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 Set 1.1: A 148 MET CE :methyl -129:sc= -0.757 (180deg=-1.46) USER MOD Set 1.2: A 152 TYR OH : rot 130:sc= -0.0808 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.093) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -176:sc= -3.38! (180deg=-3.63!) USER MOD Single : A 143 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.5!) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.247 F(o=-2.3!,f=-0.25) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 THR OG1 : rot 75:sc= 0.782 USER MOD Single : A 161 LYS NZ :NH3+ 147:sc= -3.48! (180deg=-5.96!) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 GLN :FLIP amide:sc= -0.173 F(o=-2.9,f=-0.17) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 MET CE :methyl -163:sc= -0.279 (180deg=-1.04) USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 SER OG : rot 70:sc= 0.0732 USER MOD Single : A 174 LYS NZ :NH3+ -148:sc= -3.41! (180deg=-5.67!) USER MOD Single : A 175 THR OG1 : rot 69:sc= 0.0782 USER MOD Single : A 176 LYS NZ :NH3+ -142:sc= -3.4! (180deg=-6.13!) USER MOD Single : A 182 MET CE :methyl 162:sc= -0.131 (180deg=-0.746) USER MOD Single : A 183 GLN :FLIP amide:sc= -0.46 F(o=-2.8!,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.195 5.856 -1.018 1.00 0.00 N ATOM 112 CA ARG A 127 14.641 4.505 -1.004 1.00 0.00 C ATOM 113 C ARG A 127 13.708 4.284 0.184 1.00 0.00 C ATOM 114 O ARG A 127 12.602 3.767 0.023 1.00 0.00 O ATOM 115 CB ARG A 127 15.769 3.472 -0.986 1.00 0.00 C ATOM 116 CG ARG A 127 16.579 3.442 -2.272 1.00 0.00 C ATOM 117 CD ARG A 127 17.706 2.424 -2.200 1.00 0.00 C ATOM 118 NE ARG A 127 18.699 2.771 -1.187 1.00 0.00 N ATOM 119 CZ ARG A 127 19.455 3.865 -1.235 1.00 0.00 C ATOM 120 NH1 ARG A 127 19.337 4.718 -2.245 1.00 0.00 N ATOM 121 NH2 ARG A 127 20.334 4.107 -0.273 1.00 0.00 N ATOM 0 HA ARG A 127 14.052 4.383 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.435 3.687 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.344 2.484 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.924 3.202 -3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 127 16.993 4.432 -2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.291 1.441 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 127 18.192 2.353 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 127 18.820 2.138 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 127 18.664 4.537 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 127 19.919 5.555 -2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 127 20.431 3.454 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 127 20.913 4.946 -0.311 1.00 0.00 H new ATOM 135 N VAL A 128 14.156 4.668 1.373 1.00 0.00 N ATOM 136 CA VAL A 128 13.354 4.499 2.581 1.00 0.00 C ATOM 137 C VAL A 128 12.092 5.356 2.547 1.00 0.00 C ATOM 138 O VAL A 128 10.995 4.870 2.818 1.00 0.00 O ATOM 139 CB VAL A 128 14.165 4.844 3.844 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.306 4.705 5.091 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.398 3.961 3.936 1.00 0.00 C ATOM 0 H VAL A 128 15.068 5.098 1.528 1.00 0.00 H new ATOM 0 HA VAL A 128 13.064 3.449 2.616 1.00 0.00 H new ATOM 0 HB VAL A 128 14.489 5.882 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.899 4.953 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.455 5.383 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.947 3.679 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.962 4.216 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.094 2.915 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.024 4.118 3.058 1.00 0.00 H new ATOM 151 N ALA A 129 12.255 6.635 2.218 1.00 0.00 N ATOM 152 CA ALA A 129 11.128 7.558 2.156 1.00 0.00 C ATOM 153 C ALA A 129 10.084 7.091 1.149 1.00 0.00 C ATOM 154 O ALA A 129 8.883 7.202 1.391 1.00 0.00 O ATOM 155 CB ALA A 129 11.612 8.957 1.809 1.00 0.00 C ATOM 0 H ALA A 129 13.157 7.054 1.991 1.00 0.00 H new ATOM 0 HA ALA A 129 10.657 7.581 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.761 9.636 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.311 9.300 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.111 8.939 0.840 1.00 0.00 H new ATOM 161 N GLY A 130 10.550 6.570 0.019 1.00 0.00 N ATOM 162 CA GLY A 130 9.642 6.093 -1.007 1.00 0.00 C ATOM 163 C GLY A 130 8.762 4.958 -0.522 1.00 0.00 C ATOM 164 O GLY A 130 7.555 4.958 -0.750 1.00 0.00 O ATOM 0 H GLY A 130 11.540 6.470 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.013 6.918 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.218 5.759 -1.870 1.00 0.00 H new ATOM 168 N LEU A 131 9.368 3.988 0.151 1.00 0.00 N ATOM 169 CA LEU A 131 8.632 2.840 0.670 1.00 0.00 C ATOM 170 C LEU A 131 7.644 3.265 1.754 1.00 0.00 C ATOM 171 O LEU A 131 6.500 2.808 1.780 1.00 0.00 O ATOM 172 CB LEU A 131 9.608 1.802 1.227 1.00 0.00 C ATOM 173 CG LEU A 131 10.624 1.258 0.218 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.628 0.347 0.904 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.914 0.515 -0.905 1.00 0.00 C ATOM 0 H LEU A 131 10.368 3.973 0.351 1.00 0.00 H new ATOM 0 HA LEU A 131 8.066 2.398 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.150 2.247 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.035 0.966 1.629 1.00 0.00 H new ATOM 0 HG LEU A 131 11.164 2.102 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.340 -0.028 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.161 0.906 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.104 -0.492 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.651 0.135 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.348 -0.318 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.235 1.195 -1.419 1.00 0.00 H new ATOM 187 N GLU A 132 8.097 4.136 2.651 1.00 0.00 N ATOM 188 CA GLU A 132 7.262 4.621 3.746 1.00 0.00 C ATOM 189 C GLU A 132 6.021 5.351 3.235 1.00 0.00 C ATOM 190 O GLU A 132 4.903 5.056 3.661 1.00 0.00 O ATOM 191 CB GLU A 132 8.069 5.553 4.652 1.00 0.00 C ATOM 192 CG GLU A 132 9.249 4.878 5.334 1.00 0.00 C ATOM 193 CD GLU A 132 8.826 3.783 6.297 1.00 0.00 C ATOM 194 OE1 GLU A 132 8.230 2.786 5.839 1.00 0.00 O ATOM 195 OE2 GLU A 132 9.092 3.924 7.508 1.00 0.00 O ATOM 0 H GLU A 132 9.041 4.522 2.641 1.00 0.00 H new ATOM 0 HA GLU A 132 6.931 3.751 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.435 6.392 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.408 5.965 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.907 4.454 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.827 5.627 5.875 1.00 0.00 H new ATOM 202 N LYS A 133 6.219 6.307 2.331 1.00 0.00 N ATOM 203 CA LYS A 133 5.103 7.077 1.784 1.00 0.00 C ATOM 204 C LYS A 133 4.079 6.158 1.124 1.00 0.00 C ATOM 205 O LYS A 133 2.873 6.376 1.244 1.00 0.00 O ATOM 206 CB LYS A 133 5.600 8.127 0.786 1.00 0.00 C ATOM 207 CG LYS A 133 6.268 7.539 -0.446 1.00 0.00 C ATOM 208 CD LYS A 133 6.715 8.626 -1.412 1.00 0.00 C ATOM 209 CE LYS A 133 5.533 9.421 -1.947 1.00 0.00 C