USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 98 HIS : no HD1:sc= 0.482 K(o=1,f=-0.87) USER MOD Set 1.2: A 144 SER OG : rot -91:sc= 0.54 USER MOD Set 2.1: A 96 HIS : no HD1:sc= -4.16 K(o=-4.7,f=-3.8) USER MOD Set 2.2: A 124 SER OG : rot 150:sc= -0.523 USER MOD Single : A 105 SER OG : rot -178:sc= 1.31 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00622 USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -22:sc= 0.302! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= -0.658 USER MOD Single : A 138 LYS NZ :NH3+ -172:sc= -0.401 (180deg=-0.569) USER MOD Single : A 140 TYR OH : rot -30:sc= -0.924 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.651 K(o=-0.65,f=-2.8) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 MET CE :methyl -164:sc= -0.0417 (180deg=-0.376) USER MOD Single : A 161 GLN : amide:sc= 0.381 K(o=0.38,f=-5.4!) USER MOD Single : A 167 GLN : amide:sc= -3.96! C(o=-4!,f=-4!) USER MOD Single : A 170 THR OG1 : rot -169:sc= 1.16 USER MOD Single : A 171 ASN : amide:sc= -0.492 K(o=-0.49,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -3.359 18.687 0.089 1.00 0.00 N ATOM 179 CA HIS A 96 -2.399 17.647 -0.266 1.00 0.00 C ATOM 180 C HIS A 96 -2.854 16.889 -1.509 1.00 0.00 C ATOM 181 O HIS A 96 -4.016 16.971 -1.908 1.00 0.00 O ATOM 182 CB HIS A 96 -2.215 16.674 0.900 1.00 0.00 C ATOM 183 CG HIS A 96 -1.490 17.269 2.067 1.00 0.00 C ATOM 184 ND1 HIS A 96 -0.836 16.508 3.014 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.316 18.559 2.438 1.00 0.00 C ATOM 186 CE1 HIS A 96 -0.293 17.305 3.917 1.00 0.00 C ATOM 187 NE2 HIS A 96 -0.569 18.555 3.590 1.00 0.00 N ATOM 0 HA HIS A 96 -1.445 18.127 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.194 16.326 1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.667 15.799 0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.694 19.430 1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.279 16.988 4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.275 19.382 4.109 1.00 0.00 H new ATOM 196 N PHE A 97 -1.930 16.154 -2.119 1.00 0.00 N ATOM 197 CA PHE A 97 -2.236 15.383 -3.319 1.00 0.00 C ATOM 198 C PHE A 97 -2.139 13.886 -3.042 1.00 0.00 C ATOM 199 O PHE A 97 -1.183 13.418 -2.422 1.00 0.00 O ATOM 200 CB PHE A 97 -1.284 15.767 -4.453 1.00 0.00 C ATOM 201 CG PHE A 97 -1.433 17.191 -4.905 1.00 0.00 C ATOM 202 CD1 PHE A 97 -0.897 18.228 -4.158 1.00 0.00 C ATOM 203 CD2 PHE A 97 -2.107 17.494 -6.077 1.00 0.00 C ATOM 204 CE1 PHE A 97 -1.034 19.540 -4.571 1.00 0.00 C ATOM 205 CE2 PHE A 97 -2.246 18.804 -6.495 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.708 19.828 -5.742 1.00 0.00 C ATOM 0 H PHE A 97 -0.964 16.076 -1.802 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.258 15.613 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.257 15.604 -4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.457 15.105 -5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.366 18.009 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.529 16.697 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.614 20.340 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.775 19.026 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.814 20.852 -6.068 1.00 0.00 H new ATOM 216 N HIS A 98 -3.135 13.138 -3.507 1.00 0.00 N ATOM 217 CA HIS A 98 -3.163 11.693 -3.310 1.00 0.00 C ATOM 218 C HIS A 98 -2.494 10.973 -4.477 1.00 0.00 C ATOM 219 O HIS A 98 -2.823 11.214 -5.639 1.00 0.00 O ATOM 220 CB HIS A 98 -4.604 11.206 -3.153 1.00 0.00 C ATOM 221 CG HIS A 98 -5.452 12.107 -2.310 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.031 12.625 -1.103 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.704 12.583 -2.505 1.00 0.00 C ATOM 224 CE1 HIS A 98 -5.987 13.379 -0.592 1.00 0.00 C ATOM 225 NE2 HIS A 98 -7.014 13.371 -1.424 1.00 0.00 N ATOM 0 H HIS A 98 -3.933 13.509 -4.023 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.609 11.464 -2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.057 11.113 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.596 10.210 -2.711 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.341 12.381 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.938 13.912 0.346 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.893 13.869 -1.286 1.00 0.00 H new ATOM 234 N VAL A 99 -1.553 10.089 -4.160 1.00 0.00 N ATOM 235 CA VAL A 99 -0.838 9.334 -5.182 1.00 0.00 C ATOM 236 C VAL A 99 -1.207 7.856 -5.132 1.00 0.00 C ATOM 237 O VAL A 99 -1.274 7.258 -4.058 1.00 0.00 O ATOM 238 CB VAL A 99 0.687 9.477 -5.021 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.414 8.654 -6.074 1.00 0.00 C ATOM 240 CG2 VAL A 99 1.096 10.940 -5.101 1.00 0.00 C ATOM 0 H VAL A 99 -1.268 9.878 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.134 9.747 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 99 0.969 9.098 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.490 8.767 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.144 7.604 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.129 9.001 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.177 11.023 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.802 11.347 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.602 11.500 -4.307 1.00 0.00 H new ATOM 250 N PHE A 100 -1.447 7.271 -6.301 1.00 0.00 N ATOM 251 CA PHE A 100 -1.810 5.862 -6.391 1.00 0.00 C ATOM 252 C PHE A 100 -0.604 5.013 -6.784 1.00 0.00 C ATOM 253 O PHE A 100 0.194 5.405 -7.636 1.00 0.00 O ATOM 254 CB PHE A 100 -2.937 5.667 -7.407 1.00 0.00 C ATOM 255 CG PHE A 100 -3.202 4.227 -7.741 1.00 0.00 C ATOM 256 CD1 PHE A 100 -2.292 3.496 -8.486 1.00 0.00 C ATOM 257 CD2 PHE A 100 -4.362 3.604 -7.309 1.00 0.00 C ATOM 258 CE1 PHE A 100 -2.532 2.170 -8.795 1.00 0.00 C ATOM 259 CE2 PHE A 100 -4.607 2.279 -7.613 1.00 0.00 C ATOM 260 CZ PHE A 100 -3.692 1.561 -8.358 1.00 0.00 C ATOM 0 H PHE A 100 -1.397 7.751 -7.199 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.155 5.539 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.850 6.114 -7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.687 6.204 -8.322 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.383 3.968 -8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.083 4.161 -6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.814 1.611 -9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.514 1.805 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.883 0.526 -8.598 1.00 0.00 H new ATOM 270 N VAL A 101 -0.477 3.849 -6.156 1.00 0.00 N ATOM 271 CA VAL A 101 0.631 2.944 -6.439 1.00 0.00 C ATOM 272 C VAL A 101 0.133 1.522 -6.671 1.00 0.00 C ATOM 273 O VAL A 101 -0.400 0.884 -5.764 1.00 0.00 O ATOM 274 CB VAL A 101 1.657 2.936 -5.291 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.829 2.026 -5.627 1.00 0.00 C ATOM 276 CG2 VAL A 101 2.136 4.349 -4.996 1.00 0.00 C ATOM 0 H VAL A 101 -1.128 3.510 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 101 1.114 3.309 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 101 1.172 2.547 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.543 2.034 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.467 1.010 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.317 2.382 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.861 4.325 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.604 4.768 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.287 4.968 -4.708 1.00 0.00 H new ATOM 286 N GLY A 102 0.311 1.030 -7.893 1.00 0.00 N ATOM 287 CA GLY A 102 -0.125 -0.314 -8.223 1.00 0.00 C ATOM 288 C GLY A 102 1.033 -1.283 -8.357 1.00 0.00 C ATOM 289 O GLY A 102 2.195 -0.880 -8.320 1.00 0.00 O ATOM 0 H GLY A 102 0.750 1.539 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.806 -0.671 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.686 -0.292 -9.157 1.00 0.00 H new ATOM 293 N ASP A 103 0.716 -2.564 -8.512 1.00 0.00 N ATOM 294 CA ASP A 103 1.739 -3.594 -8.651 1.00 0.00 C ATOM 295 C ASP A 103 2.661 -3.611 -7.436 1.00 0.00 C ATOM 296 O ASP A 103 3.868 -3.820 -7.562 1.00 0.00 O ATOM 297 CB ASP A 103 2.556 -3.362 -9.923 1.00 0.00 C ATOM 298 CG ASP A 103 1.843 -3.856 -11.167 1.00 0.00 C ATOM 299 OD1 ASP A 103 0.934 -3.148 -11.650 1.00 0.00 O ATOM 300 OD2 ASP A 103 2.193 -4.949 -11.656 1.00 0.00 O ATOM 0 H ASP A 103 -0.242 -2.914 -8.545 1.00 0.00 H new ATOM 0 HA ASP A 103 1.240 -4.561 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.767 -2.298 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.516 -3.870 -9.832 1.00 0.00 H new ATOM 305 N LEU A 104 2.085 -3.390 -6.259 1.00 0.00 N ATOM 306 CA LEU A 104 2.855 -3.379 -5.020 1.00 0.00 C ATOM 307 C LEU A 104 3.298 -4.789 -4.642 1.00 0.00 C ATOM 308 O LEU A 104 2.516 -5.573 -4.106 1.00 0.00 O ATOM 309 CB LEU A 104 2.027 -2.771 -3.887 1.00 0.00 C ATOM 310 CG LEU A 104 1.949 -1.244 -3.857 1.00 0.00 C ATOM 311 CD1 LEU A 104 0.850 -0.785 -2.911 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.289 -0.650 -3.449 1.00 0.00 C ATOM 0 H LEU A 104 1.087 -3.216 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 104 3.744 -2.769 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.013 -3.165 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.441 -3.112 