USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 128 SER OG : rot 180:sc= -0.182 USER MOD Single : A 129 TYR OH : rot 26:sc= 0.457 USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 134 LYS NZ :NH3+ -162:sc= -0.0688 (180deg=-0.441) USER MOD Single : A 136 GLN : amide:sc= -4.71! K(o=-4.7!,f=-2.3) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0.227 X(o=0.23,f=-0.048) USER MOD Single : A 142 GLN : amide:sc= 0.323 X(o=0.32,f=-0.038) USER MOD Single : A 144 TYR OH : rot 30:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.34) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0545) USER MOD Single : A 156 SER OG : rot -14:sc= 0.75 USER MOD Single : A 157 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.079) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot 99:sc= 1.29 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.083) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 180 MET CE :methyl 162:sc= -0.0979 (180deg=-0.485) USER MOD Single : A 183 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.113 10.577 3.671 1.00 0.00 N ATOM 129 CA ALA A 126 -4.640 9.255 3.279 1.00 0.00 C ATOM 130 C ALA A 126 -3.236 9.324 2.689 1.00 0.00 C ATOM 131 O ALA A 126 -2.591 8.296 2.477 1.00 0.00 O ATOM 132 CB ALA A 126 -5.601 8.623 2.284 1.00 0.00 C ATOM 0 HA ALA A 126 -4.599 8.634 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.235 7.636 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.586 8.527 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -5.672 9.252 1.397 1.00 0.00 H new ATOM 138 N LEU A 127 -2.767 10.540 2.425 1.00 0.00 N ATOM 139 CA LEU A 127 -1.438 10.738 1.858 1.00 0.00 C ATOM 140 C LEU A 127 -0.367 10.597 2.933 1.00 0.00 C ATOM 141 O LEU A 127 0.819 10.786 2.670 1.00 0.00 O ATOM 142 CB LEU A 127 -1.339 12.119 1.198 1.00 0.00 C ATOM 143 CG LEU A 127 -0.731 12.138 -0.210 1.00 0.00 C ATOM 144 CD1 LEU A 127 0.683 11.574 -0.202 1.00 0.00 C ATOM 145 CD2 LEU A 127 -1.608 11.359 -1.181 1.00 0.00 C ATOM 0 H LEU A 127 -3.287 11.401 2.594 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.274 9.971 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.339 12.551 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.743 12.767 1.841 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.681 13.175 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.090 11.599 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.310 12.174 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.662 10.544 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.161 11.383 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.692 10.325 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.600 11.810 -1.218 1.00 0.00 H new ATOM 157 N SER A 128 -0.794 10.265 4.148 1.00 0.00 N ATOM 158 CA SER A 128 0.130 10.098 5.264 1.00 0.00 C ATOM 159 C SER A 128 1.086 8.940 5.009 1.00 0.00 C ATOM 160 O SER A 128 2.305 9.103 5.065 1.00 0.00 O ATOM 161 CB SER A 128 -0.643 9.858 6.561 1.00 0.00 C ATOM 162 OG SER A 128 -1.447 8.695 6.471 1.00 0.00 O ATOM 0 H SER A 128 -1.774 10.107 4.384 1.00 0.00 H new ATOM 0 HA SER A 128 0.713 11.014 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 128 0.057 9.756 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.271 10.722 6.778 1.00 0.00 H new ATOM 0 HG SER A 128 -1.929 8.564 7.314 1.00 0.00 H new ATOM 168 N TYR A 129 0.524 7.768 4.729 1.00 0.00 N ATOM 169 CA TYR A 129 1.323 6.578 4.464 1.00 0.00 C ATOM 170 C TYR A 129 1.951 6.641 3.074 1.00 0.00 C ATOM 171 O TYR A 129 3.117 6.286 2.891 1.00 0.00 O ATOM 172 CB TYR A 129 0.461 5.321 4.598 1.00 0.00 C ATOM 173 CG TYR A 129 1.189 4.046 4.236 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.230 3.568 5.024 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.835 3.321 3.106 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.896 2.403 4.696 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.496 2.155 2.770 1.00 0.00 C ATOM 178 CZ TYR A 129 2.525 1.700 3.568 1.00 0.00 C ATOM 179 OH TYR A 129 3.185 0.539 3.237 1.00 0.00 O ATOM 0 H TYR A 129 -0.484 7.618 4.680 1.00 0.00 H new ATOM 0 HA TYR A 129 2.126 6.537 5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 129 0.101 5.245 5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.416 5.422 3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.523 4.117 5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 129 0.030 3.674 2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.702 2.045 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.209 1.603 1.887 1.00 0.00 H new ATOM 0 HH TYR A 129 3.564 0.136 4.046 1.00 0.00 H new ATOM 189 N LEU A 130 1.170 7.091 2.096 1.00 0.00 N ATOM 190 CA LEU A 130 1.652 7.202 0.725 1.00 0.00 C ATOM 191 C LEU A 130 2.859 8.131 0.648 1.00 0.00 C ATOM 192 O LEU A 130 3.713 7.980 -0.226 1.00 0.00 O ATOM 193 CB LEU A 130 0.540 7.706 -0.197 1.00 0.00 C ATOM 194 CG LEU A 130 -0.681 6.790 -0.308 1.00 0.00 C ATOM 195 CD1 LEU A 130 -1.748 7.433 -1.179 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.286 5.432 -0.870 1.00 0.00 C ATOM 0 H LEU A 130 0.202 7.384 2.228 1.00 0.00 H new ATOM 0 HA LEU A 130 1.958 6.210 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 130 0.210 8.682 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.956 7.853 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.089 6.642 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -2.610 6.769 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.055 8.381 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.345 7.610 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.169 4.797 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.148 5.561 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.446 4.964 -0.211 1.00 0.00 H new ATOM 208 N ASP A 131 2.925 9.096 1.563 1.00 0.00 N ATOM 209 CA ASP A 131 4.038 10.037 1.595 1.00 0.00 C ATOM 210 C ASP A 131 5.323 9.317 1.982 1.00 0.00 C ATOM 211 O ASP A 131 6.397 9.618 1.462 1.00 0.00 O ATOM 212 CB ASP A 131 3.757 11.173 2.580 1.00 0.00 C ATOM 213 CG ASP A 131 4.916 12.146 2.688 1.00 0.00 C ATOM 214 OD1 ASP A 131 5.812 11.912 3.525 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.926 13.143 1.935 1.00 0.00 O ATOM 0 H ASP A 131 2.223 9.245 2.288 1.00 0.00 H new ATOM 0 HA ASP A 131 4.156 10.464 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.863 11.711 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.546 10.753 3.564 1.00 0.00 H new ATOM 220 N GLN A 132 5.201 8.364 2.901 1.00 0.00 N ATOM 221 CA GLN A 132 6.350 7.589 3.352 1.00 0.00 C ATOM 222 C GLN A 132 6.843 6.679 2.237 1.00 0.00 C ATOM 223 O GLN A 132 8.042 6.590 1.977 1.00 0.00 O ATOM 224 CB GLN A 132 5.982 6.757 4.582 1.00 0.00 C ATOM 225 CG GLN A 132 5.508 7.592 5.760 1.00 0.00 C ATOM 226 CD GLN A 132 5.152 6.747 6.967 1.00 0.00 C ATOM 227 OE1 GLN A 132 4.009 6.319 7.125 1.00 0.00 O ATOM 228 NE2 GLN A 132 6.133 6.504 7.828 1.00 0.00 N ATOM 0 H GLN A 132 4.319 8.111 3.347 1.00 0.00 H new ATOM 0 HA GLN A 132 7.148 8.280 3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 132 5.199 6.049 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.849 6.172 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 132 6.288 8.302 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 132 4.638 8.176 5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 132 7.066 6.879 7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 132 5.954 5.942 8.660 1.00 0.00 H new ATOM 237 N VAL A 133 5.906 6.002 1.577 1.00 0.00 N ATOM 238 CA VAL A 133 6.247 5.105 