ATOM 210 NZ LYS A 133 5.964 10.492 -2.886 1.00 0.00 N ATOM 0 H LYS A 133 7.134 6.566 1.963 1.00 0.00 H new ATOM 0 HA LYS A 133 4.617 7.594 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.757 8.742 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.306 8.787 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.129 6.943 -0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.575 6.866 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.408 9.299 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.257 8.175 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.843 8.748 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.988 9.866 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 5.130 11.010 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.602 11.149 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.462 10.066 -3.694 1.00 0.00 H new ATOM 224 N GLN A 134 4.563 5.126 0.435 1.00 0.00 N ATOM 225 CA GLN A 134 3.680 4.173 -0.231 1.00 0.00 C ATOM 226 C GLN A 134 2.729 3.529 0.772 1.00 0.00 C ATOM 227 O GLN A 134 1.530 3.409 0.517 1.00 0.00 O ATOM 228 CB GLN A 134 4.497 3.085 -0.933 1.00 0.00 C ATOM 229 CG GLN A 134 5.315 3.591 -2.110 1.00 0.00 C ATOM 230 CD GLN A 134 4.450 4.130 -3.233 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.623 3.411 -3.795 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.637 5.402 -3.566 1.00 0.00 N ATOM 0 H GLN A 134 5.558 4.930 0.324 1.00 0.00 H new ATOM 0 HA GLN A 134 3.097 4.717 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.168 2.624 -0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.820 2.305 -1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.990 4.375 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.936 2.780 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.334 5.961 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 134 4.084 5.820 -4.314 1.00 0.00 H new ATOM 241 N LEU A 135 3.277 3.116 1.910 1.00 0.00 N ATOM 242 CA LEU A 135 2.487 2.478 2.958 1.00 0.00 C ATOM 243 C LEU A 135 1.388 3.407 3.466 1.00 0.00 C ATOM 244 O LEU A 135 0.280 2.967 3.768 1.00 0.00 O ATOM 245 CB LEU A 135 3.391 2.055 4.118 1.00 0.00 C ATOM 246 CG LEU A 135 2.684 1.325 5.263 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.079 0.016 4.775 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.652 1.070 6.409 1.00 0.00 C ATOM 0 H LEU A 135 4.268 3.212 2.131 1.00 0.00 H new ATOM 0 HA LEU A 135 2.014 1.594 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.178 1.409 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.878 2.943 4.521 1.00 0.00 H new ATOM 0 HG LEU A 135 1.876 1.960 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.582 -0.487 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.354 0.222 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.868 -0.626 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.133 0.550 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.481 0.456 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.037 2.021 6.779 1.00 0.00 H new ATOM 260 N ALA A 136 1.708 4.688 3.573 1.00 0.00 N ATOM 261 CA ALA A 136 0.752 5.680 4.058 1.00 0.00 C ATOM 262 C ALA A 136 -0.437 5.842 3.112 1.00 0.00 C ATOM 263 O ALA A 136 -1.588 5.878 3.549 1.00 0.00 O ATOM 264 CB ALA A 136 1.447 7.017 4.263 1.00 0.00 C ATOM 0 H ALA A 136 2.623 5.068 3.331 1.00 0.00 H new ATOM 0 HA ALA A 136 0.363 5.323 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.726 7.750 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.247 6.903 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.867 7.358 3.317 1.00 0.00 H new ATOM 270 N ILE A 137 -0.153 5.960 1.818 1.00 0.00 N ATOM 271 CA ILE A 137 -1.200 6.145 0.814 1.00 0.00 C ATOM 272 C ILE A 137 -2.130 4.936 0.717 1.00 0.00 C ATOM 273 O ILE A 137 -3.353 5.085 0.723 1.00 0.00 O ATOM 274 CB ILE A 137 -0.595 6.422 -0.577 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.311 7.654 -0.523 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.702 6.611 -1.606 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.005 7.960 -1.834 1.00 0.00 C ATOM 0 H ILE A 137 0.793 5.931 1.438 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.783 7.006 1.140 1.00 0.00 H new ATOM 0 HB ILE A 137 0.008 5.565 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.284 8.518 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.065 7.506 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.261 6.806 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.310 5.708 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.328 7.455 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.629 8.846 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.628 7.113 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.258 8.141 -2.607 1.00 0.00 H new ATOM 289 N GLU A 138 -1.551 3.744 0.612 1.00 0.00 N ATOM 290 CA GLU A 138 -2.335 2.518 0.494 1.00 0.00 C ATOM 291 C GLU A 138 -3.282 2.339 1.677 1.00 0.00 C ATOM 292 O GLU A 138 -4.452 1.999 1.495 1.00 0.00 O ATOM 293 CB GLU A 138 -1.402 1.315 0.371 1.00 0.00 C ATOM 294 CG GLU A 138 -0.390 1.219 1.497 1.00 0.00 C ATOM 295 CD GLU A 138 0.774 0.315 1.152 1.00 0.00 C ATOM 296 OE1 GLU A 138 1.437 0.578 0.130 1.00 0.00 O ATOM 297 OE2 GLU A 138 1.029 -0.645 1.908 1.00 0.00 O ATOM 0 H GLU A 138 -0.541 3.600 0.606 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.946 2.594 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.998 0.403 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -0.872 1.371 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.015 2.216 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.883 0.845 2.394 1.00 0.00 H new ATOM 304 N LEU A 139 -2.778 2.571 2.883 1.00 0.00 N ATOM 305 CA LEU A 139 -3.591 2.435 4.087 1.00 0.00 C ATOM 306 C LEU A 139 -4.786 3.380 4.047 1.00 0.00 C ATOM 307 O LEU A 139 -5.899 3.003 4.413 1.00 0.00 O ATOM 308 CB LEU A 139 -2.753 2.705 5.337 1.00 0.00 C ATOM 309 CG LEU A 139 -1.657 1.677 5.619 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.838 2.089 6.833 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.261 0.295 5.826 1.00 0.00 C ATOM 0 H LEU A 139 -1.813 2.853 3.054 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.961 1.410 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.291 3.688 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.419 2.749 6.199 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.994 1.636 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.063 1.345 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.374 3.058 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.489 2.159 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.466 -0.423 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.947 0.321 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.803 -0.003 4.929 1.00 0.00 H new ATOM 323 N LYS A 140 -4.548 4.608 3.601 1.00 0.00 N ATOM 324 CA LYS A 140 -5.605 5.608 3.512 1.00 0.00 C ATOM 325 C LYS A 140 -6.729 5.136 2.595 1.00 0.00 C ATOM 326 O LYS A 140 -7.908 