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 104 1.708 -0.891 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.809 0.304 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.108 -1.182 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.061 -1.148 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.215 0.437 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.559 -1.010 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.054 -0.951 -4.165 1.00 0.00 H new ATOM 324 N SER A 105 4.558 -5.103 -4.924 1.00 0.00 N ATOM 325 CA SER A 105 5.105 -6.419 -4.615 1.00 0.00 C ATOM 326 C SER A 105 4.541 -6.947 -3.300 1.00 0.00 C ATOM 327 O SER A 105 4.117 -6.188 -2.427 1.00 0.00 O ATOM 328 CB SER A 105 6.632 -6.355 -4.539 1.00 0.00 C ATOM 329 OG SER A 105 7.143 -5.343 -5.389 1.00 0.00 O ATOM 0 H SER A 105 5.219 -4.464 -5.366 1.00 0.00 H new ATOM 0 HA SER A 105 4.816 -7.102 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.940 -6.161 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.054 -7.319 -4.822 1.00 0.00 H new ATOM 0 HG SER A 105 8.122 -5.346 -5.349 1.00 0.00 H new ATOM 335 N PRO A 106 4.535 -8.280 -3.152 1.00 0.00 N ATOM 336 CA PRO A 106 4.026 -8.940 -1.946 1.00 0.00 C ATOM 337 C PRO A 106 4.926 -8.712 -0.737 1.00 0.00 C ATOM 338 O PRO A 106 4.536 -8.985 0.398 1.00 0.00 O ATOM 339 CB PRO A 106 4.013 -10.421 -2.332 1.00 0.00 C ATOM 340 CG PRO A 106 5.049 -10.545 -3.395 1.00 0.00 C ATOM 341 CD PRO A 106 5.024 -9.245 -4.150 1.00 0.00 C ATOM 0 HA PRO A 106 3.051 -8.554 -1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.246 -11.055 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.032 -10.726 -2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.033 -10.726 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.832 -11.384 -4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 106 6.014 -8.975 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.364 -9.296 -5.016 1.00 0.00 H new ATOM 349 N GLU A 107 6.131 -8.210 -0.988 1.00 0.00 N ATOM 350 CA GLU A 107 7.086 -7.946 0.082 1.00 0.00 C ATOM 351 C GLU A 107 6.920 -6.529 0.622 1.00 0.00 C ATOM 352 O GLU A 107 7.403 -6.207 1.708 1.00 0.00 O ATOM 353 CB GLU A 107 8.517 -8.148 -0.420 1.00 0.00 C ATOM 354 CG GLU A 107 8.669 -9.325 -1.370 1.00 0.00 C ATOM 355 CD GLU A 107 8.277 -10.643 -0.732 1.00 0.00 C ATOM 356 OE1 GLU A 107 8.443 -10.779 0.498 1.00 0.00 O ATOM 357 OE2 GLU A 107 7.804 -11.539 -1.462 1.00 0.00 O ATOM 0 H GLU A 107 6.469 -7.978 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 107 6.890 -8.650 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.848 -7.240 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.176 -8.295 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.053 -9.156 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.703 -9.383 -1.708 1.00 0.00 H new ATOM 364 N ILE A 108 6.235 -5.687 -0.144 1.00 0.00 N ATOM 365 CA ILE A 108 6.005 -4.304 0.257 1.00 0.00 C ATOM 366 C ILE A 108 5.094 -4.230 1.477 1.00 0.00 C ATOM 367 O ILE A 108 4.168 -5.029 1.624 1.00 0.00 O ATOM 368 CB ILE A 108 5.382 -3.483 -0.887 1.00 0.00 C ATOM 369 CG1 ILE A 108 6.085 -3.793 -2.209 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.461 -1.995 -0.575 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.593 -3.704 -2.128 1.00 0.00 C ATOM 0 H ILE A 108 5.829 -5.938 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 108 6.978 -3.882 0.508 1.00 0.00 H new ATOM 0 HB ILE A 108 4.332 -3.760 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.805 -4.795 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.729 -3.100 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.017 -1.428 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.919 -1.787 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.504 -1.703 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.024 -3.936 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.883 -2.695 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.960 -4.416 -1.389 1.00 0.00 H new ATOM 383 N THR A 109 5.360 -3.264 2.351 1.00 0.00 N ATOM 384 CA THR A 109 4.564 -3.084 3.558 1.00 0.00 C ATOM 385 C THR A 109 4.380 -1.606 3.881 1.00 0.00 C ATOM 386 O THR A 109 5.270 -0.791 3.636 1.00 0.00 O ATOM 387 CB THR A 109 5.211 -3.786 4.767 1.00 0.00 C ATOM 388 OG1 THR A 109 6.502 -3.223 5.027 1.00 0.00 O ATOM 389 CG2 THR A 109 5.344 -5.280 4.518 1.00 0.00 C ATOM 0 H THR A 109 6.122 -2.594 2.245 1.00 0.00 H new ATOM 0 HA THR A 109 3.590 -3.534 3.364 1.00 0.00 H new ATOM 0 HB THR A 109 4.568 -3.635 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.906 -3.673 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.803 -5.754 5.385 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.357 -5.710 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.967 -5.448 3.640 1.00 0.00 H new ATOM 397 N THR A 110 3.220 -1.265 4.433 1.00 0.00 N ATOM 398 CA THR A 110 2.919 0.116 4.789 1.00 0.00 C ATOM 399 C THR A 110 4.141 0.809 5.381 1.00 0.00 C ATOM 400 O THR A 110 4.377 1.991 5.132 1.00 0.00 O ATOM 401 CB THR A 110 1.758 0.196 5.797 1.00 0.00 C ATOM 402 OG1 THR A 110 0.612 -0.490 5.280 1.00 0.00 O ATOM 403 CG2 THR A 110 1.397 1.644 6.093 1.00 0.00 C ATOM 0 H THR A 110 2.473 -1.927 4.643 1.00 0.00 H new ATOM 0 HA THR A 110 2.627 0.623 3.870 1.00 0.00 H new ATOM 0 HB THR A 110 2.078 -0.279 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.121 -0.436 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.574 1.675 6.807 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.262 2.156 6.514 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.095 2.140 5.170 1.00 0.00 H new ATOM 411 N GLU A 111 4.914 0.066 6.167 1.00 0.00 N ATOM 412 CA GLU A 111 6.112 0.611 6.795 1.00 0.00 C ATOM 413 C GLU A 111 7.183 0.916 5.751 1.00 0.00 C ATOM 414 O GLU A 111 7.806 1.977 5.777 1.00 0.00 O ATOM 415 CB GLU A 111 6.661 -0.368 7.834 1.00 0.00 C ATOM 416 CG GLU A 111 7.901 0.137 8.552 1.00 0.00 C ATOM 417 CD GLU A 111 8.649 -0.967 9.273 1.00 0.00 C ATOM 418 OE1 GLU A 111 8.019 -1.676 10.086 1.00 0.00 O ATOM 419 OE2 GLU A 111 9.862 -1.123 9.024 1.00 0.00 O ATOM 0 H GLU A 111 4.732 -0.914 6.384 1.00 0.00 H new ATOM 0 HA GLU A 111 5.839 1.541 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.885 -0.576 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.895 -1.312 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.567 0.610 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.613 0.904 9.270 1.00 0.00 H new ATOM 426 N ASP A 112 7.391 -0.023 4.835 1.00 0.00 N ATOM 427 CA ASP A 112 8.386 0.144 3.782 1.00 0.00 C ATOM 428 C ASP A 112 8.014 1.301 2.861 1.00 0.00 C ATOM 429 O ASP A 112 8.831 2.183 2.594 1.00 0.00 O ATOM 430 CB ASP A 112 8.523 -1.146 2.971 1.00 0.00 C ATOM 431 CG ASP A 112 9.379 -2.182 3.672 1.00 0.00 C ATOM 432 OD1 ASP A 112 10.149 -1.801 4.578 1.00 0.00 O ATOM 433 OD2 ASP A 112 9.280 -3.375 3.314 1.00 0.00 O ATOM 0 H ASP A 112 6.884 -0.907 4.800 1.00 0.00 H new ATOM 0 HA ASP A 112 9.342 0.371 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.533 -1.562 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.959 -0.916 1.999 1.00 0.00 H new ATOM 438 N ILE A 113 6.776 1.291 2.377 1.00 0.00 N ATOM 439 CA ILE A 113 6.296 2.340 1.486 1.00 0.00 C ATOM 440 C ILE A 113 6.510 3.721 2.096 1.00 0.00 C ATOM 441 O ILE A 113 6.977 4.642 1.427 1.00 0.00 O ATOM 442 CB ILE A 113 4.801 2.161 1.160 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.561 0.805 0.494 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.316 3.291 0.264 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.183 0.666 -0.113 1.00 0.00 C ATOM 0 H ILE A 113 6.088 0.568 2.587 1.00 0.00 H new ATOM 0 HA ILE A 113 6.873 2.260 0.565 1.00 0.00 H new ATOM 0 HB ILE A 113 4.234 2.193 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.309 0.654 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.705 0.016 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.258 3.151 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.457 4.245 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.885 3.288 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.083 -0.320 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.429 0.785 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.042 1.433 -0.875 1.00 0.00 H new ATOM 457 N LYS A 114 6.167 3.857 3.373 1.00 0.00 N ATOM 458 CA LYS A 114 6.323 5.124 4.077 1.00 0.00 C ATOM 459 C LYS A 114 7.789 5.546 4.117 1.00 0.00 C ATOM 460 O LYS A 114 8.105 6.733 4.037 1.00 0.00 O ATOM 461 CB LYS A 114 5.775 5.011 5.501 1.00 0.00 C ATOM 462 CG LYS A 114 4.265 5.155 5.585 1.00 0.00 C ATOM 463 CD LYS A 114 3.808 5.416 7.010 1.00 0.00 C ATOM 464 CE LYS A 114 3.776 6.904 7.322 1.00 0.00 C ATOM 465 NZ LYS A 114 3.911 7.169 8.781 1.00 0.00 N ATOM 0 H LYS A 114 5.779 3.104 3.941 1.00 0.00 H new ATOM 0 HA LYS A 114 5.758 5.884 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.063 4.045 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.240 5.777 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.940 5.973 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.791 4.248 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.815 4.991 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.478 4.912 