0.480 1.00 0.00 C ATOM 239 C VAL A 133 6.969 5.865 -0.629 1.00 0.00 C ATOM 240 O VAL A 133 7.978 5.401 -1.160 1.00 0.00 O ATOM 241 CB VAL A 133 4.989 4.432 -0.107 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.367 3.458 -1.213 1.00 0.00 C ATOM 243 CG2 VAL A 133 4.200 3.729 0.985 1.00 0.00 C ATOM 0 H VAL A 133 4.909 6.058 1.783 1.00 0.00 H new ATOM 0 HA VAL A 133 6.903 4.334 0.884 1.00 0.00 H new ATOM 0 HB VAL A 133 4.356 5.207 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.465 2.994 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.883 3.994 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.023 2.687 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.317 3.260 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.824 2.966 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.893 4.456 1.737 1.00 0.00 H new ATOM 253 N LYS A 134 6.442 7.037 -0.968 1.00 0.00 N ATOM 254 CA LYS A 134 7.024 7.873 -2.012 1.00 0.00 C ATOM 255 C LYS A 134 8.343 8.492 -1.552 1.00 0.00 C ATOM 256 O LYS A 134 9.218 8.783 -2.369 1.00 0.00 O ATOM 257 CB LYS A 134 6.036 8.973 -2.413 1.00 0.00 C ATOM 258 CG LYS A 134 6.569 9.920 -3.479 1.00 0.00 C ATOM 259 CD LYS A 134 5.516 10.935 -3.903 1.00 0.00 C ATOM 260 CE LYS A 134 4.393 10.282 -4.696 1.00 0.00 C ATOM 261 NZ LYS A 134 4.895 9.617 -5.930 1.00 0.00 N ATOM 0 H LYS A 134 5.608 7.431 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 134 7.231 7.243 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 134 5.119 8.510 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.771 9.550 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.446 10.442 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.893 9.346 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.103 11.421 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.983 11.713 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.886 9.548 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.654 11.036 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.103 9.456 -6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.604 10.224 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.329 8.705 -5.681 1.00 0.00 H new ATOM 275 N LEU A 135 8.481 8.691 -0.244 1.00 0.00 N ATOM 276 CA LEU A 135 9.694 9.282 0.315 1.00 0.00 C ATOM 277 C LEU A 135 10.869 8.309 0.235 1.00 0.00 C ATOM 278 O LEU A 135 11.947 8.664 -0.242 1.00 0.00 O ATOM 279 CB LEU A 135 9.465 9.701 1.769 1.00 0.00 C ATOM 280 CG LEU A 135 10.634 10.444 2.422 1.00 0.00 C ATOM 281 CD1 LEU A 135 10.886 11.770 1.720 1.00 0.00 C ATOM 282 CD2 LEU A 135 10.365 10.669 3.903 1.00 0.00 C ATOM 0 H LEU A 135 7.770 8.453 0.447 1.00 0.00 H new ATOM 0 HA LEU A 135 9.937 10.165 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.581 10.337 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 135 9.247 8.810 2.358 1.00 0.00 H new ATOM 0 HG LEU A 135 11.528 9.828 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 135 11.720 12.282 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 135 11.125 11.587 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.993 12.392 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 135 11.207 11.198 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 135 9.459 11.263 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 135 10.237 9.707 4.400 1.00 0.00 H new ATOM 294 N GLN A 136 10.656 7.084 0.708 1.00 0.00 N ATOM 295 CA GLN A 136 11.701 6.065 0.690 1.00 0.00 C ATOM 296 C GLN A 136 11.965 5.572 -0.729 1.00 0.00 C ATOM 297 O GLN A 136 13.082 5.172 -1.057 1.00 0.00 O ATOM 298 CB GLN A 136 11.315 4.882 1.581 1.00 0.00 C ATOM 299 CG GLN A 136 11.492 5.146 3.068 1.00 0.00 C ATOM 300 CD GLN A 136 10.556 6.216 3.592 1.00 0.00 C ATOM 301 OE1 GLN A 136 9.455 5.921 4.057 1.00 0.00 O ATOM 302 NE2 GLN A 136 10.988 7.469 3.517 1.00 0.00 N ATOM 0 H GLN A 136 9.771 6.773 1.108 1.00 0.00 H new ATOM 0 HA GLN A 136 12.613 6.522 1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.274 4.621 1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.917 4.018 1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 136 11.323 4.221 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.522 5.447 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 136 11.908 7.669 3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.400 8.232 3.852 1.00 0.00 H new ATOM 311 N PHE A 137 10.932 5.603 -1.565 1.00 0.00 N ATOM 312 CA PHE A 137 11.056 5.150 -2.945 1.00 0.00 C ATOM 313 C PHE A 137 10.604 6.231 -3.923 1.00 0.00 C ATOM 314 O PHE A 137 9.406 6.455 -4.105 1.00 0.00 O ATOM 315 CB PHE A 137 10.233 3.879 -3.159 1.00 0.00 C ATOM 316 CG PHE A 137 10.556 2.784 -2.183 1.00 0.00 C ATOM 317 CD1 PHE A 137 11.557 1.867 -2.458 1.00 0.00 C ATOM 318 CD2 PHE A 137 9.857 2.671 -0.992 1.00 0.00 C ATOM 319 CE1 PHE A 137 11.856 0.857 -1.563 1.00 0.00 C ATOM 320 CE2 PHE A 137 10.152 1.664 -0.093 1.00 0.00 C ATOM 321 CZ PHE A 137 11.152 0.756 -0.378 1.00 0.00 C ATOM 0 H PHE A 137 10.002 5.936 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 137 12.108 4.935 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 137 9.174 4.124 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 137 10.401 3.513 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 137 12.110 1.942 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 137 9.073 3.378 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 137 12.639 0.148 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 137 9.600 1.587 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.384 -0.032 0.324 1.00 0.00 H new ATOM 331 N GLY A 138 11.570 6.898 -4.545 1.00 0.00 N ATOM 332 CA GLY A 138 11.255 7.946 -5.502 1.00 0.00 C ATOM 333 C GLY A 138 11.954 7.748 -6.834 1.00 0.00 C ATOM 334 O GLY A 138 11.449 8.169 -7.874 1.00 0.00 O ATOM 0 H GLY A 138 12.567 6.733 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.177 7.975 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.541 8.912 -5.085 1.00 0.00 H new ATOM 338 N SER A 139 13.119 7.108 -6.801 1.00 0.00 N ATOM 339 CA SER A 139 13.891 6.859 -8.013 1.00 0.00 C ATOM 340 C SER A 139 13.401 5.600 -8.725 1.00 0.00 C ATOM 341 O SER A 139 13.758 5.348 -9.875 1.00 0.00 O ATOM 342 CB SER A 139 15.377 6.723 -7.673 1.00 0.00 C ATOM 343 OG SER A 139 15.868 7.903 -7.062 1.00 0.00 O ATOM 0 H SER A 139 13.549 6.752 -5.947 1.00 0.00 H new ATOM 0 HA SER A 139 13.753 7.707 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 139 15.525 5.875 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.944 6.516 -8.581 1.00 0.00 H new ATOM 0 HG SER A 139 16.819 7.792 -6.852 1.00 0.00 H new ATOM 349 N GLN A 140 12.580 4.816 -8.031 1.00 0.00 N ATOM 350 CA GLN A 140 12.036 3.584 -8.593 1.00 0.00 C ATOM 351 C GLN A 140 10.510 3.651 -8.681 1.00 0.00 C ATOM 352 O GLN A 140 9.813 3.207 -7.769 1.00 0.00 O ATOM 353 CB GLN A 140 12.453 2.382 -7.743 1.00 0.00 C ATOM 354 CG GLN A 140 13.952 2.130 -7.727 1.00 0.00 C ATOM 355 CD GLN A 140 14.493 1.738 -9.089 1.00 0.00 C ATOM 356 OE1 GLN A 140 14.544 0.557 -9.433 1.00 0.00 O ATOM 357 NE2 GLN A 140 14.903 2.729 -9.870 1.00 0.00 N ATOM 0 H GLN A 140 12.277 5.013 -7.077 1.00 0.00 H new ATOM 0 HA GLN A 140 12.437 3.467 -9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.109 2.536 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.949 1.492 -8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.464 3.028 -7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.176 1.340 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 140 14.842 3.694 