.00 0.00 C ATOM 0 H ILE A 177 -1.535 -3.208 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 177 0.845 -2.387 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.461 -4.059 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.874 -1.077 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.121 -1.863 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.705 -3.329 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.528 -4.313 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.711 -2.545 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.066 -0.813 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.259 -2.580 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.992 -1.781 2.529 1.00 0.00 H new ATOM 939 N ASP A 178 0.504 -5.655 -1.038 1.00 0.00 N ATOM 940 CA ASP A 178 1.232 -6.918 -1.002 1.00 0.00 C ATOM 941 C ASP A 178 2.522 -6.809 -1.807 1.00 0.00 C ATOM 942 O ASP A 178 3.580 -7.269 -1.373 1.00 0.00 O ATOM 943 CB ASP A 178 0.364 -8.050 -1.552 1.00 0.00 C ATOM 944 CG ASP A 178 -0.894 -8.268 -0.732 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.091 -7.539 0.263 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.683 -9.170 -1.085 1.00 0.00 O ATOM 0 H ASP A 178 -0.451 -5.728 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 178 1.483 -7.142 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.088 -7.824 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.945 -8.972 -1.572 1.00 0.00 H new ATOM 951 N ILE A 179 2.424 -6.191 -2.980 1.00 0.00 N ATOM 952 CA ILE A 179 3.578 -6.010 -3.850 1.00 0.00 C ATOM 953 C ILE A 179 4.646 -5.162 -3.165 1.00 0.00 C ATOM 954 O ILE A 179 5.834 -5.484 -3.212 1.00 0.00 O ATOM 955 CB ILE A 179 3.180 -5.339 -5.180 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.111 -6.171 -5.895 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.402 -5.157 -6.071 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.605 -5.540 -7.176 1.00 0.00 C ATOM 0 H ILE A 179 1.554 -5.807 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 179 3.979 -7.001 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 179 2.765 -4.355 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.521 -7.155 -6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.270 -6.324 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.103 -4.682 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.133 -4.529 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.845 -6.130 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.851 -6.186 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.165 -4.568 -6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.435 -5.412 -7.871 1.00 0.00 H new ATOM 970 N ILE A 180 4.215 -4.074 -2.534 1.00 0.00 N ATOM 971 CA ILE A 180 5.132 -3.175 -1.842 1.00 0.00 C ATOM 972 C ILE A 180 5.871 -3.891 -0.716 1.00 0.00 C ATOM 973 O ILE A 180 7.085 -3.747 -0.574 1.00 0.00 O ATOM 974 CB ILE A 180 4.393 -1.952 -1.261 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.681 -1.181 -2.377 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.369 -1.046 -0.521 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.869 -0.004 -1.880 1.00 0.00 C ATOM 0 H ILE A 180 3.235 -3.794 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 180 5.854 -2.836 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 180 3.643 -2.301 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.423 -0.824 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.024 -1.863 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.833 -0.187 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.834 -1.601 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.139 -0.701 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.394 0.493 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.103 -0.356 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.525 0.700 -1.367 1.00 0.00 H new ATOM 989 N ARG A 181 5.134 -4.658 0.085 1.00 0.00 N ATOM 990 CA ARG A 181 5.728 -5.389 1.201 1.00 0.00 C ATOM 991 C ARG A 181 6.894 -6.249 0.726 1.00 0.00 C ATOM 992 O ARG A 