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.582 7.405 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.840 7.331 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.884 8.195 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.127 6.713 9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.816 6.785 9.121 1.00 0.00 H new ATOM 479 N SER A 115 8.679 4.567 4.240 1.00 0.00 N ATOM 480 CA SER A 115 10.111 4.838 4.293 1.00 0.00 C ATOM 481 C SER A 115 10.725 4.790 2.897 1.00 0.00 C ATOM 482 O SER A 115 11.855 5.229 2.689 1.00 0.00 O ATOM 483 CB SER A 115 10.809 3.828 5.205 1.00 0.00 C ATOM 484 OG SER A 115 12.217 3.980 5.151 1.00 0.00 O ATOM 0 H SER A 115 8.434 3.579 4.305 1.00 0.00 H new ATOM 0 HA SER A 115 10.252 5.840 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.465 3.961 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.538 2.815 4.906 1.00 0.00 H new ATOM 0 HG SER A 115 12.465 4.433 4.318 1.00 0.00 H new ATOM 490 N ALA A 116 9.970 4.253 1.944 1.00 0.00 N ATOM 491 CA ALA A 116 10.438 4.148 0.567 1.00 0.00 C ATOM 492 C ALA A 116 9.943 5.322 -0.271 1.00 0.00 C ATOM 493 O ALA A 116 10.474 5.596 -1.348 1.00 0.00 O ATOM 494 CB ALA A 116 9.985 2.831 -0.045 1.00 0.00 C ATOM 0 H ALA A 116 9.032 3.884 2.100 1.00 0.00 H new ATOM 0 HA ALA A 116 11.528 4.176 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.341 2.766 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.392 2.002 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.896 2.780 -0.034 1.00 0.00 H new ATOM 500 N PHE A 117 8.924 6.012 0.229 1.00 0.00 N ATOM 501 CA PHE A 117 8.356 7.156 -0.476 1.00 0.00 C ATOM 502 C PHE A 117 8.716 8.461 0.228 1.00 0.00 C ATOM 503 O PHE A 117 8.507 9.547 -0.312 1.00 0.00 O ATOM 504 CB PHE A 117 6.835 7.018 -0.574 1.00 0.00 C ATOM 505 CG PHE A 117 6.384 6.142 -1.707 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.523 4.766 -1.634 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.822 6.696 -2.846 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.109 3.957 -2.676 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.405 5.892 -3.890 1.00 0.00 C ATOM 510 CZ PHE A 117 5.550 4.521 -3.805 1.00 0.00 C ATOM 0 H PHE A 117 8.474 5.800 1.119 1.00 0.00 H new ATOM 0 HA PHE A 117 8.777 7.178 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.454 6.611 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.395 8.008 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 117 6.960 4.320 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.709 7.768 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.223 2.885 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.966 6.335 -4.772 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.227 3.891 -4.621 1.00 0.00 H new ATOM 520 N ALA A 118 9.258 8.345 1.436 1.00 0.00 N ATOM 521 CA ALA A 118 9.648 9.515 2.213 1.00 0.00 C ATOM 522 C ALA A 118 10.678 10.353 1.464 1.00 0.00 C ATOM 523 O ALA A 118 10.588 11.579 1.400 1.00 0.00 O ATOM 524 CB ALA A 118 10.196 9.089 3.568 1.00 0.00 C ATOM 0 H ALA A 118 9.437 7.453 1.897 1.00 0.00 H new ATOM 0 HA ALA A 118 8.762 10.130 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.484 9.972 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.430 8.538 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.068 8.451 3.424 1.00 0.00 H new ATOM 530 N PRO A 119 11.681 9.679 0.882 1.00 0.00 N ATOM 531 CA PRO A 119 12.748 10.343 0.127 1.00 0.00 C ATOM 532 C PRO A 119 12.205 11.356 -0.875 1.00 0.00 C ATOM 533 O PRO A 119 12.939 12.213 -1.366 1.00 0.00 O ATOM 534 CB PRO A 119 13.438 9.187 -0.602 1.00 0.00 C ATOM 535 CG PRO A 119 13.171 7.991 0.245 1.00 0.00 C ATOM 536 CD PRO A 119 11.851 8.217 0.917 1.00 0.00 C ATOM 0 HA PRO A 119 13.413 10.914 0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.037 9.058 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.508 9.367 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.145 7.086 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 119 13.962 7.857 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.043 7.708 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 119 11.854 7.840 1.940 1.00 0.00 H new ATOM 544 N PHE A 120 10.914 11.253 -1.173 1.00 0.00 N ATOM 545 CA PHE A 120 10.272 12.161 -2.117 1.00 0.00 C ATOM 546 C PHE A 120 9.623 13.333 -1.388 1.00 0.00 C ATOM 547 O PHE A 120 9.704 14.477 -1.833 1.00 0.00 O ATOM 548 CB PHE A 120 9.222 11.414 -2.942 1.00 0.00 C ATOM 549 CG PHE A 120 9.745 10.161 -3.585 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.736 10.225 -4.551 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.246 8.920 -3.224 1.00 0.00 C ATOM 552 CE1 PHE A 120 11.218 9.074 -5.145 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.724 7.766 -3.814 1.00 0.00 C ATOM 554 CZ PHE A 120 10.713 7.843 -4.776 1.00 0.00 C ATOM 0 H PHE A 120 10.292 10.550 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 120 11.039 12.552 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.380 11.158 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.840 12.079 -3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 120 11.136 11.185 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.474 8.854 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.990 9.137 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.325 6.805 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.090 6.943 -5.238 1.00 0.00 H new ATOM 564 N GLY A 121 8.977 13.039 -0.263 1.00 0.00 N ATOM 565 CA GLY A 121 8.322 14.078 0.510 1.00 0.00 C ATOM 566 C GLY A 121 7.534 13.522 1.679 1.00 0.00 C ATOM 567 O GLY A 121 6.998 12.415 1.606 1.00 0.00 O ATOM 0 H GLY A 121 8.896 12.100 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.071 14.777 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.653 14.642 -0.139 1.00 0.00 H new ATOM 571 N LYS A 122 7.463 14.289 2.761 1.00 0.00 N ATOM 572 CA LYS A 122 6.735 13.867 3.952 1.00 0.00 C ATOM 573 C LYS A 122 5.391 13.251 3.578 1.00 0.00 C ATOM 574 O LYS A 122 4.598 13.858 2.859 1.00 0.00 O ATOM 575 CB LYS A 122 6.519 15.056 4.891 1.00 0.00 C ATOM 576 CG LYS A 122 6.457 14.669 6.358 1.00 0.00 C ATOM 577 CD LYS A 122 5.288 13.741 6.642 1.00 0.00 C ATOM 578 CE LYS A 122 4.876 13.795 8.105 1.00 0.00 C ATOM 579 NZ LYS A 122 5.628 12.808 8.929 1.00 0.00 N ATOM 0 H LYS A 122 7.901 15.207 2.838 1.00 0.00 H new ATOM 0 HA LYS A 122 7.332 13.112 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.327 15.773 4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.592 15.561 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.388 14.181 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.366 15.567 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.441 14.018 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.560 12.719 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.048 14.799 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.807 13.599 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.319 12.876 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.445 11.848 8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.646 13.010 8.870 1.00 0.00 H new ATOM 593 N ILE A 123 5.141 12.043 4.072 1.00 0.00 N ATOM 594 CA ILE A 123 3.892 11.346 3.792 1.00 0.00 C ATOM 595 C ILE A 123 2.845 11.644 4.859 1.00 0.00 C ATOM 596 O ILE A 123 3.134 11.607 6.055 1.00 0.00 O ATOM 597 CB ILE A 123 4.103 9.823 3.707 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.053 9.481 2.557 1.00 0.00 C ATOM 599 CG2 ILE A 123 2.770 9.112 3.528 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.678 8.109 2.678 1.00 0.00 C ATOM 0 H ILE A 123 5.787 11.527 4.668 1.00 0.00 H new ATOM 0 HA ILE A 123 3.538 11.709 2.827 1.00 0.00 H new ATOM 0 HB ILE A 123 4.553 9.481 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.507 9.541 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.844 10.230 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.936 8.036 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.123 9.334 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.295 9.456 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.339 7.934 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.252 8.051 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.894 7.352 2.689 1.00 0.00 H new ATOM 612 N SER A 124 1.625 11.938 4.419 1.00 0.00 N ATOM 613 CA SER A 124 0.534 12.244 5.337 1.00 0.00 C ATOM 614 C SER A 124 -0.373 11.032 5.526 1.00 0.00 C ATOM 615 O SER A 124 -0.787 10.722 6.643 1.00 0.00 O ATOM 616 CB SER A 124 -0.281 13.429 4.815 1.00 0.00 C ATOM 617 OG SER A 124 -0.868 13.131 3.561 1.00 0.00 O ATOM 0 H SER A 124 1.368 11.971 3.433 1.00 0.00 H new ATOM 0 HA SER A 124 0.966 12.506 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 124 -1.060 13.683 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.363 14.304 4.720 1.00 0.00 H new ATOM 0 HG SER A 124 -1.708 13.627 3.467 1.00 0.00 H new ATOM 623 N ASP A 125 -0.677 10.351 4.427 1.00 0.00 N ATOM 624 CA ASP A 125 -1.534 9.172 4.470 1.00 0.00 C ATOM 625 C ASP A 125 -1.093 8.142 3.435 1.00 0.00 C ATOM 626 O ASP A 125 -1.292 8.328 2.235 1.00 0.00 O ATOM 627 CB ASP A 125 -2.992 9.566 4.227 1.00 0.00 C ATOM 628 CG ASP A 125 -3.936 8.385 4.335 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.521 