USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -2.67! C(o=-2.7!,f=-6.6!) USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= -0.022 (180deg=-0.232) USER MOD Single : A 142 LYS NZ :NH3+ -173:sc= -2.52! (180deg=-2.56!) USER MOD Single : A 143 GLN :FLIP amide:sc= -0.479 F(o=-2.9!,f=-0.48) USER MOD Single : A 147 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.5!) USER MOD Single : A 148 MET CE :methyl -139:sc= -0.262 (180deg=-1.96!) USER MOD Single : A 150 GLN :FLIP amide:sc= -0.438 F(o=-0.98!,f=-0.44) USER MOD Single : A 151 THR OG1 : rot 73:sc= 0.931 USER MOD Single : A 152 TYR OH : rot 30:sc= -0.101 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 GLN : amide:sc= -1.53 K(o=-1.5,f=-6!) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 MET CE :methyl 161:sc= -2.58! (180deg=-2.97!) USER MOD Single : A 171 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.062) USER MOD Single : A 173 SER OG : rot 50:sc= -0.151 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 THR OG1 : rot 69:sc= 0.0102 USER MOD Single : A 176 LYS NZ :NH3+ 167:sc= -0.0282 (180deg=-0.238) USER MOD Single : A 182 MET CE :methyl 160:sc= -0.159 (180deg=-0.711) USER MOD Single : A 183 GLN : amide:sc= -0.72 K(o=-0.72,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.883 5.897 -1.685 1.00 0.00 N ATOM 112 CA ARG A 127 14.116 4.656 -1.670 1.00 0.00 C ATOM 113 C ARG A 127 13.283 4.537 -0.398 1.00 0.00 C ATOM 114 O ARG A 127 12.125 4.123 -0.441 1.00 0.00 O ATOM 115 CB ARG A 127 15.045 3.448 -1.797 1.00 0.00 C ATOM 116 CG ARG A 127 15.770 3.375 -3.132 1.00 0.00 C ATOM 117 CD ARG A 127 16.626 2.123 -3.230 1.00 0.00 C ATOM 118 NE ARG A 127 17.266 1.998 -4.537 1.00 0.00 N ATOM 119 CZ ARG A 127 18.074 0.995 -4.869 1.00 0.00 C ATOM 120 NH1 ARG A 127 18.351 0.042 -3.988 1.00 0.00 N ATOM 121 NH2 ARG A 127 18.606 0.944 -6.083 1.00 0.00 N ATOM 0 HA ARG A 127 13.439 4.676 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.782 3.481 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.463 2.537 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.043 3.385 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 127 16.398 4.257 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.390 2.145 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.007 1.245 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 127 17.083 2.720 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.944 0.077 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.971 -0.726 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 127 18.396 1.674 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 127 19.226 0.174 -6.336 1.00 0.00 H new ATOM 135 N VAL A 128 13.881 4.899 0.732 1.00 0.00 N ATOM 136 CA VAL A 128 13.197 4.829 2.019 1.00 0.00 C ATOM 137 C VAL A 128 11.908 5.646 2.009 1.00 0.00 C ATOM 138 O VAL A 128 10.843 5.146 2.366 1.00 0.00 O ATOM 139 CB VAL A 128 14.104 5.334 3.157 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.342 5.385 4.472 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.341 4.457 3.284 1.00 0.00 C ATOM 0 H VAL A 128 14.839 5.244 0.783 1.00 0.00 H new ATOM 0 HA VAL A 128 12.952 3.781 2.191 1.00 0.00 H new ATOM 0 HB VAL A 128 14.426 6.346 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.002 5.744 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.492 6.061 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.985 4.387 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.970 4.829 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.040 3.432 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.901 4.480 2.349 1.00 0.00 H new ATOM 151 N ALA A 129 12.015 6.904 1.600 1.00 0.00 N ATOM 152 CA ALA A 129 10.863 7.793 1.545 1.00 0.00 C ATOM 153 C ALA A 129 9.816 7.275 0.566 1.00 0.00 C ATOM 154 O ALA A 129 8.617 7.333 0.839 1.00 0.00 O ATOM 155 CB ALA A 129 11.304 9.197 1.164 1.00 0.00 C ATOM 0 H ALA A 129 12.891 7.332 1.301 1.00 0.00 H new ATOM 0 HA ALA A 129 10.407 7.824 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.435 9.854 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.009 9.571 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.785 9.175 0.186 1.00 0.00 H new ATOM 161 N GLY A 130 10.277 6.769 -0.573 1.00 0.00 N ATOM 162 CA GLY A 130 9.369 6.248 -1.576 1.00 0.00 C ATOM 163 C GLY A 130 8.547 5.080 -1.065 1.00 0.00 C ATOM 164 O GLY A 130 7.343 5.008 -1.304 1.00 0.00 O ATOM 0 H GLY A 130 11.265 6.711 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.700 7.043 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.940 5.932 -2.449 1.00 0.00 H new ATOM 168 N LEU A 131 9.199 4.162 -0.363 1.00 0.00 N ATOM 169 CA LEU A 131 8.524 2.991 0.182 1.00 0.00 C ATOM 170 C LEU A 131 7.540 3.383 1.282 1.00 0.00 C ATOM 171 O LEU A 131 6.438 2.842 1.363 1.00 0.00 O ATOM 172 CB LEU A 131 9.550 1.997 0.733 1.00 0.00 C ATOM 173 CG LEU A 131 10.550 1.457 -0.292 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.561 0.543 0.384 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.828 0.718 -1.409 1.00 0.00 C ATOM 0 H LEU A 131 10.197 4.206 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 131 7.964 2.521 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.104 2.480 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.016 1.155 1.174 1.00 0.00 H new ATOM 0 HG LEU A 131 11.083 2.301 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.265 0.167 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.102 1.101 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.041 -0.295 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.557 0.342 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.268 -0.118 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.142 1.399 -1.912 1.00 0.00 H new ATOM 187 N GLU A 132 7.952 4.319 2.132 1.00 0.00 N ATOM 188 CA GLU A 132 7.114 4.776 3.237 1.00 0.00 C ATOM 189 C GLU A 132 5.841 5.454 2.739 1.00 0.00 C ATOM 190 O GLU A 132 4.744 5.149 3.211 1.00 0.00 O ATOM 191 CB GLU A 132 7.897 5.732 4.136 1.00 0.00 C ATOM 192 CG GLU A 132 9.082 5.081 4.832 1.00 0.00 C ATOM 193 CD GLU A 132 8.671 3.927 5.725 1.00 0.00 C ATOM 194 OE1 GLU A 132 7.893 4.159 6.674 1.00 0.00 O ATOM 195 OE2 GLU A 132 9.126 2.791 5.476 1.00 0.00 O ATOM 0 H GLU A 132 8.862 4.777 2.077 1.00 0.00 H new ATOM 0 HA GLU A 132 6.821 3.897 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.254 6.570 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.224 6.142 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.787 4.722 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.604 5.829 5.428 1.00 0.00 H new ATOM 202 N LYS A 133 5.984 6.381 1.794 1.00 0.00 N ATOM 203 CA LYS A 133 4.828 7.098 1.260 1.00 0.00 C ATOM 204 C LYS A 133 3.825 6.131 0.634 1.00 0.00 C ATOM 205 O LYS A 133 2.616 6.275 0.819 1.00 0.00 O ATOM 206 CB LYS A 133 5.261 8.154 0.238 1.00 0.00 C ATOM 207 CG LYS A 133 5.928 7.584 -1.002 1.00 0.00 C ATOM 208 CD LYS A 133 6.298 8.681 -1.987 1.00 0.00 C ATOM 209 CE LYS A 133 6.927 8.113 -3.248 