USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 147 ASN :FLIP amide:sc= -0.211 F(o=-0.88!,f=0.84) USER MOD Set 1.2: A 151 THR OG1 : rot 82:sc= 1.05 USER MOD Set 2.1: A 148 MET CE :methyl 154:sc= -2.39! (180deg=-3.72!) USER MOD Set 2.2: A 169 MET CE :methyl 153:sc= -0.227 (180deg=-0.852) USER MOD Single : A 133 LYS NZ :NH3+ 167:sc= -2.4! (180deg=-3.02!) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.361 F(o=-2.1!,f=-0.36) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= -0.0289 (180deg=-0.227) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 GLN :FLIP amide:sc= -0.984 F(o=-3!,f=-0.98) USER MOD Single : A 152 TYR OH : rot 30:sc= -0.799 USER MOD Single : A 161 LYS NZ :NH3+ -167:sc= -0.0349 (180deg=-0.227) USER MOD Single : A 165 THR OG1 : rot 73:sc= 0.241 USER MOD Single : A 167 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 168 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 171 GLN :FLIP amide:sc= -0.447 F(o=-1.5,f=-0.45) USER MOD Single : A 173 SER OG : rot 75:sc= 0.109 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 MET CE :methyl 163:sc= -0.0898 (180deg=-0.571) USER MOD Single : A 183 GLN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.972 5.863 -1.943 1.00 0.00 N ATOM 112 CA ARG A 127 14.175 4.649 -2.085 1.00 0.00 C ATOM 113 C ARG A 127 13.448 4.323 -0.783 1.00 0.00 C ATOM 114 O ARG A 127 12.292 3.901 -0.794 1.00 0.00 O ATOM 115 CB ARG A 127 15.068 3.476 -2.496 1.00 0.00 C ATOM 116 CG ARG A 127 14.310 2.177 -2.725 1.00 0.00 C ATOM 117 CD ARG A 127 15.244 1.063 -3.173 1.00 0.00 C ATOM 118 NE ARG A 127 14.524 -0.178 -3.447 1.00 0.00 N ATOM 119 CZ ARG A 127 15.113 -1.295 -3.867 1.00 0.00 C ATOM 120 NH1 ARG A 127 16.425 -1.327 -4.056 1.00 0.00 N ATOM 121 NH2 ARG A 127 14.388 -2.382 -4.096 1.00 0.00 N ATOM 0 HA ARG A 127 13.430 4.818 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.601 3.740 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.820 3.316 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.804 1.882 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.538 2.332 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.779 1.377 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.992 0.885 -2.401 1.00 0.00 H new ATOM 0 HE ARG A 127 13.513 -0.189 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.986 -0.494 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.873 -2.185 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.379 -2.362 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.840 -3.238 -4.418 1.00 0.00 H new ATOM 135 N VAL A 128 14.139 4.519 0.336 1.00 0.00 N ATOM 136 CA VAL A 128 13.572 4.246 1.652 1.00 0.00 C ATOM 137 C VAL A 128 12.311 5.069 1.902 1.00 0.00 C ATOM 138 O VAL A 128 11.273 4.529 2.286 1.00 0.00 O ATOM 139 CB VAL A 128 14.595 4.545 2.767 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.959 4.391 4.140 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.811 3.642 2.630 1.00 0.00 C ATOM 0 H VAL A 128 15.097 4.868 0.357 1.00 0.00 H new ATOM 0 HA VAL A 128 13.312 3.188 1.670 1.00 0.00 H new ATOM 0 HB VAL A 128 14.923 5.579 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.699 4.607 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 128 13.124 5.086 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.597 3.370 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.522 3.867 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.501 2.600 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.283 3.811 1.662 1.00 0.00 H new ATOM 151 N ALA A 129 12.410 6.376 1.688 1.00 0.00 N ATOM 152 CA ALA A 129 11.280 7.273 1.894 1.00 0.00 C ATOM 153 C ALA A 129 10.149 6.971 0.919 1.00 0.00 C ATOM 154 O ALA A 129 8.976 7.019 1.285 1.00 0.00 O ATOM 155 CB ALA A 129 11.728 8.718 1.759 1.00 0.00 C ATOM 0 H ALA A 129 13.262 6.838 1.372 1.00 0.00 H new ATOM 0 HA ALA A 129 10.900 7.113 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.876 9.379 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.494 8.932 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.136 8.881 0.761 1.00 0.00 H new ATOM 161 N GLY A 130 10.511 6.664 -0.322 1.00 0.00 N ATOM 162 CA GLY A 130 9.514 6.360 -1.332 1.00 0.00 C ATOM 163 C GLY A 130 8.643 5.179 -0.953 1.00 0.00 C ATOM 164 O GLY A 130 7.424 5.222 -1.108 1.00 0.00 O ATOM 0 H GLY A 130 11.477 6.620 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.884 7.235 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.013 6.150 -2.278 1.00 0.00 H new ATOM 168 N LEU A 131 9.269 4.121 -0.457 1.00 0.00 N ATOM 169 CA LEU A 131 8.545 2.923 -0.056 1.00 0.00 C ATOM 170 C LEU A 131 7.626 3.206 1.131 1.00 0.00 C ATOM 171 O LEU A 131 6.473 2.770 1.156 1.00 0.00 O ATOM 172 CB LEU A 131 9.529 1.809 0.302 1.00 0.00 C ATOM 173 CG LEU A 131 10.478 1.389 -0.824 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.470 0.350 -0.325 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.694 0.849 -2.010 1.00 0.00 C ATOM 0 H LEU A 131 10.279 4.068 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 131 7.929 2.604 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.125 2.133 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.962 0.935 0.622 1.00 0.00 H new ATOM 0 HG LEU A 131 11.034 2.268 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.136 0.063 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.056 0.769 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.930 -0.528 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.385 0.556 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.112 -0.018 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.022 1.621 -2.384 1.00 0.00 H new ATOM 187 N GLU A 132 8.148 3.932 2.116 1.00 0.00 N ATOM 188 CA GLU A 132 7.381 4.264 3.311 1.00 0.00 C ATOM 189 C GLU A 132 6.161 5.120 2.980 1.00 0.00 C ATOM 190 O GLU A 132 5.062 4.857 3.469 1.00 0.00 O ATOM 191 CB GLU A 132 8.264 4.990 4.329 1.00 0.00 C ATOM 192 CG GLU A 132 9.425 4.149 4.837 1.00 0.00 C ATOM 193 CD GLU A 132 10.234 4.861 5.905 1.00 0.00 C ATOM 194 OE1 GLU A 132 9.658 5.196 6.961 1.00 0.00 O ATOM 195 OE2 GLU A 132 11.442 5.082 5.684 1.00 0.00 O ATOM 0 H GLU A 132 9.099 4.301 2.109 1.00 0.00 H new ATOM 0 HA GLU A 132 7.028 3.327 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.657 5.899 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.651 5.297 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.041 3.212 5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.077 3.893 4.002 1.00 0.00 H new ATOM 202 N LYS A 133 6.355 6.152 2.160 1.00 0.00 N ATOM 203 CA LYS A 133 5.254 7.039 1.790 1.00 0.00 C ATOM 204 C LYS A 133 4.134 6.257 1.110 1.00 0.00 C ATOM 205 O LYS A 133 2.953 6.525 1.337 1.00 0.00 O ATOM 206 CB LYS A 133 5.739 8.175 0.880 1.00 0.00 C ATOM 207 CG LYS A 133 6.024 7.755 -0.552 1.00 0.00 C ATOM 208 CD LYS A 133 6.435 8.946 -1.405 1.00 0.00 C ATOM 209 CE LYS A 133 6.471 8.593 -2.884 1.00 0.00 C ATOM 210 NZ LYS A 133 7.418 7.482 -3.171 1.00 0.00 N ATOM 0 H LYS