5.271 2.923 1.00 0.00 O ATOM 327 CB LYS A 140 -5.039 6.933 2.997 1.00 0.00 C ATOM 328 CG LYS A 140 -6.085 8.027 2.854 1.00 0.00 C ATOM 329 CD LYS A 140 -5.499 9.287 2.234 1.00 0.00 C ATOM 330 CE LYS A 140 -4.418 9.897 3.112 1.00 0.00 C ATOM 331 NZ LYS A 140 -3.850 11.137 2.514 1.00 0.00 N ATOM 0 H LYS A 140 -3.632 4.935 3.295 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.013 5.756 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.259 7.274 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.566 6.765 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.907 7.666 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.501 8.263 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.082 9.051 1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -6.293 10.017 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.833 10.125 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.621 9.169 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -3.117 11.522 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.431 10.915 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -4.606 11.841 2.392 1.00 0.00 H new ATOM 345 N VAL A 141 -6.355 4.592 1.440 1.00 0.00 N ATOM 346 CA VAL A 141 -7.331 4.110 0.469 1.00 0.00 C ATOM 347 C VAL A 141 -8.117 2.916 1.005 1.00 0.00 C ATOM 348 O VAL A 141 -9.341 2.866 0.879 1.00 0.00 O ATOM 349 CB VAL A 141 -6.654 3.711 -0.857 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.694 3.284 -1.882 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.810 4.859 -1.389 1.00 0.00 C ATOM 0 H VAL A 141 -5.383 4.474 1.154 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.020 4.935 0.287 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.997 2.862 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.196 3.006 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.252 2.429 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.380 4.110 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.339 4.561 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.445 5.728 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.040 5.113 -0.660 1.00 0.00 H new ATOM 361 N LYS A 142 -7.413 1.954 1.598 1.00 0.00 N ATOM 362 CA LYS A 142 -8.060 0.763 2.142 1.00 0.00 C ATOM 363 C LYS A 142 -9.069 1.132 3.224 1.00 0.00 C ATOM 364 O LYS A 142 -10.210 0.668 3.204 1.00 0.00 O ATOM 365 CB LYS A 142 -7.020 -0.210 2.703 1.00 0.00 C ATOM 366 CG LYS A 142 -7.635 -1.430 3.373 1.00 0.00 C ATOM 367 CD LYS A 142 -6.573 -2.406 3.857 1.00 0.00 C ATOM 368 CE LYS A 142 -5.811 -3.027 2.697 1.00 0.00 C ATOM 369 NZ LYS A 142 -4.809 -4.024 3.161 1.00 0.00 N ATOM 0 H LYS A 142 -6.400 1.976 1.714 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.594 0.274 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.367 -0.539 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.394 0.315 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.247 -1.111 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.299 -1.934 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.875 -1.888 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -7.043 -3.193 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.514 -3.508 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.308 -2.242 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -4.265 -4.374 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -4.163 -3.576 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.297 -4.820 3.619 1.00 0.00 H new ATOM 383 N GLN A 143 -8.647 1.970 4.165 1.00 0.00 N ATOM 384 CA GLN A 143 -9.505 2.403 5.246 1.00 0.00 C ATOM 385 C GLN A 143 -10.706 3.175 4.710 1.00 0.00 C ATOM 386 O GLN A 143 -11.835 2.971 5.153 1.00 0.00 O ATOM 387 CB GLN A 143 -8.702 3.271 6.206 1.00 0.00 C ATOM 388 CG GLN A 143 -7.592 2.524 6.929 1.00 0.00 C ATOM 389 CD GLN A 143 -8.115 1.419 7.828 1.00 0.00 C ATOM 390 OE1 GLN A 143 -8.746 0.469 7.364 1.00 0.00 O ATOM 391 NE2 GLN A 143 -7.855 1.539 9.124 1.00 0.00 N ATOM 0 H GLN A 143 -7.706 2.362 4.194 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.880 1.527 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -8.266 4.102 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -9.379 3.701 6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.910 2.096 6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -7.015 3.230 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -7.328 2.343 9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.182 0.827 9.778 1.00 0.00 H new ATOM 400 N GLY A 144 -10.450 4.060 3.751 1.00 0.00 N ATOM 401 CA GLY A 144 -11.516 4.848 3.163 1.00 0.00 C ATOM 402 C GLY A 144 -12.561 3.987 2.484 1.00 0.00 C ATOM 403 O GLY A 144 -13.756 4.278 2.551 1.00 0.00 O ATOM 0 H GLY A 144 -9.522 4.245 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.991 5.448 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.093 5.542 2.437 1.00 0.00 H new ATOM 407 N ALA A 145 -12.110 2.920 1.833 1.00 0.00 N ATOM 408 CA ALA A 145 -13.009 2.007 1.144 1.00 0.00 C ATOM 409 C ALA A 145 -13.878 1.262 2.145 1.00 0.00 C ATOM 410 O ALA A 145 -15.081 1.102 1.943 1.00 0.00 O ATOM 411 CB ALA A 145 -12.216 1.026 0.292 1.00 0.00 C ATOM 0 H ALA A 145 -11.124 2.667 1.769 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.659 2.587 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.902 0.349 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.632 1.575 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.545 0.450 0.929 1.00 0.00 H new ATOM 417 N GLU A 146 -13.256 0.818 3.231 1.00 0.00 N ATOM 418 CA GLU A 146 -13.966 0.094 4.279 1.00 0.00 C ATOM 419 C GLU A 146 -15.035 0.974 4.913 1.00 0.00 C ATOM 420 O GLU A 146 -16.143 0.518 5.189 1.00 0.00 O ATOM 421 CB GLU A 146 -12.988 -0.395 5.349 1.00 0.00 C ATOM 422 CG GLU A 146 -11.949 -1.373 4.824 1.00 0.00 C ATOM 423 CD GLU A 146 -11.005 -1.855 5.908 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.487 -2.451 6.894 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.783 -1.637 5.770 1.00 0.00 O ATOM 0 H GLU A 146 -12.260 0.947 3.409 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.451 -0.770 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.478 0.465 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.550 -0.872 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.454 -2.230 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.373 -0.895 4.031 1.00 0.00 H new ATOM 432 N ASN A 147 -14.693 2.240 5.138 1.00 0.00 N ATOM 433 CA ASN A 147 -15.624 3.188 5.734 1.00 0.00 C ATOM 434 C ASN A 147 -16.889 3.300 4.891 1.00 0.00 C ATOM 435 O ASN A 147 -18.003 3.279 5.417 1.00 0.00 O ATOM 436 CB ASN A 147 -14.966 4.563 5.874 1.00 0.00 C ATOM 437 CG ASN A 147 -13.758 4.550 6.797 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.460 3.395 7.388 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -13.099 5.573 6.980 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.777 2.631 4.916 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.896 2.823 