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 140 15.279 2.526 -10.796 1.00 0.00 H new ATOM 366 N PRO A 141 9.970 4.219 -9.776 1.00 0.00 N ATOM 367 CA PRO A 141 8.518 4.333 -9.970 1.00 0.00 C ATOM 368 C PRO A 141 7.830 2.973 -10.011 1.00 0.00 C ATOM 369 O PRO A 141 6.621 2.873 -9.797 1.00 0.00 O ATOM 370 CB PRO A 141 8.382 5.037 -11.325 1.00 0.00 C ATOM 371 CG PRO A 141 9.701 5.687 -11.564 1.00 0.00 C ATOM 372 CD PRO A 141 10.720 4.806 -10.901 1.00 0.00 C ATOM 0 HA PRO A 141 8.045 4.871 -9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.145 4.325 -12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 141 7.578 5.773 -11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.902 5.782 -12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 141 9.722 6.693 -11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.094 4.040 -11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.583 5.376 -10.557 1.00 0.00 H new ATOM 380 N GLN A 142 8.605 1.927 -10.285 1.00 0.00 N ATOM 381 CA GLN A 142 8.068 0.572 -10.361 1.00 0.00 C ATOM 382 C GLN A 142 7.540 0.112 -9.005 1.00 0.00 C ATOM 383 O GLN A 142 6.573 -0.645 -8.932 1.00 0.00 O ATOM 384 CB GLN A 142 9.145 -0.397 -10.856 1.00 0.00 C ATOM 385 CG GLN A 142 8.657 -1.829 -11.014 1.00 0.00 C ATOM 386 CD GLN A 142 7.572 -1.967 -12.064 1.00 0.00 C ATOM 387 OE1 GLN A 142 7.855 -2.202 -13.239 1.00 0.00 O ATOM 388 NE2 GLN A 142 6.319 -1.820 -11.645 1.00 0.00 N ATOM 0 H GLN A 142 9.608 1.992 -10.458 1.00 0.00 H new ATOM 0 HA GLN A 142 7.238 0.579 -11.067 1.00 0.00 H new ATOM 0 HB2 GLN A 142 9.525 -0.045 -11.815 1.00 0.00 H new ATOM 0 HB3 GLN A 142 9.982 -0.383 -10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 142 9.499 -2.468 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.278 -2.187 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 142 6.130 -1.626 -10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 142 5.547 -1.901 -12.307 1.00 0.00 H new ATOM 397 N VAL A 143 8.181 0.571 -7.934 1.00 0.00 N ATOM 398 CA VAL A 143 7.769 0.203 -6.586 1.00 0.00 C ATOM 399 C VAL A 143 6.390 0.774 -6.263 1.00 0.00 C ATOM 400 O VAL A 143 5.503 0.057 -5.797 1.00 0.00 O ATOM 401 CB VAL A 143 8.776 0.698 -5.531 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.410 0.170 -4.153 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.193 0.290 -5.908 1.00 0.00 C ATOM 0 H VAL A 143 8.986 1.197 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 143 7.730 -0.886 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 143 8.734 1.787 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.133 0.531 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.414 0.520 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.420 -0.920 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.889 0.649 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.254 -0.796 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.452 0.725 -6.873 1.00 0.00 H new ATOM 413 N TYR A 144 6.222 2.068 -6.518 1.00 0.00 N ATOM 414 CA TYR A 144 4.955 2.741 -6.257 1.00 0.00 C ATOM 415 C TYR A 144 3.849 2.158 -7.131 1.00 0.00 C ATOM 416 O TYR A 144 2.726 1.942 -6.671 1.00 0.00 O ATOM 417 CB TYR A 144 5.092 4.244 -6.520 1.00 0.00 C ATOM 418 CG TYR A 144 4.066 5.087 -5.794 1.00 0.00 C ATOM 419 CD1 TYR A 144 2.767 5.208 -6.274 1.00 0.00 C ATOM 420 CD2 TYR A 144 4.400 5.766 -4.629 1.00 0.00 C ATOM 421 CE1 TYR A 144 1.831 5.978 -5.611 1.00 0.00 C ATOM 422 CE2 TYR A 144 3.469 6.539 -3.960 1.00 0.00 C ATOM 423 CZ TYR A 144 2.186 6.642 -4.456 1.00 0.00 C ATOM 424 OH TYR A 144 1.256 7.409 -3.794 1.00 0.00 O ATOM 0 H TYR A 144 6.948 2.671 -6.905 1.00 0.00 H new ATOM 0 HA TYR A 144 4.691 2.585 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.090 4.566 -6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.005 4.425 -7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 144 2.485 4.692 -7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 144 5.404 5.689 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 144 0.825 6.060 -5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 144 3.745 7.059 -3.054 1.00 0.00 H new ATOM 0 HH TYR A 144 0.361 7.036 -3.939 1.00 0.00 H new ATOM 434 N ASN A 145 4.182 1.902 -8.393 1.00 0.00 N ATOM 435 CA ASN A 145 3.230 1.340 -9.344 1.00 0.00 C ATOM 436 C ASN A 145 2.752 -0.032 -8.883 1.00 0.00 C ATOM 437 O ASN A 145 1.558 -0.332 -8.925 1.00 0.00 O ATOM 438 CB ASN A 145 3.870 1.233 -10.731 1.00 0.00 C ATOM 439 CG ASN A 145 4.093 2.589 -11.373 1.00 0.00 C ATOM 440 OD1 ASN A 145 5.046 2.781 -12.128 1.00 0.00 O ATOM 441 ND2 ASN A 145 3.211 3.539 -11.079 1.00 0.00 N ATOM 0 H ASN A 145 5.109 2.076 -8.781 1.00 0.00 H new ATOM 0 HA ASN A 145 2.368 2.005 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.824 0.712 -10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 145 3.232 0.629 -11.377 1.00 0.00 H new ATOM 0 HD21 ASN A 145 3.310 4.470 -11.484 1.00 0.00 H new ATOM 0 HD22 ASN A 145 2.435 3.337 -10.448 1.00 0.00 H new ATOM 448 N ASP A 146 3.694 -0.861 -8.445 1.00 0.00 N ATOM 449 CA ASP A 146 3.373 -2.201 -7.971 1.00 0.00 C ATOM 450 C ASP A 146 2.424 -2.136 -6.781 1.00 0.00 C ATOM 451 O ASP A 146 1.447 -2.881 -6.712 1.00 0.00 O ATOM 452 CB ASP A 146 4.648 -2.950 -7.582 1.00 0.00 C ATOM 453 CG ASP A 146 4.374 -4.387 -7.182 1.00 0.00 C ATOM 454 OD1 ASP A 146 4.124 -4.632 -5.982 1.00 0.00 O ATOM 455 OD2 ASP A 146 4.409 -5.267 -8.067 1.00 0.00 O ATOM 0 H ASP A 146 4.686 -0.628 -8.409 1.00 0.00 H new ATOM 0 HA ASP A 146 2.881 -2.740 -8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.345 -2.935 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.133 -2.431 -6.755 1.00 0.00 H new ATOM 460 N PHE A 147 2.721 -1.239 -5.843 1.00 0.00 N ATOM 461 CA PHE A 147 1.890 -1.073 -4.657 1.00 0.00 C ATOM 462 C PHE A 147 0.448 -0.765 -5.047 1.00 0.00 C ATOM 463 O PHE A 147 -0.487 -1.391 -4.549 1.00 0.00 O ATOM 464 CB PHE A 147 2.441 0.047 -3.771 1.00 0.00 C ATOM 465 CG PHE A 147 1.592 0.328 -2.563 1.00 0.00 C ATOM 466 CD1 PHE A 147 1.617 -0.522 -1.470 1.00 0.00 C ATOM 467 CD2 PHE A 147 0.765 1.439 -2.525 1.00 0.00 C ATOM 468 CE1 PHE A 147 0.834 -0.269 -0.360 1.00 0.00 C ATOM 469 CE2 PHE A 147 -0.021 1.697 -1.418 1.00 0.00 C ATOM 470 CZ PHE A 147 0.013 0.842 -0.335 1.00 0.00 C ATOM 0 H PHE A 147 3.529 -0.618 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 147 1.908 -2.008 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.446 -0.220 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.529 0.958 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.256 -1.393 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.734 2.111 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 147 0.864 -0.939 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.661 2.567 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.601 1.041 0.531 1.00 0.00 H new ATOM 480 N LEU A 148 0.276 0.205 -5.942 1.00 0.00 N ATOM 481 CA LEU A 148 -1.052 0.595 -6.403 1.00 0.00 C ATOM 482 C LEU A 148 -1.759 -0.573 -7.082 1.00 0.00 C ATOM 483 O LEU A 148 -2.975 -0.728 -6.963 1.00 0.00 O ATOM 484 CB LEU A 148 -0.956 1.774 -7.372 1.00 0.00 C ATOM 485 CG LEU A 148 -0.411 3.070 -6.772 1.00 0.00 C ATOM 486 CD1 LEU A 148 -0.231 4.122 -7.856 1.00 0.00 C ATOM 487 CD2 LEU A 148 -1.337 3.583 -5.679 1.00 0.00 C ATOM 0 H LEU A 148 1.040 0.735 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.634 0.895 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.320 1.485 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.948 1.970 