A 133 7.254 6.393 1.743 1.00 0.00 H new ATOM 0 HA LYS A 133 4.863 7.481 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.986 8.963 0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.645 8.604 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.816 7.006 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.137 7.287 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.737 9.767 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.418 9.297 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 133 5.471 8.311 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.760 9.473 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.255 7.127 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 8.395 7.829 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.267 6.712 -2.488 1.00 0.00 H new ATOM 224 N GLN A 134 4.509 5.285 0.281 1.00 0.00 N ATOM 225 CA GLN A 134 3.531 4.461 -0.422 1.00 0.00 C ATOM 226 C GLN A 134 2.634 3.723 0.567 1.00 0.00 C ATOM 227 O GLN A 134 1.416 3.697 0.412 1.00 0.00 O ATOM 228 CB GLN A 134 4.234 3.452 -1.333 1.00 0.00 C ATOM 229 CG GLN A 134 5.016 4.089 -2.473 1.00 0.00 C ATOM 230 CD GLN A 134 4.129 4.756 -3.514 1.00 0.00 C ATOM 231 OE1 GLN A 134 2.814 4.634 -3.358 1.00 0.00 O flip ATOM 232 NE2 GLN A 134 4.625 5.372 -4.458 1.00 0.00 N flip ATOM 0 H GLN A 134 5.481 5.050 0.081 1.00 0.00 H new ATOM 0 HA GLN A 134 2.913 5.121 -1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.914 2.848 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.489 2.774 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.703 4.829 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.623 3.325 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.639 5.444 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 134 4.022 5.810 -5.154 1.00 0.00 H new ATOM 241 N LEU A 135 3.248 3.120 1.580 1.00 0.00 N ATOM 242 CA LEU A 135 2.504 2.374 2.590 1.00 0.00 C ATOM 243 C LEU A 135 1.451 3.245 3.268 1.00 0.00 C ATOM 244 O LEU A 135 0.313 2.818 3.465 1.00 0.00 O ATOM 245 CB LEU A 135 3.460 1.801 3.640 1.00 0.00 C ATOM 246 CG LEU A 135 2.789 1.007 4.765 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.045 -0.195 4.201 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.821 0.561 5.790 1.00 0.00 C ATOM 0 H LEU A 135 4.258 3.133 1.724 1.00 0.00 H new ATOM 0 HA LEU A 135 1.991 1.556 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.180 1.154 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 135 4.024 2.622 4.082 1.00 0.00 H new ATOM 0 HG LEU A 135 2.067 1.656 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.575 -0.747 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.279 0.145 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.747 -0.846 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.327 -0.002 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.565 -0.071 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.311 1.436 6.218 1.00 0.00 H new ATOM 260 N ALA A 136 1.838 4.461 3.631 1.00 0.00 N ATOM 261 CA ALA A 136 0.929 5.389 4.299 1.00 0.00 C ATOM 262 C ALA A 136 -0.295 5.699 3.441 1.00 0.00 C ATOM 263 O ALA A 136 -1.432 5.598 3.905 1.00 0.00 O ATOM 264 CB ALA A 136 1.659 6.673 4.658 1.00 0.00 C ATOM 0 H ALA A 136 2.776 4.830 3.475 1.00 0.00 H new ATOM 0 HA ALA A 136 0.578 4.908 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.970 7.356 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.489 6.445 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.041 7.140 3.750 1.00 0.00 H new ATOM 270 N ILE A 137 -0.057 6.082 2.191 1.00 0.00 N ATOM 271 CA ILE A 137 -1.141 6.414 1.272 1.00 0.00 C ATOM 272 C ILE A 137 -2.060 5.216 1.047 1.00 0.00 C ATOM 273 O ILE A 137 -3.284 5.345 1.087 1.00 0.00 O ATOM 274 CB ILE A 137 -0.595 6.893 -0.088 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.302 8.118 0.104 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.742 7.210 -1.040 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.942 8.612 -1.177 1.00 0.00 C ATOM 0 H ILE A 137 0.877 6.170 1.791 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.711 7.221 1.732 1.00 0.00 H new ATOM 0 HB ILE A 137 0.002 6.093 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.288 8.925 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.086 7.874 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.339 7.547 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.344 6.315 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.364 7.996 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.563 9.482 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.560 7.822 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.164 8.888 -1.889 1.00 0.00 H new ATOM 289 N GLU A 138 -1.460 4.058 0.805 1.00 0.00 N ATOM 290 CA GLU A 138 -2.213 2.833 0.567 1.00 0.00 C ATOM 291 C GLU A 138 -3.145 2.502 1.728 1.00 0.00 C ATOM 292 O GLU A 138 -4.310 2.169 1.517 1.00 0.00 O ATOM 293 CB GLU A 138 -1.251 1.674 0.318 1.00 0.00 C ATOM 294 CG GLU A 138 -0.809 1.534 -1.131 1.00 0.00 C ATOM 295 CD GLU A 138 -0.226 2.810 -1.713 1.00 0.00 C ATOM 296 OE1 GLU A 138 -0.968 3.809 -1.829 1.00 0.00 O ATOM 297 OE2 GLU A 138 0.974 2.810 -2.057 1.00 0.00 O ATOM 0 H GLU A 138 -0.447 3.941 0.768 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.834 2.990 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.369 1.807 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -1.728 0.746 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.066 0.740 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -1.663 1.226 -1.735 1.00 0.00 H new ATOM 304 N LEU A 139 -2.631 2.588 2.951 1.00 0.00 N ATOM 305 CA LEU A 139 -3.432 2.289 4.134 1.00 0.00 C ATOM 306 C LEU A 139 -4.666 3.184 4.201 1.00 0.00 C ATOM 307 O LEU A 139 -5.762 2.720 4.518 1.00 0.00 O ATOM 308 CB LEU A 139 -2.596 2.451 5.406 1.00 0.00 C ATOM 309 CG LEU A 139 -1.431 1.468 5.550 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.643 1.758 6.818 1.00 0.00 C ATOM 311 CD2 LEU A 139 -1.938 0.032 5.558 1.00 0.00 C ATOM 0 H LEU A 139 -1.668 2.861 3.149 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.762 1.253 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.200 3.466 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.252 2.341 6.269 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.769 1.595 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.181 1.050 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.247 2.773 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.298 1.660 7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.095 -0.651 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.622 -0.108 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.460 -0.175 4.624 1.00 0.00 H new ATOM 323 N LYS A 140 -4.483 4.466 3.903 1.00 0.00 N ATOM 324 CA LYS A 140 -5.585 5.423 3.931 1.00 0.00 C ATOM 325 C LYS A 140 -6.654 5.038 2.909 1.00 0.00 C ATOM 326 O LYS A 140 -7.847 5.043 3.214 1.00 0.00 O ATOM 327 CB LYS A 140 -5.058 6.840 3.658 