6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.660 4.916 4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -15.700 5.274 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -13.360 6.439 6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -12.292 5.555 7.603 1.00 0.00 H new ATOM 446 N MET A 148 -16.709 3.418 3.580 1.00 0.00 N ATOM 447 CA MET A 148 -17.834 3.529 2.660 1.00 0.00 C ATOM 448 C MET A 148 -18.658 2.245 2.649 1.00 0.00 C ATOM 449 O MET A 148 -19.884 2.284 2.718 1.00 0.00 O ATOM 450 CB MET A 148 -17.335 3.844 1.249 1.00 0.00 C ATOM 451 CG MET A 148 -16.514 5.121 1.166 1.00 0.00 C ATOM 452 SD MET A 148 -17.424 6.574 1.728 1.00 0.00 S ATOM 453 CE MET A 148 -18.778 6.603 0.556 1.00 0.00 C ATOM 0 H MET A 148 -15.794 3.439 3.131 1.00 0.00 H new ATOM 0 HA MET A 148 -18.473 4.344 3.002 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.732 3.010 0.891 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.191 3.928 0.580 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.612 5.008 1.767 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.193 5.275 0.136 1.00 0.00 H new ATOM 0 HE1 MET A 148 -18.858 7.597 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.594 5.872 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 148 -19.708 6.357 1.068 1.00 0.00 H new ATOM 463 N ILE A 149 -17.972 1.108 2.567 1.00 0.00 N ATOM 464 CA ILE A 149 -18.637 -0.191 2.549 1.00 0.00 C ATOM 465 C ILE A 149 -19.537 -0.366 3.767 1.00 0.00 C ATOM 466 O ILE A 149 -20.682 -0.801 3.648 1.00 0.00 O ATOM 467 CB ILE A 149 -17.611 -1.343 2.512 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.778 -1.273 1.228 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.319 -2.688 2.621 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.671 -2.305 1.166 1.00 0.00 C ATOM 0 H ILE A 149 -16.955 1.060 2.512 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.246 -0.224 1.645 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.939 -1.239 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.437 -1.407 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.341 -0.278 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.582 -3.490 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.870 -2.734 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -19.012 -2.803 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -15.124 -2.196 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.990 -2.158 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -16.102 -3.305 1.220 1.00 0.00 H new ATOM 482 N GLN A 150 -19.011 -0.026 4.938 1.00 0.00 N ATOM 483 CA GLN A 150 -19.766 -0.146 6.180 1.00 0.00 C ATOM 484 C GLN A 150 -21.000 0.749 6.158 1.00 0.00 C ATOM 485 O GLN A 150 -22.074 0.353 6.607 1.00 0.00 O ATOM 486 CB GLN A 150 -18.881 0.212 7.373 1.00 0.00 C ATOM 487 CG GLN A 150 -17.698 -0.727 7.547 1.00 0.00 C ATOM 488 CD GLN A 150 -16.796 -0.320 8.692 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.228 -0.245 9.842 1.00 0.00 O ATOM 490 NE2 GLN A 150 -15.535 -0.053 8.382 1.00 0.00 N ATOM 0 H GLN A 150 -18.064 0.335 5.054 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.095 -1.181 6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.513 1.231 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.484 0.198 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -18.064 -1.739 7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -17.119 -0.751 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -15.221 -0.128 7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -14.879 0.228 9.111 1.00 0.00 H new ATOM 499 N THR A 151 -20.836 1.960 5.638 1.00 0.00 N ATOM 500 CA THR A 151 -21.934 2.918 5.559 1.00 0.00 C ATOM 501 C THR A 151 -23.042 2.428 4.626 1.00 0.00 C ATOM 502 O THR A 151 -24.225 2.644 4.883 1.00 0.00 O ATOM 503 CB THR A 151 -21.439 4.294 5.071 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.418 4.785 5.948 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.584 5.295 5.012 1.00 0.00 C ATOM 0 H THR A 151 -19.951 2.303 5.264 1.00 0.00 H new ATOM 0 HA THR A 151 -22.337 3.015 6.567 1.00 0.00 H new ATOM 0 HB THR A 151 -21.032 4.172 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.582 4.302 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.208 6.258 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.348 4.934 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.017 5.411 6.005 1.00 0.00 H new ATOM 513 N TYR A 152 -22.648 1.785 3.534 1.00 0.00 N ATOM 514 CA TYR A 152 -23.601 1.276 2.549 1.00 0.00 C ATOM 515 C TYR A 152 -24.313 0.015 3.036 1.00 0.00 C ATOM 516 O TYR A 152 -25.475 -0.218 2.704 1.00 0.00 O ATOM 517 CB TYR A 152 -22.884 0.986 1.225 1.00 0.00 C ATOM 518 CG TYR A 152 -22.435 2.224 0.471 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.096 3.398 1.136 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.346 2.213 -0.915 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.682 4.520 0.443 1.00 0.00 C ATOM 522 CE2 TYR A 152 -21.934 3.331 -1.615 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.604 4.481 -0.932 1.00 0.00 C ATOM 524 OH TYR A 152 -21.193 5.596 -1.626 1.00 0.00 O ATOM 0 H TYR A 152 -21.671 1.602 3.305 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.357 2.047 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.013 0.362 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.549 0.407 0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -22.157 3.433 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.604 1.314 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.421 5.422 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -21.871 3.303 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.486 5.346 -2.257 1.00 0.00 H new ATOM 649 N LYS A 161 -24.699 -1.319 -7.443 1.00 0.00 N ATOM 650 CA LYS A 161 -23.635 -1.011 -8.399 1.00 0.00 C ATOM 651 C LYS A 161 -22.514 -0.180 -7.778 1.00 0.00 C ATOM 652 O LYS A 161 -21.336 -0.521 -7.905 1.00 0.00 O ATOM 653 CB LYS A 161 -24.207 -0.280 -9.616 1.00 0.00 C ATOM 654 CG LYS A 161 -25.010 0.963 -9.266 1.00 0.00 C ATOM 655 CD LYS A 161 -25.495 1.698 -10.509 1.00 0.00 C ATOM 656 CE LYS A 161 -24.353 2.376 -11.257 1.00 0.00 C ATOM 657 NZ LYS A 161 -23.400 1.394 -11.844 1.00 0.00 N ATOM 0 HA LYS A 161 -23.204 -1.963 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -23.387 0.003 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.843 -0.967 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -25.867 0.681 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -24.396 1.634 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.995 0.994 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -26.234 2.446 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -24.762 3.001 -12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -23.817 3.037 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -23.016 1.772 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -22.622 1.223 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -23.896 0.500 -12.034 1.00 0.00 