USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 158 MET CE :methyl -158:sc= -1.2 (180deg=-1.79) USER MOD Set 1.2: A 161 GLN : amide:sc= -0.649 X(o=-1.9,f=-1.7) USER MOD Set 2.1: A 96 HIS : no HD1:sc= 0.827 K(o=1.5,f=-3.5!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.506 X(o=1.5,f=1.9) USER MOD Set 2.3: A 144 SER OG : rot -77:sc= 1.18 USER MOD Single : A 105 SER OG : rot 135:sc= 0.426 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 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 -103:sc= 0.445 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc=0.000922 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0.743 K(o=0.74,f=-0.0019) USER MOD Single : A 148 LYS NZ :NH3+ 148:sc= 1.88 (180deg=1.12) USER MOD Single : A 153 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.3) USER MOD Single : A 156 GLN : amide:sc= -0.647 K(o=-0.65,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 167 GLN : amide:sc= 0.0619 X(o=0.062,f=0) USER MOD Single : A 170 THR OG1 : rot 25:sc= -0.144 USER MOD Single : A 171 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.373 13.743 -5.517 1.00 0.00 N ATOM 179 CA HIS A 96 0.755 12.525 -6.020 1.00 0.00 C ATOM 180 C HIS A 96 -0.505 12.186 -5.235 1.00 0.00 C ATOM 181 O HIS A 96 -0.758 12.733 -4.160 1.00 0.00 O ATOM 182 CB HIS A 96 1.755 11.361 -5.947 1.00 0.00 C ATOM 183 CG HIS A 96 2.446 11.049 -7.249 1.00 0.00 C ATOM 184 ND1 HIS A 96 2.721 9.759 -7.706 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.908 11.962 -8.156 1.00 0.00 C ATOM 186 CE1 HIS A 96 3.338 9.932 -8.883 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.476 11.232 -9.175 1.00 0.00 N ATOM 0 HA HIS A 96 0.471 12.689 -7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.510 11.594 -5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.230 10.469 -5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.841 13.038 -8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.680 9.126 -9.515 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.924 11.614 -10.008 1.00 0.00 H new ATOM 195 N PHE A 97 -1.269 11.236 -5.767 1.00 0.00 N ATOM 196 CA PHE A 97 -2.506 10.751 -5.188 1.00 0.00 C ATOM 197 C PHE A 97 -2.241 9.299 -4.838 1.00 0.00 C ATOM 198 O PHE A 97 -2.184 8.436 -5.719 1.00 0.00 O ATOM 199 CB PHE A 97 -3.660 10.976 -6.170 1.00 0.00 C ATOM 200 CG PHE A 97 -3.695 12.409 -6.662 1.00 0.00 C ATOM 201 CD1 PHE A 97 -3.950 13.460 -5.761 1.00 0.00 C ATOM 202 CD2 PHE A 97 -3.341 12.707 -7.990 1.00 0.00 C ATOM 203 CE1 PHE A 97 -3.892 14.791 -6.199 1.00 0.00 C ATOM 204 CE2 PHE A 97 -3.315 14.038 -8.439 1.00 0.00 C ATOM 205 CZ PHE A 97 -3.593 15.080 -7.540 1.00 0.00 C ATOM 0 H PHE A 97 -1.031 10.771 -6.643 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.812 11.281 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.554 10.301 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.605 10.733 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.191 13.241 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.087 11.907 -8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.078 15.596 -5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.082 14.258 -9.470 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.577 16.105 -7.880 1.00 0.00 H new ATOM 215 N HIS A 98 -1.987 9.069 -3.553 1.00 0.00 N ATOM 216 CA HIS A 98 -1.688 7.753 -3.027 1.00 0.00 C ATOM 217 C HIS A 98 -2.990 7.073 -2.620 1.00 0.00 C ATOM 218 O HIS A 98 -3.917 7.719 -2.120 1.00 0.00 O ATOM 219 CB HIS A 98 -0.728 7.857 -1.836 1.00 0.00 C ATOM 220 CG HIS A 98 0.533 8.664 -2.059 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.824 8.165 -1.897 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.615 9.999 -2.343 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.648 9.191 -2.165 1.00 0.00 C ATOM 224 NE2 HIS A 98 1.951 10.311 -2.414 1.00 0.00 N ATOM 0 H HIS A 98 -1.984 9.803 -2.845 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.198 7.155 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.270 8.294 -0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.441 6.848 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.213 10.678 -2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.726 9.124 -2.178 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.343 11.230 -2.619 1.00 0.00 H new ATOM 232 N VAL A 99 -3.034 5.760 -2.767 1.00 0.00 N ATOM 233 CA VAL A 99 -4.156 4.903 -2.460 1.00 0.00 C ATOM 234 C VAL A 99 -3.692 3.833 -1.475 1.00 0.00 C ATOM 235 O VAL A 99 -2.544 3.387 -1.531 1.00 0.00 O ATOM 236 CB VAL A 99 -4.651 4.252 -3.771 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.799 3.299 -3.467 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.162 5.235 -4.827 1.00 0.00 C ATOM 0 H VAL A 99 -2.236 5.236 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.972 5.471 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.774 3.752 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.147 2.841 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.456 2.522 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.618 3.851 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.487 4.684 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.002 5.800 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.362 5.922 -5.102 1.00 0.00 H new ATOM 248 N PHE A 100 -4.571 3.484 -0.540 1.00 0.00 N ATOM 249 CA PHE A 100 -4.415 2.465 0.481 1.00 0.00 C ATOM 250 C PHE A 100 -5.097 1.213 -0.055 1.00 0.00 C ATOM 251 O PHE A 100 -6.205 1.295 -0.595 1.00 0.00 O ATOM 252 CB PHE A 100 -5.080 2.921 1.793 1.00 0.00 C ATOM 253 CG PHE A 100 -5.451 1.791 2.743 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.504 1.117 3.539 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.792 1.362 2.764 1.00 0.00 C ATOM 256 CE1 PHE A 100 -4.907 0.026 4.340 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.194 0.295 3.577 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.252 -0.394 4.352 1.00 0.00 C ATOM 0 H PHE A 100 -5.479 3.945 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.363 2.277 0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.405 3.604 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -5.981 3.485 1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.472 1.434 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.521 1.863 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.179 -0.490 4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.233 0.002 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.554 -1.239 4.953 1.00 0.00 H