1.00 0.00 C ATOM 328 CG LYS A 140 -6.081 7.950 3.877 1.00 0.00 C ATOM 329 CD LYS A 140 -7.092 8.033 2.743 1.00 0.00 C ATOM 330 CE LYS A 140 -8.083 9.165 2.962 1.00 0.00 C ATOM 331 NZ LYS A 140 -8.851 8.995 4.226 1.00 0.00 N ATOM 0 H LYS A 140 -3.583 4.867 3.639 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.041 5.406 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.198 7.024 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.702 6.889 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.605 7.778 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -5.564 8.905 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.569 8.183 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.629 7.088 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.549 10.115 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -8.774 9.210 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -9.657 9.652 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.200 8.018 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.233 9.196 5.038 1.00 0.00 H new ATOM 345 N VAL A 141 -6.216 4.704 1.697 1.00 0.00 N ATOM 346 CA VAL A 141 -7.132 4.316 0.630 1.00 0.00 C ATOM 347 C VAL A 141 -7.901 3.050 0.996 1.00 0.00 C ATOM 348 O VAL A 141 -9.112 2.964 0.789 1.00 0.00 O ATOM 349 CB VAL A 141 -6.382 4.078 -0.696 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.357 3.745 -1.817 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.540 5.292 -1.057 1.00 0.00 C ATOM 0 H VAL A 141 -5.231 4.695 1.430 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.833 5.141 0.502 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.716 3.225 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -6.805 3.581 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -7.912 2.842 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.053 4.573 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.018 5.106 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.186 6.163 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -4.812 5.478 -0.267 1.00 0.00 H new ATOM 361 N LYS A 142 -7.186 2.069 1.536 1.00 0.00 N ATOM 362 CA LYS A 142 -7.793 0.803 1.930 1.00 0.00 C ATOM 363 C LYS A 142 -8.879 1.022 2.978 1.00 0.00 C ATOM 364 O LYS A 142 -9.969 0.457 2.886 1.00 0.00 O ATOM 365 CB LYS A 142 -6.723 -0.146 2.475 1.00 0.00 C ATOM 366 CG LYS A 142 -7.260 -1.514 2.863 1.00 0.00 C ATOM 367 CD LYS A 142 -6.157 -2.416 3.392 1.00 0.00 C ATOM 368 CE LYS A 142 -6.688 -3.793 3.756 1.00 0.00 C ATOM 369 NZ LYS A 142 -5.608 -4.692 4.250 1.00 0.00 N ATOM 0 H LYS A 142 -6.183 2.127 1.711 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.253 0.356 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.944 -0.271 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.254 0.311 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.034 -1.400 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.729 -1.981 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.374 -2.514 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.700 -1.958 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.457 -3.695 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -7.163 -4.241 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -6.011 -5.621 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -4.886 -4.807 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.172 -4.277 5.098 1.00 0.00 H new ATOM 383 N GLN A 143 -8.574 1.849 3.974 1.00 0.00 N ATOM 384 CA GLN A 143 -9.522 2.147 5.040 1.00 0.00 C ATOM 385 C GLN A 143 -10.769 2.823 4.479 1.00 0.00 C ATOM 386 O GLN A 143 -11.886 2.540 4.911 1.00 0.00 O ATOM 387 CB GLN A 143 -8.870 3.041 6.095 1.00 0.00 C ATOM 388 CG GLN A 143 -9.776 3.348 7.277 1.00 0.00 C ATOM 389 CD GLN A 143 -9.085 4.184 8.337 1.00 0.00 C ATOM 390 OE1 GLN A 143 -8.065 3.782 8.895 1.00 0.00 O ATOM 391 NE2 GLN A 143 -9.643 5.355 8.621 1.00 0.00 N ATOM 0 H GLN A 143 -7.676 2.325 4.064 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.818 1.208 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.963 2.558 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.566 3.978 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.662 3.875 6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -10.117 2.413 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.489 5.648 8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -9.225 5.961 9.327 1.00 0.00 H new ATOM 400 N GLY A 144 -10.568 3.716 3.514 1.00 0.00 N ATOM 401 CA GLY A 144 -11.682 4.418 2.904 1.00 0.00 C ATOM 402 C GLY A 144 -12.678 3.476 2.259 1.00 0.00 C ATOM 403 O GLY A 144 -13.891 3.669 2.372 1.00 0.00 O ATOM 0 H GLY A 144 -9.651 3.966 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.190 5.015 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.303 5.111 2.153 1.00 0.00 H new ATOM 407 N ALA A 145 -12.167 2.450 1.586 1.00 0.00 N ATOM 408 CA ALA A 145 -13.019 1.472 0.925 1.00 0.00 C ATOM 409 C ALA A 145 -13.794 0.663 1.953 1.00 0.00 C ATOM 410 O ALA A 145 -14.987 0.408 1.790 1.00 0.00 O ATOM 411 CB ALA A 145 -12.187 0.553 0.044 1.00 0.00 C ATOM 0 H ALA A 145 -11.167 2.276 1.485 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.732 2.004 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.839 -0.172 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.671 1.144 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.454 0.028 0.656 1.00 0.00 H new ATOM 417 N GLU A 146 -13.103 0.269 3.015 1.00 0.00 N ATOM 418 CA GLU A 146 -13.720 -0.506 4.085 1.00 0.00 C ATOM 419 C GLU A 146 -14.838 0.287 4.747 1.00 0.00 C ATOM 420 O GLU A 146 -15.891 -0.261 5.069 1.00 0.00 O ATOM 421 CB GLU A 146 -12.676 -0.907 5.129 1.00 0.00 C ATOM 422 CG GLU A 146 -11.573 -1.796 4.580 1.00 0.00 C ATOM 423 CD GLU A 146 -10.555 -2.180 5.635 1.00 0.00 C ATOM 424 OE1 GLU A 146 -10.949 -2.811 6.638 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.363 -1.849 5.459 1.00 0.00 O ATOM 0 H GLU A 146 -12.114 0.473 3.159 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.144 -1.409 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.229 -0.005 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.175 -1.426 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.015 -2.700 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.068 -1.280 3.764 1.00 0.00 H new ATOM 432 N ASN A 147 -14.602 1.580 4.943 1.00 0.00 N ATOM 433 CA ASN A 147 -15.589 2.454 5.563 1.00 0.00 C ATOM 434 C ASN A 147 -16.885 2.453 4.759 1.00 0.00 C ATOM 435 O ASN A 147 -17.977 2.360 5.321 1.00 0.00 O ATOM 436 CB ASN A 147 -15.039 3.880 5.670 1.00 0.00 C ATOM 437 CG ASN A 147 -15.957 4.822 6.432 1.00 0.00 C ATOM 438 OD1 ASN A 147 -17.026 4.285 7.014 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -15.700 6.024 6.507 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.733 2.046 4.680 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.801 2.079 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.068 3.851 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.875 