1.00 0.00 C ATOM 210 NZ LYS A 133 7.300 9.183 -4.213 1.00 0.00 N ATOM 0 H LYS A 133 6.879 6.651 1.386 1.00 0.00 H new ATOM 0 HA LYS A 133 4.340 7.606 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.387 8.730 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.949 8.849 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.824 7.034 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.257 6.872 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.407 9.251 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.993 9.376 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.814 7.537 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.229 7.423 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.726 8.754 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.450 9.717 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.986 9.827 -3.769 1.00 0.00 H new ATOM 224 N GLN A 134 4.331 5.142 -0.096 1.00 0.00 N ATOM 225 CA GLN A 134 3.472 4.149 -0.735 1.00 0.00 C ATOM 226 C GLN A 134 2.679 3.370 0.310 1.00 0.00 C ATOM 227 O GLN A 134 1.505 3.060 0.112 1.00 0.00 O ATOM 228 CB GLN A 134 4.304 3.187 -1.584 1.00 0.00 C ATOM 229 CG GLN A 134 5.010 3.854 -2.755 1.00 0.00 C ATOM 230 CD GLN A 134 4.045 4.405 -3.789 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.223 5.273 -3.492 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.142 3.903 -5.014 1.00 0.00 N ATOM 0 H GLN A 134 5.329 5.006 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 134 2.771 4.675 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.048 2.707 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.655 2.399 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.636 4.664 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.673 3.132 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 134 4.837 3.185 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.521 4.235 -5.752 1.00 0.00 H new ATOM 241 N LEU A 135 3.335 3.056 1.424 1.00 0.00 N ATOM 242 CA LEU A 135 2.704 2.311 2.509 1.00 0.00 C ATOM 243 C LEU A 135 1.481 3.063 3.030 1.00 0.00 C ATOM 244 O LEU A 135 0.439 2.468 3.305 1.00 0.00 O ATOM 245 CB LEU A 135 3.722 2.079 3.637 1.00 0.00 C ATOM 246 CG LEU A 135 3.335 1.039 4.701 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.195 1.540 5.572 1.00 0.00 C ATOM 248 CD2 LEU A 135 2.963 -0.283 4.044 1.00 0.00 C ATOM 0 H LEU A 135 4.308 3.307 1.599 1.00 0.00 H new ATOM 0 HA LEU A 135 2.370 1.344 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.667 1.773 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.900 3.031 4.138 1.00 0.00 H new ATOM 0 HG LEU A 135 4.201 0.878 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.944 0.782 6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.499 2.457 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.323 1.741 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.692 -1.007 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 135 2.117 -0.131 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.814 -0.659 3.475 1.00 0.00 H new ATOM 260 N ALA A 136 1.617 4.373 3.162 1.00 0.00 N ATOM 261 CA ALA A 136 0.526 5.210 3.646 1.00 0.00 C ATOM 262 C ALA A 136 -0.649 5.203 2.670 1.00 0.00 C ATOM 263 O ALA A 136 -1.810 5.216 3.082 1.00 0.00 O ATOM 264 CB ALA A 136 1.015 6.632 3.873 1.00 0.00 C ATOM 0 H ALA A 136 2.473 4.882 2.941 1.00 0.00 H new ATOM 0 HA ALA A 136 0.179 4.799 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.191 7.247 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.816 6.628 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.389 7.042 2.935 1.00 0.00 H new ATOM 270 N ILE A 137 -0.337 5.196 1.378 1.00 0.00 N ATOM 271 CA ILE A 137 -1.360 5.204 0.337 1.00 0.00 C ATOM 272 C ILE A 137 -2.199 3.926 0.342 1.00 0.00 C ATOM 273 O ILE A 137 -3.427 3.984 0.283 1.00 0.00 O ATOM 274 CB ILE A 137 -0.730 5.381 -1.060 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.068 6.686 -1.119 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.810 5.361 -2.135 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.774 6.908 -2.440 1.00 0.00 C ATOM 0 H ILE A 137 0.620 5.185 1.025 1.00 0.00 H new ATOM 0 HA ILE A 137 -2.012 6.049 0.557 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.048 4.551 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.606 7.522 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 137 0.807 6.686 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.350 5.487 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.339 4.408 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.515 6.173 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.318 7.852 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.473 6.092 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.039 6.941 -3.244 1.00 0.00 H new ATOM 289 N GLU A 138 -1.534 2.774 0.395 1.00 0.00 N ATOM 290 CA GLU A 138 -2.233 1.489 0.385 1.00 0.00 C ATOM 291 C GLU A 138 -3.199 1.371 1.564 1.00 0.00 C ATOM 292 O GLU A 138 -4.342 0.946 1.394 1.00 0.00 O ATOM 293 CB GLU A 138 -1.231 0.330 0.399 1.00 0.00 C ATOM 294 CG GLU A 138 -0.365 0.283 1.646 1.00 0.00 C ATOM 295 CD GLU A 138 0.699 -0.795 1.587 1.00 0.00 C ATOM 296 OE1 GLU A 138 1.510 -0.779 0.640 1.00 0.00 O ATOM 297 OE2 GLU A 138 0.726 -1.650 2.496 1.00 0.00 O ATOM 0 H GLU A 138 -0.518 2.703 0.445 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.817 1.437 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.776 -0.610 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -0.587 0.408 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.114 1.252 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.999 0.113 2.516 1.00 0.00 H new ATOM 304 N LEU A 139 -2.739 1.748 2.754 1.00 0.00 N ATOM 305 CA LEU A 139 -3.577 1.678 3.948 1.00 0.00 C ATOM 306 C LEU A 139 -4.747 2.653 3.858 1.00 0.00 C ATOM 307 O LEU A 139 -5.859 2.338 4.279 1.00 0.00 O ATOM 308 CB LEU A 139 -2.753 1.969 5.204 1.00 0.00 C ATOM 309 CG LEU A 139 -1.693 0.920 5.545 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.938 1.319 6.803 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.333 -0.450 5.719 1.00 0.00 C ATOM 0 H LEU A 139 -1.797 2.103 2.917 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.976 0.666 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.260 2.933 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.432 2.064 6.051 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.984 0.865 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.188 0.563 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.448 2.280 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.636 1.401 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.563 -1.183 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.063 -0.410 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.831 -0.739 4.794 1.00 0.00 H new ATOM 323 N LYS A 140 -4.485 3.836 3.316 1.00 0.00 N ATOM 324 CA LYS A 140 -5.516 4.859 3.179 1.00 0.00 C ATOM 325 C LYS A 140 -6.669 4.368 2.306 1.00 