new ATOM 268 N VAL A 101 -4.432 0.073 0.096 1.00 0.00 N ATOM 269 CA VAL A 101 -4.911 -1.231 -0.317 1.00 0.00 C ATOM 270 C VAL A 101 -4.708 -2.118 0.903 1.00 0.00 C ATOM 271 O VAL A 101 -3.685 -2.019 1.586 1.00 0.00 O ATOM 272 CB VAL A 101 -4.164 -1.766 -1.558 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.954 -2.926 -2.178 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.934 -0.700 -2.634 1.00 0.00 C ATOM 0 H VAL A 101 -3.508 0.036 0.527 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.955 -1.198 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.186 -2.096 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.424 -3.301 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.058 -3.727 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.942 -2.575 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.405 -1.143 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.895 -0.311 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.339 0.114 -2.219 1.00 0.00 H new ATOM 284 N GLY A 102 -5.657 -2.992 1.203 1.00 0.00 N ATOM 285 CA GLY A 102 -5.545 -3.872 2.350 1.00 0.00 C ATOM 286 C GLY A 102 -6.209 -5.202 2.079 1.00 0.00 C ATOM 287 O GLY A 102 -6.722 -5.444 0.985 1.00 0.00 O ATOM 0 H GLY A 102 -6.515 -3.109 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.494 -4.029 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.005 -3.402 3.219 1.00 0.00 H new ATOM 291 N ASP A 103 -6.175 -6.049 3.104 1.00 0.00 N ATOM 292 CA ASP A 103 -6.739 -7.397 3.143 1.00 0.00 C ATOM 293 C ASP A 103 -6.111 -8.347 2.105 1.00 0.00 C ATOM 294 O ASP A 103 -6.582 -9.466 1.908 1.00 0.00 O ATOM 295 CB ASP A 103 -8.274 -7.318 3.111 1.00 0.00 C ATOM 296 CG ASP A 103 -8.870 -7.133 4.505 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.525 -6.157 5.217 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.689 -7.990 4.896 1.00 0.00 O ATOM 0 H ASP A 103 -5.725 -5.798 3.984 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.470 -7.866 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.580 -6.489 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.674 -8.228 2.664 1.00 0.00 H new ATOM 303 N LEU A 104 -4.990 -7.928 1.502 1.00 0.00 N ATOM 304 CA LEU A 104 -4.225 -8.644 0.484 1.00 0.00 C ATOM 305 C LEU A 104 -3.823 -10.035 0.958 1.00 0.00 C ATOM 306 O LEU A 104 -3.517 -10.228 2.141 1.00 0.00 O ATOM 307 CB LEU A 104 -2.908 -7.902 0.173 1.00 0.00 C ATOM 308 CG LEU A 104 -3.018 -6.421 -0.230 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.639 -5.761 -0.166 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.550 -6.288 -1.653 1.00 0.00 C ATOM 0 H LEU A 104 -4.572 -7.026 1.729 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.870 -8.707 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.267 -7.967 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.401 -8.435 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.704 -5.933 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.724 -4.713 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.250 -5.829 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.960 -6.270 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.620 -5.233 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.873 -6.791 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.538 -6.744 -1.716 1.00 0.00 H new ATOM 322 N SER A 105 -3.737 -10.977 0.020 1.00 0.00 N ATOM 323 CA SER A 105 -3.330 -12.336 0.327 1.00 0.00 C ATOM 324 C SER A 105 -1.866 -12.273 0.826 1.00 0.00 C ATOM 325 O SER A 105 -1.070 -11.503 0.269 1.00 0.00 O ATOM 326 CB SER A 105 -3.556 -13.198 -0.923 1.00 0.00 C ATOM 327 OG SER A 105 -3.738 -14.560 -0.622 1.00 0.00 O ATOM 0 H SER A 105 -3.947 -10.816 -0.965 1.00 0.00 H new ATOM 0 HA SER A 105 -3.914 -12.804 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.430 -12.829 -1.459 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.703 -13.090 -1.592 1.00 0.00 H new ATOM 0 HG SER A 105 -4.494 -14.911 -1.137 1.00 0.00 H new ATOM 333 N PRO A 106 -1.460 -13.086 1.822 1.00 0.00 N ATOM 334 CA PRO A 106 -0.105 -13.068 2.380 1.00 0.00 C ATOM 335 C PRO A 106 1.036 -13.304 1.394 1.00 0.00 C ATOM 336 O PRO A 106 2.177 -12.962 1.713 1.00 0.00 O ATOM 337 CB PRO A 106 -0.081 -14.103 3.513 1.00 0.00 C ATOM 338 CG PRO A 106 -1.337 -14.946 3.303 1.00 0.00 C ATOM 339 CD PRO A 106 -2.294 -14.027 2.550 1.00 0.00 C ATOM 0 HA PRO A 106 0.090 -12.054 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.819 -14.717 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.089 -13.619 4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.119 -15.847 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.762 -15.268 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.926 -14.596 1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.958 -13.506 3.240 1.00 0.00 H new ATOM 347 N GLU A 107 0.770 -13.852 0.208 1.00 0.00 N ATOM 348 CA GLU A 107 1.804 -14.105 -0.788 1.00 0.00 C ATOM 349 C GLU A 107 1.875 -13.018 -1.870 1.00 0.00 C ATOM 350 O GLU A 107 2.778 -13.085 -2.705 1.00 0.00 O ATOM 351 CB GLU A 107 1.656 -15.526 -1.348 1.00 0.00 C ATOM 352 CG GLU A 107 0.510 -15.645 -2.354 1.00 0.00 C ATOM 353 CD GLU A 107 0.268 -17.081 -2.816 1.00 0.00 C ATOM 354 OE1 GLU A 107 1.203 -17.912 -2.803 1.00 0.00 O ATOM 355 OE2 GLU A 107 -0.902 -17.427 -3.101 1.00 0.00 O ATOM 0 H GLU A 107 -0.166 -14.131 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 107 2.774 -14.048 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.589 -15.822 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.486 -16.221 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.403 -15.255 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.729 -15.022 -3.221 1.00 0.00 H new ATOM 362 N ILE A 108 0.958 -12.039 -1.886 1.00 0.00 N ATOM 363 CA ILE A 108 0.958 -10.955 -2.870 1.00 0.00 C ATOM 364 C ILE A 108 2.275 -10.184 -2.739 1.00 0.00 C ATOM 365 O ILE A 108 2.799 -9.998 -1.628 1.00 0.00 O ATOM 366 CB ILE A 108 -0.319 -10.081 -2.726 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.574 -10.867 -3.183 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.243 -8.749 -3.491 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.590 -11.169 -4.688 1.00 0.00 C ATOM 0 H ILE A 108 0.194 -11.980 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 108 0.912 -11.344 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.392 -9.837 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.627 -11.805 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.465 -10.295 