4.275 4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -14.870 6.398 6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -16.317 6.646 7.030 1.00 0.00 H new ATOM 446 N MET A 148 -16.758 2.556 3.440 1.00 0.00 N ATOM 447 CA MET A 148 -17.921 2.564 2.563 1.00 0.00 C ATOM 448 C MET A 148 -18.641 1.217 2.590 1.00 0.00 C ATOM 449 O MET A 148 -19.868 1.160 2.603 1.00 0.00 O ATOM 450 CB MET A 148 -17.509 2.909 1.130 1.00 0.00 C ATOM 451 CG MET A 148 -16.881 4.288 0.995 1.00 0.00 C ATOM 452 SD MET A 148 -16.535 4.733 -0.719 1.00 0.00 S ATOM 453 CE MET A 148 -15.397 3.433 -1.187 1.00 0.00 C ATOM 0 H MET A 148 -15.863 2.635 2.957 1.00 0.00 H new ATOM 0 HA MET A 148 -18.608 3.327 2.928 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.802 2.160 0.773 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.386 2.853 0.485 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.549 5.031 1.431 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.954 4.318 1.568 1.00 0.00 H new ATOM 0 HE1 MET A 148 -15.446 3.277 -2.265 1.00 0.00 H new ATOM 0 HE2 MET A 148 -14.383 3.719 -0.907 1.00 0.00 H new ATOM 0 HE3 MET A 148 -15.668 2.510 -0.674 1.00 0.00 H new ATOM 463 N ILE A 149 -17.869 0.134 2.593 1.00 0.00 N ATOM 464 CA ILE A 149 -18.437 -1.211 2.610 1.00 0.00 C ATOM 465 C ILE A 149 -19.244 -1.470 3.881 1.00 0.00 C ATOM 466 O ILE A 149 -20.379 -1.944 3.818 1.00 0.00 O ATOM 467 CB ILE A 149 -17.338 -2.286 2.484 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.589 -2.124 1.157 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.940 -3.680 2.596 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.426 -3.080 0.992 1.00 0.00 C ATOM 0 H ILE A 149 -16.849 0.161 2.584 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.104 -1.275 1.750 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.627 -2.156 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.289 -2.272 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.220 -1.101 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.150 -4.426 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.431 -3.788 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.670 -3.826 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.945 -2.905 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.705 -2.917 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.790 -4.107 1.035 1.00 0.00 H new ATOM 482 N GLN A 150 -18.653 -1.166 5.033 1.00 0.00 N ATOM 483 CA GLN A 150 -19.322 -1.379 6.313 1.00 0.00 C ATOM 484 C GLN A 150 -20.566 -0.505 6.451 1.00 0.00 C ATOM 485 O GLN A 150 -21.596 -0.951 6.956 1.00 0.00 O ATOM 486 CB GLN A 150 -18.364 -1.112 7.468 1.00 0.00 C ATOM 487 CG GLN A 150 -17.733 0.263 7.434 1.00 0.00 C ATOM 488 CD GLN A 150 -16.661 0.409 8.485 1.00 0.00 C ATOM 489 OE1 GLN A 150 -15.415 0.413 8.043 1.00 0.00 O flip ATOM 490 NE2 GLN A 150 -16.946 0.491 9.679 1.00 0.00 N flip ATOM 0 H GLN A 150 -17.715 -0.772 5.107 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.639 -2.421 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.902 -1.231 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -17.575 -1.864 7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.304 0.442 6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -18.501 1.020 7.590 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -17.923 0.484 9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -16.205 0.566 10.376 1.00 0.00 H new ATOM 499 N THR A 151 -20.464 0.741 6.005 1.00 0.00 N ATOM 500 CA THR A 151 -21.581 1.676 6.083 1.00 0.00 C ATOM 501 C THR A 151 -22.742 1.235 5.195 1.00 0.00 C ATOM 502 O THR A 151 -23.904 1.311 5.593 1.00 0.00 O ATOM 503 CB THR A 151 -21.149 3.098 5.675 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.136 3.579 6.568 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.334 4.053 5.686 1.00 0.00 C ATOM 0 H THR A 151 -19.619 1.128 5.585 1.00 0.00 H new ATOM 0 HA THR A 151 -21.911 1.684 7.122 1.00 0.00 H new ATOM 0 HB THR A 151 -20.750 3.052 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.264 3.227 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.001 5.049 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.090 3.703 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.761 4.092 6.688 1.00 0.00 H new ATOM 513 N TYR A 152 -22.417 0.789 3.986 1.00 0.00 N ATOM 514 CA TYR A 152 -23.428 0.350 3.027 1.00 0.00 C ATOM 515 C TYR A 152 -24.009 -1.017 3.389 1.00 0.00 C ATOM 516 O TYR A 152 -24.558 -1.709 2.530 1.00 0.00 O ATOM 517 CB TYR A 152 -22.828 0.307 1.617 1.00 0.00 C ATOM 518 CG TYR A 152 -22.512 1.672 1.031 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.247 2.768 1.848 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.481 1.863 -0.345 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.962 4.008 1.311 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.196 3.102 -0.889 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.937 4.169 -0.056 1.00 0.00 C ATOM 524 OH TYR A 152 -21.653 5.405 -0.592 1.00 0.00 O ATOM 0 H TYR A 152 -21.458 0.721 3.645 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.244 1.072 3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.913 -0.285 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.524 -0.208 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -22.265 2.646 2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.683 1.029 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.760 4.847 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.176 3.233 -1.961 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.059 5.896 0.014 1.00 0.00 H new ATOM 649 N LYS A 161 -24.535 -0.074 -7.248 1.00 0.00 N ATOM 650 CA LYS A 161 -23.490 0.219 -8.224 1.00 0.00 C ATOM 651 C LYS A 161 -22.202 0.651 -7.529 1.00 0.00 C ATOM 652 O LYS A 161 -21.124 0.131 -7.819 1.00 0.00 O ATOM 653 CB LYS A 161 -23.954 1.314 -9.189 1.00 0.00 C ATOM 654 CG LYS A 161 -22.970 1.594 -10.316 1.00 0.00 C ATOM 655 CD LYS A 161 -22.783 0.378 -11.209 1.00 0.00 C ATOM 656 CE LYS A 161 -21.799 0.656 -12.334 1.00 0.00 C ATOM 657 NZ LYS A 161 -22.259 1.764 -13.215 1.00 0.00 N ATOM 0 HA LYS A 161 -23.290 -0.692 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -24.913 1.024 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.121 2.233 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -23.328 2.433 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -22.009 1.889 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -22.426 -0.461 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -23.744 0.084 -11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -20.827 0.909 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -21.663 -0.247 -12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -21.686 1.778 -14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -23.259 1.618 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -22.154 2.670 -12.716 1.00 0.00 H new ATOM 671 N LEU A 162 -22.323 1.602 -6.609 