0.00 C ATOM 326 O LYS A 140 -7.837 4.572 2.634 1.00 0.00 O ATOM 327 CB LYS A 140 -4.917 6.135 2.582 1.00 0.00 C ATOM 328 CG LYS A 140 -5.905 7.286 2.490 1.00 0.00 C ATOM 329 CD LYS A 140 -5.276 8.507 1.839 1.00 0.00 C ATOM 330 CE LYS A 140 -6.252 9.672 1.778 1.00 0.00 C ATOM 331 NZ LYS A 140 -7.478 9.332 1.007 1.00 0.00 N ATOM 0 H LYS A 140 -3.568 4.111 2.964 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.909 5.076 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.066 6.445 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.535 5.915 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.777 6.974 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.258 7.545 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.389 8.803 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.946 8.254 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -6.530 9.965 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.762 10.532 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -8.019 10.199 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -7.209 8.885 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.064 8.673 1.559 1.00 0.00 H new ATOM 345 N VAL A 141 -6.334 3.727 1.189 1.00 0.00 N ATOM 346 CA VAL A 141 -7.344 3.215 0.267 1.00 0.00 C ATOM 347 C VAL A 141 -8.160 2.089 0.897 1.00 0.00 C ATOM 348 O VAL A 141 -9.387 2.081 0.809 1.00 0.00 O ATOM 349 CB VAL A 141 -6.710 2.704 -1.040 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.782 2.209 -2.000 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.867 3.793 -1.686 1.00 0.00 C ATOM 0 H VAL A 141 -5.372 3.550 0.901 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.006 4.051 0.040 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.057 1.865 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.313 1.852 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.338 1.394 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.465 3.026 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.427 3.414 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.496 4.654 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.073 4.093 -1.002 1.00 0.00 H new ATOM 361 N LYS A 142 -7.475 1.136 1.525 1.00 0.00 N ATOM 362 CA LYS A 142 -8.147 0.006 2.159 1.00 0.00 C ATOM 363 C LYS A 142 -9.080 0.471 3.274 1.00 0.00 C ATOM 364 O LYS A 142 -10.226 0.032 3.354 1.00 0.00 O ATOM 365 CB LYS A 142 -7.126 -0.993 2.713 1.00 0.00 C ATOM 366 CG LYS A 142 -7.763 -2.147 3.475 1.00 0.00 C ATOM 367 CD LYS A 142 -6.724 -3.137 3.979 1.00 0.00 C ATOM 368 CE LYS A 142 -6.013 -3.840 2.833 1.00 0.00 C ATOM 369 NZ LYS A 142 -5.023 -4.839 3.324 1.00 0.00 N ATOM 0 H LYS A 142 -6.458 1.124 1.608 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.746 -0.490 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.536 -1.393 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.436 -0.468 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.330 -1.755 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.471 -2.663 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.992 -2.614 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -7.207 -3.878 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.748 -4.338 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.506 -3.101 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -4.477 -5.210 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -4.377 -4.384 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.523 -5.621 3.794 1.00 0.00 H new ATOM 383 N GLN A 143 -8.584 1.358 4.129 1.00 0.00 N ATOM 384 CA GLN A 143 -9.379 1.876 5.237 1.00 0.00 C ATOM 385 C GLN A 143 -10.590 2.639 4.718 1.00 0.00 C ATOM 386 O GLN A 143 -11.717 2.407 5.157 1.00 0.00 O ATOM 387 CB GLN A 143 -8.524 2.785 6.125 1.00 0.00 C ATOM 388 CG GLN A 143 -9.285 3.387 7.298 1.00 0.00 C ATOM 389 CD GLN A 143 -9.736 2.354 8.321 1.00 0.00 C ATOM 390 OE1 GLN A 143 -9.335 1.099 8.132 1.00 0.00 O flip ATOM 391 NE2 GLN A 143 -10.431 2.686 9.280 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.637 1.733 4.077 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.730 1.032 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.678 2.213 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.115 3.592 5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.652 4.124 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -10.158 3.919 6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.718 3.659 9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -10.720 1.989 9.966 1.00 0.00 H new ATOM 400 N GLY A 144 -10.351 3.541 3.773 1.00 0.00 N ATOM 401 CA GLY A 144 -11.433 4.316 3.200 1.00 0.00 C ATOM 402 C GLY A 144 -12.462 3.432 2.529 1.00 0.00 C ATOM 403 O GLY A 144 -13.659 3.720 2.557 1.00 0.00 O ATOM 0 H GLY A 144 -9.427 3.749 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.913 4.904 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.030 5.021 2.473 1.00 0.00 H new ATOM 407 N ALA A 145 -11.989 2.343 1.932 1.00 0.00 N ATOM 408 CA ALA A 145 -12.863 1.399 1.256 1.00 0.00 C ATOM 409 C ALA A 145 -13.745 0.680 2.264 1.00 0.00 C ATOM 410 O ALA A 145 -14.945 0.529 2.056 1.00 0.00 O ATOM 411 CB ALA A 145 -12.039 0.396 0.463 1.00 0.00 C ATOM 0 H ALA A 145 -11.000 2.094 1.904 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.503 1.948 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.705 -0.306 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.441 0.923 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.380 -0.149 1.139 1.00 0.00 H new ATOM 417 N GLU A 146 -13.134 0.248 3.361 1.00 0.00 N ATOM 418 CA GLU A 146 -13.857 -0.454 4.417 1.00 0.00 C ATOM 419 C GLU A 146 -14.962 0.423 4.994 1.00 0.00 C ATOM 420 O GLU A 146 -16.071 -0.047 5.245 1.00 0.00 O ATOM 421 CB GLU A 146 -12.896 -0.885 5.526 1.00 0.00 C ATOM 422 CG GLU A 146 -11.854 -1.893 5.071 1.00 0.00 C ATOM 423 CD GLU A 146 -10.909 -2.300 6.185 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.390 -2.831 7.208 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.688 -2.086 6.033 1.00 0.00 O ATOM 0 H GLU A 146 -12.138 0.371 3.543 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.314 -1.342 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.389 -0.004 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.471 -1.315 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.356 -2.780 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.278 -1.468 4.249 1.00 0.00 H new ATOM 432 N ASN A 147 -14.653 1.701 5.195 1.00 0.00 N ATOM 433 CA ASN A 147 -15.627 2.641 5.735 1.00 0.00 C ATOM 434 C ASN A 147 -16.851 2.713 4.831 1.00 0.00 C ATOM 435 O ASN A 147 -17.989 2.710 5.302 1.00 0.00 O ATOM 436 CB ASN A 147 -15.001 4.031 5.883 1.00 0.00 C ATOM 437 CG ASN A 147 -15.974 5.047 6.452 1.00 0.00 C ATOM 438 OD1 ASN A 147 -17.003 5.346 5.847 1.00 0.00 O ATOM 439 ND2 ASN A 147 -15.651 5.583 7.623 1.00 0.00 N ATOM 0 H ASN A 147 -13.739 2.107 4.993 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.937 2.290 