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 148 0.562 2.862 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.158 5.039 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.471 3.756 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -1.192 4.326 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.933 4.506 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -2.324 3.776 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -1.418 2.835 -4.890 1.00 0.00 H new ATOM 499 N ASP A 149 -0.991 -1.390 -7.795 1.00 0.00 N ATOM 500 CA ASP A 149 -1.546 -2.543 -8.492 1.00 0.00 C ATOM 501 C ASP A 149 -2.169 -3.526 -7.506 1.00 0.00 C ATOM 502 O ASP A 149 -3.339 -3.888 -7.627 1.00 0.00 O ATOM 503 CB ASP A 149 -0.459 -3.244 -9.308 1.00 0.00 C ATOM 504 CG ASP A 149 -1.013 -4.376 -10.150 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.145 -5.500 -9.622 1.00 0.00 O ATOM 506 OD2 ASP A 149 -1.316 -4.140 -11.338 1.00 0.00 O ATOM 0 H ASP A 149 0.016 -1.275 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.325 -2.188 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 149 0.031 -2.518 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 149 0.303 -3.635 -8.634 1.00 0.00 H new ATOM 511 N ILE A 150 -1.378 -3.952 -6.527 1.00 0.00 N ATOM 512 CA ILE A 150 -1.850 -4.894 -5.520 1.00 0.00 C ATOM 513 C ILE A 150 -3.089 -4.361 -4.808 1.00 0.00 C ATOM 514 O ILE A 150 -4.069 -5.083 -4.618 1.00 0.00 O ATOM 515 CB ILE A 150 -0.761 -5.182 -4.468 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.547 -5.593 -5.148 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.228 -6.267 -3.508 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.727 -5.653 -4.202 1.00 0.00 C ATOM 0 H ILE A 150 -0.408 -3.660 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.099 -5.817 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.579 -4.270 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.414 -6.570 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.769 -4.887 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.449 -6.460 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.135 -5.938 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.435 -7.181 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.620 -5.951 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.886 -4.671 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.526 -6.380 -3.415 1.00 0.00 H new ATOM 530 N MET A 151 -3.037 -3.091 -4.422 1.00 0.00 N ATOM 531 CA MET A 151 -4.149 -2.458 -3.724 1.00 0.00 C ATOM 532 C MET A 151 -5.402 -2.433 -4.593 1.00 0.00 C ATOM 533 O MET A 151 -6.519 -2.549 -4.086 1.00 0.00 O ATOM 534 CB MET A 151 -3.773 -1.036 -3.303 1.00 0.00 C ATOM 535 CG MET A 151 -4.638 -0.490 -2.180 1.00 0.00 C ATOM 536 SD MET A 151 -4.537 -1.495 -0.687 1.00 0.00 S ATOM 537 CE MET A 151 -5.766 -0.700 0.346 1.00 0.00 C ATOM 0 H MET A 151 -2.236 -2.480 -4.581 1.00 0.00 H new ATOM 0 HA MET A 151 -4.365 -3.047 -2.833 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.730 -1.022 -2.987 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.853 -0.376 -4.167 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.330 0.530 -1.950 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.675 -0.442 -2.513 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.819 -1.211 1.307 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.489 0.342 0.504 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.738 -0.747 -0.144 1.00 0.00 H new ATOM 547 N LYS A 152 -5.216 -2.280 -5.901 1.00 0.00 N ATOM 548 CA LYS A 152 -6.343 -2.248 -6.827 1.00 0.00 C ATOM 549 C LYS A 152 -6.953 -3.639 -6.960 1.00 0.00 C ATOM 550 O LYS A 152 -8.158 -3.782 -7.171 1.00 0.00 O ATOM 551 CB LYS A 152 -5.906 -1.707 -8.197 1.00 0.00 C ATOM 552 CG LYS A 152 -5.712 -2.774 -9.265 1.00 0.00 C ATOM 553 CD LYS A 152 -5.320 -2.157 -10.598 1.00 0.00 C ATOM 554 CE LYS A 152 -5.222 -3.210 -11.690 1.00 0.00 C ATOM 555 NZ LYS A 152 -4.873 -2.613 -13.008 1.00 0.00 N ATOM 0 H LYS A 152 -4.302 -2.177 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.102 -1.575 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -6.652 -0.993 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.972 -1.158 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -4.941 -3.475 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -6.633 -3.345 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -6.055 -1.404 -10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.363 -1.646 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.469 -3.949 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -6.172 -3.738 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -4.816 -3.364 -13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -5.604 -1.927 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -3.954 -2.131 -12.938 1.00 0.00 H new ATOM 569 N GLU A 153 -6.111 -4.662 -6.839 1.00 0.00 N ATOM 570 CA GLU A 153 -6.570 -6.042 -6.929 1.00 0.00 C ATOM 571 C GLU A 153 -7.387 -6.411 -5.695 1.00 0.00 C ATOM 572 O GLU A 153 -8.366 -7.153 -5.784 1.00 0.00 O ATOM 573 CB GLU A 153 -5.381 -6.993 -7.079 1.00 0.00 C ATOM 574 CG GLU A 153 -4.594 -6.790 -8.365 1.00 0.00 C ATOM 575 CD GLU A 153 -3.394 -7.709 -8.469 1.00 0.00 C ATOM 576 OE1 GLU A 153 -2.321 -7.349 -7.939 1.00 0.00 O ATOM 577 OE2 GLU A 153 -3.525 -8.791 -9.081 1.00 0.00 O ATOM 0 H GLU A 153 -5.109 -4.560 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.205 -6.137 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -4.712 -6.860 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -5.742 -8.021 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.251 -6.959 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.259 -5.754 -8.421 1.00 0.00 H new ATOM 584 N PHE A 154 -6.975 -5.886 -4.544 1.00 0.00 N ATOM 585 CA PHE A 154 -7.672 -6.146 -3.290 1.00 0.00 C ATOM 586 C PHE A 154 -8.963 -5.337 -3.214 1.00 0.00 C ATOM 587 O PHE A 154 -9.962 -5.791 -2.657 1.00 0.00 O ATOM 588 CB PHE A 154 -6.772 -5.810 -2.097 1.00 0.00 C ATOM 589 CG PHE A 154 -7.456 -5.949 -0.765 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.660 -7.200 -0.203 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.896 -4.830 -0.074 1.00 0.00 C ATOM 592 CE1 PHE A 154 -8.288 -7.331 1.021 1.00 0.00 C ATOM 593 CE2 PHE A 154 -8.525 -4.956 1.150 1.00 0.00 C ATOM 594 CZ PHE A 154 -8.723 -6.208 1.698 1.00 0.00 C ATOM 0 H PHE A 154 -6.161 -5.278 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 154 -7.923 -7.206 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.899 -6.462 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.409 -4.788 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.324 -8.082 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -7.745 -3.848 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -8.439 -8.311 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -8.862 -4.076 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 154 -9.217 -6.309 2.653 1.00 0.00 H new ATOM 604 N LYS A 155 -8.933 -4.135 -3.781 1.00 0.00 N ATOM 605 CA LYS A 155 -10.096 -3.257 -3.782 1.00 0.00 C ATOM 606 C LYS A 155 -11.198 -3.816 -4.677 1.00 0.00 C ATOM 607 O LYS A 155 -12.380 -3.537 -4.471 1.00 0.00 O ATOM 608 CB LYS A 155 -9.702 -1.855 -4.254 1.00 0.00 C ATOM 609 CG LYS A 155 -10.831 -0.840 -4.174 1.00 0.00 C ATOM 610 CD LYS A 155 -11.238 -0.566 -2.738 1.00 0.00 C ATOM 611 CE LYS A 155 -12.213 0.597 -2.645 1.00 0.00 C ATOM 612 NZ LYS A 155 -13.477 0.323 -3.381 1.00 0.00 N ATOM 0 H LYS A 155 -8.113 -3.747 