1.00 0.00 N ATOM 672 CA LEU A 162 -21.176 2.099 -5.871 1.00 0.00 C ATOM 673 C LEU A 162 -20.625 1.027 -4.937 1.00 0.00 C ATOM 674 O LEU A 162 -19.419 0.953 -4.708 1.00 0.00 O ATOM 675 CB LEU A 162 -21.558 3.352 -5.084 1.00 0.00 C ATOM 676 CG LEU A 162 -20.447 3.933 -4.217 1.00 0.00 C ATOM 677 CD1 LEU A 162 -19.237 4.298 -5.064 1.00 0.00 C ATOM 678 CD2 LEU A 162 -20.948 5.146 -3.452 1.00 0.00 C ATOM 0 H LEU A 162 -23.208 2.043 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.394 2.359 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -21.888 4.117 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -22.410 3.116 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 162 -20.142 3.173 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -18.457 4.711 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -18.861 3.406 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -19.525 5.039 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -20.142 5.548 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -21.282 5.908 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.780 4.854 -2.812 1.00 0.00 H new ATOM 690 N LEU A 163 -21.516 0.192 -4.406 1.00 0.00 N ATOM 691 CA LEU A 163 -21.114 -0.882 -3.502 1.00 0.00 C ATOM 692 C LEU A 163 -20.076 -1.777 -4.168 1.00 0.00 C ATOM 693 O LEU A 163 -19.046 -2.100 -3.575 1.00 0.00 O ATOM 694 CB LEU A 163 -22.330 -1.716 -3.087 1.00 0.00 C ATOM 695 CG LEU A 163 -22.026 -2.904 -2.172 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.441 -2.429 -0.851 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.284 -3.726 -1.933 1.00 0.00 C ATOM 0 H LEU A 163 -22.519 0.239 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.674 -0.433 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.043 -1.063 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.819 -2.088 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.287 -3.536 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.232 -3.289 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.516 -1.883 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.155 -1.774 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -23.050 -4.567 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -24.043 -3.101 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.661 -4.099 -2.885 1.00 0.00 H new ATOM 709 N LEU A 164 -20.354 -2.172 -5.407 1.00 0.00 N ATOM 710 CA LEU A 164 -19.444 -3.024 -6.160 1.00 0.00 C ATOM 711 C LEU A 164 -18.133 -2.295 -6.437 1.00 0.00 C ATOM 712 O LEU A 164 -17.053 -2.873 -6.316 1.00 0.00 O ATOM 713 CB LEU A 164 -20.088 -3.459 -7.478 1.00 0.00 C ATOM 714 CG LEU A 164 -21.409 -4.220 -7.338 1.00 0.00 C ATOM 715 CD1 LEU A 164 -21.969 -4.568 -8.708 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.219 -5.478 -6.504 1.00 0.00 C ATOM 0 H LEU A 164 -21.203 -1.915 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.232 -3.910 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.260 -2.573 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.381 -4.087 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.123 -3.576 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.908 -5.109 -8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.146 -3.652 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.255 -5.193 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.170 -6.004 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.488 -6.127 -6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.863 -5.206 -5.511 1.00 0.00 H new ATOM 728 N THR A 165 -18.239 -1.022 -6.808 1.00 0.00 N ATOM 729 CA THR A 165 -17.065 -0.209 -7.099 1.00 0.00 C ATOM 730 C THR A 165 -16.144 -0.127 -5.886 1.00 0.00 C ATOM 731 O THR A 165 -14.922 -0.211 -6.015 1.00 0.00 O ATOM 732 CB THR A 165 -17.463 1.218 -7.529 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.316 1.162 -8.679 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.233 2.056 -7.849 1.00 0.00 C ATOM 0 H THR A 165 -19.127 -0.532 -6.914 1.00 0.00 H new ATOM 0 HA THR A 165 -16.537 -0.692 -7.921 1.00 0.00 H new ATOM 0 HB THR A 165 -17.995 1.685 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.201 0.836 -8.414 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.543 3.057 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.598 2.122 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.676 1.589 -8.662 1.00 0.00 H new ATOM 742 N ALA A 166 -16.739 0.035 -4.708 1.00 0.00 N ATOM 743 CA ALA A 166 -15.978 0.125 -3.469 1.00 0.00 C ATOM 744 C ALA A 166 -15.189 -1.155 -3.222 1.00 0.00 C ATOM 745 O ALA A 166 -14.013 -1.108 -2.858 1.00 0.00 O ATOM 746 CB ALA A 166 -16.905 0.417 -2.297 1.00 0.00 C ATOM 0 H ALA A 166 -17.749 0.107 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.268 0.947 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.321 0.481 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.419 1.363 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.639 -0.384 -2.205 1.00 0.00 H new ATOM 752 N GLN A 167 -15.839 -2.295 -3.434 1.00 0.00 N ATOM 753 CA GLN A 167 -15.193 -3.588 -3.247 1.00 0.00 C ATOM 754 C GLN A 167 -13.974 -3.694 -4.153 1.00 0.00 C ATOM 755 O GLN A 167 -12.919 -4.174 -3.740 1.00 0.00 O ATOM 756 CB GLN A 167 -16.172 -4.726 -3.543 1.00 0.00 C ATOM 757 CG GLN A 167 -17.389 -4.729 -2.631 1.00 0.00 C ATOM 758 CD GLN A 167 -18.338 -5.873 -2.931 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.851 -5.995 -4.043 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.582 -6.716 -1.934 1.00 0.00 N ATOM 0 H GLN A 167 -16.812 -2.349 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.873 -3.672 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.504 -4.650 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.651 -5.678 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.061 -4.796 -1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.920 -3.783 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.135 -6.577 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -19.217 -7.502 -2.075 1.00 0.00 H new ATOM 769 N GLN A 168 -14.129 -3.224 -5.386 1.00 0.00 N ATOM 770 CA GLN A 168 -13.041 -3.243 -6.354 1.00 0.00 C ATOM 771 C GLN A 168 -11.866 -2.423 -5.835 1.00 0.00 C ATOM 772 O GLN A 168 -10.707 -2.810 -5.985 1.00 0.00 O ATOM 773 CB GLN A 168 -13.518 -2.689 -7.700 1.00 0.00 C ATOM 774 CG GLN A 168 -12.436 -2.671 -8.768 1.00 0.00 C ATOM 775 CD GLN A 168 -12.912 -2.095 -10.092 1.00 0.00 C ATOM 776 OE1 GLN A 168 -14.181 -1.702 -10.158 1.00 0.00 O flip ATOM 777 NE2 GLN A 168 -12.143 -2.004 -11.049 1.00 0.00 N flip ATOM 0 H GLN A 168 -14.999 -2.825 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.716 -4.274 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.356 -3.289 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.891 -1.675 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -11.589 -2.087 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.077 -3.687 -8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.176 -2.317 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.472 -1.616 -11.933 1.00 0.00 H new ATOM 786 N MET A 169 -12.181 -1.287 -5.217 1.00 0.00 N ATOM 787 CA MET A 169 -11.161 -0.407 -4.660 1.00 0.00 C ATOM 788 C MET A 169 -10.371 -1.118 -3.568 1.00 0.00 C ATOM 789 O MET A 169 -9.141 -1.094 -3.560 1.00 0.00 O ATOM 790 CB MET A 169 -11.808 0.850 -4.082 1.00 0.00 C ATOM 791 CG MET A 169 -12.492 1.723 -5.120 1.00 0.00 C ATOM 792 SD MET A 169 -13.341 3.130 -4.377 1.00 0.00 S ATOM 793 CE MET A 169 -12.022 3.834 -3.390 1.00 0.00 C ATOM 0 H MET A 169 -13.137 -0.955 -5.090 1.00 0.00 H new ATOM 0 HA MET A 169 -10.479 -0.128 -5.464 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.540 0.557 -3.329 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.045 1.438 -3.573 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.751 2.084 -5.834 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.209 1.123 -5.681 1.00 0.00 H new ATOM 0 HE1 MET A 169 -12.194 4.903 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 169 -12.001 3.351 -2.413 1.00 0.00 H new ATOM 0 HE3 MET A 169 -11.068 3.678 -3.893 1.00 0.00 H new ATOM 803 N LEU A 170 -11.094 -1.749 -2.648 1.00 0.00 N ATOM 804 CA LEU A 170 -10.470 -2.469 -1.542 1.00 0.00 C ATOM 805 C LEU A 170 -9.529 -3.551 -2.062 1.00 0.00 C ATOM 806 O LEU A 170 -8.407 -3.691 -1.579 1.00 0.00 O ATOM 807 CB LEU A 170 -11.551 -3.079 -0.634 1.00 0.00 C ATOM 808 CG LEU A 170 -11.050 -3.853 0.596 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.550 -5.238 0.208 1.00 0.00 C ATOM 810 CD2 LEU A 170 -9.954 -3.077 1.313 1.00 0.00 C ATOM 0 H LEU A 170 -12.114 -1.777 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.879 -1.764 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.203 -2.276 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.163 -3.751 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 170 -11.892 -3.974 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.202 -5.762 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.362 -5.802 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.728 -5.143 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.615 -3.644 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.117 -2.918 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -10.345 -2.113 1.640 1.00 0.00 H new ATOM 822 N GLN A 171 -9.995 -4.315 -3.045 1.00 0.00 N ATOM 823 CA GLN A 171 -9.195 -5.389 -3.627 1.00 0.00 C ATOM 824 C GLN A 171 -7.915 -4.845 -4.253 1.00 0.00 C ATOM 825 O GLN A 171 -6.848 -5.444 -4.126 1.00 0.00 O ATOM 826 CB GLN A 171 -10.007 -6.146 -4.678 1.00 0.00 C ATOM 827 CG GLN A 171 -11.257 -6.806 -4.123 1.00 0.00 C ATOM 828 CD GLN A 171 -10.949 -7.807 -3.027 1.00 0.00 C ATOM 829 OE1 GLN A 171 -11.487 -7.565 -1.837 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -10.235 -8.785 -3.247 1.00 0.00 N flip ATOM 0 H GLN A 171 -10.923 -4.211 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 171 -8.920 -6.074 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.293 -5.455 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -9.375 -6.909 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -11.926 -6.039 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -11.787 -7.309 -4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -9.843 -8.931 -4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -10.036 -9.449 -2.499 1.00 0.00 H new ATOM 839 N ASP A 172 -8.029 -3.712 -4.933 1.00 0.00 N ATOM 840 CA ASP A 172 -6.881 -3.092 -5.586 1.00 0.00 C ATOM 841 C ASP A 172 -5.852 -2.622 -4.560 1.00 0.00 C ATOM 842 O ASP A 172 -4.651 -2.826 -4.736 1.00 0.00 O ATOM 843 CB ASP A 172 -7.338 -1.910 -6.446 1.00 0.00 C ATOM 844 CG ASP A 172 -6.203 -1.286 -7.239 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.070 -1.810 -7.174 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.450 -0.276 -7.929 1.00 0.00 O ATOM 0 H ASP A 172 -8.905 -3.202 -5.048 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.411 -3.840 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.114 -2.246 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.787 -1.152 -5.804 1.00 0.00 H new ATOM 851 N SER A 173 -6.327 -1.982 -3.496 1.00 0.00 N ATOM 852 CA SER A 173 -5.444 -1.470 -2.453 1.00 0.00 C ATOM 853 C SER A 173 -4.751 -2.598 -1.690 1.00 0.00 C ATOM 854 O SER A 173 -3.545 -2.551 -1.468 1.00 0.00 O ATOM 855 CB SER A 173 -6.227 -0.588 -1.481 1.00 0.00 C ATOM 856 OG SER A 173 -6.809 0.517 -2.150 1.00 0.00 O ATOM 0 H SER A 173 -7.318 -1.805 -3.333 1.00 0.00 H new ATOM 0 HA SER A 173 -4.673 -0.875 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.007 -1.177 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.563 -0.232 -0.693 1.00 0.00 H new ATOM 0 HG SER A 173 -7.583 0.214 -2.669 1.00 0.00 H new ATOM 862 N LYS A 174 -5.510 -3.607 -1.279 1.00 0.00 N ATOM 863 CA LYS A 174 -4.934 -4.724 -0.537 1.00 0.00 C ATOM 864 C LYS A 174 -3.866 -5.432 -1.365 1.00 0.00 C ATOM 865 O LYS A 174 -2.859 -5.898 -0.829 1.00 0.00 O ATOM 866 CB LYS A 174 -6.023 -5.702 -0.092 1.00 0.00 C ATOM 867 CG LYS A 174 -6.871 -6.257 -1.222 1.00 0.00 C ATOM 868 CD LYS A 174 -6.224 -7.464 -1.887 1.00 0.00 C ATOM 869 CE LYS A 174 -6.079 -8.628 -0.919 1.00 0.00 C ATOM 870 NZ LYS A 174 -5.447 -9.811 -1.566 1.00 0.00 N ATOM 0 H LYS A 174 -6.514 -3.676 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.456 -4.326 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -5.554 -6.533 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -6.676 -5.199 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.850 -6.539 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.035 -5.478 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -6.825 -7.774 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -5.243 -7.186 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -5.478 -8.317 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -7.061 -8.905 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -5.366 -10.583 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -6.033 -10.124 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -4.500 -9.554 -1.910 1.00 0.00 H new ATOM 884 N THR A 175 -4.090 -5.506 -2.673 1.00 0.00 N ATOM 885 CA THR A 175 -3.146 -6.155 -3.576 1.00 0.00 C ATOM 886 C THR A 175 -1.876 -5.323 -3.747 1.00 0.00 C ATOM 887 O THR A 175 -0.766 -5.855 -3.697 1.00 0.00 O ATOM 888 CB THR A 175 -3.773 -6.406 -4.960 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.943 -7.219 -4.828 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.780 -7.090 -5.890 1.00 0.00 C ATOM 0 H THR A 175 -4.917 -5.124 -3.132 1.00 0.00 H new ATOM 0 HA THR A 175 -2.888 -7.112 -3.123 1.00 0.00 H new ATOM 0 HB THR A 175 -4.046 -5.442 -5.389 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.713 -6.652 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.246 -7.257 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.901 -6.457 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.481 -8.047 -5.462 1.00 0.00 H new