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.169 -8.192 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.596 -8.162 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.103 -8.947 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.496 -11.721 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.569 -10.234 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.717 -11.767 -4.948 1.00 0.00 H new ATOM 381 N THR A 109 2.812 -9.748 -3.875 1.00 0.00 N ATOM 382 CA THR A 109 4.059 -9.004 -3.950 1.00 0.00 C ATOM 383 C THR A 109 3.797 -7.591 -4.471 1.00 0.00 C ATOM 384 O THR A 109 2.708 -7.252 -4.925 1.00 0.00 O ATOM 385 CB THR A 109 5.118 -9.821 -4.724 1.00 0.00 C ATOM 386 OG1 THR A 109 6.403 -9.249 -4.534 1.00 0.00 O ATOM 387 CG2 THR A 109 4.856 -9.948 -6.216 1.00 0.00 C ATOM 0 H THR A 109 2.381 -9.907 -4.786 1.00 0.00 H new ATOM 0 HA THR A 109 4.490 -8.859 -2.959 1.00 0.00 H new ATOM 0 HB THR A 109 5.061 -10.829 -4.312 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.070 -9.772 -5.026 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.650 -10.537 -6.676 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.898 -10.442 -6.376 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.832 -8.956 -6.667 1.00 0.00 H new ATOM 395 N THR A 110 4.799 -6.723 -4.387 1.00 0.00 N ATOM 396 CA THR A 110 4.673 -5.351 -4.858 1.00 0.00 C ATOM 397 C THR A 110 4.388 -5.344 -6.372 1.00 0.00 C ATOM 398 O THR A 110 3.633 -4.512 -6.877 1.00 0.00 O ATOM 399 CB THR A 110 5.959 -4.612 -4.473 1.00 0.00 C ATOM 400 OG1 THR A 110 6.147 -4.562 -3.060 1.00 0.00 O ATOM 401 CG2 THR A 110 5.923 -3.193 -5.018 1.00 0.00 C ATOM 0 H THR A 110 5.713 -6.949 -3.994 1.00 0.00 H new ATOM 0 HA THR A 110 3.832 -4.834 -4.395 1.00 0.00 H new ATOM 0 HB THR A 110 6.792 -5.166 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.978 -4.084 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.840 -2.673 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.837 -3.222 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.066 -2.664 -4.600 1.00 0.00 H new ATOM 409 N GLU A 111 4.977 -6.293 -7.099 1.00 0.00 N ATOM 410 CA GLU A 111 4.823 -6.454 -8.540 1.00 0.00 C ATOM 411 C GLU A 111 3.380 -6.848 -8.872 1.00 0.00 C ATOM 412 O GLU A 111 2.846 -6.425 -9.899 1.00 0.00 O ATOM 413 CB GLU A 111 5.837 -7.498 -9.032 1.00 0.00 C ATOM 414 CG GLU A 111 7.250 -7.186 -8.527 1.00 0.00 C ATOM 415 CD GLU A 111 8.314 -8.096 -9.123 1.00 0.00 C ATOM 416 OE1 GLU A 111 8.594 -7.961 -10.339 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.969 -8.829 -8.348 1.00 0.00 O ATOM 0 H GLU A 111 5.594 -6.992 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 111 5.023 -5.514 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.537 -8.488 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.836 -7.523 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.493 -6.150 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.269 -7.278 -7.441 1.00 0.00 H new ATOM 424 N ASP A 112 2.751 -7.636 -7.998 1.00 0.00 N ATOM 425 CA ASP A 112 1.369 -8.094 -8.136 1.00 0.00 C ATOM 426 C ASP A 112 0.450 -6.905 -8.017 1.00 0.00 C ATOM 427 O ASP A 112 -0.525 -6.798 -8.760 1.00 0.00 O ATOM 428 CB ASP A 112 0.959 -9.095 -7.068 1.00 0.00 C ATOM 429 CG ASP A 112 1.490 -10.506 -7.258 1.00 0.00 C ATOM 430 OD1 ASP A 112 1.808 -10.905 -8.406 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.607 -11.195 -6.225 1.00 0.00 O ATOM 0 H ASP A 112 3.202 -7.982 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 112 1.296 -8.585 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.296 -8.726 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.130 -9.137 -7.032 1.00 0.00 H new ATOM 436 N ILE A 113 0.721 -6.013 -7.064 1.00 0.00 N ATOM 437 CA ILE A 113 -0.131 -4.852 -6.889 1.00 0.00 C ATOM 438 C ILE A 113 0.000 -3.994 -8.139 1.00 0.00 C ATOM 439 O ILE A 113 -1.002 -3.503 -8.659 1.00 0.00 O ATOM 440 CB ILE A 113 0.184 -4.111 -5.584 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.055 -5.006 -4.351 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.769 -2.916 -5.526 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.289 -4.292 -3.044 1.00 0.00 C ATOM 0 H ILE A 113 1.508 -6.074 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.175 -5.145 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 113 1.232 -3.810 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.099 -5.319 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.547 -5.910 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.588 -2.350 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.600 -2.274 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.799 -3.272 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.105 -4.962 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.340 -4.002 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.332 -3.402 -2.941 1.00 0.00 H new ATOM 455 N LYS A 114 1.228 -3.814 -8.631 1.00 0.00 N ATOM 456 CA LYS A 114 1.421 -3.033 -9.840 1.00 0.00 C ATOM 457 C LYS A 114 0.552 -3.596 -10.956 1.00 0.00 C ATOM 458 O LYS A 114 -0.072 -2.800 -11.641 1.00 0.00 O ATOM 459 CB LYS A 114 2.892 -2.980 -10.243 1.00 0.00 C ATOM 460 CG LYS A 114 3.528 -1.698 -9.700 1.00 0.00 C ATOM 461 CD LYS A 114 5.045 -1.804 -9.782 1.00 0.00 C ATOM 462 CE LYS A 114 5.569 -2.550 -8.560 1.00 0.00 C ATOM 463 NZ LYS A 114 6.997 -2.902 -8.706 1.00 0.00 N ATOM 0 H LYS A 114 2.081 -4.191 -8.218 1.00 0.00 H new ATOM 0 HA LYS A 114 1.115 -2.005 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.418 -3.852 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.983 -3.011 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.182 -0.838 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.220 -1.537 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.335 -2.328 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.488 -0.809 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.435 -1.933 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.984 -3.457 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.318 -3.408 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.121 -3.511 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.558 -2.034 -8.825 1.00 0.00 H new ATOM 477 N ALA A 115 0.499 -4.920 -11.120 1.00 0.00 N ATOM 478 CA ALA A 115 -0.309 -5.568 -12.143 1.00 0.00 C ATOM 479 C ALA A 115 -1.805 -5.327 -11.914 1.00 0.00 C ATOM 480 O ALA A 115 -2.488 -4.891 -12.834 1.00 0.00 O ATOM 481 CB ALA A 115 0.007 -7.068 -12.187 1.00 0.00 C ATOM 0 H ALA A 115 1.023 -5.574 -10.538 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.057 -5.128 -13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.602 -7.546 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.062 -7.211 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.215 -7.515 -11.218 1.00 0.00 H new ATOM 487 N ALA A 116 -2.307 -5.541 -10.693 1.00 0.00 N ATOM 488 CA ALA A 116 -3.713 -5.377 -10.348 1.00 0.00 C ATOM 489 C ALA A 116 -4.280 -4.005 -10.698 1.00 0.00 C ATOM 490 O ALA A 116 -5.392 -3.905 -11.210 1.00 0.00 O ATOM 491 CB ALA A 116 -3.867 -5.626 -8.849 1.00 0.00 C ATOM 0 H ALA A 116 -1.731 -5.839 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.280 -6.095 -10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.913 -5.509 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.539 -6.638 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.259 -4.909 -8.297 1.00 0.00 H new ATOM 497 N PHE A 117 -3.539 -2.933 -10.414 1.00 0.00 N ATOM 498 CA PHE A 117 -3.997 -1.588 -10.690 1.00 0.00 C ATOM 499 C PHE A 117 -3.498 -1.070 -12.044 1.00 0.00 C ATOM 500 O PHE A 117 -3.958 -0.019 -12.484 1.00 0.00 O ATOM 501 CB PHE A 117 -3.577 -0.712 -9.501 1.00 0.00 C ATOM 502 CG PHE A 117 -4.293 -1.119 -8.220 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.813 -2.163 -7.402 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.500 -0.495 -7.874 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.525 -2.588 -6.269 1.00 0.00 C ATOM 506 CE2 PHE A 117 -6.241 -0.956 -6.772 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.751 -1.988 -5.954 1.00 0.00 C ATOM 0 H PHE A 117 -2.613 -2.981 -9.990 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.082 -1.563 -10.787 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.499 -0.789 -9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.795 0.332 -9.724 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.879 -2.645 -7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.861 0.341 -8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.129 -3.374 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.200 -0.511 -6.551 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.313 -2.315 -5.092 1.00 0.00 H new ATOM 517 N ALA A 118 -2.583 -1.768 -12.724 1.00 0.00 N ATOM 518 CA ALA A 118 -2.013 -1.371 -14.017 1.00 0.00 C ATOM 519 C ALA A 118 -3.057 -1.056 -15.086 1.00 0.00 C ATOM 520 O ALA A 118 -2.938 -0.005 -15.721 1.00 0.00 O ATOM 521 CB ALA A 118 -1.027 -2.407 -14.563 1.00 0.00 C ATOM 0 H ALA A 118 -2.207 -2.652 -12.380 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.479 -0.446 -13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.634 -2.066 -15.521 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.205 -2.534 -13.858 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.539 -3.360 -14.699 1.00 0.00 H new ATOM 527 N PRO A 119 -4.096 -1.874 -15.326 1.00 0.00 N ATOM 528 CA PRO A 119 -5.072 -1.526 -16.347 1.00 0.00 C ATOM 529 C PRO A 119 -5.861 -0.258 -16.001 1.00 0.00 C ATOM 530 O PRO A 119 -6.601 0.237 -16.857 1.00 0.00 O ATOM 531 CB PRO A 119 -5.970 -2.749 -16.489 1.00 0.00 C ATOM 532 CG PRO A 119 -5.838 -3.486 -15.166 1.00 0.00 C ATOM 533 CD PRO A 119 -4.424 -3.157 -14.713 1.00 0.00 C ATOM 0 HA PRO A 119 -4.583 -1.283 -17.290 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.004 -2.460 -16.679 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.655 -3.376 -17.324 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.580 -3.147 -14.443 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.980 -4.560 -15.289 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.366 -3.097 -13.626 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.723 -3.931 -15.027 1.00 0.00 H new ATOM 541 N PHE A 120 -5.705 0.302 -14.796 1.00 0.00 N ATOM 542 CA PHE A 120 -6.429 1.502 -14.405 1.00 0.00 C ATOM 543 C PHE A 120 -5.568 2.767 -14.546 1.00 0.00 C ATOM 544 O PHE A 120 -6.133 3.861 -14.553 1.00 0.00 O ATOM 545 CB PHE A 120 -6.977 1.334 -12.984 1.00 0.00 C ATOM 546 CG PHE A 120 -7.947 0.184 -12.786 1.00 0.00 C ATOM 547 CD1 PHE A 120 -7.476 -1.129 -12.585 1.00 0.00 C ATOM 548 CD2 PHE A 120 -9.333 0.436 -12.769 1.00 0.00 C ATOM 549 CE1 PHE A 120 -8.392 -2.182 -12.417 1.00 0.00 C ATOM 550 CE2 PHE A 120 -10.245 -0.613 -12.569 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.774 -1.924 -12.397 1.00 0.00 C ATOM 0 H PHE A 120 -5.080 -0.063 -14.077 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.270 1.635 -15.086 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.136 1.198 -12.304 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.475 2.259 -12.694 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.414 -1.326 -12.560 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.697 1.443 -12.911 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.032 -3.194 -12.303 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.306 -0.412 -12.548 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.473 -2.734 -12.249 1.00 0.00 H new ATOM 561 N GLY A 121 -4.245 2.671 -14.733 1.00 0.00 N ATOM 562 CA GLY A 121 -3.390 3.837 -14.882 1.00 0.00 C ATOM 563 C GLY A 121 -1.917 3.455 -14.860 1.00 0.00 C ATOM 564 O GLY A 121 -1.552 2.289 -15.015 1.00 0.00 O ATOM 0 H GLY A 121 -3.747 1.782 -14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.622 4.342 -15.820 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.595 4.545 -14.079 1.00 0.00 H new ATOM 568 N ARG A 122 -1.054 4.460 -14.859 1.00 0.00 N ATOM 569 CA ARG A 122 0.391 4.338 -14.780 1.00 0.00 C ATOM 570 C ARG A 122 0.742 4.661 -13.334 1.00 0.00 C ATOM 571 O ARG A 122 0.293 5.689 -12.805 1.00 0.00 O ATOM 572 CB ARG A 122 1.095 5.250 -15.778 1.00 0.00 C ATOM 573 CG ARG A 122 1.033 4.720 -17.207 1.00 0.00 C ATOM 574 CD ARG A 122 1.381 5.808 -18.231 1.00 0.00 C ATOM 575 NE ARG A 122 1.097 5.342 -19.597 1.00 0.00 N ATOM 576 CZ ARG A 122 -0.087 5.384 -20.222 1.00 0.00 C ATOM 577 NH1 ARG A 122 -1.142 5.977 -19.670 1.00 0.00 N ATOM 578 NH2 ARG A 122 -0.188 4.797 -21.407 1.00 0.00 N ATOM 0 H ARG A 122 -1.360 5.431 -14.916 1.00 0.00 H new ATOM 0 HA ARG A 122 0.729 3.337 -15.049 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.640 6.240 -15.742 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.138 5.367 -15.484 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.724 3.884 -17.315 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.033 4.336 -17.410 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.806 6.710 -18.021 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.434 