6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.128 3.966 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.650 4.374 4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -16.266 6.272 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -14.788 5.306 8.090 1.00 0.00 H new ATOM 446 N MET A 148 -16.609 2.774 3.528 1.00 0.00 N ATOM 447 CA MET A 148 -17.694 2.838 2.560 1.00 0.00 C ATOM 448 C MET A 148 -18.478 1.529 2.545 1.00 0.00 C ATOM 449 O MET A 148 -19.706 1.534 2.548 1.00 0.00 O ATOM 450 CB MET A 148 -17.149 3.138 1.163 1.00 0.00 C ATOM 451 CG MET A 148 -16.330 4.417 1.091 1.00 0.00 C ATOM 452 SD MET A 148 -17.231 5.858 1.696 1.00 0.00 S ATOM 453 CE MET A 148 -18.641 5.869 0.593 1.00 0.00 C ATOM 0 H MET A 148 -15.675 2.780 3.119 1.00 0.00 H new ATOM 0 HA MET A 148 -18.366 3.644 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.531 2.302 0.836 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.983 3.211 0.465 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.418 4.293 1.675 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.026 4.591 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 148 -18.863 6.894 0.297 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.414 5.276 -0.293 1.00 0.00 H new ATOM 0 HE3 MET A 148 -19.505 5.443 1.103 1.00 0.00 H new ATOM 463 N ILE A 149 -17.757 0.411 2.531 1.00 0.00 N ATOM 464 CA ILE A 149 -18.385 -0.908 2.511 1.00 0.00 C ATOM 465 C ILE A 149 -19.400 -1.058 3.638 1.00 0.00 C ATOM 466 O ILE A 149 -20.556 -1.404 3.397 1.00 0.00 O ATOM 467 CB ILE A 149 -17.335 -2.032 2.631 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.370 -1.991 1.446 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.016 -3.392 2.719 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.226 -2.977 1.561 1.00 0.00 C ATOM 0 H ILE A 149 -16.737 0.392 2.533 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.897 -0.995 1.553 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.764 -1.874 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.924 -2.195 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.963 -0.984 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.260 -4.173 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.664 -3.418 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.612 -3.559 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.583 -2.891 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.648 -2.760 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.624 -3.990 1.622 1.00 0.00 H new ATOM 482 N GLN A 150 -18.966 -0.799 4.868 1.00 0.00 N ATOM 483 CA GLN A 150 -19.847 -0.914 6.027 1.00 0.00 C ATOM 484 C GLN A 150 -21.054 0.009 5.891 1.00 0.00 C ATOM 485 O GLN A 150 -22.160 -0.342 6.303 1.00 0.00 O ATOM 486 CB GLN A 150 -19.087 -0.604 7.320 1.00 0.00 C ATOM 487 CG GLN A 150 -18.533 0.810 7.385 1.00 0.00 C ATOM 488 CD GLN A 150 -17.775 1.110 8.670 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.701 0.138 9.578 1.00 0.00 O flip ATOM 490 NE2 GLN A 150 -17.258 2.213 8.848 1.00 0.00 N flip ATOM 0 H GLN A 150 -18.013 -0.509 5.088 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.205 -1.943 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -19.753 -0.762 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.264 -1.311 7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.869 0.970 6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -19.355 1.518 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -17.335 2.934 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -16.753 2.406 9.713 1.00 0.00 H new ATOM 499 N THR A 151 -20.836 1.190 5.316 1.00 0.00 N ATOM 500 CA THR A 151 -21.914 2.161 5.132 1.00 0.00 C ATOM 501 C THR A 151 -23.097 1.561 4.372 1.00 0.00 C ATOM 502 O THR A 151 -24.231 1.608 4.842 1.00 0.00 O ATOM 503 CB THR A 151 -21.424 3.409 4.372 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.461 4.117 5.161 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.589 4.331 4.029 1.00 0.00 C ATOM 0 H THR A 151 -19.927 1.497 4.971 1.00 0.00 H new ATOM 0 HA THR A 151 -22.239 2.446 6.132 1.00 0.00 H new ATOM 0 HB THR A 151 -20.959 3.081 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.619 3.615 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.217 5.204 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.303 3.797 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.082 4.652 4.947 1.00 0.00 H new ATOM 513 N TYR A 152 -22.830 1.015 3.193 1.00 0.00 N ATOM 514 CA TYR A 152 -23.880 0.426 2.368 1.00 0.00 C ATOM 515 C TYR A 152 -24.327 -0.931 2.909 1.00 0.00 C ATOM 516 O TYR A 152 -25.473 -1.338 2.715 1.00 0.00 O ATOM 517 CB TYR A 152 -23.413 0.290 0.915 1.00 0.00 C ATOM 518 CG TYR A 152 -22.979 1.601 0.291 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.754 2.172 0.608 1.00 0.00 C ATOM 520 CD2 TYR A 152 -23.794 2.267 -0.615 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.352 3.367 0.046 1.00 0.00 C ATOM 522 CE2 TYR A 152 -23.399 3.465 -1.182 1.00 0.00 C ATOM 523 CZ TYR A 152 -22.178 4.010 -0.846 1.00 0.00 C ATOM 524 OH TYR A 152 -21.784 5.202 -1.406 1.00 0.00 O ATOM 0 H TYR A 152 -21.896 0.967 2.785 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.737 1.098 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.582 -0.415 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -24.222 -0.135 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.102 1.671 1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -24.751 1.843 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.395 3.794 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -24.044 3.971 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.807 5.224 -1.476 1.00 0.00 H new ATOM 649 N LYS A 161 -24.687 0.617 -5.996 1.00 0.00 N ATOM 650 CA LYS A 161 -23.744 0.814 -7.093 1.00 0.00 C ATOM 651 C LYS A 161 -22.419 1.366 -6.568 1.00 0.00 C ATOM 652 O LYS A 161 -21.342 0.872 -6.914 1.00 0.00 O ATOM 653 CB LYS A 161 -24.337 1.763 -8.138 1.00 0.00 C ATOM 654 CG LYS A 161 -24.768 3.107 -7.568 1.00 0.00 C ATOM 655 CD LYS A 161 -25.347 4.016 -8.641 1.00 0.00 C ATOM 656 CE LYS A 161 -24.309 4.381 -9.691 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.870 5.278 -10.738 1.00 0.00 N ATOM 0 HA LYS A 161 -23.554 -0.151 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -23.600 1.931 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -25.197 1.283 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -25.511 2.949 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.912 3.595 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -26.191 3.520 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -25.732 4.925 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -23.462 4.870 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -23.929 3.472 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -24.131 5.503 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -25.662 4.802 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -25.209 6.157 -10.297 