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.476 -3.196 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -8.865 -1.501 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -9.351 -1.914 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -10.518 0.091 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -11.692 -1.208 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -11.695 -1.459 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -10.351 -0.347 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -12.439 0.798 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -11.746 1.495 -3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -14.153 1.095 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -13.278 0.257 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -13.884 -0.574 -3.049 1.00 0.00 H new ATOM 626 N SER A 156 -10.803 -4.607 -5.670 1.00 0.00 N ATOM 627 CA SER A 156 -11.757 -5.203 -6.599 1.00 0.00 C ATOM 628 C SER A 156 -12.335 -6.496 -6.033 1.00 0.00 C ATOM 629 O SER A 156 -12.979 -7.263 -6.749 1.00 0.00 O ATOM 630 CB SER A 156 -11.086 -5.477 -7.947 1.00 0.00 C ATOM 631 OG SER A 156 -10.010 -6.387 -7.806 1.00 0.00 O ATOM 0 H SER A 156 -9.829 -4.850 -5.852 1.00 0.00 H new ATOM 0 HA SER A 156 -12.573 -4.496 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 156 -11.819 -5.881 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 156 -10.722 -4.542 -8.372 1.00 0.00 H new ATOM 0 HG SER A 156 -9.783 -6.481 -6.857 1.00 0.00 H new ATOM 637 N GLN A 157 -12.099 -6.729 -4.744 1.00 0.00 N ATOM 638 CA GLN A 157 -12.597 -7.927 -4.072 1.00 0.00 C ATOM 639 C GLN A 157 -12.076 -9.197 -4.741 1.00 0.00 C ATOM 640 O GLN A 157 -12.653 -10.273 -4.582 1.00 0.00 O ATOM 641 CB GLN A 157 -14.126 -7.933 -4.064 1.00 0.00 C ATOM 642 CG GLN A 157 -14.737 -6.707 -3.405 1.00 0.00 C ATOM 643 CD GLN A 157 -14.328 -6.561 -1.952 1.00 0.00 C ATOM 644 OE1 GLN A 157 -13.320 -5.926 -1.640 1.00 0.00 O ATOM 645 NE2 GLN A 157 -15.109 -7.151 -1.055 1.00 0.00 N ATOM 0 H GLN A 157 -11.565 -6.102 -4.142 1.00 0.00 H new ATOM 0 HA GLN A 157 -12.231 -7.909 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.486 -8.000 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.475 -8.826 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.436 -5.815 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.823 -6.768 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.935 -7.667 -1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.883 -7.088 -0.062 1.00 0.00 H new ATOM 654 N SER A 158 -10.981 -9.067 -5.484 1.00 0.00 N ATOM 655 CA SER A 158 -10.387 -10.206 -6.176 1.00 0.00 C ATOM 656 C SER A 158 -9.621 -11.096 -5.202 1.00 0.00 C ATOM 657 O SER A 158 -9.951 -12.270 -5.031 1.00 0.00 O ATOM 658 CB SER A 158 -9.456 -9.726 -7.289 1.00 0.00 C ATOM 659 OG SER A 158 -8.884 -10.820 -7.984 1.00 0.00 O ATOM 0 H SER A 158 -10.487 -8.185 -5.622 1.00 0.00 H new ATOM 0 HA SER A 158 -11.194 -10.792 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 158 -10.011 -9.099 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.665 -9.108 -6.864 1.00 0.00 H new ATOM 0 HG SER A 158 -8.294 -10.486 -8.692 1.00 0.00 H new ATOM 665 N ILE A 159 -8.596 -10.533 -4.571 1.00 0.00 N ATOM 666 CA ILE A 159 -7.787 -11.277 -3.614 1.00 0.00 C ATOM 667 C ILE A 159 -8.308 -11.090 -2.193 1.00 0.00 C ATOM 668 O ILE A 159 -9.126 -10.207 -1.933 1.00 0.00 O ATOM 669 CB ILE A 159 -6.308 -10.847 -3.670 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.174 -9.350 -3.381 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.713 -11.185 -5.030 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.754 -8.915 -3.085 1.00 0.00 C ATOM 0 H ILE A 159 -8.306 -9.564 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.859 -12.329 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.757 -11.393 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.546 -8.788 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.808 -9.094 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.668 -10.876 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.778 -12.260 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.266 -10.661 -5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.735 -7.843 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -4.385 -9.450 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.119 -9.139 -3.942 1.00 0.00 H new ATOM 684 N ASP A 160 -7.829 -11.925 -1.275 1.00 0.00 N ATOM 685 CA ASP A 160 -8.250 -11.850 0.120 1.00 0.00 C ATOM 686 C ASP A 160 -7.330 -10.921 0.911 1.00 0.00 C ATOM 687 O ASP A 160 -6.460 -10.265 0.339 1.00 0.00 O ATOM 688 CB ASP A 160 -8.259 -13.250 0.743 1.00 0.00 C ATOM 689 CG ASP A 160 -9.224 -13.361 1.908 1.00 0.00 C ATOM 690 OD1 ASP A 160 -10.416 -13.038 1.723 1.00 0.00 O ATOM 691 OD2 ASP A 160 -8.790 -13.779 3.001 1.00 0.00 O ATOM 0 H ASP A 160 -7.150 -12.660 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.260 -11.442 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -8.529 -13.981 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -7.254 -13.499 1.083 1.00 0.00 H new ATOM 696 N THR A 161 -7.527 -10.866 2.226 1.00 0.00 N ATOM 697 CA THR A 161 -6.715 -10.007 3.083 1.00 0.00 C ATOM 698 C THR A 161 -5.265 -10.504 3.185 1.00 0.00 C ATOM 699 O THR A 161 -4.331 -9.729 2.980 1.00 0.00 O ATOM 700 CB THR A 161 -7.315 -9.883 4.500 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.666 -9.412 4.420 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.495 -8.929 5.356 1.00 0.00 C ATOM 0 H THR A 161 -8.239 -11.404 2.720 1.00 0.00 H new ATOM 0 HA THR A 161 -6.714 -9.023 2.613 1.00 0.00 H new ATOM 0 HB THR A 161 -7.298 -10.869 4.963 1.00 0.00 H new ATOM 0 HG1 THR A 161 -9.040 -9.338 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.938 -8.859 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.474 -9.301 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.484 -7.942 4.893 1.00 0.00 H new ATOM 710 N PRO A 162 -5.046 -11.800 3.500 1.00 0.00 N ATOM 711 CA PRO A 162 -3.690 -12.353 3.615 1.00 0.00 C ATOM 712 C PRO A 162 -2.894 -12.199 2.324 1.00 0.00 C ATOM 713 O PRO A 162 -1.664 -12.149 2.343 1.00 0.00 O ATOM 714 CB PRO A 162 -3.923 -13.837 3.923 1.00 0.00 C ATOM 715 CG PRO A 162 -5.309 -13.908 4.461 1.00 0.00 C ATOM 716 CD PRO A 162 -6.076 -12.821 3.766 1.00 0.00 C ATOM 0 HA PRO A 162 -3.108 -11.837 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.816 -14.447 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.199 -14.208 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.753 -14.884 4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.317 -13.762 5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.536 -13.178 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.878 -12.430 4.392 1.00 0.00 H new ATOM 724 N GLY A 163 -3.605 -12.118 1.204 1.00 0.00 N ATOM 725 CA GLY A 163 -2.953 -11.974 -0.083 1.00 0.00 C ATOM 726 C GLY A 163 -2.321 -10.608 -0.270 1.00 0.00 C ATOM 727 O GLY A 163 -1.156 -10.506 -0.654 1.00 0.00 O ATOM 0 H GLY A 163 -4.624 -12.150 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.186 -12.742 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.681 -12.144 -0.876 1.00 0.00 H new ATOM 731 N VAL A 164 -3.090 -9.557 0.001 1.00 0.00 N ATOM 732 CA VAL A 164 -2.592 -8.195 -0.147 1.00 0.00 C ATOM 733 C VAL A 164 -1.508 -7.888 0.884 1.00 0.00 C ATOM 734 O VAL A 164 -0.533 -7.203 0.582 1.00 0.00 O ATOM 735 CB VAL A 164 -3.729 -7.156 -0.023 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.402 -7.247 1.338 