H new ATOM 671 N LEU A 162 -22.875 0.916 -7.121 1.00 0.00 N ATOM 672 CA LEU A 162 -21.891 1.787 -6.507 1.00 0.00 C ATOM 673 C LEU A 162 -21.069 1.037 -5.462 1.00 0.00 C ATOM 674 O LEU A 162 -19.844 1.175 -5.412 1.00 0.00 O ATOM 675 CB LEU A 162 -22.580 3.000 -5.887 1.00 0.00 C ATOM 676 CG LEU A 162 -21.648 3.964 -5.163 1.00 0.00 C ATOM 677 CD1 LEU A 162 -20.589 4.501 -6.114 1.00 0.00 C ATOM 678 CD2 LEU A 162 -22.439 5.105 -4.543 1.00 0.00 C ATOM 0 H LEU A 162 -23.842 1.219 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 162 -21.205 2.132 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -23.103 3.544 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -23.336 2.651 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 162 -21.145 3.420 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -19.933 5.187 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -20.002 3.672 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.072 5.028 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.757 5.784 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -22.970 5.647 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -23.157 4.703 -3.828 1.00 0.00 H new ATOM 690 N LEU A 163 -21.736 0.229 -4.639 1.00 0.00 N ATOM 691 CA LEU A 163 -21.037 -0.543 -3.621 1.00 0.00 C ATOM 692 C LEU A 163 -20.010 -1.457 -4.277 1.00 0.00 C ATOM 693 O LEU A 163 -18.896 -1.609 -3.779 1.00 0.00 O ATOM 694 CB LEU A 163 -22.008 -1.374 -2.779 1.00 0.00 C ATOM 695 CG LEU A 163 -21.344 -2.204 -1.677 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.672 -1.299 -0.655 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.357 -3.111 -1.002 1.00 0.00 C ATOM 0 H LEU A 163 -22.747 0.095 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.533 0.159 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.737 -0.705 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.559 -2.044 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 163 -20.579 -2.830 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.206 -1.908 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.911 -0.695 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.417 -0.645 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -21.863 -3.691 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.148 -2.506 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -22.788 -3.788 -1.740 1.00 0.00 H new ATOM 709 N LEU A 164 -20.391 -2.053 -5.407 1.00 0.00 N ATOM 710 CA LEU A 164 -19.497 -2.942 -6.141 1.00 0.00 C ATOM 711 C LEU A 164 -18.190 -2.227 -6.453 1.00 0.00 C ATOM 712 O LEU A 164 -17.110 -2.797 -6.311 1.00 0.00 O ATOM 713 CB LEU A 164 -20.153 -3.421 -7.439 1.00 0.00 C ATOM 714 CG LEU A 164 -21.383 -4.315 -7.261 1.00 0.00 C ATOM 715 CD1 LEU A 164 -21.985 -4.668 -8.612 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.022 -5.579 -6.494 1.00 0.00 C ATOM 0 H LEU A 164 -21.311 -1.935 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.290 -3.812 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.441 -2.548 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.410 -3.965 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.126 -3.764 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.858 -5.304 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.283 -3.755 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.246 -5.199 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -21.910 -6.200 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.260 -6.133 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.637 -5.310 -5.510 1.00 0.00 H new ATOM 728 N THR A 165 -18.300 -0.968 -6.868 1.00 0.00 N ATOM 729 CA THR A 165 -17.125 -0.166 -7.185 1.00 0.00 C ATOM 730 C THR A 165 -16.197 -0.090 -5.979 1.00 0.00 C ATOM 731 O THR A 165 -14.985 -0.275 -6.101 1.00 0.00 O ATOM 732 CB THR A 165 -17.515 1.262 -7.613 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.355 1.216 -8.773 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.278 2.098 -7.912 1.00 0.00 C ATOM 0 H THR A 165 -19.189 -0.483 -6.992 1.00 0.00 H new ATOM 0 HA THR A 165 -16.613 -0.651 -8.016 1.00 0.00 H new ATOM 0 HB THR A 165 -18.057 1.726 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 165 -18.599 2.128 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.581 3.101 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.655 2.158 -7.020 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.711 1.634 -8.719 1.00 0.00 H new ATOM 742 N ALA A 166 -16.779 0.174 -4.813 1.00 0.00 N ATOM 743 CA ALA A 166 -16.011 0.264 -3.577 1.00 0.00 C ATOM 744 C ALA A 166 -15.394 -1.086 -3.223 1.00 0.00 C ATOM 745 O ALA A 166 -14.247 -1.158 -2.780 1.00 0.00 O ATOM 746 CB ALA A 166 -16.893 0.759 -2.441 1.00 0.00 C ATOM 0 H ALA A 166 -17.781 0.329 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.202 0.979 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.306 0.821 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.285 1.746 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.721 0.066 -2.295 1.00 0.00 H new ATOM 752 N GLN A 167 -16.161 -2.153 -3.430 1.00 0.00 N ATOM 753 CA GLN A 167 -15.697 -3.504 -3.144 1.00 0.00 C ATOM 754 C GLN A 167 -14.421 -3.804 -3.923 1.00 0.00 C ATOM 755 O GLN A 167 -13.440 -4.300 -3.367 1.00 0.00 O ATOM 756 CB GLN A 167 -16.785 -4.522 -3.498 1.00 0.00 C ATOM 757 CG GLN A 167 -18.040 -4.393 -2.646 1.00 0.00 C ATOM 758 CD GLN A 167 -17.786 -4.708 -1.187 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.062 -3.745 -0.317 1.00 0.00 O flip ATOM 760 NE2 GLN A 167 -17.346 -5.806 -0.843 1.00 0.00 N flip ATOM 0 H GLN A 167 -17.112 -2.105 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.479 -3.579 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -17.055 -4.403 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -16.381 -5.528 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -18.431 -3.379 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.807 -5.065 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -17.147 -6.519 -1.545 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -17.180 -6.003 0.144 1.00 0.00 H new ATOM 769 N GLN A 168 -14.439 -3.481 -5.213 1.00 0.00 N ATOM 770 CA GLN A 168 -13.281 -3.699 -6.069 1.00 0.00 C ATOM 771 C GLN A 168 -12.104 -2.867 -5.576 1.00 0.00 C ATOM 772 O GLN A 168 -10.958 -3.314 -5.601 1.00 0.00 O ATOM 773 CB GLN A 168 -13.613 -3.337 -7.518 1.00 0.00 C ATOM 774 CG GLN A 168 -12.471 -3.597 -8.488 1.00 0.00 C ATOM 775 CD GLN A 168 -12.825 -3.240 -9.918 1.00 0.00 C ATOM 776 OE1 GLN A 168 -13.132 -2.087 -10.224 1.00 0.00 O ATOM 777 NE2 GLN A 168 -12.783 -4.228 -10.803 1.00 0.00 N ATOM 0 H GLN A 168 -15.242 -3.068 -5.686 1.00 0.00 H new ATOM 0 HA GLN A 168 -13.010 -4.754 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.485 -3.908 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.887 -2.283 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -11.599 -3.020 -8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.191 -4.649 