181 7.970 -6.241 1.328 1.00 0.00 O ATOM 993 CB ARG A 181 4.678 -6.264 1.888 1.00 0.00 C ATOM 994 CG ARG A 181 5.216 -7.031 3.087 1.00 0.00 C ATOM 995 CD ARG A 181 5.697 -6.090 4.181 1.00 0.00 C ATOM 996 NE ARG A 181 6.277 -6.811 5.310 1.00 0.00 N ATOM 997 CZ ARG A 181 6.752 -6.214 6.398 1.00 0.00 C ATOM 998 NH1 ARG A 181 6.704 -4.893 6.510 1.00 0.00 N ATOM 999 NH2 ARG A 181 7.276 -6.939 7.378 1.00 0.00 N ATOM 0 H ARG A 181 4.128 -4.789 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 181 6.104 -4.661 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.848 -5.635 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.277 -6.973 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 181 4.437 -7.683 3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 181 6.038 -7.673 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 181 6.438 -5.405 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 181 4.861 -5.483 4.530 1.00 0.00 H new ATOM 0 HE ARG A 181 6.320 -7.829 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 181 6.301 -4.332 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 181 7.070 -4.438 7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 181 7.314 -7.955 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 181 7.641 -6.480 8.213 1.00 0.00 H new ATOM 1013 N MET A 182 6.676 -6.981 -0.361 1.00 0.00 N ATOM 1014 CA MET A 182 7.712 -7.837 -0.923 1.00 0.00 C ATOM 1015 C MET A 182 8.935 -7.008 -1.302 1.00 0.00 C ATOM 1016 O MET A 182 10.073 -7.435 -1.112 1.00 0.00 O ATOM 1017 CB MET A 182 7.181 -8.583 -2.149 1.00 0.00 C ATOM 1018 CG MET A 182 5.992 -9.482 -1.844 1.00 0.00 C ATOM 1019 SD MET A 182 6.382 -10.767 -0.639 1.00 0.00 S ATOM 1020 CE MET A 182 4.803 -11.604 -0.510 1.00 0.00 C ATOM 0 H MET A 182 5.792 -6.998 -0.869 1.00 0.00 H new ATOM 0 HA MET A 182 8.003 -8.568 -0.169 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.892 -7.857 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.983 -9.187 -2.573 1.00 0.00 H new ATOM 0 HG2 MET A 182 5.169 -8.874 -1.467 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.648 -9.948 -2.767 1.00 0.00 H new ATOM 0 HE1 MET A 182 4.884 -12.426 0.201 1.00 0.00 H new ATOM 0 HE2 MET A 182 4.045 -10.900 -0.166 1.00 0.00 H new ATOM 0 HE3 MET A 182 4.518 -11.995 -1.487 1.00 0.00 H new ATOM 1030 N GLN A 183 8.686 -5.815 -1.837 1.00 0.00 N ATOM 1031 CA GLN A 183 9.759 -4.915 -2.242 1.00 0.00 C ATOM 1032 C GLN A 183 10.573 -4.456 -1.036 1.00 0.00 C ATOM 1033 O GLN A 183 11.786 -4.283 -1.129 1.00 0.00 O ATOM 1034 CB GLN A 183 9.192 -3.697 -2.975 1.00 0.00 C ATOM 1035 CG GLN A 183 8.417 -4.050 -4.234 1.00 0.00 C ATOM 1036 CD GLN A 183 7.879 -2.827 -4.950 1.00 0.00 C ATOM 1037 OE1 GLN A 183 7.106 -2.053 -4.386 1.00 0.00 O ATOM 1038 NE2 GLN A 183 8.289 -2.646 -6.200 1.00 0.00 N ATOM 0 H GLN A 183 7.748 -5.450 -2.000 1.00 0.00 H new ATOM 0 HA GLN A 183 10.415 -5.464 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.538 -3.148 -2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.011 -3.028 -3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.065 -4.607 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.588 -4.708 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 183 8.931 -3.313 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 183 7.962 -1.839 -6.732 1.00 0.00 H new ATOM 1047 N LEU A 184 9.897 -4.249 0.092 1.00 0.00 N ATOM 1048 CA LEU A 184 10.562 -3.799 1.314 1.00 0.00 C ATOM 1049 C LEU A 184 11.616 -4.800 1.755 1.00 0.00 C ATOM 1050 O LEU A 184 12.765 -4.442 2.019 1.00 0.00 O ATOM 1051 CB LEU A 184 9.542 -3.611 2.444 1.00 0.00 C ATOM 1052 CG LEU A 184 8.250 -2.892 2.052 1.00 0.00 C ATOM 1053 CD1 LEU A 184 7.469 -2.486 3.290 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.556 -1.684 1.186 1.00 0.00 C ATOM 0 H LEU A 184 8.891 -4.385 0.186 1.00 0.00 H new ATOM 0 HA LEU A 184 11.043 -2.845 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 184 9.284 -4.592 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.018 -3.053 3.250 1.00 0.00 H new ATOM 0 HG LEU A 184 7.634 -3.579 