1.00 0.00 C ATOM 737 CG2 VAL A 164 -3.202 -5.751 -0.273 1.00 0.00 C ATOM 0 H VAL A 164 -4.056 -9.623 0.323 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.163 -8.124 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.477 -7.380 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -5.199 -6.506 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.823 -8.244 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.667 -7.057 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -4.018 -5.035 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.429 -5.517 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.780 -5.694 -1.277 1.00 0.00 H new ATOM 747 N ILE A 165 -1.680 -8.404 2.098 1.00 0.00 N ATOM 748 CA ILE A 165 -0.706 -8.180 3.161 1.00 0.00 C ATOM 749 C ILE A 165 0.622 -8.861 2.840 1.00 0.00 C ATOM 750 O ILE A 165 1.690 -8.280 3.039 1.00 0.00 O ATOM 751 CB ILE A 165 -1.221 -8.687 4.524 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.510 -7.956 4.911 1.00 0.00 C ATOM 753 CG2 ILE A 165 -0.153 -8.497 5.594 1.00 0.00 C ATOM 754 CD1 ILE A 165 -3.133 -8.460 6.197 1.00 0.00 C ATOM 0 H ILE A 165 -2.480 -8.977 2.369 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.553 -7.103 3.225 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.442 -9.751 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -2.297 -6.892 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -3.233 -8.060 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.529 -8.859 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 165 0.741 -9.058 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.094 -7.439 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -4.042 -7.896 6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.378 -9.517 6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.428 -8.331 7.018 1.00 0.00 H new ATOM 766 N SER A 166 0.550 -10.092 2.343 1.00 0.00 N ATOM 767 CA SER A 166 1.751 -10.847 1.996 1.00 0.00 C ATOM 768 C SER A 166 2.512 -10.177 0.855 1.00 0.00 C ATOM 769 O SER A 166 3.731 -10.016 0.921 1.00 0.00 O ATOM 770 CB SER A 166 1.385 -12.281 1.606 1.00 0.00 C ATOM 771 OG SER A 166 0.822 -12.981 2.703 1.00 0.00 O ATOM 0 H SER A 166 -0.325 -10.588 2.172 1.00 0.00 H new ATOM 0 HA SER A 166 2.397 -10.869 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.676 -12.266 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 166 2.275 -12.804 1.255 1.00 0.00 H new ATOM 0 HG SER A 166 -0.155 -12.983 2.623 1.00 0.00 H new ATOM 777 N ARG A 167 1.785 -9.786 -0.188 1.00 0.00 N ATOM 778 CA ARG A 167 2.396 -9.135 -1.344 1.00 0.00 C ATOM 779 C ARG A 167 3.098 -7.839 -0.943 1.00 0.00 C ATOM 780 O ARG A 167 4.219 -7.572 -1.379 1.00 0.00 O ATOM 781 CB ARG A 167 1.342 -8.854 -2.415 1.00 0.00 C ATOM 782 CG ARG A 167 0.922 -10.094 -3.189 1.00 0.00 C ATOM 783 CD ARG A 167 -0.198 -9.790 -4.169 1.00 0.00 C ATOM 784 NE ARG A 167 -0.414 -10.888 -5.106 1.00 0.00 N ATOM 785 CZ ARG A 167 -1.538 -11.596 -5.170 1.00 0.00 C ATOM 786 NH1 ARG A 167 -2.547 -11.324 -4.354 1.00 0.00 N ATOM 787 NH2 ARG A 167 -1.653 -12.579 -6.053 1.00 0.00 N ATOM 0 H ARG A 167 0.775 -9.908 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 167 3.145 -9.813 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.463 -8.414 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.733 -8.114 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 167 1.780 -10.494 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 167 0.596 -10.866 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -1.119 -9.596 -3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.040 -8.882 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 167 0.341 -11.126 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -2.463 -10.569 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -3.407 -11.870 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -0.879 -12.792 -6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.515 -13.122 -6.102 1.00 0.00 H new ATOM 801 N VAL A 168 2.436 -7.034 -0.117 1.00 0.00 N ATOM 802 CA VAL A 168 3.007 -5.771 0.338 1.00 0.00 C ATOM 803 C VAL A 168 4.245 -6.013 1.198 1.00 0.00 C ATOM 804 O VAL A 168 5.213 -5.254 1.136 1.00 0.00 O ATOM 805 CB VAL A 168 1.981 -4.941 1.138 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.643 -3.729 1.778 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.833 -4.509 0.240 1.00 0.00 C ATOM 0 H VAL A 168 1.506 -7.233 0.250 1.00 0.00 H new ATOM 0 HA VAL A 168 3.291 -5.209 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 168 1.582 -5.569 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 168 1.899 -3.160 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.430 -4.060 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.075 -3.098 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.118 -3.925 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.220 -3.902 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.337 -5.391 -0.166 1.00 0.00 H new ATOM 817 N SER A 169 4.208 -7.074 1.996 1.00 0.00 N ATOM 818 CA SER A 169 5.328 -7.414 2.866 1.00 0.00 C ATOM 819 C SER A 169 6.564 -7.771 2.045 1.00 0.00 C ATOM 820 O SER A 169 7.682 -7.387 2.390 1.00 0.00 O ATOM 821 CB SER A 169 4.952 -8.578 3.783 1.00 0.00 C ATOM 822 OG SER A 169 6.030 -8.928 4.634 1.00 0.00 O ATOM 0 H SER A 169 3.416 -7.713 2.059 1.00 0.00 H new ATOM 0 HA SER A 169 5.561 -6.542 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 169 4.084 -8.306 4.384 1.00 0.00 H new ATOM 0 HB3 SER A 169 4.665 -9.440 3.181 1.00 0.00 H new ATOM 0 HG SER A 169 5.763 -9.674 5.211 1.00 0.00 H new ATOM 828 N GLN A 170 6.355 -8.507 0.958 1.00 0.00 N ATOM 829 CA GLN A 170 7.450 -8.912 0.083 1.00 0.00 C ATOM 830 C GLN A 170 7.893 -7.752 -0.804 1.00 0.00 C ATOM 831 O GLN A 170 9.041 -7.696 -1.244 1.00 0.00 O ATOM 832 CB GLN A 170 7.030 -10.097 -0.789 1.00 0.00 C ATOM 833 CG GLN A 170 6.651 -11.338 0.003 1.00 0.00 C ATOM 834 CD GLN A 170 7.800 -11.872 0.835 1.00 0.00 C ATOM 835 OE1 GLN A 170 8.596 -12.686 0.367 1.00 0.00 O ATOM 836 NE2 GLN A 170 7.889 -11.419 2.081 1.00 0.00 N ATOM 0 H GLN A 170 5.436 -8.836 0.662 1.00 0.00 H new ATOM 0 HA GLN A 170 8.288 -9.212 0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.183 -9.799 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 170 7.847 -10.345 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 170 5.811 -11.104 0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 170 6.313 -12.114 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 170 7.207 -10.744 2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 170 8.639 -11.746 2.690 1.00 0.00 H new ATOM 845 N LEU A 171 6.972 -6.830 -1.063 1.00 0.00 N ATOM 846 CA LEU A 171 7.263 -5.670 -1.898 1.00 0.00 C ATOM 847 C LEU A 171 8.211 -4.710 -1.185 1.00 0.00 C ATOM 848 O LEU A 171 9.120 -4.149 -1.797 1.00 0.00 O ATOM 849 CB LEU A 171 5.966 -4.945 -2.267 1.00 0.00 C ATOM 850 CG LEU A 171 6.144 -3.670 -3.093 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.766 -3.987 -4.445 1.00 0.00 C ATOM 852 CD2 LEU A 171 4.810 -2.961 -3.272 1.00 0.00 C ATOM 0 H LEU A 171 6.017 -6.863 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 171 7.748 -6.021 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.330 -5.633 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.436 -4.693 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 171 6.819 -3.005 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.884 -3.066 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.742 -4.450 