7.260 3.988 1.00 0.00 O ATOM 630 OD2 ASP A 125 -5.091 8.586 4.767 1.00 0.00 O ATOM 0 H ASP A 125 -0.343 10.595 3.495 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.447 8.725 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -3.284 10.328 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -3.085 10.012 3.237 1.00 0.00 H new ATOM 635 N ALA A 126 -0.493 7.055 3.909 1.00 0.00 N ATOM 636 CA ALA A 126 -0.024 5.994 3.025 1.00 0.00 C ATOM 637 C ALA A 126 -0.355 4.619 3.595 1.00 0.00 C ATOM 638 O ALA A 126 -0.165 4.367 4.785 1.00 0.00 O ATOM 639 CB ALA A 126 1.473 6.125 2.792 1.00 0.00 C ATOM 0 H ALA A 126 -0.320 6.886 4.900 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.539 6.096 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.809 5.327 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.687 7.090 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.997 6.052 3.745 1.00 0.00 H new ATOM 645 N ARG A 127 -0.852 3.733 2.738 1.00 0.00 N ATOM 646 CA ARG A 127 -1.211 2.383 3.157 1.00 0.00 C ATOM 647 C ARG A 127 -1.221 1.429 1.966 1.00 0.00 C ATOM 648 O ARG A 127 -1.203 1.858 0.813 1.00 0.00 O ATOM 649 CB ARG A 127 -2.583 2.385 3.834 1.00 0.00 C ATOM 650 CG ARG A 127 -3.745 2.433 2.856 1.00 0.00 C ATOM 651 CD ARG A 127 -5.052 2.038 3.524 1.00 0.00 C ATOM 652 NE ARG A 127 -5.153 0.593 3.717 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.016 0.022 4.550 1.00 0.00 C ATOM 654 NH1 ARG A 127 -6.848 0.768 5.263 1.00 0.00 N ATOM 655 NH2 ARG A 127 -6.048 -1.299 4.671 1.00 0.00 N ATOM 0 H ARG A 127 -1.015 3.925 1.750 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.462 2.039 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.675 1.491 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.647 3.243 4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.835 3.439 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.546 1.763 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.132 2.539 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.889 2.382 2.916 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.527 -0.010 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -6.827 1.784 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.509 0.326 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.410 -1.877 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -6.711 -1.737 5.311 1.00 0.00 H new ATOM 669 N VAL A 128 -1.248 0.131 2.255 1.00 0.00 N ATOM 670 CA VAL A 128 -1.261 -0.884 1.209 1.00 0.00 C ATOM 671 C VAL A 128 -2.471 -1.800 1.347 1.00 0.00 C ATOM 672 O VAL A 128 -2.476 -2.722 2.163 1.00 0.00 O ATOM 673 CB VAL A 128 0.021 -1.737 1.240 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.255 -2.300 2.633 1.00 0.00 C ATOM 675 CG2 VAL A 128 -0.058 -2.855 0.211 1.00 0.00 C ATOM 0 H VAL A 128 -1.261 -0.241 3.204 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.315 -0.357 0.257 1.00 0.00 H new ATOM 0 HB VAL A 128 0.867 -1.099 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.165 -2.900 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.359 -1.480 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.591 -2.924 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.856 -3.448 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.913 -3.493 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.174 -2.426 -0.784 1.00 0.00 H new ATOM 685 N VAL A 129 -3.498 -1.541 0.543 1.00 0.00 N ATOM 686 CA VAL A 129 -4.715 -2.343 0.574 1.00 0.00 C ATOM 687 C VAL A 129 -4.400 -3.826 0.411 1.00 0.00 C ATOM 688 O VAL A 129 -3.706 -4.226 -0.524 1.00 0.00 O ATOM 689 CB VAL A 129 -5.698 -1.914 -0.531 1.00 0.00 C ATOM 690 CG1 VAL A 129 -7.003 -2.687 -0.415 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.949 -0.415 -0.467 1.00 0.00 C ATOM 0 H VAL A 129 -3.511 -0.782 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.178 -2.178 1.547 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.253 -2.144 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.685 -2.370 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.804 -3.754 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.457 -2.491 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.646 -0.129 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.373 -0.158 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.008 0.118 -0.604 1.00 0.00 H new ATOM 701 N LYS A 130 -4.915 -4.639 1.327 1.00 0.00 N ATOM 702 CA LYS A 130 -4.691 -6.079 1.286 1.00 0.00 C ATOM 703 C LYS A 130 -6.014 -6.833 1.200 1.00 0.00 C ATOM 704 O LYS A 130 -7.086 -6.242 1.335 1.00 0.00 O ATOM 705 CB LYS A 130 -3.914 -6.531 2.524 1.00 0.00 C ATOM 706 CG LYS A 130 -2.416 -6.298 2.421 1.00 0.00 C ATOM 707 CD LYS A 130 -1.733 -6.458 3.769 1.00 0.00 C ATOM 708 CE LYS A 130 -0.252 -6.121 3.686 1.00 0.00 C ATOM 709 NZ LYS A 130 0.544 -6.868 4.699 1.00 0.00 N ATOM 0 H LYS A 130 -5.491 -4.325 2.108 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.105 -6.305 0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.297 -6.001 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.098 -7.592 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -1.986 -7.001 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.228 -5.297 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.214 -5.810 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -1.855 -7.482 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 130 0.118 -6.355 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -0.114 -5.050 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.548 -6.611 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 0.208 -6.625 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 0.433 -7.890 4.543 1.00 0.00 H new ATOM 723 N ASP A 131 -5.932 -8.140 0.977 1.00 0.00 N ATOM 724 CA ASP A 131 -7.123 -8.975 0.876 1.00 0.00 C ATOM 725 C ASP A 131 -7.722 -9.235 2.254 1.00 0.00 C ATOM 726 O ASP A 131 -7.042 -9.107 3.272 1.00 0.00 O ATOM 727 CB ASP A 131 -6.785 -10.302 0.194 1.00 0.00 C ATOM 728 CG ASP A 131 -7.975 -10.900 -0.530 1.00 0.00 C ATOM 729 OD1 ASP A 131 -9.066 -10.963 0.075 1.00 0.00 O ATOM 730 OD2 ASP A 131 -7.816 -11.307 -1.700 1.00 0.00 O ATOM 0 H ASP A 131 -5.053 -8.644 0.863 1.00 0.00 H new ATOM 0 HA ASP A 131 -7.860 -8.443 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.973 -10.146 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.425 -11.010 0.941 1.00 0.00 H new ATOM 735 N MET A 132 -9.000 -9.601 2.279 1.00 0.00 N ATOM 736 CA MET A 132 -9.691 -9.879 3.532 1.00 0.00 C ATOM 737 C MET A 132 -9.814 -11.382 3.763 1.00 0.00 C ATOM 738 O MET A 132 -10.517 -11.824 4.671 1.00 0.00 O ATOM 739 CB MET A 132 -11.079 -9.236 3.528 1.00 0.00 C ATOM 740 CG MET A 132 -11.052 -7.731 3.738 1.00 0.00 C ATOM 741 SD MET A 132 -10.019 -6.879 2.530 1.00 0.00 S ATOM 742 CE MET A 132 -10.747 -5.243 2.556 1.00 0.00 C ATOM 0 H MET A 132 -9.577 -9.712 1.445 1.00 0.00 H new ATOM 0 HA MET A 132 -9.104 -9.451 4.344 1.00 0.00 H new ATOM 0 HB2 MET A 132 -11.568 -9.453 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.684 -9.693 4.311 1.00 0.00 H new ATOM 0 HG2 MET A 132 -12.068 -7.342 3.680 1.00 0.00 H new ATOM 0 HG3 MET A 132 -10.685 -7.515 4.741 1.00 0.00 H new ATOM 0 HE1 MET A 132 -10.215 -4.597 1.858 1.00 0.00 H new ATOM 0 HE2 MET A 132 -11.796 -5.307 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 132 -10.674 -4.828 3.561 1.00 0.00 H new ATOM 752 N ALA A 133 -9.128 -12.162 2.934 1.00 0.00 N ATOM 753 CA ALA A 133 -9.160 -13.614 3.049 1.00 0.00 C ATOM 754 C ALA A 133 -7.756 -14.182 3.233 1.00 0.00 C ATOM 755 O ALA A 133 -7.534 -15.061 4.067 1.00 0.00 O ATOM 756 CB ALA A 133 -9.822 -14.226 1.824 1.00 0.00 C ATOM 0 H ALA A 133 -8.543 -11.812 2.175 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.746 -13.871 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.839 -15.311 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -10.843 -13.854 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.259 -13.952 0.931 1.00 0.00 H new ATOM 762 N THR A 134 -6.810 -13.674 2.449 1.00 0.00 N ATOM 763 CA THR A 134 -5.429 -14.132 2.524 1.00 0.00 C ATOM 764 C THR A 134 -4.579 -13.181 3.359 1.00 0.00 C ATOM 765 O THR A 134 -3.625 -13.598 4.014 1.00 0.00 O ATOM 766 CB THR A 134 -4.804 -14.264 1.122 1.00 0.00 C ATOM 767 OG1 THR A 134 -4.520 -12.966 0.588 1.00 0.00 O ATOM 768 CG2 THR A 134 -5.737 -15.011 0.182 1.00 0.00 C ATOM 0 H THR A 134 -6.976 -12.945 1.755 1.00 0.00 H new ATOM 0 HA THR A 134 -5.447 -15.112 3.000 1.00 0.00 H new ATOM 0 HB THR A 134 -3.877 -14.830 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.121 -13.059 -0.302 1.00 0.00 H new ATOM 0 HG21 THR A 134 -5.274 -15.092 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 134 -5.928 -16.009 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 134 -6.678 -14.468 0.097 1.00 0.00 H new ATOM 776 N GLY A 135 -4.933 -11.899 3.332 1.00 0.00 N ATOM 777 CA GLY A 135 -4.192 -10.909 4.092 1.00 0.00 C ATOM 778 C GLY A 135 -2.880 -10.535 3.432 1.00 0.00 C ATOM 779 O GLY A 135 -1.913 -10.186 4.110 1.00 0.00 O ATOM 0 H GLY A 135 -5.719 -11.529 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.803 -10.014 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -3.995 -11.296 5.092 1.00 