6.074 -18.143 1.00 0.00 H new ATOM 0 HE ARG A 122 1.879 4.948 -20.120 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.060 6.413 -18.751 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.033 5.996 -20.165 1.00 0.00 H new ATOM 0 HH21 ARG A 122 0.622 4.332 -21.816 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.076 4.811 -21.909 1.00 0.00 H new ATOM 592 N ILE A 123 1.526 3.794 -12.713 1.00 0.00 N ATOM 593 CA ILE A 123 1.973 3.869 -11.329 1.00 0.00 C ATOM 594 C ILE A 123 3.405 4.415 -11.285 1.00 0.00 C ATOM 595 O ILE A 123 4.142 4.365 -12.283 1.00 0.00 O ATOM 596 CB ILE A 123 1.850 2.446 -10.706 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.476 1.803 -11.019 1.00 0.00 C ATOM 598 CG2 ILE A 123 2.074 2.424 -9.187 1.00 0.00 C ATOM 599 CD1 ILE A 123 0.266 0.345 -10.599 1.00 0.00 C ATOM 0 H ILE A 123 1.890 2.969 -13.190 1.00 0.00 H new ATOM 0 HA ILE A 123 1.358 4.552 -10.743 1.00 0.00 H new ATOM 0 HB ILE A 123 2.646 1.865 -11.171 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.295 2.406 -10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.310 1.871 -12.094 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.974 1.403 -8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 123 3.074 2.795 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.333 3.059 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.738 0.026 -10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 123 1.000 -0.287 -11.099 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.386 0.256 -9.519 1.00 0.00 H new ATOM 611 N SER A 124 3.805 4.910 -10.113 1.00 0.00 N ATOM 612 CA SER A 124 5.127 5.449 -9.828 1.00 0.00 C ATOM 613 C SER A 124 5.645 4.719 -8.591 1.00 0.00 C ATOM 614 O SER A 124 6.611 3.964 -8.684 1.00 0.00 O ATOM 615 CB SER A 124 5.043 6.965 -9.643 1.00 0.00 C ATOM 616 OG SER A 124 6.326 7.556 -9.560 1.00 0.00 O ATOM 0 H SER A 124 3.186 4.946 -9.303 1.00 0.00 H new ATOM 0 HA SER A 124 5.824 5.289 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.494 7.403 -10.477 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.480 7.190 -8.737 1.00 0.00 H new ATOM 0 HG SER A 124 6.233 8.525 -9.444 1.00 0.00 H new ATOM 622 N ASP A 125 5.044 4.976 -7.430 1.00 0.00 N ATOM 623 CA ASP A 125 5.378 4.360 -6.148 1.00 0.00 C ATOM 624 C ASP A 125 4.333 3.273 -5.892 1.00 0.00 C ATOM 625 O ASP A 125 3.157 3.468 -6.197 1.00 0.00 O ATOM 626 CB ASP A 125 5.457 5.423 -5.040 1.00 0.00 C ATOM 627 CG ASP A 125 5.321 4.813 -3.650 1.00 0.00 C ATOM 628 OD1 ASP A 125 6.300 4.196 -3.174 1.00 0.00 O ATOM 629 OD2 ASP A 125 4.238 4.921 -3.038 1.00 0.00 O ATOM 0 H ASP A 125 4.280 5.647 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 125 6.365 3.898 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.408 5.951 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.670 6.162 -5.190 1.00 0.00 H new ATOM 634 N ALA A 126 4.754 2.111 -5.398 1.00 0.00 N ATOM 635 CA ALA A 126 3.916 0.956 -5.097 1.00 0.00 C ATOM 636 C ALA A 126 4.704 0.053 -4.157 1.00 0.00 C ATOM 637 O ALA A 126 5.894 -0.168 -4.408 1.00 0.00 O ATOM 638 CB ALA A 126 3.641 0.192 -6.397 1.00 0.00 C ATOM 0 H ALA A 126 5.738 1.943 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 126 2.973 1.265 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 126 3.015 -0.674 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 126 3.128 0.846 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.584 -0.140 -6.831 1.00 0.00 H new ATOM 644 N ARG A 127 4.117 -0.427 -3.061 1.00 0.00 N ATOM 645 CA ARG A 127 4.790 -1.328 -2.132 1.00 0.00 C ATOM 646 C ARG A 127 3.798 -2.081 -1.260 1.00 0.00 C ATOM 647 O ARG A 127 2.678 -1.632 -1.008 1.00 0.00 O ATOM 648 CB ARG A 127 5.782 -0.562 -1.242 1.00 0.00 C ATOM 649 CG ARG A 127 5.106 0.376 -0.228 1.00 0.00 C ATOM 650 CD ARG A 127 5.175 -0.127 1.216 1.00 0.00 C ATOM 651 NE ARG A 127 6.559 -0.084 1.698 1.00 0.00 N ATOM 652 CZ ARG A 127 7.212 1.013 2.098 1.00 0.00 C ATOM 653 NH1 ARG A 127 6.582 2.174 2.266 1.00 0.00 N ATOM 654 NH2 ARG A 127 8.519 0.910 2.287 1.00 0.00 N ATOM 0 H ARG A 127 3.159 -0.200 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 127 5.337 -2.053 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.402 -1.279 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.449 0.023 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.577 1.358 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.061 0.507 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.540 0.487 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.793 -1.146 1.273 1.00 0.00 H new ATOM 0 HE ARG A 127 7.068 -0.967 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.580 2.241 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.102 2.997 2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.989 0.019 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.056 1.722 2.592 1.00 0.00 H new ATOM 668 N VAL A 128 4.257 -3.225 -0.777 1.00 0.00 N ATOM 669 CA VAL A 128 3.549 -4.109 0.132 1.00 0.00 C ATOM 670 C VAL A 128 4.199 -3.745 1.461 1.00 0.00 C ATOM 671 O VAL A 128 5.433 -3.751 1.564 1.00 0.00 O ATOM 672 CB VAL A 128 3.776 -5.592 -0.233 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.341 -6.563 0.873 1.00 0.00 C ATOM 674 CG2 VAL A 128 3.003 -5.970 -1.497 1.00 0.00 C ATOM 0 H VAL A 128 5.182 -3.579 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 128 2.465 -3.994 0.122 1.00 0.00 H new ATOM 0 HB VAL A 128 4.852 -5.685 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.528 -7.588 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.908 -6.358 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.277 -6.434 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.180 -7.020 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.937 -5.810 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.340 -5.350 -2.328 1.00 0.00 H new ATOM 684 N VAL A 129 3.414 -3.301 2.437 1.00 0.00 N ATOM 685 CA VAL A 129 3.953 -2.944 3.740 1.00 0.00 C ATOM 686 C VAL A 129 4.521 -4.236 4.339 1.00 0.00 C ATOM 687 O VAL A 129 3.968 -5.318 4.120 1.00 0.00 O ATOM 688 CB VAL A 129 2.836 -2.318 4.604 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.359 -1.848 5.970 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.240 -1.082 3.910 1.00 0.00 C ATOM 0 H VAL A 129 2.405 -3.181 2.349 1.00 0.00 H new ATOM 0 HA VAL A 129 4.744 -2.197 3.681 1.00 0.00 H new ATOM 0 HB VAL A 129 2.087 -3.098 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.540 -1.415 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.773 -2.698 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.136 -1.098 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.455 -0.657 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.023 -0.339 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.819 -1.373 2.947 1.00 0.00 H new ATOM 700 N LYS A 130 5.625 -4.160 5.083 1.00 0.00 N ATOM 701 CA LYS A 130 6.233 -5.326 5.715 1.00 0.00 C ATOM 702 C LYS A 130 6.724 -4.928 7.086 1.00 0.00 C ATOM 703 O LYS A 130 7.127 -3.783 7.301 1.00 0.00 O ATOM 704 CB LYS A 130 7.397 -5.900 4.893 1.00 0.00 C ATOM 705 CG LYS A 130 6.917 -6.719 3.687 1.00 0.00 C ATOM 706 CD LYS A 130 8.062 -7.003 2.724 1.00 0.00 C ATOM 707 CE LYS A 130 7.711 -8.187 1.816 1.00 0.00 C ATOM 708 NZ LYS A 130 8.808 -8.543 0.893 1.00 0.00 N ATOM 0 H LYS A 130 6.121 -3.287 5.263 1.00 0.00 H new ATOM 0 HA LYS A 130 5.477 -6.108 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 130 8.029 -5.083 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 130 8.014 -6.530 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.486 -7.659 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.127 -6.177 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.265 -6.119 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.971 -7.222 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.465 -9.052 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.820 -7.944 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.518 -9.349 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.027 -7.729 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.653 -8.802 1.441 1.00 0.00 H new ATOM 722 N ASP A 131 6.695 -5.887 8.001 1.00 0.00 N ATOM 723 CA ASP A 131 7.133 -5.725 9.376 1.00 0.00 C ATOM 724 C ASP A 131 8.601 -5.318 9.362 1.00 0.00 C ATOM 725 O ASP A 131 9.431 -6.041 8.804 1.00 0.00 O ATOM 726 CB ASP A 131 6.960 -7.063 10.100 1.00 0.00 C ATOM 727 CG ASP A 131 7.386 -7.053 11.571 1.00 0.00 C ATOM 728 OD1 ASP A 131 8.002 -6.077 12.048 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.098 -8.058 12.262 1.00 0.00 O ATOM 0 H ASP A 131 6.355 -6.827 7.798 1.00 0.00 H new ATOM 0 HA ASP A 131 6.549 -4.961 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.913 -7.360 10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.537 -7.823 9.574 1.00 0.00 H new ATOM 734 N MET A 132 8.934 -4.171 9.945 1.00 0.00 N ATOM 735 CA MET A 132 10.298 -3.665 10.015 1.00 0.00 C ATOM 736 C MET A 132 11.270 -4.613 10.717 1.00 0.00 C ATOM 737 O MET A 132 12.468 -4.512 10.468 1.00 0.00 O ATOM 738 CB MET A 132 10.298 -2.309 10.734 1.00 0.00 C ATOM 739 CG MET A 132 9.846 -2.370 12.201 1.00 0.00 C ATOM 740 SD MET A 132 9.555 -0.746 12.946 1.00 0.00 S ATOM 741 CE MET A 132 11.259 -0.172 13.171 1.00 0.00 C ATOM 0 H MET A 132 8.251 -3.557 10.389 1.00 0.00 H new ATOM 0 HA MET A 132 10.649 -3.567 8.988 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.303 -1.890 10.693 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.645 -1.624 10.193 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.930 -2.958 12.265 1.00 0.00 H new ATOM 0 HG3 MET A 132 10.603 -2.896 12.783 1.00 0.00 H new ATOM 0 HE1 MET A 132 11.252 0.820 13.622 1.00 0.00 H new ATOM 0 HE2 MET A 132 11.793 -0.864 13.823 1.00 0.00 H new ATOM 0 HE3 MET A 132 11.758 -0.127 12.203 1.00 0.00 H new ATOM 751 N ALA A 133 10.791 -5.522 11.569 1.00 0.00 N ATOM 752 CA ALA A 133 11.637 -6.442 12.314 1.00 0.00 C ATOM 753 C ALA A 133 11.658 -7.869 11.779 1.00 0.00 C ATOM 754 O ALA A 133 12.479 -8.651 12.253 1.00 0.00 O ATOM 755 CB ALA A 133 11.150 -6.452 13.762 1.00 0.00 C ATOM 0 H ALA A 133 9.796 -5.637 11.759 1.00 0.00 H new ATOM 0 HA ALA A 133 12.662 -6.083 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 133 11.766 -7.134 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 133 11.225 -5.447 14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 133 10.112 -6.782 13.794 1.00 0.00 H new ATOM 761 N THR A 134 10.791 -8.239 10.832 1.00 0.00 N ATOM 762 CA THR A 134 10.773 -9.611 10.312 1.00 0.00 C ATOM 763 C THR A 134 10.749 -9.671 8.789 1.00 0.00 C ATOM 764 O THR A 134 11.120 -10.685 8.202 1.00 0.00 O ATOM 765 CB THR A 134 9.607 -10.403 10.933 1.00 0.00 C ATOM 766 OG1 THR A 134 8.331 -9.937 10.542 1.00 0.00 O ATOM 767 CG2 THR A 134 9.635 -10.349 12.454 1.00 0.00 C ATOM 0 H THR A 134 10.100 -7.617 10.413 1.00 0.00 H new ATOM 0 HA THR A 134 11.710 -10.081 10.610 1.00 0.00 H new ATOM 0 HB THR A 134 9.754 -11.418 10.564 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.938 -9.411 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.797 -10.919 12.854 1.00 0.00 H new ATOM 0 HG22 THR A 134 10.570 -10.776 12.816 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.558 -9.313 12.783 1.00 0.00 H new ATOM 775 N GLY A 135 10.337 -8.583 8.142 1.00 0.00 N ATOM 776 CA GLY A 135 10.239 -8.475 6.685 1.00 0.00 C ATOM 777 C GLY A 135 9.023 -9.215 6.116 1.00 0.00 C ATOM 778 O GLY A 135 8.884 -9.348 4.897 1.00 0.00 O ATOM 0 H GLY A 135 10.055 -7.731 8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.182 -7.423 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.147 -8.876 6.233 1.00 0.00 H new ATOM 782 N LYS A 136 8.150 -9.735 6.981 1.00 0.00 N ATOM 783 CA LYS A 136 6.957 -10.467 6.576 1.00 0.00 C ATOM 784 C LYS A 136 5.918 -9.466 6.104 1.00 0.00 C ATOM 785 O LYS A 136 5.896 -8.336 6.600 1.00 0.00 O ATOM 786 CB LYS A 136 6.420 -11.309 7.738 1.00 0.00 C ATOM 787 CG LYS A 136 7.373 -12.456 8.098 1.00 0.00 C ATOM 788 CD LYS A 136 6.731 -13.493 9.027 1.00 0.00 C ATOM 789 CE LYS A 136 6.246 -12.887 10.352 1.00 0.00 C ATOM 790 NZ LYS A 136 6.018 -13.937 11.366 1.00 0.00 N ATOM 0 H LYS A 136 8.256 -9.657 7.992 1.00 0.00 H new ATOM 0 HA LYS A 136 7.199 -11.152 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.272 -10.672 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.445 -11.717 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.702 -12.949 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.262 -12.047 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.888 -13.959 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.453 -14.282 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.984 -12.175 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.323 -12.332 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.691 -13.500 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 5.297 -14.602 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.906 -14.450 11.541 1.00 0.00 H new ATOM 804 N SER A 137 5.073 -9.869 5.156 1.00 0.00 N ATOM 805 CA SER A 137 4.031 -9.011 4.623 1.00 0.00 C ATOM 806 C SER A 137 3.123 -8.558 5.755 1.00 0.00 C ATOM 807 O SER A 137 2.674 -9.374 6.566 1.00 0.00 O ATOM 808 CB SER A 137 3.211 -9.744 3.553 1.00 0.00 C ATOM 809 OG SER A 137 2.267 -8.849 3.000 1.00 0.00 O ATOM 0 H SER A 137 5.096 -10.800 4.740 1.00 0.00 H new ATOM 0 HA SER A 137 4.497 -8.143 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.868 -10.127 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.703 -10.603 3.991 1.00 0.00 H new ATOM 0 HG SER A 137 1.741 -9.311 2.314 1.00 0.00 H new ATOM 815 N LYS A 138 2.888 -7.250 5.834 1.00 0.00 N ATOM 816 CA LYS A 138 1.987 -6.675 6.838 1.00 0.00 C ATOM 817 C LYS A 138 0.533 -6.887 6.407 1.00 0.00 C ATOM 818 O LYS A 138 -0.369 -6.681 7.213 1.00 0.00 O ATOM 819 CB LYS A 138 2.292 -5.188 7.061 1.00 0.00 C ATOM 820 CG LYS A 138 3.325 -4.979 8.179 1.00 0.00 C ATOM 821 CD LYS A 138 2.637 -4.443 9.437 1.00 0.00 C ATOM 822 CE LYS A 138 3.605 -4.494 10.615 1.00 0.00 C ATOM 823 NZ LYS A 138 2.976 -4.060 11.876 1.00 0.00 N ATOM 0 H LYS A 138 3.311 -6.562 5.211 1.00 0.00 H new ATOM 0 HA LYS A 138 2.145 -7.183 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.665 -4.751 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.371 -4.662 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.826 -5.921 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.093 -4.280 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.304 -3.418 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.749 -5.035 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.980 -5.511 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.465 -3.859 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.672 -4.112 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.641 -3.081 11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.171 -4.681 12.094 1.00 0.00 H new ATOM 837 N GLY A 139 0.297 -7.281 5.154 1.00 0.00 N ATOM 838 CA GLY A 139 -1.024 -7.549 4.606 1.00 0.00 C ATOM 839 C GLY A 139 -1.628 -6.371 3.862 1.00 0.00 C ATOM 840 O GLY A 139 -2.581 -6.576 3.109 1.00 0.00 O ATOM 0 H GLY A 139 1.046 -7.425 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.961 -8.401 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.693 -7.836 5.418 1.00 0.00 H new ATOM 844 N TYR A 140 -1.211 -5.145 4.177 1.00 0.00 N ATOM 845 CA TYR A 140 -1.665 -3.935 3.506 1.00 0.00 C ATOM 846 C TYR A 140 -0.579 -3.456 2.534 1.00 0.00 C ATOM 847 O TYR A 140 0.569 -3.905 2.599 1.00 0.00 O ATOM 848 CB TYR A 140 -2.235 -2.904 4.493 1.00 0.00 C ATOM 849 CG TYR A 140 -1.403 -2.533 5.706 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.289 -3.409 6.809 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.829 -1.252 5.774 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.591 -3.013 7.967 1.00 0.00 C ATOM 853 CE2 TYR A 140 -0.151 -0.846 6.934 1.00 0.00 C ATOM 854 CZ TYR A 140 -0.034 -1.718 8.036 1.00 0.00 C ATOM 855 OH TYR A 140 0.618 -1.299 9.150 1.00 0.00 O ATOM 0 H TYR A 140 -0.536 -4.966 4.920 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.533 -4.138 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.439 -1.989 3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.194 -3.280 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.740 -4.389 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.910 -0.579 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.483 -3.696 8.797 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.284 0.141 6.983 1.00 0.00 H new ATOM 0 HH TYR A 140 0.936 -0.381 9.017 1.00 0.00 H new ATOM 865 N GLY A 141 -0.913 -2.535 1.638 1.00 0.00 N ATOM 866 CA GLY A 141 -0.019 -1.972 0.644 1.00 0.00 C ATOM 867 C GLY A 141 -0.511 -0.594 0.219 1.00 0.00 C ATOM 868 O GLY A 141 -1.582 -0.149 0.637 1.00 0.00 O ATOM 0 H GLY A 141 -1.855 -2.146 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.989 -1.897 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 141 0.035 -2.631 -0.223 1.00 0.00 H new ATOM 872 N PHE A 142 0.282 0.089 -0.601 1.00 0.00 N ATOM 873 CA PHE A 142 -0.041 1.416 -1.113 1.00 0.00 C ATOM 874 C PHE A 142 0.358 1.495 -2.585 1.00 0.00 C ATOM 875 O PHE A 142 1.228 0.740 -3.029 1.00 0.00 O ATOM 876 CB PHE A 142 0.672 2.497 -0.287 1.00 0.00 C ATOM 877 CG PHE A 142 0.201 2.641 1.151 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.915 3.445 1.456 1.00 0.00 C ATOM 879 CD2 PHE A 142 0.905 2.014 2.197 1.00 0.00 C ATOM 880 CE1 PHE A 142 -1.329 3.612 2.790 1.00 0.00 C ATOM 881 CE2 PHE A 142 0.495 2.187 3.532 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.624 2.982 3.829 1.00 0.00 C ATOM 0 H PHE A 142 1.178 -0.268 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.114 1.591 -1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.740 2.279 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.545 3.456 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.456 3.936 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.763 1.398 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.189 4.225 3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.042 1.707 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.942 3.109 4.853 1.00 0.00 H new ATOM 892 N VAL A 143 -0.261 2.410 -3.332 1.00 0.00 N ATOM 893 CA VAL A 143 -0.042 2.649 -4.759 1.00 0.00 C ATOM 894 C VAL A 143 -0.170 4.167 -4.980 1.00 0.00 C ATOM 895 O VAL A 143 -1.113 4.770 -4.474 1.00 0.00 O ATOM 896 CB VAL A 143 -1.095 1.827 -5.551 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.035 2.023 -7.067 1.00 0.00 C ATOM 898 CG2 VAL A 143 -0.951 0.310 -5.329 1.00 0.00 C ATOM 0 H VAL A 143 -0.964 3.036 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 143 0.941 2.332 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.038 2.208 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.803 1.414 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.205 3.073 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.054 1.722 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -1.712 -0.216 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 143 0.038 -0.013 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.077 0.084 -4.270 1.00 0.00 H new ATOM 908 N SER A 144 0.746 4.795 -5.718 1.00 0.00 N ATOM 909 CA SER A 144 0.791 6.222 -6.027 1.00 0.00 C ATOM 910 C SER A 144 0.617 6.391 -7.538 1.00 0.00 C ATOM 911 O SER A 144 1.351 5.767 -8.317 1.00 0.00 O ATOM 912 CB SER A 144 2.129 6.769 -5.532 1.00 0.00 C ATOM 913 OG SER A 144 2.147 8.172 -5.405 1.00 0.00 O ATOM 0 H SER A 144 