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.523 -5.168 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -13.010 -4.047 -11.781 1.00 0.00 H new ATOM 786 N MET A 169 -12.402 -1.650 -5.124 1.00 0.00 N ATOM 787 CA MET A 169 -11.378 -0.746 -4.613 1.00 0.00 C ATOM 788 C MET A 169 -10.651 -1.352 -3.421 1.00 0.00 C ATOM 789 O MET A 169 -9.424 -1.317 -3.349 1.00 0.00 O ATOM 790 CB MET A 169 -12.002 0.590 -4.213 1.00 0.00 C ATOM 791 CG MET A 169 -12.391 1.458 -5.397 1.00 0.00 C ATOM 792 SD MET A 169 -10.991 1.798 -6.480 1.00 0.00 S ATOM 793 CE MET A 169 -9.778 2.359 -5.288 1.00 0.00 C ATOM 0 H MET A 169 -13.348 -1.268 -5.102 1.00 0.00 H new ATOM 0 HA MET A 169 -10.652 -0.581 -5.409 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.887 0.401 -3.606 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.297 1.138 -3.587 1.00 0.00 H new ATOM 0 HG2 MET A 169 -13.177 0.962 -5.967 1.00 0.00 H new ATOM 0 HG3 MET A 169 -12.805 2.399 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 169 -8.976 2.886 -5.805 1.00 0.00 H new ATOM 0 HE2 MET A 169 -10.253 3.032 -4.574 1.00 0.00 H new ATOM 0 HE3 MET A 169 -9.365 1.501 -4.758 1.00 0.00 H new ATOM 803 N LEU A 170 -11.417 -1.902 -2.488 1.00 0.00 N ATOM 804 CA LEU A 170 -10.848 -2.515 -1.292 1.00 0.00 C ATOM 805 C LEU A 170 -9.852 -3.606 -1.672 1.00 0.00 C ATOM 806 O LEU A 170 -8.745 -3.664 -1.135 1.00 0.00 O ATOM 807 CB LEU A 170 -11.969 -3.087 -0.410 1.00 0.00 C ATOM 808 CG LEU A 170 -11.542 -3.651 0.955 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.845 -4.996 0.802 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.640 -2.668 1.687 1.00 0.00 C ATOM 0 H LEU A 170 -12.435 -1.937 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 170 -10.314 -1.751 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.705 -2.301 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.471 -3.879 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 170 -12.444 -3.802 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.555 -5.369 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.524 -5.706 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.956 -4.877 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.350 -3.088 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.748 -2.479 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -11.175 -1.732 1.846 1.00 0.00 H new ATOM 822 N GLN A 171 -10.249 -4.469 -2.602 1.00 0.00 N ATOM 823 CA GLN A 171 -9.387 -5.557 -3.053 1.00 0.00 C ATOM 824 C GLN A 171 -8.123 -5.014 -3.714 1.00 0.00 C ATOM 825 O GLN A 171 -7.024 -5.518 -3.483 1.00 0.00 O ATOM 826 CB GLN A 171 -10.139 -6.465 -4.029 1.00 0.00 C ATOM 827 CG GLN A 171 -9.312 -7.642 -4.521 1.00 0.00 C ATOM 828 CD GLN A 171 -10.081 -8.537 -5.472 1.00 0.00 C ATOM 829 OE1 GLN A 171 -11.114 -9.100 -5.114 1.00 0.00 O ATOM 830 NE2 GLN A 171 -9.577 -8.676 -6.694 1.00 0.00 N ATOM 0 H GLN A 171 -11.161 -4.436 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.096 -6.140 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.039 -6.841 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.463 -5.875 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.418 -7.269 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -8.977 -8.229 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -8.717 -8.190 -6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -10.050 -9.268 -7.376 1.00 0.00 H new ATOM 839 N ASP A 172 -8.290 -3.985 -4.539 1.00 0.00 N ATOM 840 CA ASP A 172 -7.166 -3.371 -5.239 1.00 0.00 C ATOM 841 C ASP A 172 -6.161 -2.786 -4.249 1.00 0.00 C ATOM 842 O ASP A 172 -4.950 -2.949 -4.410 1.00 0.00 O ATOM 843 CB ASP A 172 -7.669 -2.275 -6.182 1.00 0.00 C ATOM 844 CG ASP A 172 -6.559 -1.665 -7.020 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.403 -2.127 -6.907 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.848 -0.729 -7.794 1.00 0.00 O ATOM 0 H ASP A 172 -9.194 -3.558 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.664 -4.143 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.430 -2.691 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -8.149 -1.491 -5.597 1.00 0.00 H new ATOM 851 N SER A 173 -6.671 -2.104 -3.229 1.00 0.00 N ATOM 852 CA SER A 173 -5.823 -1.490 -2.213 1.00 0.00 C ATOM 853 C SER A 173 -4.944 -2.531 -1.529 1.00 0.00 C ATOM 854 O SER A 173 -3.754 -2.306 -1.313 1.00 0.00 O ATOM 855 CB SER A 173 -6.680 -0.765 -1.174 1.00 0.00 C ATOM 856 OG SER A 173 -7.467 0.247 -1.778 1.00 0.00 O ATOM 0 H SER A 173 -7.671 -1.962 -3.084 1.00 0.00 H new ATOM 0 HA SER A 173 -5.175 -0.767 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.328 -1.481 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.038 -0.324 -0.412 1.00 0.00 H new ATOM 0 HG SER A 173 -8.160 -0.166 -2.334 1.00 0.00 H new ATOM 862 N LYS A 174 -5.539 -3.672 -1.190 1.00 0.00 N ATOM 863 CA LYS A 174 -4.806 -4.748 -0.531 1.00 0.00 C ATOM 864 C LYS A 174 -3.640 -5.216 -1.396 1.00 0.00 C ATOM 865 O LYS A 174 -2.533 -5.424 -0.900 1.00 0.00 O ATOM 866 CB LYS A 174 -5.737 -5.925 -0.233 1.00 0.00 C ATOM 867 CG LYS A 174 -6.931 -5.557 0.634 1.00 0.00 C ATOM 868 CD LYS A 174 -7.797 -6.769 0.953 1.00 0.00 C ATOM 869 CE LYS A 174 -7.112 -7.725 1.920 1.00 0.00 C ATOM 870 NZ LYS A 174 -5.906 -8.367 1.326 1.00 0.00 N ATOM 0 H LYS A 174 -6.524 -3.874 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.411 -4.362 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.097 -6.339 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.167 -6.711 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.580 -5.107 1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.533 -4.805 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.742 -6.436 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.035 -7.297 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -6.825 -7.182 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -7.818 -8.497 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -5.793 -9.323 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -6.018 -8.428 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -5.064 -7.799 1.550 1.00 0.00 H new ATOM 884 N THR A 175 -3.901 -5.381 -2.689 1.00 0.00 N ATOM 885 CA THR A 175 -2.877 -5.828 -3.629 1.00 0.00 C ATOM 886 C THR A 175 -1.675 -4.889 -3.621 1.00 0.00 C ATOM 887 O THR A 175 -0.527 -5.338 -3.621 1.00 0.00 O ATOM 888 CB THR A 175 -3.435 -5.925 -5.062 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.549 -6.825 -5.095 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.366 -6.405 -6.034 1.00 0.00 C ATOM 0 H THR A 175 -4.814 -5.212 -3.111 1.00 0.00 H new ATOM 0 HA THR A 175 -2.559 -6.819 -3.305 1.00 0.00 H new ATOM 0 HB THR A 175 -3.759 -4.930 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.307 -6.425 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.787 -6.464 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.531 -5.704 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.014 -7.391 -5.730 1.00 0.00 H new ATOM 898 N LYS A 176 -1.943 -3.586 -3.612 1.00 0.00 