0.00 H new ATOM 783 N LYS A 136 -2.844 -10.608 2.106 1.00 0.00 N ATOM 784 CA LYS A 136 -1.641 -10.275 1.353 1.00 0.00 C ATOM 785 C LYS A 136 -1.862 -9.032 0.497 1.00 0.00 C ATOM 786 O LYS A 136 -2.993 -8.712 0.131 1.00 0.00 O ATOM 787 CB LYS A 136 -1.227 -11.451 0.466 1.00 0.00 C ATOM 788 CG LYS A 136 -1.060 -12.756 1.225 1.00 0.00 C ATOM 789 CD LYS A 136 0.239 -12.781 2.012 1.00 0.00 C ATOM 790 CE LYS A 136 0.659 -14.204 2.350 1.00 0.00 C ATOM 791 NZ LYS A 136 1.715 -14.236 3.399 1.00 0.00 N ATOM 0 H LYS A 136 -3.635 -10.895 1.530 1.00 0.00 H new ATOM 0 HA LYS A 136 -0.843 -10.067 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -1.975 -11.588 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -0.288 -11.207 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -1.901 -12.893 1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -1.078 -13.590 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 136 1.025 -12.296 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 136 0.120 -12.208 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -0.209 -14.768 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 136 1.026 -14.698 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 1.974 -15.223 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 2.553 -13.720 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 1.357 -13.788 4.266 1.00 0.00 H new ATOM 805 N SER A 137 -0.775 -8.336 0.179 1.00 0.00 N ATOM 806 CA SER A 137 -0.851 -7.127 -0.632 1.00 0.00 C ATOM 807 C SER A 137 -1.656 -7.376 -1.904 1.00 0.00 C ATOM 808 O SER A 137 -1.220 -8.102 -2.798 1.00 0.00 O ATOM 809 CB SER A 137 0.554 -6.640 -0.992 1.00 0.00 C ATOM 810 OG SER A 137 0.552 -5.255 -1.292 1.00 0.00 O ATOM 0 H SER A 137 0.169 -8.589 0.471 1.00 0.00 H new ATOM 0 HA SER A 137 -1.356 -6.358 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.234 -6.835 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 137 0.928 -7.200 -1.849 1.00 0.00 H new ATOM 0 HG SER A 137 1.462 -4.968 -1.517 1.00 0.00 H new ATOM 816 N LYS A 138 -2.836 -6.769 -1.978 1.00 0.00 N ATOM 817 CA LYS A 138 -3.704 -6.922 -3.140 1.00 0.00 C ATOM 818 C LYS A 138 -2.957 -6.586 -4.426 1.00 0.00 C ATOM 819 O LYS A 138 -3.192 -7.193 -5.469 1.00 0.00 O ATOM 820 CB LYS A 138 -4.936 -6.024 -3.003 1.00 0.00 C ATOM 821 CG LYS A 138 -6.072 -6.664 -2.225 1.00 0.00 C ATOM 822 CD LYS A 138 -7.425 -6.151 -2.690 1.00 0.00 C ATOM 823 CE LYS A 138 -8.564 -6.965 -2.094 1.00 0.00 C ATOM 824 NZ LYS A 138 -8.495 -8.396 -2.501 1.00 0.00 N ATOM 0 H LYS A 138 -3.213 -6.166 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.024 -7.963 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.646 -5.097 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.293 -5.757 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.032 -7.747 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -5.949 -6.456 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.536 -5.105 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.477 -6.193 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.531 -6.895 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.517 -6.543 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -9.357 -8.888 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -8.416 -8.459 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -7.664 -8.842 -2.062 1.00 0.00 H new ATOM 838 N GLY A 139 -2.053 -5.614 -4.343 1.00 0.00 N ATOM 839 CA GLY A 139 -1.284 -5.215 -5.507 1.00 0.00 C ATOM 840 C GLY A 139 -1.419 -3.737 -5.813 1.00 0.00 C ATOM 841 O GLY A 139 -1.004 -3.275 -6.877 1.00 0.00 O ATOM 0 H GLY A 139 -1.840 -5.096 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.233 -5.454 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.612 -5.793 -6.371 1.00 0.00 H new ATOM 845 N TYR A 140 -2.003 -2.993 -4.881 1.00 0.00 N ATOM 846 CA TYR A 140 -2.196 -1.558 -5.057 1.00 0.00 C ATOM 847 C TYR A 140 -2.293 -0.851 -3.709 1.00 0.00 C ATOM 848 O TYR A 140 -2.590 -1.473 -2.689 1.00 0.00 O ATOM 849 CB TYR A 140 -3.458 -1.290 -5.879 1.00 0.00 C ATOM 850 CG TYR A 140 -4.730 -1.746 -5.201 1.00 0.00 C ATOM 851 CD1 TYR A 140 -5.164 -3.061 -5.308 1.00 0.00 C ATOM 852 CD2 TYR A 140 -5.499 -0.861 -4.455 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.326 -3.483 -4.691 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.661 -1.274 -3.833 1.00 0.00 C ATOM 855 CZ TYR A 140 -7.071 -2.586 -3.954 1.00 0.00 C ATOM 856 OH TYR A 140 -8.229 -3.000 -3.338 1.00 0.00 O ATOM 0 H TYR A 140 -2.351 -3.360 -3.995 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.332 -1.163 -5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.528 -0.222 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.368 -1.794 -6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.583 -3.766 -5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -5.183 0.167 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.649 -4.509 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -7.246 -0.574 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.634 -3.725 -3.857 1.00 0.00 H new ATOM 866 N GLY A 141 -2.042 0.454 -3.713 1.00 0.00 N ATOM 867 CA GLY A 141 -2.107 1.226 -2.485 1.00 0.00 C ATOM 868 C GLY A 141 -2.271 2.711 -2.742 1.00 0.00 C ATOM 869 O GLY A 141 -2.557 3.126 -3.865 1.00 0.00 O ATOM 0 H GLY A 141 -1.795 0.991 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.941 0.871 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -1.199 1.059 -1.906 1.00 0.00 H new ATOM 873 N PHE A 142 -2.092 3.513 -1.698 1.00 0.00 N ATOM 874 CA PHE A 142 -2.225 4.961 -1.815 1.00 0.00 C ATOM 875 C PHE A 142 -1.171 5.674 -0.974 1.00 0.00 C ATOM 876 O PHE A 142 -0.701 5.144 0.033 1.00 0.00 O ATOM 877 CB PHE A 142 -3.624 5.402 -1.381 1.00 0.00 C ATOM 878 CG PHE A 142 -4.730 4.687 -2.103 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.143 3.430 -1.693 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.356 5.271 -3.192 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.161 2.768 -2.355 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.374 4.615 -3.858 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.776 3.362 -3.440 1.00 0.00 C ATOM 0 H PHE A 142 -1.855 3.185 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.074 5.231 -2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.733 5.234 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.726 6.474 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.664 2.961 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.045 6.250 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.474 1.789 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.855 5.082 -4.705 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.570 2.847 -3.960 1.00 0.00 H new ATOM 893 N VAL A 143 -0.802 6.879 -1.395 1.00 0.00 N ATOM 894 CA VAL A 143 0.196 7.666 -0.682 1.00 0.00 C ATOM 895 C VAL A 143 -0.001 9.158 -0.927 1.00 0.00 C ATOM 896 O VAL A 143 0.244 9.655 -2.026 1.00 0.00 O ATOM 897 CB VAL A 143 1.625 7.273 -1.101 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.631 8.295 -0.592 1.00 0.00 C ATOM 899 CG2 VAL A 143 1.965 5.880 -0.594 1.00 0.00 C ATOM 0 H VAL A 143 -1.180 7.332 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 143 0.065 7.455 0.379 1.00 0.00 H new ATOM 0 HB VAL A 143 1.675 7.260 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.635 8.001 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.397 9.275 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.582 8.343 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.978 5.619 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.898 5.862 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.263 5.159 -1.013 1.00 0.00 H new ATOM 909 N SER A 144 -0.446 9.868 0.105 1.00 0.00 N ATOM 910 CA SER A 144 -0.680 11.304 0.001 1.00 0.00 C ATOM 911 C SER A 144 0.607 12.084 0.252 1.00 0.00 C ATOM 912 O SER A 144 1.486 11.633 0.987 1.00 0.00 O ATOM 913 CB SER A 144 -1.757 11.740 0.997 1.00 0.00 C ATOM 914 OG SER A 144 -2.996 11.114 0.714 1.00 0.00 O ATOM 0 H SER A 144 -0.652 9.473 1.022 1.00 0.00 H new ATOM 0 HA SER A 144 -1.023 11.519 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.443 11.490 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 144 -1.876 12.823 0.958 1.00 0.00 H new ATOM 0 HG SER A 144 -3.520 11.683 0.112 1.00 0.00 H new ATOM 920 N PHE A 145 0.710 13.257 -0.363 1.00 0.00 N ATOM 921 CA PHE A 145 1.889 14.100 -0.209 1.00 0.00 C ATOM 922 C PHE A 145 1.492 15.529 0.152 1.00 0.00 C ATOM 923 O PHE A 145 0.431 16.009 -0.246 1.00 0.00 O ATOM 924 CB PHE A 145 2.717 14.098 -1.496 1.00 0.00 C ATOM 925 CG PHE A 145 3.661 12.935 -1.599 1.00 0.00 C ATOM 926 CD1 PHE A 145 4.942 13.018 -1.077 1.00 0.00 C ATOM 927 CD2 PHE A 145 3.269 11.760 -2.219 1.00 0.00 C ATOM 928 CE1 PHE A 145 5.814 11.949 -1.170 1.00 0.00 C ATOM 929 CE2 PHE A 145 4.136 10.688 -2.315 1.00 0.00 C ATOM 930 CZ PHE A 145 5.411 10.783 -1.791 1.00 0.00 C ATOM 0 H PHE A 145 -0.009 13.645 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 145 2.492 13.693 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 145 2.043 14.085 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.288 15.025 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.263 