ATOM 898 N LYS A 176 -2.044 -4.020 -3.955 1.00 0.00 N ATOM 899 CA LYS A 176 -0.907 -3.125 -4.141 1.00 0.00 C ATOM 900 C LYS A 176 -0.047 -3.072 -2.881 1.00 0.00 C ATOM 901 O LYS A 176 1.181 -3.027 -2.960 1.00 0.00 O ATOM 902 CB LYS A 176 -1.386 -1.719 -4.522 1.00 0.00 C ATOM 903 CG LYS A 176 -2.190 -1.027 -3.437 1.00 0.00 C ATOM 904 CD LYS A 176 -2.614 0.373 -3.856 1.00 0.00 C ATOM 905 CE LYS A 176 -3.547 0.342 -5.057 1.00 0.00 C ATOM 906 NZ LYS A 176 -3.977 1.709 -5.462 1.00 0.00 N ATOM 0 H LYS A 176 -2.954 -3.562 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.296 -3.516 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -0.519 -1.105 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -1.994 -1.785 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -3.074 -1.621 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -1.596 -0.970 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -3.111 0.868 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -1.730 0.964 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -3.045 -0.144 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -4.425 -0.259 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -4.612 1.644 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -4.478 2.163 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -3.142 2.275 -5.714 1.00 0.00 H new ATOM 920 N ILE A 177 -0.698 -3.084 -1.720 1.00 0.00 N ATOM 921 CA ILE A 177 0.012 -3.041 -0.446 1.00 0.00 C ATOM 922 C ILE A 177 0.885 -4.279 -0.266 1.00 0.00 C ATOM 923 O ILE A 177 2.038 -4.175 0.153 1.00 0.00 O ATOM 924 CB ILE A 177 -0.964 -2.922 0.743 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.741 -1.607 0.646 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.208 -3.004 2.063 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.802 -1.434 1.712 1.00 0.00 C ATOM 0 H ILE A 177 -1.714 -3.123 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 177 0.646 -2.155 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.671 -3.751 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.038 -0.777 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.214 -1.549 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.912 -2.918 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.312 -3.960 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.517 -2.192 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.306 -0.477 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.530 -2.242 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.336 -1.458 2.697 1.00 0.00 H new ATOM 939 N ASP A 178 0.337 -5.445 -0.593 1.00 0.00 N ATOM 940 CA ASP A 178 1.082 -6.694 -0.474 1.00 0.00 C ATOM 941 C ASP A 178 2.364 -6.623 -1.296 1.00 0.00 C ATOM 942 O ASP A 178 3.435 -7.019 -0.835 1.00 0.00 O ATOM 943 CB ASP A 178 0.226 -7.876 -0.936 1.00 0.00 C ATOM 944 CG ASP A 178 -1.014 -8.066 -0.082 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.202 -7.285 0.874 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.794 -8.996 -0.370 1.00 0.00 O ATOM 0 H ASP A 178 -0.616 -5.551 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 178 1.342 -6.842 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.072 -7.721 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.825 -8.786 -0.909 1.00 0.00 H new ATOM 951 N ILE A 179 2.243 -6.101 -2.514 1.00 0.00 N ATOM 952 CA ILE A 179 3.390 -5.961 -3.401 1.00 0.00 C ATOM 953 C ILE A 179 4.438 -5.046 -2.778 1.00 0.00 C ATOM 954 O ILE A 179 5.634 -5.341 -2.809 1.00 0.00 O ATOM 955 CB ILE A 179 2.972 -5.393 -4.773 1.00 0.00 C ATOM 956 CG1 ILE A 179 1.877 -6.264 -5.401 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.176 -5.294 -5.699 1.00 0.00 C ATOM 958 CD1 ILE A 179 2.290 -7.705 -5.624 1.00 0.00 C ATOM 0 H ILE A 179 1.362 -5.769 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 179 3.813 -6.955 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 179 2.571 -4.390 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 179 0.997 -6.244 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.583 -5.829 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 179 3.862 -4.891 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.923 -4.635 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.607 -6.285 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.462 -8.256 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 179 3.150 -7.738 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.555 -8.159 -4.669 1.00 0.00 H new ATOM 970 N ILE A 180 3.977 -3.937 -2.206 1.00 0.00 N ATOM 971 CA ILE A 180 4.872 -2.982 -1.565 1.00 0.00 C ATOM 972 C ILE A 180 5.658 -3.651 -0.445 1.00 0.00 C ATOM 973 O ILE A 180 6.878 -3.522 -0.374 1.00 0.00 O ATOM 974 CB ILE A 180 4.099 -1.775 -0.992 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.413 -1.001 -2.120 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.037 -0.865 -0.208 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.601 0.185 -1.641 1.00 0.00 C ATOM 0 H ILE A 180 2.991 -3.679 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 180 5.560 -2.623 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 180 3.332 -2.143 -0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.171 -0.651 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.760 -1.679 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.476 -0.019 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.482 -1.424 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.825 -0.500 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.145 0.683 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.820 -0.159 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.253 0.885 -1.118 1.00 0.00 H new ATOM 989 N ARG A 181 4.952 -4.373 0.421 1.00 0.00 N ATOM 990 CA ARG A 181 5.588 -5.069 1.534 1.00 0.00 C ATOM 991 C ARG A 181 6.755 -5.911 1.032 1.00 0.00 C ATOM 992 O ARG A 181 7.820 -5.944 1.648 1.00 0.00 O ATOM 993 CB ARG A 181 4.574 -5.956 2.260 1.00 0.00 C ATOM 994 CG ARG A 181 5.157 -6.694 3.455 1.00 0.00 C ATOM 995 CD ARG A 181 4.124 -7.593 4.115 1.00 0.00 C ATOM 996 NE ARG A 181 3.635 -8.623 3.203 1.00 0.00 N ATOM 997 CZ ARG A 181 2.741 -9.548 3.544 1.00 0.00 C ATOM 998 NH1 ARG A 181 2.241 -9.572 4.773 1.00 0.00 N ATOM 999 NH2 ARG A 181 2.349 -10.451 2.656 1.00 0.00 N ATOM 0 H ARG A 181 3.940 -4.491 0.373 1.00 0.00 H new ATOM 0 HA ARG A 181 5.966 -4.325 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.740 -5.340 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.170 -6.683 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 181 6.009 -7.293 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.530 -5.973 4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 181 4.563 -8.065 4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.286 -6.989 4.463 1.00 0.00 H new ATOM 0 HE ARG A 181 3.999 -8.634 2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 181 2.542 -8.880 5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 181 1.556 -10.282 