1.00 0.00 H new ATOM 671 N LEU A 162 -22.507 2.381 -5.714 1.00 0.00 N ATOM 672 CA LEU A 162 -21.320 2.984 -5.127 1.00 0.00 C ATOM 673 C LEU A 162 -20.556 1.946 -4.313 1.00 0.00 C ATOM 674 O LEU A 162 -19.325 1.936 -4.301 1.00 0.00 O ATOM 675 CB LEU A 162 -21.701 4.179 -4.249 1.00 0.00 C ATOM 676 CG LEU A 162 -22.371 5.342 -4.988 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.765 6.437 -4.009 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.445 5.896 -6.061 1.00 0.00 C ATOM 0 H LEU A 162 -23.387 2.801 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.677 3.343 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.373 3.833 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.801 4.551 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.274 4.969 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.240 7.256 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.463 6.035 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.875 6.807 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.937 6.721 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.525 6.254 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.208 5.110 -6.779 1.00 0.00 H new ATOM 690 N LEU A 163 -21.298 1.060 -3.650 1.00 0.00 N ATOM 691 CA LEU A 163 -20.691 0.000 -2.852 1.00 0.00 C ATOM 692 C LEU A 163 -19.769 -0.846 -3.720 1.00 0.00 C ATOM 693 O LEU A 163 -18.640 -1.143 -3.336 1.00 0.00 O ATOM 694 CB LEU A 163 -21.769 -0.892 -2.228 1.00 0.00 C ATOM 695 CG LEU A 163 -21.243 -2.146 -1.525 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.483 -1.777 -0.262 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.385 -3.099 -1.207 1.00 0.00 C ATOM 0 H LEU A 163 -22.318 1.056 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.112 0.463 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.337 -0.301 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.465 -1.197 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 163 -20.553 -2.652 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.118 -2.683 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.638 -1.138 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.146 -1.244 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -21.992 -3.984 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.102 -2.602 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -22.881 -3.394 -2.132 1.00 0.00 H new ATOM 709 N LEU A 164 -20.263 -1.223 -4.897 1.00 0.00 N ATOM 710 CA LEU A 164 -19.489 -2.030 -5.833 1.00 0.00 C ATOM 711 C LEU A 164 -18.162 -1.352 -6.148 1.00 0.00 C ATOM 712 O LEU A 164 -17.116 -2.000 -6.193 1.00 0.00 O ATOM 713 CB LEU A 164 -20.280 -2.257 -7.123 1.00 0.00 C ATOM 714 CG LEU A 164 -21.598 -3.015 -6.953 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.342 -3.089 -8.277 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.344 -4.412 -6.405 1.00 0.00 C ATOM 0 H LEU A 164 -21.198 -0.981 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.288 -2.996 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.492 -1.288 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.651 -2.806 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.218 -2.473 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.277 -3.631 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.556 -2.081 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.727 -3.608 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.293 -4.936 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.706 -4.963 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.851 -4.339 -5.436 1.00 0.00 H new ATOM 728 N THR A 165 -18.213 -0.039 -6.357 1.00 0.00 N ATOM 729 CA THR A 165 -17.011 0.730 -6.657 1.00 0.00 C ATOM 730 C THR A 165 -15.970 0.564 -5.551 1.00 0.00 C ATOM 731 O THR A 165 -14.782 0.397 -5.819 1.00 0.00 O ATOM 732 CB THR A 165 -17.327 2.228 -6.831 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.296 2.407 -7.872 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.068 3.013 -7.170 1.00 0.00 C ATOM 0 H THR A 165 -19.071 0.512 -6.324 1.00 0.00 H new ATOM 0 HA THR A 165 -16.611 0.344 -7.595 1.00 0.00 H new ATOM 0 HB THR A 165 -17.728 2.602 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 165 -18.493 3.361 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.317 4.068 -7.288 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.341 2.900 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.643 2.635 -8.100 1.00 0.00 H new ATOM 742 N ALA A 166 -16.427 0.608 -4.305 1.00 0.00 N ATOM 743 CA ALA A 166 -15.535 0.457 -3.162 1.00 0.00 C ATOM 744 C ALA A 166 -15.031 -0.975 -3.039 1.00 0.00 C ATOM 745 O ALA A 166 -13.885 -1.207 -2.651 1.00 0.00 O ATOM 746 CB ALA A 166 -16.236 0.888 -1.881 1.00 0.00 C ATOM 0 H ALA A 166 -17.408 0.747 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 166 -14.671 1.102 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -15.557 0.769 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -16.533 1.933 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.120 0.270 -1.725 1.00 0.00 H new ATOM 752 N GLN A 167 -15.892 -1.932 -3.369 1.00 0.00 N ATOM 753 CA GLN A 167 -15.531 -3.343 -3.293 1.00 0.00 C ATOM 754 C GLN A 167 -14.297 -3.638 -4.141 1.00 0.00 C ATOM 755 O GLN A 167 -13.351 -4.277 -3.676 1.00 0.00 O ATOM 756 CB GLN A 167 -16.702 -4.218 -3.751 1.00 0.00 C ATOM 757 CG GLN A 167 -17.943 -4.085 -2.881 1.00 0.00 C ATOM 758 CD GLN A 167 -17.728 -4.609 -1.474 1.00 0.00 C ATOM 759 OE1 GLN A 167 -16.863 -4.129 -0.744 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.520 -5.601 -1.086 1.00 0.00 N ATOM 0 H GLN A 167 -16.844 -1.756 -3.691 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.298 -3.576 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.959 -3.957 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -16.384 -5.261 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -18.238 -3.037 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.767 -4.627 -3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -19.225 -5.970 -1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -18.423 -5.994 -0.150 1.00 0.00 H new ATOM 769 N GLN A 168 -14.309 -3.170 -5.387 1.00 0.00 N ATOM 770 CA GLN A 168 -13.201 -3.386 -6.287 1.00 0.00 C ATOM 771 C GLN A 168 -11.946 -2.666 -5.799 1.00 0.00 C ATOM 772 O GLN A 168 -10.849 -3.220 -5.859 1.00 0.00 O ATOM 773 CB GLN A 168 -13.578 -2.926 -7.692 1.00 0.00 C ATOM 774 CG GLN A 168 -13.914 -1.450 -7.794 1.00 0.00 C ATOM 775 CD GLN A 168 -14.286 -1.033 -9.204 1.00 0.00 C ATOM 776 OE1 GLN A 168 -15.248 -1.541 -9.780 1.00 0.00 O ATOM 777 NE2 GLN A 168 -13.523 -0.103 -9.768 1.00 0.00 N ATOM 0 H GLN A 168 -15.081 -2.638 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.978 -4.453 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -12.752 -3.147 -8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.434 -3.507 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -14.741 -1.222 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -13.059 -0.862 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.735 0.291 -9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -13.725 0.217 -10.715 1.00 0.00 H new ATOM 786 N MET A 169 -12.105 -1.436 -5.307 1.00 0.00 N ATOM 787 CA MET A 169 -10.963 -0.676 -4.808 1.00 0.00 C ATOM 788 C MET A 169 -10.282 -1.422 -3.666 1.00 0.00 C ATOM 789 O MET A 169 -9.058 -1.419 -3.552 1.00 0.00 O ATOM 790 CB MET A 169 -11.383 0.716 -4.335 1.00 0.00 C ATOM 791 CG MET A 169 -11.979 1.586 -5.431 1.00 0.00 C ATOM 792 SD MET A 169 -12.113 3.319 -4.945 1.00 0.00 S ATOM 793 CE MET A 169 -12.975 3.176 -3.382 1.00 0.00 C ATOM 0 H MET A 169 -13.001 -0.952 -5.245 1.00 0.00 H new ATOM 0 HA MET A 169 -10.260 -0.561 -5.633 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.112 0.611 -3.531 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.515 1.223 -3.914 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.362 1.510 -6.326 1.00 0.00 H new ATOM 0 HG3 MET A 169 -12.967 1.208 -5.693 1.00 0.00 H new ATOM 0 HE1 MET A 169 -12.838 4.091 -2.806 1.00 0.00 H new ATOM 0 HE2 MET A 169 -14.038 3.019 -3.566 1.00 0.00 H new ATOM 0 HE3 MET A 169 -12.575 2.331 -2.822 1.00 0.00 H new ATOM 803 N LEU A 170 -11.088 -2.060 -2.823 1.00 0.00 N ATOM 804 CA LEU A 170 -10.569 -2.814 -1.687 1.00 0.00 C ATOM 805 C LEU A 170 -9.677 -3.955 -2.168 1.00 0.00 C ATOM 806 O LEU A 170 -8.591 -4.174 -1.631 1.00 0.00 O ATOM 807 CB LEU A 170 -11.735 -3.355 -0.843 1.00 0.00 C ATOM 808 CG LEU A 170 -11.364 -3.984 0.511 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.683 -5.332 0.327 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.475 -3.043 1.313 1.00 0.00 C ATOM 0 H LEU A 170 -12.105 -2.070 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.966 -2.151 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.433 -2.538 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.266 -4.102 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 170 -12.288 -4.149 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.434 -5.750 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.356 -6.011 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.771 -5.202 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.223 -3.505 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.561 -2.842 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -11.004 -2.107 1.492 1.00 0.00 H new ATOM 822 N GLN A 171 -10.144 -4.681 -3.180 1.00 0.00 N ATOM 823 CA GLN A 171 -9.389 -5.803 -3.732 1.00 0.00 C ATOM 824 C GLN A 171 -8.034 -5.343 -4.264 1.00 0.00 C ATOM 825 O GLN A 171 -6.996 -5.916 -3.927 1.00 0.00 O ATOM 826 CB GLN A 171 -10.189 -6.476 -4.851 1.00 0.00 C ATOM 827 CG GLN A 171 -9.499 -7.691 -5.451 1.00 0.00 C ATOM 828 CD GLN A 171 -9.273 -8.796 -4.436 1.00 0.00 C ATOM 829 OE1 GLN A 171 -10.220 -9.314 -3.845 1.00 0.00 O ATOM 830 NE2 GLN A 171 -8.013 -9.162 -4.232 1.00 0.00 N ATOM 0 H GLN A 171 -11.041 -4.513 -3.635 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.216 -6.522 -2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.161 -6.777 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.375 -5.748 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -10.101 -8.076 -6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -8.540 -7.388 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -7.260 -8.704 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -7.799 -9.901 -3.562 1.00 0.00 H new ATOM 839 N ASP A 172 -8.050 -4.305 -5.095 1.00 0.00 N ATOM 840 CA ASP A 172 -6.828 -3.764 -5.675 1.00 0.00 C ATOM 841 C ASP A 172 -5.896 -3.234 -4.591 1.00 0.00 C ATOM 842 O ASP A 172 -4.678 -3.404 -4.671 1.00 0.00 O ATOM 843 CB ASP A 172 -7.168 -2.652 -6.665 1.00 0.00 C ATOM 844 CG ASP A 172 -7.937 -3.162 -7.869 1.00 0.00 C ATOM 845 OD1 ASP A 172 -9.036 -3.722 -7.679 1.00 0.00 O ATOM 846 OD2 ASP A 172 -7.438 -3.002 -9.004 1.00 0.00 O ATOM 0 H ASP A 172 -8.901 -3.821 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.314 -4.568 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -7.757 -1.887 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -6.247 -2.175 -7.001 1.00 0.00 H new ATOM 851 N SER A 173 -6.474 -2.590 -3.583 1.00 0.00 N ATOM 852 CA SER A 173 -5.696 -2.033 -2.482 1.00 0.00 C ATOM 853 C SER A 173 -4.859 -3.114 -1.809 1.00 0.00 C ATOM 854 O SER A 173 -3.679 -2.911 -1.524 1.00 0.00 O ATOM 855 CB SER A 173 -6.621 -1.374 -1.458 1.00 0.00 C ATOM 856 OG SER A 173 -5.879 -0.806 -0.391 1.00 0.00 O ATOM 0 H SER A 173 -7.480 -2.441 -3.505 1.00 0.00 H new ATOM 0 HA SER A 173 -5.023 -1.279 -2.889 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.215 -0.600 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 173 -7.320 -2.113 -1.066 1.00 0.00 H new ATOM 0 HG SER A 173 -5.160 -0.248 -0.754 1.00 0.00 H new ATOM 862 N LYS A 174 -5.477 -4.265 -1.564 1.00 0.00 N ATOM 863 CA LYS A 174 -4.787 -5.383 -0.930 1.00 0.00 C ATOM 864 C LYS A 174 -3.611 -5.842 -1.784 1.00 0.00 C ATOM 865 O LYS A 174 -2.519 -6.085 -1.273 1.00 0.00 O ATOM 866 CB LYS A 174 -5.752 -6.547 -0.702 1.00 0.00 C ATOM 867 CG LYS A 174 -6.913 -6.206 0.221 1.00 0.00 C ATOM 868 CD LYS A 174 -7.824 -7.404 0.443 1.00 0.00 C ATOM 869 CE LYS A 174 -7.096 -8.538 1.151 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.982 -9.716 1.369 1.00 0.00 N ATOM 0 H LYS A 174 -6.454 -4.448 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.408 -5.045 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.148 -6.873 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.200 -7.388 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.527 -5.860 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.489 -5.385 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.688 -7.100 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.202 -7.757 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -6.231 -8.839 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.719 -8.184 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -7.449 -10.466 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -8.795 -9.436 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -8.321 -10.070 0.452 1.00 0.00 H new ATOM 884 N THR A 175 -3.844 -5.955 -3.089 1.00 0.00 N ATOM 885 CA THR A 175 -2.804 -6.381 -4.018 1.00 0.00 C ATOM 886 C THR A 175 -1.578 -5.477 -3.915 1.00 0.00 C ATOM 887 O THR A 175 -0.442 -5.952 -3.934 1.00 0.00 O ATOM 888 CB THR A 175 -3.316 -6.379 -5.471 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.449 -7.248 -5.593 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.226 -6.827 -6.434 1.00 0.00 C ATOM 0 H THR A 175 -4.744 -5.757 -3.526 1.00 0.00 H new ATOM 0 HA THR A 175 -2.525 -7.398 -3.744 1.00 0.00 H new ATOM 0 HB THR A 175 -3.607 -5.360 -5.725 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.212 -6.859 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.614 -6.817 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.376 -6.149 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 175 -1.907 -7.837 -6.178 