N ATOM 899 CA LYS A 176 -0.879 -2.587 -3.603 1.00 0.00 C ATOM 900 C LYS A 176 0.045 -2.793 -2.406 1.00 0.00 C ATOM 901 O LYS A 176 1.267 -2.834 -2.553 1.00 0.00 O ATOM 902 CB LYS A 176 -1.472 -1.177 -3.565 1.00 0.00 C ATOM 903 CG LYS A 176 -2.352 -0.855 -4.764 1.00 0.00 C ATOM 904 CD LYS A 176 -2.922 0.557 -4.693 1.00 0.00 C ATOM 905 CE LYS A 176 -1.845 1.622 -4.869 1.00 0.00 C ATOM 906 NZ LYS A 176 -0.885 1.651 -3.731 1.00 0.00 N ATOM 0 H LYS A 176 -2.886 -3.198 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.297 -2.703 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -2.058 -1.063 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.660 -0.451 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.771 -0.966 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -3.170 -1.574 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -3.682 0.680 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -3.418 0.699 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -1.301 1.436 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.317 2.600 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -0.626 2.636 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -1.327 1.222 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -0.030 1.115 -3.984 1.00 0.00 H new ATOM 920 N ILE A 177 -0.549 -2.924 -1.224 1.00 0.00 N ATOM 921 CA ILE A 177 0.213 -3.128 0.001 1.00 0.00 C ATOM 922 C ILE A 177 1.087 -4.378 -0.094 1.00 0.00 C ATOM 923 O ILE A 177 2.237 -4.373 0.343 1.00 0.00 O ATOM 924 CB ILE A 177 -0.720 -3.243 1.225 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.590 -1.985 1.331 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.092 -3.454 2.497 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.540 -1.985 2.510 1.00 0.00 C ATOM 0 H ILE A 177 -1.560 -2.892 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 177 0.856 -2.257 0.128 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.371 -4.108 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.940 -1.113 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.168 -1.878 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.582 -3.533 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.675 -4.371 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.765 -2.609 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.118 -1.061 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.217 -2.836 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.970 -2.058 3.436 1.00 0.00 H new ATOM 939 N ASP A 178 0.536 -5.445 -0.671 1.00 0.00 N ATOM 940 CA ASP A 178 1.277 -6.694 -0.826 1.00 0.00 C ATOM 941 C ASP A 178 2.541 -6.469 -1.649 1.00 0.00 C ATOM 942 O ASP A 178 3.624 -6.930 -1.284 1.00 0.00 O ATOM 943 CB ASP A 178 0.404 -7.759 -1.493 1.00 0.00 C ATOM 944 CG ASP A 178 -0.819 -8.107 -0.667 1.00 0.00 C ATOM 945 OD1 ASP A 178 -0.648 -8.528 0.496 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.946 -7.965 -1.186 1.00 0.00 O ATOM 0 H ASP A 178 -0.416 -5.469 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 178 1.561 -7.044 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.087 -7.403 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.996 -8.659 -1.657 1.00 0.00 H new ATOM 951 N ILE A 179 2.395 -5.748 -2.758 1.00 0.00 N ATOM 952 CA ILE A 179 3.524 -5.450 -3.629 1.00 0.00 C ATOM 953 C ILE A 179 4.607 -4.704 -2.858 1.00 0.00 C ATOM 954 O ILE A 179 5.799 -4.956 -3.037 1.00 0.00 O ATOM 955 CB ILE A 179 3.093 -4.601 -4.843 1.00 0.00 C ATOM 956 CG1 ILE A 179 1.998 -5.321 -5.640 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.291 -4.294 -5.732 1.00 0.00 C ATOM 958 CD1 ILE A 179 2.421 -6.671 -6.182 1.00 0.00 C ATOM 0 H ILE A 179 1.506 -5.360 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 179 3.916 -6.401 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 179 2.687 -3.658 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 179 1.125 -5.454 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.691 -4.687 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 179 3.968 -3.694 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.036 -3.741 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.727 -5.227 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.593 -7.117 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 179 3.274 -6.544 -6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.700 -7.324 -5.355 1.00 0.00 H new ATOM 970 N ILE A 180 4.177 -3.789 -1.996 1.00 0.00 N ATOM 971 CA ILE A 180 5.097 -3.004 -1.185 1.00 0.00 C ATOM 972 C ILE A 180 5.929 -3.905 -0.284 1.00 0.00 C ATOM 973 O ILE A 180 7.148 -3.760 -0.202 1.00 0.00 O ATOM 974 CB ILE A 180 4.341 -1.988 -0.308 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.453 -1.090 -1.171 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.319 -1.155 0.511 1.00 0.00 C ATOM 977 CD1 ILE A 180 4.210 -0.264 -2.188 1.00 0.00 C ATOM 0 H ILE A 180 3.192 -3.573 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 180 5.752 -2.468 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 180 3.701 -2.538 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 180 2.725 -1.711 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.891 -0.420 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.766 -0.443 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.905 -1.811 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.987 -0.614 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 180 3.508 0.344 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 180 4.919 0.386 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 180 4.750 -0.926 -2.865 1.00 0.00 H new ATOM 989 N ARG A 181 5.260 -4.836 0.391 1.00 0.00 N ATOM 990 CA ARG A 181 5.934 -5.765 1.289 1.00 0.00 C ATOM 991 C ARG A 181 7.079 -6.461 0.563 1.00 0.00 C ATOM 992 O ARG A 181 8.169 -6.625 1.112 1.00 0.00 O ATOM 993 CB ARG A 181 4.945 -6.802 1.825 1.00 0.00 C ATOM 994 CG ARG A 181 5.493 -7.636 2.974 1.00 0.00 C ATOM 995 CD ARG A 181 5.730 -6.784 4.212 1.00 0.00 C ATOM 996 NE ARG A 181 6.250 -7.566 5.332 1.00 0.00 N ATOM 997 CZ ARG A 181 7.445 -8.149 5.336 1.00 0.00 C ATOM 998 NH1 ARG A 181 8.249 -8.031 4.289 1.00 0.00 N ATOM 999 NH2 ARG A 181 7.840 -8.848 6.392 1.00 0.00 N ATOM 0 H ARG A 181 4.250 -4.966 0.332 1.00 0.00 H new ATOM 0 HA ARG A 181 6.339 -5.202 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 181 4.042 -6.291 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.654 -7.467 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 181 4.793 -8.438 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 181 6.428 -8.108 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 181 6.432 -5.986 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 181 4.795 -6.308 4.507 1.00 0.00 H new ATOM 0 HE ARG A 181 5.662 -7.671 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 181 7.952 -7.491 3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 181 9.165 -8.480 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 181 7.227 -8.939 