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 181 2.733 -10.437 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 181 1.664 -11.160 2.918 1.00 0.00 H new ATOM 1013 N MET A 182 6.549 -6.577 -0.100 1.00 0.00 N ATOM 1014 CA MET A 182 7.588 -7.405 -0.697 1.00 0.00 C ATOM 1015 C MET A 182 8.806 -6.555 -1.042 1.00 0.00 C ATOM 1016 O MET A 182 9.946 -6.987 -0.875 1.00 0.00 O ATOM 1017 CB MET A 182 7.059 -8.103 -1.953 1.00 0.00 C ATOM 1018 CG MET A 182 8.081 -9.009 -2.623 1.00 0.00 C ATOM 1019 SD MET A 182 8.663 -10.326 -1.535 1.00 0.00 S ATOM 1020 CE MET A 182 7.134 -11.195 -1.199 1.00 0.00 C ATOM 0 H MET A 182 5.672 -6.559 -0.621 1.00 0.00 H new ATOM 0 HA MET A 182 7.883 -8.166 0.026 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.181 -8.693 -1.688 1.00 0.00 H new ATOM 0 HB3 MET A 182 6.732 -7.348 -2.668 1.00 0.00 H new ATOM 0 HG2 MET A 182 7.639 -9.450 -3.516 1.00 0.00 H new ATOM 0 HG3 MET A 182 8.932 -8.411 -2.950 1.00 0.00 H new ATOM 0 HE1 MET A 182 7.358 -12.185 -0.802 1.00 0.00 H new ATOM 0 HE2 MET A 182 6.550 -10.635 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 182 6.562 -11.295 -2.121 1.00 0.00 H new ATOM 1030 N GLN A 183 8.552 -5.341 -1.524 1.00 0.00 N ATOM 1031 CA GLN A 183 9.624 -4.421 -1.892 1.00 0.00 C ATOM 1032 C GLN A 183 10.451 -4.030 -0.671 1.00 0.00 C ATOM 1033 O GLN A 183 11.680 -3.986 -0.730 1.00 0.00 O ATOM 1034 CB GLN A 183 9.046 -3.165 -2.544 1.00 0.00 C ATOM 1035 CG GLN A 183 8.188 -3.454 -3.767 1.00 0.00 C ATOM 1036 CD GLN A 183 7.584 -2.204 -4.385 1.00 0.00 C ATOM 1037 OE1 GLN A 183 7.864 -1.045 -3.795 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 6.871 -2.280 -5.385 1.00 0.00 N flip ATOM 0 H GLN A 183 7.612 -4.972 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 183 10.273 -4.930 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.447 -2.627 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.865 -2.506 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 183 8.794 -3.965 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.386 -4.137 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 183 6.680 -3.189 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 183 6.471 -1.434 -5.791 1.00 0.00 H new ATOM 1047 N LEU A 184 9.768 -3.737 0.432 1.00 0.00 N ATOM 1048 CA LEU A 184 10.438 -3.340 1.666 1.00 0.00 C ATOM 1049 C LEU A 184 11.369 -4.436 2.174 1.00 0.00 C ATOM 1050 O LEU A 184 12.555 -4.195 2.395 1.00 0.00 O ATOM 1051 CB LEU A 184 9.408 -2.981 2.744 1.00 0.00 C ATOM 1052 CG LEU A 184 8.764 -1.596 2.604 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.820 -0.507 2.686 1.00 0.00 C ATOM 1054 CD2 LEU A 184 7.992 -1.482 1.299 1.00 0.00 C ATOM 0 H LEU A 184 8.750 -3.767 0.496 1.00 0.00 H new ATOM 0 HA LEU A 184 11.043 -2.461 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.619 -3.733 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.892 -3.041 3.719 1.00 0.00 H new ATOM 0 HG LEU A 184 8.062 -1.468 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.345 0.469 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 184 10.328 -0.565 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.545 -0.642 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.546 -0.490 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.670 -1.638 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.206 -2.236 1.274 1.00 0.00 H new ATOM 1066 N ARG A 185 10.834 -5.641 2.354 1.00 0.00 N ATOM 1067 CA ARG A 185 11.635 -6.761 2.835 1.00 0.00 C ATOM 1068 C ARG A 185 12.785 -7.052 1.876 1.00 0.00 C ATOM 1069 O ARG A 185 13.907 -7.327 2.301 1.00 0.00 O ATOM 1070 CB ARG A 185 10.768 -8.013 3.013 1.00 0.00 C ATOM 1071 CG ARG A 185 10.060 -8.453 1.742 1.00 0.00 C ATOM 1072 CD ARG A 185 9.328 -9.771 1.938 1.00 0.00 C ATOM 1073 NE ARG A 185 10.243 -10.857 2.278 1.00 0.00 N ATOM 1074 CZ ARG A 185 9.860 -12.116 2.460 1.00 0.00 C ATOM 1075 NH1 ARG A 185 8.583 -12.451 2.331 1.00 0.00 N ATOM 1076 NH2 ARG A 185 10.755 -13.045 2.769 1.00 0.00 N ATOM 0 H ARG A 185 9.855 -5.865 2.175 1.00 0.00 H new ATOM 0 HA ARG A 185 12.050 -6.485 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.395 -8.830 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 185 10.023 -7.821 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.351 -7.684 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 185 10.787 -8.556 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.586 -9.660 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 185 8.786 -10.024 1.027 1.00 0.00 H new ATOM 0 HE ARG A 185 11.233 -10.636 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 185 7.891 -11.741 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 185 8.293 -13.419 2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 185 11.739 -12.793 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 185 10.460 -14.011 2.909 1.00 0.00 H new ATOM 1090 N ARG A 186 12.496 -6.987 0.581 1.00 0.00 N ATOM 1091 CA ARG A 186 13.496 -7.242 -0.448 1.00 0.00 C ATOM 1092 C ARG A 186 14.623 -6.212 -0.391 1.00 0.00 C ATOM 1093 O ARG A 186 15.783 -6.536 -0.637 1.00 0.00 O ATOM 1094 CB ARG A 186 12.842 -7.223 -1.832 1.00 0.00 C ATOM 1095 CG ARG A 186 13.792 -7.579 -2.963 1.00 0.00 C ATOM 1096 CD ARG A 186 14.320 -8.998 -2.825 1.00 0.00 C ATOM 1097 NE ARG A 186 13.242 -9.983 -2.823 1.00 0.00 N ATOM 1098 CZ ARG A 186 13.435 -11.292 -2.682 1.00 0.00 C ATOM 1099 NH1 ARG A 186 14.661 -11.772 -2.523 1.00 0.00 N ATOM 1100 NH2 ARG A 186 12.399 -12.119 -2.693 1.00 0.00 N ATOM 0 H ARG A 186 11.571 -6.758 0.218 1.00 0.00 H new ATOM 0 HA ARG A 186 13.926 -8.227 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.006 -7.922 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.429 -6.231 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 186 13.277 -7.473 -3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 186 14.627 -6.879 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 186 15.005 -9.212 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 186 14.892 -9.084 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 186 12.285 -9.648 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 186 15.459 -11.137 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 186 14.806 -12.776 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 186 11.455 -11.752 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 186 12.546 -13.123 -2.585 1.00 0.00 H new ATOM 1114 N ALA A 187 14.271 -4.969 -0.075 1.00 0.00 N ATOM 1115 CA ALA A 187 15.250 -3.891 0.003 1.00 0.00 C ATOM 1116 C ALA A 187 16.273 -4.147 1.106 1.00 0.00 C ATOM 1117 O ALA A 187 17.477 -4.005 0.892 1.00 0.00 O ATOM 1118 CB ALA A 187 14.550 -2.559 0.231 1.00 0.00 C ATOM 0 H ALA A 187 13.314 -4.684 0.131 1.00 0.00 H new ATOM 0 HA ALA A 187 15.784 -3.854 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.292 -1.763 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.867 -2.361 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.988 -2.598 1.164 1.00 0.00 H new