1.00 0.00 H new ATOM 898 N LYS A 176 -1.818 -4.175 -3.803 1.00 0.00 N ATOM 899 CA LYS A 176 -0.738 -3.200 -3.694 1.00 0.00 C ATOM 900 C LYS A 176 0.095 -3.442 -2.436 1.00 0.00 C ATOM 901 O LYS A 176 1.323 -3.416 -2.481 1.00 0.00 O ATOM 902 CB LYS A 176 -1.306 -1.780 -3.671 1.00 0.00 C ATOM 903 CG LYS A 176 -2.119 -1.427 -4.908 1.00 0.00 C ATOM 904 CD LYS A 176 -2.722 -0.032 -4.802 1.00 0.00 C ATOM 905 CE LYS A 176 -1.649 1.045 -4.733 1.00 0.00 C ATOM 906 NZ LYS A 176 -0.775 1.040 -5.939 1.00 0.00 N ATOM 0 H LYS A 176 -2.754 -3.769 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.092 -3.316 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.935 -1.664 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.484 -1.071 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.482 -1.483 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.915 -2.159 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -3.366 0.152 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -3.352 0.025 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -2.122 2.022 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -1.039 0.893 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -0.208 1.911 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -0.142 0.215 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -1.364 0.990 -6.795 1.00 0.00 H new ATOM 920 N ILE A 177 -0.586 -3.666 -1.315 1.00 0.00 N ATOM 921 CA ILE A 177 0.085 -3.899 -0.038 1.00 0.00 C ATOM 922 C ILE A 177 1.036 -5.095 -0.102 1.00 0.00 C ATOM 923 O ILE A 177 2.140 -5.041 0.437 1.00 0.00 O ATOM 924 CB ILE A 177 -0.938 -4.114 1.098 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.802 -2.857 1.255 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.226 -4.458 2.401 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.737 -2.884 2.445 1.00 0.00 C ATOM 0 H ILE A 177 -1.604 -3.691 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 177 0.672 -3.005 0.173 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.586 -4.953 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.147 -1.990 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.392 -2.721 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.963 -4.606 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.353 -5.372 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.442 -3.642 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.309 -1.957 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.420 -3.729 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.156 -2.986 3.362 1.00 0.00 H new ATOM 939 N ASP A 178 0.606 -6.172 -0.754 1.00 0.00 N ATOM 940 CA ASP A 178 1.435 -7.371 -0.872 1.00 0.00 C ATOM 941 C ASP A 178 2.710 -7.092 -1.664 1.00 0.00 C ATOM 942 O ASP A 178 3.809 -7.444 -1.233 1.00 0.00 O ATOM 943 CB ASP A 178 0.646 -8.503 -1.535 1.00 0.00 C ATOM 944 CG ASP A 178 -0.492 -9.004 -0.669 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.367 -8.191 -0.309 1.00 0.00 O ATOM 946 OD2 ASP A 178 -0.510 -10.213 -0.352 1.00 0.00 O ATOM 0 H ASP A 178 -0.306 -6.241 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 178 1.721 -7.675 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.247 -8.154 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 178 1.321 -9.330 -1.757 1.00 0.00 H new ATOM 951 N ILE A 179 2.559 -6.464 -2.827 1.00 0.00 N ATOM 952 CA ILE A 179 3.700 -6.147 -3.680 1.00 0.00 C ATOM 953 C ILE A 179 4.671 -5.198 -2.979 1.00 0.00 C ATOM 954 O ILE A 179 5.876 -5.451 -2.930 1.00 0.00 O ATOM 955 CB ILE A 179 3.249 -5.513 -5.011 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.280 -6.447 -5.740 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.457 -5.202 -5.885 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.739 -5.875 -7.035 1.00 0.00 C ATOM 0 H ILE A 179 1.658 -6.165 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 179 4.207 -7.089 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 179 2.731 -4.578 -4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.787 -7.388 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.445 -6.678 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.123 -4.755 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.113 -4.505 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 179 5.000 -6.123 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.060 -6.593 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.202 -4.949 -6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.565 -5.671 -7.716 1.00 0.00 H new ATOM 970 N ILE A 180 4.137 -4.108 -2.438 1.00 0.00 N ATOM 971 CA ILE A 180 4.955 -3.123 -1.741 1.00 0.00 C ATOM 972 C ILE A 180 5.688 -3.761 -0.566 1.00 0.00 C ATOM 973 O ILE A 180 6.876 -3.518 -0.362 1.00 0.00 O ATOM 974 CB ILE A 180 4.107 -1.938 -1.236 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.490 -1.189 -2.423 1.00 0.00 C ATOM 976 CG2 ILE A 180 4.953 -0.998 -0.383 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.615 -0.021 -2.022 1.00 0.00 C ATOM 0 H ILE A 180 3.142 -3.885 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 180 5.684 -2.746 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 180 3.301 -2.324 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.291 -0.826 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.898 -1.888 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.337 -0.168 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.347 -1.541 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.780 -0.612 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.215 0.458 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.792 -0.379 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.207 0.700 -1.458 1.00 0.00 H new ATOM 989 N ARG A 181 4.975 -4.584 0.195 1.00 0.00 N ATOM 990 CA ARG A 181 5.562 -5.264 1.343 1.00 0.00 C ATOM 991 C ARG A 181 6.819 -6.019 0.924 1.00 0.00 C ATOM 992 O ARG A 181 7.828 -6.006 1.630 1.00 0.00 O ATOM 993 CB ARG A 181 4.546 -6.224 1.965 1.00 0.00 C ATOM 994 CG ARG A 181 5.077 -6.986 3.169 1.00 0.00 C ATOM 995 CD ARG A 181 4.002 -7.869 3.784 1.00 0.00 C ATOM 996 NE ARG A 181 3.476 -8.838 2.826 1.00 0.00 N ATOM 997 CZ ARG A 181 2.507 -9.704 3.109 1.00 0.00 C ATOM 998 NH1 ARG A 181 1.958 -9.719 4.317 1.00 0.00 N ATOM 999 NH2 ARG A 181 2.086 -10.556 2.184 1.00 0.00 N ATOM 0 H ARG A 181 3.990 -4.796 0.037 1.00 0.00 H new ATOM 0 HA ARG A 181 5.838 -4.518 2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.663 -5.659 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.225 -6.939 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 181 5.926 -7.600 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.442 -6.281 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 181 4.414 -8.397 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.188 -7.245 4.153 1.00 0.00 H new ATOM 0 HE ARG A 181 3.874 -8.851 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 181 2.279 -9.065 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 181 1.215 -10.384 