13.928 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 145 2.274 11.681 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 145 6.809 12.026 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 145 3.817 9.777 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.091 9.947 -1.867 1.00 0.00 H new ATOM 940 N TYR A 146 2.352 16.203 0.908 1.00 0.00 N ATOM 941 CA TYR A 146 2.091 17.575 1.325 1.00 0.00 C ATOM 942 C TYR A 146 2.020 18.507 0.119 1.00 0.00 C ATOM 943 O TYR A 146 1.142 19.364 0.034 1.00 0.00 O ATOM 944 CB TYR A 146 3.178 18.052 2.290 1.00 0.00 C ATOM 945 CG TYR A 146 2.863 17.776 3.742 1.00 0.00 C ATOM 946 CD1 TYR A 146 3.017 16.502 4.276 1.00 0.00 C ATOM 947 CD2 TYR A 146 2.411 18.787 4.581 1.00 0.00 C ATOM 948 CE1 TYR A 146 2.729 16.244 5.603 1.00 0.00 C ATOM 949 CE2 TYR A 146 2.123 18.539 5.908 1.00 0.00 C ATOM 950 CZ TYR A 146 2.283 17.266 6.415 1.00 0.00 C ATOM 951 OH TYR A 146 1.995 17.014 7.737 1.00 0.00 O ATOM 0 H TYR A 146 3.236 15.821 1.244 1.00 0.00 H new ATOM 0 HA TYR A 146 1.128 17.596 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.119 17.566 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.326 19.124 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.368 15.700 3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 146 2.283 19.785 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.852 15.248 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 146 1.774 19.337 6.546 1.00 0.00 H new ATOM 0 HH TYR A 146 1.694 17.840 8.170 1.00 0.00 H new ATOM 961 N ASN A 147 2.952 18.331 -0.812 1.00 0.00 N ATOM 962 CA ASN A 147 2.997 19.156 -2.014 1.00 0.00 C ATOM 963 C ASN A 147 2.856 18.298 -3.268 1.00 0.00 C ATOM 964 O ASN A 147 3.124 17.096 -3.245 1.00 0.00 O ATOM 965 CB ASN A 147 4.306 19.945 -2.068 1.00 0.00 C ATOM 966 CG ASN A 147 4.395 20.835 -3.293 1.00 0.00 C ATOM 967 OD1 ASN A 147 5.286 20.673 -4.127 1.00 0.00 O ATOM 968 ND2 ASN A 147 3.470 21.780 -3.406 1.00 0.00 N ATOM 0 H ASN A 147 3.686 17.625 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 147 2.161 19.854 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.395 20.557 -1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 147 5.146 19.250 -2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 147 3.479 22.409 -4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 147 2.750 21.877 -2.690 1.00 0.00 H new ATOM 975 N LYS A 148 2.433 18.923 -4.361 1.00 0.00 N ATOM 976 CA LYS A 148 2.258 18.219 -5.626 1.00 0.00 C ATOM 977 C LYS A 148 3.596 17.724 -6.164 1.00 0.00 C ATOM 978 O LYS A 148 3.739 16.554 -6.523 1.00 0.00 O ATOM 979 CB LYS A 148 1.590 19.135 -6.654 1.00 0.00 C ATOM 980 CG LYS A 148 1.316 18.456 -7.985 1.00 0.00 C ATOM 981 CD LYS A 148 0.232 19.180 -8.767 1.00 0.00 C ATOM 982 CE LYS A 148 -0.314 18.315 -9.893 1.00 0.00 C ATOM 983 NZ LYS A 148 -1.169 19.097 -10.828 1.00 0.00 N ATOM 0 H LYS A 148 2.205 19.916 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 148 1.618 17.355 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.650 19.504 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.227 20.003 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.232 18.425 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 148 1.013 17.423 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.579 19.458 -8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 148 0.635 20.105 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.515 17.871 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.894 17.494 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -1.522 18.472 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -1.974 19.500 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -0.609 19.866 -11.250 1.00 0.00 H new ATOM 997 N LEU A 149 4.576 18.620 -6.215 1.00 0.00 N ATOM 998 CA LEU A 149 5.905 18.274 -6.708 1.00 0.00 C ATOM 999 C LEU A 149 6.401 16.979 -6.072 1.00 0.00 C ATOM 1000 O LEU A 149 6.744 16.025 -6.769 1.00 0.00 O ATOM 1001 CB LEU A 149 6.889 19.408 -6.417 1.00 0.00 C ATOM 1002 CG LEU A 149 8.249 19.309 -7.109 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.095 19.458 -8.614 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.203 20.362 -6.562 1.00 0.00 C ATOM 0 H LEU A 149 4.475 19.592 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 149 5.839 18.126 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.423 20.350 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 149 7.054 19.452 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 149 8.669 18.324 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.073 19.385 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 149 7.447 18.668 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 149 7.654 20.429 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.166 20.277 -7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.788 21.355 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.339 20.209 -5.491 1.00 0.00 H new ATOM 1016 N ASP A 150 6.434 16.953 -4.744 1.00 0.00 N ATOM 1017 CA ASP A 150 6.884 15.775 -4.013 1.00 0.00 C ATOM 1018 C ASP A 150 6.253 14.508 -4.583 1.00 0.00 C ATOM 1019 O ASP A 150 6.906 13.470 -4.687 1.00 0.00 O ATOM 1020 CB ASP A 150 6.542 15.907 -2.528 1.00 0.00 C ATOM 1021 CG ASP A 150 7.416 16.923 -1.821 1.00 0.00 C ATOM 1022 OD1 ASP A 150 8.548 17.163 -2.292 1.00 0.00 O ATOM 1023 OD2 ASP A 150 6.969 17.479 -0.796 1.00 0.00 O ATOM 0 H ASP A 150 6.154 17.735 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 150 7.966 15.702 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 150 5.496 16.196 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 150 6.654 14.937 -2.045 1.00 0.00 H new ATOM 1028 N ALA A 151 4.979 14.601 -4.948 1.00 0.00 N ATOM 1029 CA ALA A 151 4.260 13.463 -5.508 1.00 0.00 C ATOM 1030 C ALA A 151 4.804 13.092 -6.883 1.00 0.00 C ATOM 1031 O ALA A 151 5.099 11.927 -7.150 1.00 0.00 O ATOM 1032 CB ALA A 151 2.772 13.769 -5.592 1.00 0.00 C ATOM 0 H ALA A 151 4.423 15.452 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 151 4.408 12.610 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.247 12.911 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.386 13.977 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.615 14.638 -6.230 1.00 0.00 H new ATOM 1038 N GLU A 152 4.935 14.089 -7.752 1.00 0.00 N ATOM 1039 CA GLU A 152 5.443 13.865 -9.100 1.00 0.00 C ATOM 1040 C GLU A 152 6.759 13.095 -9.065 1.00 0.00 C ATOM 1041 O GLU A 152 6.951 12.138 -9.814 1.00 0.00 O ATOM 1042 CB GLU A 152 5.640 15.200 -9.823 1.00 0.00 C ATOM 1043 CG GLU A 152 4.413 15.663 -10.591 1.00 0.00 C ATOM 1044 CD GLU A 152 4.524 17.102 -11.055 1.00 0.00 C ATOM 1045 OE1 GLU A 152 5.659 17.556 -11.313 1.00 0.00 O ATOM 1046 OE2 GLU A 152 3.478 17.775 -11.160 1.00 0.00 O ATOM 0 H GLU A 152 4.696 15.059 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 152 4.708 13.270 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 152 5.910 15.963 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.478 15.109 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 152 4.265 15.017 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.532 15.556 -9.959 1.00 0.00 H new ATOM 1053 N ASN A 153 7.664 13.520 -8.188 1.00 0.00 N ATOM 1054 CA ASN A 153 8.963 12.871 -8.055 1.00 0.00 C ATOM 1055 C ASN A 153 8.801 11.368 -7.844 1.00 0.00 C ATOM 1056 O ASN A 153 9.462 10.564 -8.500 1.00 0.00 O ATOM 1057 CB ASN A 153 9.743 13.480 -6.889 1.00 0.00 C ATOM 1058 CG ASN A 153 10.581 14.671 -7.314 1.00 0.00 C ATOM 1059 OD1 ASN A 153 11.563 14.525 -8.042 1.00 0.00 O ATOM 1060 ND2 ASN A 153 10.196 15.857 -6.858 1.00 0.00 N ATOM 0 H ASN A 153 7.521 14.311 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 153 9.519 13.032 -8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 153 9.045 13.789 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.391 12.720 -6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 153 10.721 16.695 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 153 9.375 15.930 -6.257 1.00 0.00 H new ATOM 1067 N ALA A 154 7.917 10.997 -6.923 1.00 0.00 N ATOM 1068 CA ALA A 154 7.667 9.593 -6.627 1.00 0.00 C ATOM 1069 C ALA A 154 7.070 8.875 -7.833 1.00 0.00 C ATOM 1070 O ALA A 154 7.610 7.872 -8.300 1.00 0.00 O ATOM 1071 CB ALA A 154 6.745 9.463 -5.424 1.00 0.00 C ATOM 0 H ALA A 154 7.362 11.650 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 154 8.621 9.122 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.567 8.408 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.210 9.932 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 154 5.796 9.956 -5.638 1.00 0.00 H new ATOM 1077 N ILE A 155 5.954 9.395 -8.333 1.00 0.00 N ATOM 1078 CA ILE A 155 5.285 8.804 -9.485 1.00 0.00 C ATOM 1079 C ILE A 155 6.267 8.561 -10.626 1.00 0.00 C ATOM 1080 O ILE A 155 6.149 7.582 -11.363 1.00 0.00 O ATOM 1081 CB ILE A 155 4.139 9.699 -9.990 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.035 9.797 -8.935 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.581 9.157 -11.298 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.009 10.869 -9.231 1.00 0.00 C ATOM 0 H ILE A 155 5.494 10.225 -7.958 1.00 0.00 H new ATOM 0 HA ILE A 155 4.872 7.851 -9.156 1.00 0.00 H