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 184 6.553 -1.976 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 184 7.217 -3.375 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 184 8.075 -1.816 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.625 -1.184 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.192 -0.992 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 184 9.070 -2.006 0.281 1.00 0.00 H new ATOM 1066 N ARG A 185 11.208 -6.056 1.838 1.00 0.00 N ATOM 1067 CA ARG A 185 12.103 -7.131 2.256 1.00 0.00 C ATOM 1068 C ARG A 185 13.276 -7.277 1.291 1.00 0.00 C ATOM 1069 O ARG A 185 14.426 -7.400 1.712 1.00 0.00 O ATOM 1070 CB ARG A 185 11.336 -8.450 2.351 1.00 0.00 C ATOM 1071 CG ARG A 185 10.207 -8.422 3.369 1.00 0.00 C ATOM 1072 CD ARG A 185 9.441 -9.735 3.392 1.00 0.00 C ATOM 1073 NE ARG A 185 8.363 -9.721 4.376 1.00 0.00 N ATOM 1074 CZ ARG A 185 7.539 -10.745 4.585 1.00 0.00 C ATOM 1075 NH1 ARG A 185 7.665 -11.858 3.875 1.00 0.00 N ATOM 1076 NH2 ARG A 185 6.586 -10.654 5.503 1.00 0.00 N ATOM 0 H ARG A 185 10.259 -6.360 1.621 1.00 0.00 H new ATOM 0 HA ARG A 185 12.500 -6.876 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.925 -8.694 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 185 12.031 -9.248 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 185 10.615 -8.221 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.524 -7.606 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 185 9.027 -9.931 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 185 10.127 -10.551 3.617 1.00 0.00 H new ATOM 0 HE ARG A 185 8.234 -8.878 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 185 8.395 -11.931 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 185 7.032 -12.641 4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 185 6.484 -9.799 6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 185 5.955 -11.439 5.663 1.00 0.00 H new ATOM 1090 N ARG A 186 12.975 -7.265 -0.002 1.00 0.00 N ATOM 1091 CA ARG A 186 13.998 -7.399 -1.032 1.00 0.00 C ATOM 1092 C ARG A 186 14.934 -6.191 -1.042 1.00 0.00 C ATOM 1093 O ARG A 186 16.123 -6.315 -1.335 1.00 0.00 O ATOM 1094 CB ARG A 186 13.348 -7.572 -2.406 1.00 0.00 C ATOM 1095 CG ARG A 186 14.348 -7.754 -3.536 1.00 0.00 C ATOM 1096 CD ARG A 186 13.650 -7.985 -4.866 1.00 0.00 C ATOM 1097 NE ARG A 186 14.599 -8.164 -5.962 1.00 0.00 N ATOM 1098 CZ ARG A 186 14.238 -8.372 -7.224 1.00 0.00 C ATOM 1099 NH1 ARG A 186 12.953 -8.426 -7.550 1.00 0.00 N ATOM 1100 NH2 ARG A 186 15.161 -8.523 -8.164 1.00 0.00 N ATOM 0 H ARG A 186 12.027 -7.163 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 186 14.590 -8.285 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.684 -8.436 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.729 -6.700 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 186 14.984 -6.871 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 186 14.999 -8.599 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 186 13.012 -8.866 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.000 -7.138 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 186 15.595 -8.127 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 186 12.239 -8.308 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 186 12.679 -8.586 -8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 186 16.150 -8.480 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 186 14.882 -8.683 -9.132 1.00 0.00 H new ATOM 1114 N ALA A 187 14.383 -5.023 -0.733 1.00 0.00 N ATOM 1115 CA ALA A 187 15.160 -3.787 -0.713 1.00 0.00 C ATOM 1116 C ALA A 187 16.226 -3.806 0.380 1.00 0.00 C ATOM 1117 O ALA A 187 17.345 -3.337 0.174 1.00 0.00 O ATOM 1118 CB ALA A 187 14.236 -2.591 -0.528 1.00 0.00 C ATOM 0 H ALA A 187 13.399 -4.905 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 187 15.673 -3.702 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.826 -1.674 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.523 -2.552 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.697 -2.690 0.414 1.00 0.00 H new