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 171 6.119 -4.673 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 171 4.955 -2.056 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.113 -3.622 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.405 -2.696 -2.295 1.00 0.00 H new ATOM 864 N PHE A 172 7.990 -4.529 0.114 1.00 0.00 N ATOM 865 CA PHE A 172 8.819 -3.637 0.915 1.00 0.00 C ATOM 866 C PHE A 172 9.781 -4.429 1.794 1.00 0.00 C ATOM 867 O PHE A 172 10.185 -3.966 2.860 1.00 0.00 O ATOM 868 CB PHE A 172 7.940 -2.737 1.784 1.00 0.00 C ATOM 869 CG PHE A 172 7.049 -1.824 0.992 1.00 0.00 C ATOM 870 CD1 PHE A 172 7.568 -0.703 0.364 1.00 0.00 C ATOM 871 CD2 PHE A 172 5.693 -2.084 0.878 1.00 0.00 C ATOM 872 CE1 PHE A 172 6.752 0.142 -0.364 1.00 0.00 C ATOM 873 CE2 PHE A 172 4.871 -1.243 0.151 1.00 0.00 C ATOM 874 CZ PHE A 172 5.402 -0.129 -0.471 1.00 0.00 C ATOM 0 H PHE A 172 7.243 -4.989 0.634 1.00 0.00 H new ATOM 0 HA PHE A 172 9.404 -3.017 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 172 7.324 -3.361 2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 172 8.578 -2.136 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 172 8.623 -0.487 0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 172 5.273 -2.953 1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.169 1.013 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 172 3.815 -1.456 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 172 4.762 0.529 -1.040 1.00 0.00 H new ATOM 884 N LYS A 173 10.144 -5.623 1.335 1.00 0.00 N ATOM 885 CA LYS A 173 11.060 -6.484 2.077 1.00 0.00 C ATOM 886 C LYS A 173 12.363 -5.753 2.392 1.00 0.00 C ATOM 887 O LYS A 173 13.197 -5.541 1.511 1.00 0.00 O ATOM 888 CB LYS A 173 11.351 -7.756 1.276 1.00 0.00 C ATOM 889 CG LYS A 173 12.327 -8.700 1.960 1.00 0.00 C ATOM 890 CD LYS A 173 12.703 -9.869 1.061 1.00 0.00 C ATOM 891 CE LYS A 173 11.527 -10.809 0.834 1.00 0.00 C ATOM 892 NZ LYS A 173 11.911 -11.985 0.004 1.00 0.00 N ATOM 0 H LYS A 173 9.818 -6.017 0.452 1.00 0.00 H new ATOM 0 HA LYS A 173 10.585 -6.756 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 173 10.414 -8.284 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 173 11.752 -7.477 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.227 -8.153 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 173 11.883 -9.077 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 173 13.056 -9.491 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 173 13.529 -10.422 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 173 11.145 -11.152 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 173 10.718 -10.267 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 11.084 -12.601 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 12.252 -11.659 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 12.666 -12.517 0.483 1.00 0.00 H new ATOM 906 N GLY A 174 12.530 -5.367 3.654 1.00 0.00 N ATOM 907 CA GLY A 174 13.732 -4.665 4.065 1.00 0.00 C ATOM 908 C GLY A 174 13.436 -3.472 4.955 1.00 0.00 C ATOM 909 O GLY A 174 14.289 -3.041 5.732 1.00 0.00 O ATOM 0 H GLY A 174 11.853 -5.528 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.388 -5.355 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.272 -4.328 3.180 1.00 0.00 H new ATOM 913 N HIS A 175 12.224 -2.937 4.840 1.00 0.00 N ATOM 914 CA HIS A 175 11.813 -1.787 5.640 1.00 0.00 C ATOM 915 C HIS A 175 10.662 -2.156 6.576 1.00 0.00 C ATOM 916 O HIS A 175 9.504 -2.189 6.158 1.00 0.00 O ATOM 917 CB HIS A 175 11.390 -0.631 4.729 1.00 0.00 C ATOM 918 CG HIS A 175 12.498 -0.113 3.865 1.00 0.00 C ATOM 919 ND1 HIS A 175 13.254 0.994 4.193 1.00 0.00 N ATOM 920 CD2 HIS A 175 12.976 -0.553 2.677 1.00 0.00 C ATOM 921 CE1 HIS A 175 14.148 1.211 3.245 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.001 0.287 2.315 1.00 0.00 N ATOM 0 H HIS A 175 11.508 -3.282 4.200 1.00 0.00 H new ATOM 0 HA HIS A 175 12.665 -1.475 6.244 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.569 -0.962 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 175 11.008 0.184 5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 175 12.618 -1.405 2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.876 2.009 3.233 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.558 0.209 1.464 1.00 0.00 H new ATOM 931 N PRO A 176 10.960 -2.446 7.858 1.00 0.00 N ATOM 932 CA PRO A 176 9.934 -2.813 8.842 1.00 0.00 C ATOM 933 C PRO A 176 8.938 -1.685 9.090 1.00 0.00 C ATOM 934 O PRO A 176 7.896 -1.891 9.710 1.00 0.00 O ATOM 935 CB PRO A 176 10.734 -3.106 10.119 1.00 0.00 C ATOM 936 CG PRO A 176 12.139 -3.310 9.665 1.00 0.00 C ATOM 937 CD PRO A 176 12.307 -2.442 8.453 1.00 0.00 C ATOM 0 HA PRO A 176 9.335 -3.657 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.665 -2.278 10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 176 10.353 -3.991 10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.847 -3.032 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 176 12.324 -4.357 9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 176 12.629 -1.435 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 176 13.053 -2.845 7.768 1.00 0.00 H new ATOM 945 N ASP A 177 9.267 -0.493 8.601 1.00 0.00 N ATOM 946 CA ASP A 177 8.402 0.668 8.772 1.00 0.00 C ATOM 947 C ASP A 177 7.217 0.618 7.811 1.00 0.00 C ATOM 948 O ASP A 177 6.066 0.734 8.229 1.00 0.00 O ATOM 949 CB ASP A 177 9.196 1.956 8.557 1.00 0.00 C ATOM 950 CG ASP A 177 10.343 2.099 9.539 1.00 0.00 C ATOM 951 OD1 ASP A 177 10.100 2.570 10.670 1.00 0.00 O ATOM 952 OD2 ASP A 177 11.482 1.741 9.176 1.00 0.00 O ATOM 0 H ASP A 177 10.126 -0.307 8.084 1.00 0.00 H new ATOM 0 HA ASP A 177 8.016 0.652 9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 177 9.588 1.973 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 177 8.528 2.812 8.655 1.00 0.00 H new ATOM 957 N LEU A 178 7.507 0.449 6.524 1.00 0.00 N ATOM 958 CA LEU A 178 6.463 0.385 5.506 1.00 0.00 C ATOM 959 C LEU A 178 5.512 -0.778 5.772 1.00 0.00 C ATOM 960 O LEU A 178 4.295 -0.638 5.651 1.00 0.00 O ATOM 961 CB LEU A 178 7.084 0.241 4.113 1.00 0.00 C ATOM 962 CG LEU A 178 7.657 1.528 3.504 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.562 2.565 3.310 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.773 2.090 4.373 1.00 0.00 C ATOM 0 H LEU A 178 8.456 0.354 6.162 1.00 0.00 H new ATOM 0 HA LEU A 178 5.894 1.314 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.881 -0.501 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 178 6.326 -0.153 3.436 1.00 0.00 H new ATOM 0 HG LEU A 178 8.075 1.281 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.990 3.469 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.799 2.168 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 178 6.111 2.802 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 178 9.163 3.002 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.383 2.316 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.574 1.355 4.457 1.00 0.00 H new ATOM 976 N ILE A 179 6.076 -1.925 6.136 1.00 0.00 N ATOM 977 CA ILE A 179 5.281 -3.114 6.418 1.00 0.00 C ATOM 978 C ILE A 179 4.344 -2.881 7.601 1.00 0.00 C ATOM 979 O ILE A 179 3.136 -3.098 7.501 1.00 0.00 O ATOM 980 CB ILE A 179 6.182 -4.328 6.718 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.230 -4.497 5.615 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.341 -5.590 6.854 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.289 -5.532 5.935 1.00 0.00 C ATOM 0 H ILE A 179 7.082 -2.056 