new ATOM 0 HB ILE A 155 4.532 10.699 -10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.530 8.834 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.488 9.997 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.771 9.800 -11.643 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.371 9.134 -12.049 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.200 8.148 -11.141 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.257 10.881 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.501 11.840 -9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.528 10.659 -10.186 1.00 0.00 H new ATOM 1096 N VAL A 156 7.238 9.458 -10.764 1.00 0.00 N ATOM 1097 CA VAL A 156 8.243 9.340 -11.814 1.00 0.00 C ATOM 1098 C VAL A 156 9.314 8.322 -11.438 1.00 0.00 C ATOM 1099 O VAL A 156 9.649 7.437 -12.226 1.00 0.00 O ATOM 1100 CB VAL A 156 8.917 10.696 -12.100 1.00 0.00 C ATOM 1101 CG1 VAL A 156 10.076 10.522 -13.070 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.903 11.691 -12.642 1.00 0.00 C ATOM 0 H VAL A 156 7.350 10.274 -10.162 1.00 0.00 H new ATOM 0 HA VAL A 156 7.725 9.003 -12.712 1.00 0.00 H new ATOM 0 HB VAL A 156 9.313 11.090 -11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.540 11.490 -13.260 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.813 9.845 -12.638 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.707 10.106 -14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.396 12.643 -12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.475 11.306 -13.568 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.110 11.838 -11.909 1.00 0.00 H new ATOM 1112 N HIS A 157 9.848 8.453 -10.228 1.00 0.00 N ATOM 1113 CA HIS A 157 10.881 7.543 -9.746 1.00 0.00 C ATOM 1114 C HIS A 157 10.291 6.174 -9.422 1.00 0.00 C ATOM 1115 O HIS A 157 10.591 5.184 -10.089 1.00 0.00 O ATOM 1116 CB HIS A 157 11.564 8.123 -8.507 1.00 0.00 C ATOM 1117 CG HIS A 157 12.656 9.097 -8.826 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.988 8.744 -8.873 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.607 10.418 -9.116 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.712 9.807 -9.177 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.898 10.836 -9.330 1.00 0.00 N ATOM 0 H HIS A 157 9.583 9.180 -9.564 1.00 0.00 H new ATOM 0 HA HIS A 157 11.621 7.422 -10.537 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.816 8.618 -7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 157 11.978 7.307 -7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.718 11.030 -9.169 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.787 9.830 -9.282 1.00 0.00 H new ATOM 0 HE2 HIS A 157 14.182 11.786 -9.568 1.00 0.00 H new ATOM 1130 N MET A 158 9.450 6.125 -8.393 1.00 0.00 N ATOM 1131 CA MET A 158 8.818 4.877 -7.981 1.00 0.00 C ATOM 1132 C MET A 158 8.294 4.109 -9.190 1.00 0.00 C ATOM 1133 O MET A 158 8.521 2.906 -9.319 1.00 0.00 O ATOM 1134 CB MET A 158 7.673 5.158 -7.006 1.00 0.00 C ATOM 1135 CG MET A 158 8.143 5.600 -5.629 1.00 0.00 C ATOM 1136 SD MET A 158 8.422 4.212 -4.512 1.00 0.00 S ATOM 1137 CE MET A 158 10.211 4.187 -4.444 1.00 0.00 C ATOM 0 H MET A 158 9.191 6.935 -7.830 1.00 0.00 H new ATOM 0 HA MET A 158 9.569 4.266 -7.481 1.00 0.00 H new ATOM 0 HB2 MET A 158 7.030 5.931 -7.427 1.00 0.00 H new ATOM 0 HB3 MET A 158 7.066 4.259 -6.903 1.00 0.00 H new ATOM 0 HG2 MET A 158 9.066 6.171 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.401 6.269 -5.193 1.00 0.00 H new ATOM 0 HE1 MET A 158 10.546 3.234 -4.036 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.615 4.314 -5.448 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.562 4.998 -3.806 1.00 0.00 H new ATOM 1147 N GLY A 159 7.592 4.811 -10.074 1.00 0.00 N ATOM 1148 CA GLY A 159 7.047 4.177 -11.260 1.00 0.00 C ATOM 1149 C GLY A 159 7.969 3.116 -11.827 1.00 0.00 C ATOM 1150 O GLY A 159 8.948 3.431 -12.503 1.00 0.00 O ATOM 0 H GLY A 159 7.391 5.807 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.085 3.726 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.860 4.935 -12.020 1.00 0.00 H new ATOM 1154 N GLY A 160 7.658 1.854 -11.548 1.00 0.00 N ATOM 1155 CA GLY A 160 8.478 0.762 -12.040 1.00 0.00 C ATOM 1156 C GLY A 160 9.665 0.477 -11.142 1.00 0.00 C ATOM 1157 O GLY A 160 10.109 -0.666 -11.034 1.00 0.00 O ATOM 0 H GLY A 160 6.853 1.568 -10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 160 7.867 -0.137 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.834 1.002 -13.042 1.00 0.00 H new ATOM 1161 N GLN A 161 10.180 1.518 -10.497 1.00 0.00 N ATOM 1162 CA GLN A 161 11.325 1.373 -9.605 1.00 0.00 C ATOM 1163 C GLN A 161 11.281 0.034 -8.876 1.00 0.00 C ATOM 1164 O GLN A 161 10.208 -0.521 -8.641 1.00 0.00 O ATOM 1165 CB GLN A 161 11.356 2.518 -8.591 1.00 0.00 C ATOM 1166 CG GLN A 161 12.439 2.366 -7.535 1.00 0.00 C ATOM 1167 CD GLN A 161 13.833 2.558 -8.097 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.318 1.739 -8.878 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.487 3.644 -7.702 1.00 0.00 N ATOM 0 H GLN A 161 9.823 2.470 -10.575 1.00 0.00 H new ATOM 0 HA GLN A 161 12.231 1.407 -10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.507 3.458 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.386 2.582 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.269 3.091 -6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.366 1.376 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 161 14.047 4.297 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 161 15.429 3.826 -8.047 1.00 0.00 H new ATOM 1178 N TRP A 162 12.454 -0.479 -8.523 1.00 0.00 N ATOM 1179 CA TRP A 162 12.549 -1.754 -7.821 1.00 0.00 C ATOM 1180 C TRP A 162 12.681 -1.539 -6.317 1.00 0.00 C ATOM 1181 O TRP A 162 13.788 -1.415 -5.792 1.00 0.00 O ATOM 1182 CB TRP A 162 13.743 -2.557 -8.340 1.00 0.00 C ATOM 1183 CG TRP A 162 13.580 -3.013 -9.759 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.939 -2.330 -10.885 1.00 0.00 C ATOM 1185 CD2 TRP A 162 13.015 -4.252 -10.201 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.631 -3.069 -12.002 1.00 0.00 N ATOM 1187 CE2 TRP A 162 13.064 -4.253 -11.609 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.475 -5.362 -9.546 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.592 -5.319 -12.369 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 12.007 -6.419 -10.302 1.00 0.00 C ATOM 1191 CH2 TRP A 162 12.068 -6.393 -11.701 1.00 0.00 C ATOM 0 H TRP A 162 13.352 -0.032 -8.711 1.00 0.00 H new ATOM 0 HA TRP A 162 11.633 -2.314 -8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.643 -1.947 -8.263 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.892 -3.427 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.398 -1.352 -10.896 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.797 -2.783 -12.967 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.424 -5.393 -8.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.637 -5.300 -13.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.586 -7.281 -9.805 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.695 -7.236 -12.263 1.00 0.00 H new ATOM 1202 N LEU A 163 11.546 -1.498 -5.628 1.00 0.00 N ATOM 1203 CA LEU A 163 11.535 -1.298 -4.183 1.00 0.00 C ATOM 1204 C LEU A 163 11.715 -2.623 -3.449 1.00 0.00 C ATOM 1205 O LEU A 163 12.756 -2.871 -2.842 1.00 0.00 O ATOM 1206 CB LEU A 163 10.225 -0.636 -3.750 1.00 0.00 C ATOM 1207 CG LEU A 163 10.232 0.026 -2.372 1.00 0.00 C ATOM 1208 CD1 LEU A 163 9.006 0.909 -2.198 1.00 0.00 C ATOM 1209 CD2 LEU A 163 10.292 -1.027 -1.275 1.00 0.00 C ATOM 0 H LEU A 163 10.621 -1.601 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 163 12.368 -0.644 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.959 0.117 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.438 -1.390 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 163 11.120 0.653 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 163 9.028 1.372 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 163 9.005 1.685 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 163 8.105 0.303 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 163 10.296 -0.538 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.422 -1.680 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 163 11.201 -1.619 -1.388 1.00 0.00 H new ATOM 1221 N GLY A 164 10.694 -3.472 -3.511 1.00 0.00 N ATOM 1222 CA GLY A 164 10.761 -4.762 -2.850 1.00 0.00 C ATOM 1223 C GLY A 164 10.537 -5.917 -3.807 1.00 0.00 C ATOM 1224 O GLY A 164 9.471 -6.034 -4.410 1.00 0.00 O ATOM 0 H GLY A 164 9.822 -3.289 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.735 -4.873 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 164 10.013 -4.800 -2.058 1.00 0.00 H new ATOM 1228 N GLY A 165 11.546 -6.771 -3.948 1.00 0.00 N ATOM 1229 CA GLY A 165 11.434 -7.910 -4.841 1.00 0.00 C ATOM 1230 C GLY A 165 11.078 -7.503 -6.257 1.00 0.00 C ATOM 1231 O GLY A 165 11.957 -7.188 -7.060 1.00 0.00 O ATOM 0 H GLY A 165 12.439 -6.695 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.378 -8.456 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.674 -8.593 -4.461 1.00 0.00 H new ATOM 1235 N ARG A 166 9.785 -7.511 -6.566 1.00 0.00 N ATOM 1236 CA ARG A 166 9.315 -7.142 -7.896 1.00 0.00 C ATOM 1237 C ARG A 166 9.256 -5.625 -8.051 1.00 0.00 C ATOM 1238 O ARG A 166 9.586 -4.885 -7.125 1.00 0.00 O ATOM 1239 CB ARG A 166 7.934 -7.747 -8.157 1.00 0.00 C ATOM 1240 CG ARG A 166 7.889 -9.257 -7.993 1.00 0.00 C ATOM 1241 CD ARG A 166 6.513 -9.728 -7.549 1.00 0.00 C ATOM 1242 NE ARG A 166 6.253 -11.109 -7.947 1.00 0.00 N ATOM 1243 CZ ARG A 166 6.721 -12.164 -7.290 1.00 0.00 C ATOM 1244 NH1 ARG A 166 7.469 -11.997 -6.208 1.00 0.00 N ATOM 1245 NH2 ARG A 166 6.441 -13.390 -7.714 1.00 0.00 N ATOM 0 H ARG A 166 9.045 -7.769 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 166 10.021 -7.536 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.214 -7.295 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.620 -7.491 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 166 8.151 -9.735 -8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.635 -9.567 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 166 6.432 -9.642 -6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 166 5.751 -9.077 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 166 5.680 -11.272 -8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 166 7.686 -11.056 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 166 7.827 -12.809 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 166 5.866 -13.523 -8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 166 6.801 -14.199 -7.208 1.00 0.00 H new ATOM 1259 N GLN A 167 8.834 -5.172 -9.227 1.00 0.00 N ATOM 1260 CA GLN A 167 8.733 -3.744 -9.503 1.00 0.00 C ATOM 1261 C GLN A 167 7.413 -3.181 -8.986 1.00 0.00 C ATOM 1262 O GLN A 167 6.567 -3.921 -8.483 1.00 0.00 O ATOM 1263 CB GLN A 167 8.859 -3.483 -11.005 1.00 0.00 C ATOM 1264 CG GLN A 167 10.284 -3.588 -11.524 1.00 0.00 C ATOM 1265 CD GLN A 167 10.367 -3.454 -13.031 1.00 0.00 C ATOM 1266 OE1 GLN A 167 10.568 -4.438 -13.744 1.00 0.00 O ATOM 1267 NE2 GLN A 167 10.213 -2.232 -13.527 1.00 0.00 N ATOM 0 H GLN A 167 8.557 -5.773 -10.003 1.00 0.00 H new ATOM 0 HA GLN A 167 9.549 -3.241 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 167 8.232 -4.194 -11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.473 -2.488 -11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 167 10.894 -2.813 -11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.706 -4.547 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 167 10.048 -1.444 -12.900 1.00 0.00 H new ATOM 0 HE22 GLN A 167 10.259 -2.081 -14.535 1.00 0.00 H new ATOM 1276 N ILE A 168 7.245 -1.869 -9.112 1.00 0.00 N ATOM 1277 CA ILE A 168 6.028 -1.209 -8.658 1.00 0.00 C ATOM 1278 C ILE A 168 5.478 -0.272 -9.729 1.00 0.00 C ATOM 1279 O ILE A 168 6.155 0.027 -10.713 1.00 0.00 O ATOM 1280 CB ILE A 168 6.271 -0.406 -7.366 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.452 0.549 -7.548 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.519 -1.347 -6.197 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.512 1.642 -6.504 1.00 0.00 C ATOM 0 H ILE A 168 7.936 -1.243 -9.525 1.00 0.00 H new ATOM 0 HA ILE A 168 5.300 -1.995 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 168 5.381 0.184 -7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.379 -0.023 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.391 1.005 -8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.689 -0.765 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.650 -1.990 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.396 -1.961 -6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.374 2.281 -6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.601 2.239 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.604 1.195 -5.514 1.00 0.00 H new ATOM 1295 N ARG A 169 4.248 0.188 -9.529 1.00 0.00 N ATOM 1296 CA ARG A 169 3.607 1.092 -10.477 1.00 0.00 C ATOM 1297 C ARG A 169 3.008 2.298 -9.760 1.00 0.00 C ATOM 1298 O ARG A 169 2.585 2.201 -8.607 1.00 0.00 O ATOM 1299 CB ARG A 169 2.517 0.356 -11.259 1.00 0.00 C ATOM 1300 CG ARG A 169 2.138 1.036 -12.564 1.00 0.00 C ATOM 1301 CD ARG A 169 1.022 0.290 -13.278 1.00 0.00 C ATOM 1302 NE ARG A 169 1.539 -0.727 -14.190 1.00 0.00 N ATOM 1303 CZ ARG A 169 0.793 -1.349 -15.096 1.00 0.00 C ATOM 1304 NH1 ARG A 169 -0.496 -1.058 -15.211 1.00 0.00 N ATOM 1305 NH2 ARG A 169 1.336 -2.263 -15.890 1.00 0.00 N ATOM 0 H ARG A 169 3.675 -0.050 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 169 4.367 1.447 -11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 169 2.857 -0.657 -11.473 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.629 0.269 -10.633 1.00 0.00 H new ATOM 0 HG2 ARG A 169 1.822 2.060 -12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.012 1.093 -13.213 1.00 0.00 H new ATOM 0 HD2 ARG A 169 0.372 -0.181 -12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.411 1.000 -13.835 1.00 0.00 H new ATOM 0 HE ARG A 169 2.527 -0.973 -14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -0.916 -0.355 -14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -1.067 -1.537 -15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 169 2.327 -2.489 -15.805 1.00 0.00 H new ATOM 0 HH22 ARG A 169 0.762 -2.740 -16.585 1.00 0.00 H new ATOM 1319 N THR A 170 2.975 3.434 -10.449 1.00 0.00 N ATOM 1320 CA THR A 170 2.429 4.659 -9.877 1.00 0.00 C ATOM 1321 C THR A 170 1.360 5.259 -10.782 1.00 0.00 C ATOM 1322 O THR A 170 1.276 4.928 -11.964 1.00 0.00 O ATOM 1323 CB THR A 170 3.532 5.708 -9.640 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.344 5.838 -10.812 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.403 5.319 -8.455 1.00 0.00 C ATOM 0 H THR A 170 3.320 3.532 -11.404 1.00 0.00 H new ATOM 0 HA THR A 170 1.982 4.389 -8.920 1.00 0.00 H new ATOM 0 HB THR A 170 3.054 6.663 -9.422 1.00 0.00 H new ATOM 0 HG1 THR A 170 5.141 6.368 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 170 5.175 6.075 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.787 5.249 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.872 4.355 -8.649 1.00 0.00 H new ATOM 1333 N ASN A 171 0.543 6.144 -10.220 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.522 6.791 -10.977 1.00 0.00 C ATOM 1335 C ASN A 171 -1.195 7.880 -10.148 1.00 0.00 C ATOM 1336 O ASN A 171 -1.149 7.856 -8.918 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.560 5.758 -11.421 1.00 0.00 C ATOM 1338 CG ASN A 171 -2.639 6.363 -12.298 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -3.621 6.915 -11.801 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -2.462 6.262 -13.610 1.00 0.00 N ATOM 0 H ASN A 171 0.598 6.429 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 171 -0.078 7.253 -11.859 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -1.061 4.956 -11.965 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -2.020 5.308 -10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -3.155 6.650 -14.250 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -1.633 5.796 -13.978 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.820 8.834 -10.829 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.503 9.932 -10.155 1.00 0.00 C ATOM 1349 C TRP A 172 -3.938 9.550 -9.809 1.00 0.00 C ATOM 1350 O TRP A 172 -4.741 9.251 -10.693 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.494 11.182 -11.036 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.124 11.755 -11.239 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.288 11.527 -12.295 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.431 12.650 -10.363 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.883 12.226 -12.128 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.820 12.924 -10.951 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -0.745 13.249 -9.140 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.753 13.768 -10.355 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 0.182 14.087 -8.550 1.00 0.00 C ATOM 1360 CH2 TRP A 172 1.419 14.340 -9.158 1.00 0.00 C ATOM 0 H TRP A 172 -1.868 8.869 -11.847 1.00 0.00 H new ATOM 0 HA TRP A 172 -1.970 10.145 -9.228 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -2.925 10.937 -12.007 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.134 11.940 -10.585 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -0.514 10.891 -13.138 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.671 12.225 -12.775 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -1.696 13.060 -8.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.707 13.964 -10.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -0.051 14.555 -7.605 1.00 0.00 H new ATOM 0 HH2 TRP A 172 2.123 15.000 -8.672 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.254 9.561 -8.518 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.593 9.218 -8.057 1.00 0.00 C ATOM 1373 C ALA A 173 -6.502 10.443 -8.047 1.00 0.00 C ATOM 1374 O ALA A 173 -7.265 10.656 -7.105 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.530 8.595 -6.670 1.00 0.00 C ATOM 0 H ALA A 173 -3.601 9.804 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.014 8.491 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.537 8.344 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -4.923 7.690 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.084 9.304 -5.972 1.00 0.00 H new