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 181 8.757 -9.295 6.394 1.00 0.00 H new ATOM 1013 N MET A 182 6.823 -6.857 -0.681 1.00 0.00 N ATOM 1014 CA MET A 182 7.832 -7.524 -1.495 1.00 0.00 C ATOM 1015 C MET A 182 9.040 -6.615 -1.702 1.00 0.00 C ATOM 1016 O MET A 182 10.185 -7.060 -1.622 1.00 0.00 O ATOM 1017 CB MET A 182 7.241 -7.926 -2.847 1.00 0.00 C ATOM 1018 CG MET A 182 6.067 -8.885 -2.737 1.00 0.00 C ATOM 1019 SD MET A 182 5.377 -9.326 -4.344 1.00 0.00 S ATOM 1020 CE MET A 182 6.801 -10.078 -5.130 1.00 0.00 C ATOM 0 H MET A 182 5.925 -6.727 -1.146 1.00 0.00 H new ATOM 0 HA MET A 182 8.158 -8.422 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.918 -7.028 -3.374 1.00 0.00 H new ATOM 0 HB3 MET A 182 8.021 -8.388 -3.452 1.00 0.00 H new ATOM 0 HG2 MET A 182 6.390 -9.791 -2.224 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.288 -8.431 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 182 6.473 -10.678 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 182 7.479 -9.298 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 182 7.318 -10.716 -4.413 1.00 0.00 H new ATOM 1030 N GLN A 183 8.774 -5.338 -1.965 1.00 0.00 N ATOM 1031 CA GLN A 183 9.837 -4.362 -2.182 1.00 0.00 C ATOM 1032 C GLN A 183 10.716 -4.241 -0.942 1.00 0.00 C ATOM 1033 O GLN A 183 11.944 -4.248 -1.035 1.00 0.00 O ATOM 1034 CB GLN A 183 9.242 -2.997 -2.534 1.00 0.00 C ATOM 1035 CG GLN A 183 8.338 -3.022 -3.757 1.00 0.00 C ATOM 1036 CD GLN A 183 9.076 -3.346 -5.047 1.00 0.00 C ATOM 1037 OE1 GLN A 183 10.401 -3.436 -4.981 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 8.457 -3.503 -6.100 1.00 0.00 N flip ATOM 0 H GLN A 183 7.831 -4.955 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 183 10.452 -4.706 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.674 -2.627 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.054 -2.290 -2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 183 7.550 -3.760 -3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.851 -2.052 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 183 7.440 -3.426 -6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 183 8.961 -3.710 -6.962 1.00 0.00 H new ATOM 1047 N LEU A 184 10.076 -4.138 0.219 1.00 0.00 N ATOM 1048 CA LEU A 184 10.791 -4.025 1.485 1.00 0.00 C ATOM 1049 C LEU A 184 11.719 -5.217 1.693 1.00 0.00 C ATOM 1050 O LEU A 184 12.858 -5.061 2.134 1.00 0.00 O ATOM 1051 CB LEU A 184 9.802 -3.913 2.650 1.00 0.00 C ATOM 1052 CG LEU A 184 9.241 -2.509 2.911 1.00 0.00 C ATOM 1053 CD1 LEU A 184 10.344 -1.578 3.385 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.572 -1.945 1.663 1.00 0.00 C ATOM 0 H LEU A 184 9.060 -4.131 0.309 1.00 0.00 H new ATOM 0 HA LEU A 184 11.398 -3.120 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.968 -4.589 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.296 -4.262 3.557 1.00 0.00 H new ATOM 0 HG LEU A 184 8.486 -2.587 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.930 -0.586 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 184 10.775 -1.965 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 184 11.119 -1.514 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 184 8.184 -0.949 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.301 -1.884 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.752 -2.598 1.363 1.00 0.00 H new ATOM 1066 N ARG A 185 11.225 -6.409 1.368 1.00 0.00 N ATOM 1067 CA ARG A 185 12.012 -7.630 1.514 1.00 0.00 C ATOM 1068 C ARG A 185 13.279 -7.564 0.669 1.00 0.00 C ATOM 1069 O ARG A 185 14.369 -7.891 1.138 1.00 0.00 O ATOM 1070 CB ARG A 185 11.184 -8.850 1.108 1.00 0.00 C ATOM 1071 CG ARG A 185 9.944 -9.057 1.961 1.00 0.00 C ATOM 1072 CD ARG A 185 9.150 -10.271 1.505 1.00 0.00 C ATOM 1073 NE ARG A 185 9.934 -11.501 1.577 1.00 0.00 N ATOM 1074 CZ ARG A 185 10.390 -12.025 2.712 1.00 0.00 C ATOM 1075 NH1 ARG A 185 10.125 -11.440 3.873 1.00 0.00 N ATOM 1076 NH2 ARG A 185 11.106 -13.141 2.687 1.00 0.00 N ATOM 0 H ARG A 185 10.284 -6.555 1.002 1.00 0.00 H new ATOM 0 HA ARG A 185 12.296 -7.723 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.884 -8.744 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 185 11.810 -9.740 1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 185 10.235 -9.182 3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.314 -8.169 1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.259 -10.373 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 185 8.811 -10.118 0.480 1.00 0.00 H new ATOM 0 HE ARG A 185 10.145 -11.987 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.570 -10.585 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 185 10.477 -11.845 4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 185 11.307 -13.598 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 185 11.455 -13.542 3.557 1.00 0.00 H new ATOM 1090 N ARG A 186 13.124 -7.141 -0.581 1.00 0.00 N ATOM 1091 CA ARG A 186 14.249 -7.030 -1.503 1.00 0.00 C ATOM 1092 C ARG A 186 15.289 -6.044 -0.983 1.00 0.00 C ATOM 1093 O ARG A 186 16.492 -6.259 -1.136 1.00 0.00 O ATOM 1094 CB ARG A 186 13.759 -6.587 -2.884 1.00 0.00 C ATOM 1095 CG ARG A 186 12.771 -7.554 -3.517 1.00 0.00 C ATOM 1096 CD ARG A 186 12.289 -7.051 -4.868 1.00 0.00 C ATOM 1097 NE ARG A 186 13.387 -6.880 -5.817 1.00 0.00 N ATOM 1098 CZ ARG A 186 14.148 -7.879 -6.259 1.00 0.00 C ATOM 1099 NH1 ARG A 186 13.920 -9.123 -5.858 1.00 0.00 N ATOM 1100 NH2 ARG A 186 15.136 -7.633 -7.108 1.00 0.00 N ATOM 0 H ARG A 186 12.226 -6.868 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 186 14.716 -8.012 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.291 -5.607 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 186 14.618 -6.472 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 186 13.241 -8.530 -3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 186 11.918 -7.691 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 186 11.563 -7.754 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 186 11.773 -6.100 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 186 13.582 -5.940 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 186 13.159 -9.318 -5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 186 14.506 -9.885 -6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 186 15.313 -6.679 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 186 15.719 -8.398 -7.447 1.00 0.00 H new ATOM 1114 N ALA A 187 14.818 -4.963 -0.370 1.00 0.00 N ATOM 1115 CA ALA A 187 15.707 -3.941 0.171 1.00 0.00 C ATOM 1116 C ALA A 187 16.589 -4.510 1.273 1.00 0.00 C ATOM 1117 O ALA A 187 17.803 -4.305 1.279 1.00 0.00 O ATOM 1118 CB ALA A 187 14.897 -2.766 0.697 1.00 0.00 C ATOM 0 H ALA A 187 13.825 -4.772 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 187 16.355 -3.593 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.572 -2.010 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.311 -2.336 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 187 14.227 -3.110 1.485 1.00 0.00 H new