6.243 1.00 0.00 H new ATOM 0 HA ILE A 179 4.688 -3.321 5.527 1.00 0.00 H new ATOM 0 HB ILE A 179 6.699 -4.155 7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.728 -4.778 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.715 -3.537 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 179 5.991 -6.439 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.628 -5.466 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.801 -5.769 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.996 -5.596 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.818 -5.243 6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.816 -6.503 6.084 1.00 0.00 H new ATOM 995 N MET A 180 4.912 -2.437 8.718 1.00 0.00 N ATOM 996 CA MET A 180 4.130 -2.170 9.922 1.00 0.00 C ATOM 997 C MET A 180 3.125 -1.050 9.677 1.00 0.00 C ATOM 998 O MET A 180 2.099 -0.963 10.353 1.00 0.00 O ATOM 999 CB MET A 180 5.058 -1.800 11.081 1.00 0.00 C ATOM 1000 CG MET A 180 4.332 -1.565 12.397 1.00 0.00 C ATOM 1001 SD MET A 180 3.397 -3.006 12.943 1.00 0.00 S ATOM 1002 CE MET A 180 4.708 -4.209 13.145 1.00 0.00 C ATOM 0 H MET A 180 5.911 -2.254 8.815 1.00 0.00 H new ATOM 0 HA MET A 180 3.580 -3.074 10.182 1.00 0.00 H new ATOM 0 HB2 MET A 180 5.789 -2.597 11.217 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.613 -0.900 10.817 1.00 0.00 H new ATOM 0 HG2 MET A 180 5.058 -1.296 13.164 1.00 0.00 H new ATOM 0 HG3 MET A 180 3.655 -0.718 12.287 1.00 0.00 H new ATOM 0 HE1 MET A 180 4.355 -5.031 13.768 1.00 0.00 H new ATOM 0 HE2 MET A 180 5.002 -4.594 12.169 1.00 0.00 H new ATOM 0 HE3 MET A 180 5.566 -3.735 13.621 1.00 0.00 H new ATOM 1012 N GLY A 181 3.426 -0.195 8.706 1.00 0.00 N ATOM 1013 CA GLY A 181 2.543 0.911 8.384 1.00 0.00 C ATOM 1014 C GLY A 181 1.295 0.460 7.652 1.00 0.00 C ATOM 1015 O GLY A 181 0.188 0.892 7.974 1.00 0.00 O ATOM 0 H GLY A 181 4.269 -0.248 8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.257 1.423 9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.080 1.634 7.770 1.00 0.00 H new ATOM 1019 N PHE A 182 1.473 -0.412 6.665 1.00 0.00 N ATOM 1020 CA PHE A 182 0.353 -0.924 5.885 1.00 0.00 C ATOM 1021 C PHE A 182 -0.487 -1.891 6.715 1.00 0.00 C ATOM 1022 O PHE A 182 -1.698 -2.000 6.520 1.00 0.00 O ATOM 1023 CB PHE A 182 0.859 -1.620 4.620 1.00 0.00 C ATOM 1024 CG PHE A 182 -0.241 -2.158 3.748 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.920 -1.324 2.874 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.597 -3.496 3.803 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.932 -1.815 2.071 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.608 -3.993 3.005 1.00 0.00 C ATOM 1029 CZ PHE A 182 -2.277 -3.151 2.138 1.00 0.00 C ATOM 0 H PHE A 182 2.383 -0.779 6.386 1.00 0.00 H new ATOM 0 HA PHE A 182 -0.275 -0.081 5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.457 -0.915 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.519 -2.439 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -0.655 -0.278 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 182 -0.077 -4.159 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -2.452 -1.155 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.875 -5.038 3.058 1.00 0.00 H new ATOM 0 HZ PHE A 182 -3.069 -3.537 1.513 1.00 0.00 H new ATOM 1039 N ASN A 183 0.163 -2.593 7.639 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.525 -3.550 8.498 1.00 0.00 C ATOM 1041 C ASN A 183 -1.592 -2.857 9.341 1.00 0.00 C ATOM 1042 O ASN A 183 -2.623 -3.449 9.666 1.00 0.00 O ATOM 1043 CB ASN A 183 0.477 -4.260 9.410 1.00 0.00 C ATOM 1044 CG ASN A 183 -0.186 -5.292 10.302 1.00 0.00 C ATOM 1045 OD1 ASN A 183 -1.194 -5.892 9.932 1.00 0.00 O ATOM 1046 ND2 ASN A 183 0.382 -5.504 11.483 1.00 0.00 N ATOM 0 H ASN A 183 1.165 -2.517 7.812 1.00 0.00 H new ATOM 0 HA ASN A 183 -1.013 -4.287 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 183 1.239 -4.746 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 183 0.987 -3.522 10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -0.017 -6.188 12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 183 1.218 -4.983 11.748 1.00 0.00 H new ATOM 1053 N THR A 184 -1.338 -1.601 9.691 1.00 0.00 N ATOM 1054 CA THR A 184 -2.275 -0.822 10.494 1.00 0.00 C ATOM 1055 C THR A 184 -3.025 0.186 9.631 1.00 0.00 C ATOM 1056 O THR A 184 -3.880 0.924 10.120 1.00 0.00 O ATOM 1057 CB THR A 184 -1.550 -0.073 11.628 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.629 0.876 11.079 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.803 -1.048 12.527 1.00 0.00 C ATOM 0 H THR A 184 -0.489 -1.099 9.431 1.00 0.00 H new ATOM 0 HA THR A 184 -2.986 -1.525 10.929 1.00 0.00 H new ATOM 0 HB THR A 184 -2.298 0.450 12.224 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.174 1.349 11.807 1.00 0.00 H new ATOM 0 HG21 THR A 184 -0.298 -0.497 13.321 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.510 -1.752 12.966 1.00 0.00 H new ATOM 0 HG23 THR A 184 -0.065 -1.594 11.938 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.694 0.211 8.343 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.332 1.123 7.402 1.00 0.00 C ATOM 1069 C PHE A 185 -4.659 0.553 6.912 1.00 0.00 C ATOM 1070 O PHE A 185 -5.482 1.270 6.340 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.402 1.389 6.213 1.00 0.00 C ATOM 1072 CG PHE A 185 -2.935 2.402 5.241 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -2.885 3.756 5.534 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.485 2.002 4.034 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -3.374 4.691 4.643 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -3.976 2.933 3.139 1.00 0.00 C ATOM 1077 CZ PHE A 185 -3.920 4.279 3.442 1.00 0.00 C ATOM 0 H PHE A 185 -1.985 -0.393 7.927 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.531 2.063 7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.437 1.731 6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.225 0.452 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -2.458 4.084 6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.530 0.951 3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -3.330 5.743 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.404 2.608 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.302 5.008 2.742 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.862 -0.740 7.143 1.00 0.00 N ATOM 1088 CA LEU A 186 -6.088 -1.410 6.725 1.00 0.00 C ATOM 1089 C LEU A 186 -7.318 -0.705 7.298 1.00 0.00 C ATOM 1090 O LEU A 186 -7.259 -0.130 8.385 1.00 0.00 O ATOM 1091 CB LEU A 186 -6.071 -2.873 7.171 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.905 -3.705 6.631 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -4.909 -5.093 7.255 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -4.973 -3.802 5.114 1.00 0.00 C ATOM 0 H LEU A 186 -4.192 -1.345 7.618 1.00 0.00 H new ATOM 0 HA LEU A 186 -6.142 -1.369 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -6.045 -2.904 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -7.005 -3.342 6.861 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.974 -3.207 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -4.074 -5.672 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -4.811 -5.006 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -5.845 -5.597 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -4.136 -4.397 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -5.910 -4.276 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -4.922 -2.802 4.683 1.00 0.00 H new