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 181 2.505 -10.548 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 181 1.343 -11.220 2.402 1.00 0.00 H new ATOM 1013 N MET A 182 6.753 -6.660 -0.238 1.00 0.00 N ATOM 1014 CA MET A 182 7.889 -7.404 -0.766 1.00 0.00 C ATOM 1015 C MET A 182 9.062 -6.464 -1.028 1.00 0.00 C ATOM 1016 O MET A 182 10.219 -6.815 -0.800 1.00 0.00 O ATOM 1017 CB MET A 182 7.498 -8.131 -2.056 1.00 0.00 C ATOM 1018 CG MET A 182 8.620 -8.970 -2.648 1.00 0.00 C ATOM 1019 SD MET A 182 9.154 -10.293 -1.546 1.00 0.00 S ATOM 1020 CE MET A 182 7.635 -11.226 -1.373 1.00 0.00 C ATOM 0 H MET A 182 5.924 -6.679 -0.832 1.00 0.00 H new ATOM 0 HA MET A 182 8.191 -8.145 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.642 -8.775 -1.855 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.177 -7.396 -2.794 1.00 0.00 H new ATOM 0 HG2 MET A 182 8.287 -9.401 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 182 9.470 -8.326 -2.874 1.00 0.00 H new ATOM 0 HE1 MET A 182 7.865 -12.236 -1.033 1.00 0.00 H new ATOM 0 HE2 MET A 182 6.988 -10.736 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 182 7.126 -11.275 -2.336 1.00 0.00 H new ATOM 1030 N GLN A 183 8.748 -5.265 -1.514 1.00 0.00 N ATOM 1031 CA GLN A 183 9.770 -4.264 -1.811 1.00 0.00 C ATOM 1032 C GLN A 183 10.505 -3.830 -0.544 1.00 0.00 C ATOM 1033 O GLN A 183 11.729 -3.704 -0.540 1.00 0.00 O ATOM 1034 CB GLN A 183 9.133 -3.045 -2.485 1.00 0.00 C ATOM 1035 CG GLN A 183 8.412 -3.367 -3.785 1.00 0.00 C ATOM 1036 CD GLN A 183 9.348 -3.867 -4.869 1.00 0.00 C ATOM 1037 OE1 GLN A 183 10.002 -4.898 -4.717 1.00 0.00 O ATOM 1038 NE2 GLN A 183 9.417 -3.133 -5.974 1.00 0.00 N ATOM 0 H GLN A 183 7.794 -4.963 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 183 10.495 -4.715 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.426 -2.587 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.909 -2.306 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 183 7.649 -4.121 -3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.897 -2.474 -4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 183 8.857 -2.285 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 183 10.030 -3.418 -6.738 1.00 0.00 H new ATOM 1047 N LEU A 184 9.747 -3.594 0.525 1.00 0.00 N ATOM 1048 CA LEU A 184 10.321 -3.164 1.798 1.00 0.00 C ATOM 1049 C LEU A 184 11.340 -4.171 2.327 1.00 0.00 C ATOM 1050 O LEU A 184 12.486 -3.816 2.602 1.00 0.00 O ATOM 1051 CB LEU A 184 9.215 -2.945 2.836 1.00 0.00 C ATOM 1052 CG LEU A 184 8.493 -1.594 2.758 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.438 -0.465 3.135 1.00 0.00 C ATOM 1054 CD2 LEU A 184 7.921 -1.363 1.369 1.00 0.00 C ATOM 0 H LEU A 184 8.732 -3.694 0.535 1.00 0.00 H new ATOM 0 HA LEU A 184 10.841 -2.222 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.476 -3.739 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.649 -3.048 3.831 1.00 0.00 H new ATOM 0 HG LEU A 184 7.666 -1.610 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 184 8.910 0.487 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 184 9.798 -0.616 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.285 -0.455 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.414 -0.398 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.729 -1.371 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.209 -2.154 1.132 1.00 0.00 H new ATOM 1066 N ARG A 185 10.921 -5.425 2.471 1.00 0.00 N ATOM 1067 CA ARG A 185 11.813 -6.466 2.971 1.00 0.00 C ATOM 1068 C ARG A 185 13.036 -6.602 2.071 1.00 0.00 C ATOM 1069 O ARG A 185 14.150 -6.805 2.551 1.00 0.00 O ATOM 1070 CB ARG A 185 11.084 -7.809 3.076 1.00 0.00 C ATOM 1071 CG ARG A 185 10.599 -8.356 1.744 1.00 0.00 C ATOM 1072 CD ARG A 185 10.001 -9.745 1.899 1.00 0.00 C ATOM 1073 NE ARG A 185 10.963 -10.693 2.457 1.00 0.00 N ATOM 1074 CZ ARG A 185 10.688 -11.971 2.701 1.00 0.00 C ATOM 1075 NH1 ARG A 185 9.483 -12.458 2.435 1.00 0.00 N ATOM 1076 NH2 ARG A 185 11.621 -12.764 3.211 1.00 0.00 N ATOM 0 H ARG A 185 9.977 -5.743 2.251 1.00 0.00 H new ATOM 0 HA ARG A 185 12.142 -6.175 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.752 -8.538 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 185 10.229 -7.695 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.853 -7.682 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 185 11.430 -8.393 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 185 9.125 -9.693 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 185 9.659 -10.104 0.928 1.00 0.00 H new ATOM 0 HE ARG A 185 11.901 -10.354 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 185 8.763 -11.852 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 185 9.276 -13.439 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 185 12.549 -12.393 3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 185 11.410 -13.744 3.398 1.00 0.00 H new ATOM 1090 N ARG A 186 12.818 -6.481 0.765 1.00 0.00 N ATOM 1091 CA ARG A 186 13.900 -6.584 -0.207 1.00 0.00 C ATOM 1092 C ARG A 186 14.977 -5.543 0.087 1.00 0.00 C ATOM 1093 O ARG A 186 16.172 -5.828 -0.010 1.00 0.00 O ATOM 1094 CB ARG A 186 13.342 -6.403 -1.627 1.00 0.00 C ATOM 1095 CG ARG A 186 14.335 -6.708 -2.745 1.00 0.00 C ATOM 1096 CD ARG A 186 15.348 -5.587 -2.935 1.00 0.00 C ATOM 1097 NE ARG A 186 16.240 -5.837 -4.065 1.00 0.00 N ATOM 1098 CZ ARG A 186 15.831 -5.914 -5.330 1.00 0.00 C ATOM 1099 NH1 ARG A 186 14.549 -5.753 -5.631 1.00 0.00 N ATOM 1100 NH2 ARG A 186 16.708 -6.150 -6.296 1.00 0.00 N ATOM 0 H ARG A 186 11.899 -6.311 0.355 1.00 0.00 H new ATOM 0 HA ARG A 186 14.354 -7.572 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.472 -7.049 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.994 -5.376 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 186 14.860 -7.636 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 186 13.793 -6.867 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 186 14.821 -4.646 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 186 15.938 -5.475 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 186 17.234 -5.960 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 186 13.871 -5.569 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 186 14.242 -5.813 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 186 17.695 -6.272 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 186 16.396 -6.209 -7.265 1.00 0.00 H new ATOM 1114 N ALA A 187 14.545 -4.340 0.451 1.00 0.00 N ATOM 1115 CA ALA A 187 15.469 -3.256 0.763 1.00 0.00 C ATOM 1116 C ALA A 187 16.343 -3.605 1.962 1.00 0.00 C ATOM 1117 O ALA A 187 17.557 -3.405 1.936 1.00 0.00 O ATOM 1118 CB ALA A 187 14.701 -1.970 1.027 1.00 0.00 C ATOM 0 H ALA A 187 13.560 -4.091 0.537 1.00 0.00 H new ATOM 0 HA ALA A 187 16.121 -3.110 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.402 -1.168 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.124 -1.703 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 187 14.026 -2.116 1.870 1.00 0.00 H new