1.524 4.288 -6.141 1.00 0.00 H new ATOM 0 HA SER A 144 -0.007 6.777 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.361 6.321 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.916 6.464 -6.222 1.00 0.00 H new ATOM 0 HG SER A 144 2.247 8.579 -6.291 1.00 0.00 H new ATOM 919 N PHE A 145 -0.306 7.266 -7.947 1.00 0.00 N ATOM 920 CA PHE A 145 -0.634 7.520 -9.345 1.00 0.00 C ATOM 921 C PHE A 145 -0.292 8.916 -9.856 1.00 0.00 C ATOM 922 O PHE A 145 -0.281 9.905 -9.115 1.00 0.00 O ATOM 923 CB PHE A 145 -2.147 7.346 -9.507 1.00 0.00 C ATOM 924 CG PHE A 145 -2.646 5.934 -9.303 1.00 0.00 C ATOM 925 CD1 PHE A 145 -2.910 5.446 -8.009 1.00 0.00 C ATOM 926 CD2 PHE A 145 -2.896 5.125 -10.424 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.427 4.151 -7.841 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.462 3.855 -10.252 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.697 3.354 -8.964 1.00 0.00 C ATOM 0 H PHE A 145 -0.856 7.828 -7.297 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.032 6.819 -9.924 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.652 8.001 -8.798 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.432 7.677 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -2.715 6.067 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.653 5.481 -11.414 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.617 3.769 -6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.718 3.259 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.086 2.355 -8.836 1.00 0.00 H new ATOM 939 N PHE A 146 -0.102 8.994 -11.179 1.00 0.00 N ATOM 940 CA PHE A 146 0.205 10.240 -11.863 1.00 0.00 C ATOM 941 C PHE A 146 -1.014 11.172 -11.910 1.00 0.00 C ATOM 942 O PHE A 146 -0.795 12.384 -12.013 1.00 0.00 O ATOM 943 CB PHE A 146 0.672 10.008 -13.311 1.00 0.00 C ATOM 944 CG PHE A 146 1.940 9.205 -13.548 1.00 0.00 C ATOM 945 CD1 PHE A 146 3.061 9.311 -12.698 1.00 0.00 C ATOM 946 CD2 PHE A 146 2.029 8.411 -14.706 1.00 0.00 C ATOM 947 CE1 PHE A 146 4.231 8.579 -12.975 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.200 7.689 -14.985 1.00 0.00 C ATOM 949 CZ PHE A 146 4.290 7.744 -14.105 1.00 0.00 C ATOM 0 H PHE A 146 -0.159 8.187 -11.801 1.00 0.00 H new ATOM 0 HA PHE A 146 1.010 10.699 -11.289 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.139 9.511 -13.844 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.808 10.985 -13.775 1.00 0.00 H new ATOM 0 HD1 PHE A 146 3.021 9.956 -11.832 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.191 8.357 -15.385 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.085 8.659 -12.319 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.262 7.089 -15.881 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.171 7.148 -14.294 1.00 0.00 H new ATOM 959 N ASN A 147 -2.256 10.675 -11.804 1.00 0.00 N ATOM 960 CA ASN A 147 -3.473 11.492 -11.849 1.00 0.00 C ATOM 961 C ASN A 147 -4.451 11.071 -10.767 1.00 0.00 C ATOM 962 O ASN A 147 -4.439 9.928 -10.314 1.00 0.00 O ATOM 963 CB ASN A 147 -4.197 11.361 -13.195 1.00 0.00 C ATOM 964 CG ASN A 147 -3.286 11.579 -14.380 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.968 12.719 -14.713 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.818 10.516 -15.003 1.00 0.00 N ATOM 0 H ASN A 147 -2.443 9.680 -11.683 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.152 12.523 -11.699 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.644 10.370 -13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -5.013 12.082 -13.234 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.173 10.626 -15.785 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.101 9.583 -14.703 1.00 0.00 H new ATOM 973 N LYS A 148 -5.332 11.996 -10.387 1.00 0.00 N ATOM 974 CA LYS A 148 -6.347 11.771 -9.365 1.00 0.00 C ATOM 975 C LYS A 148 -7.371 10.757 -9.854 1.00 0.00 C ATOM 976 O LYS A 148 -7.713 9.828 -9.133 1.00 0.00 O ATOM 977 CB LYS A 148 -7.011 13.119 -9.042 1.00 0.00 C ATOM 978 CG LYS A 148 -8.038 13.062 -7.903 1.00 0.00 C ATOM 979 CD LYS A 148 -7.357 12.836 -6.552 1.00 0.00 C ATOM 980 CE LYS A 148 -8.366 13.075 -5.425 1.00 0.00 C ATOM 981 NZ LYS A 148 -7.873 12.651 -4.097 1.00 0.00 N ATOM 0 H LYS A 148 -5.359 12.934 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.892 11.365 -8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.236 13.839 -8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.503 13.493 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.606 13.992 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.750 12.259 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -6.966 11.820 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.508 13.511 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -8.616 14.135 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.287 12.537 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -8.275 13.269 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.161 11.668 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -6.835 12.717 -4.075 1.00 0.00 H new ATOM 995 N TRP A 149 -7.826 10.942 -11.088 1.00 0.00 N ATOM 996 CA TRP A 149 -8.818 10.119 -11.774 1.00 0.00 C ATOM 997 C TRP A 149 -8.390 8.660 -11.812 1.00 0.00 C ATOM 998 O TRP A 149 -9.231 7.789 -11.612 1.00 0.00 O ATOM 999 CB TRP A 149 -9.071 10.641 -13.202 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.633 12.051 -13.463 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.683 12.415 -14.348 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -8.983 13.255 -12.723 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.435 13.769 -14.225 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.194 14.332 -13.220 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -9.812 13.514 -11.615 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.249 15.615 -12.655 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -9.847 14.784 -11.016 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.081 15.840 -11.543 1.00 0.00 C ATOM 0 H TRP A 149 -7.495 11.712 -11.669 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.749 10.186 -11.211 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.559 9.984 -13.906 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.138 10.566 -13.414 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.192 11.752 -15.045 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.774 14.287 -14.804 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.431 12.723 -11.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -7.660 16.420 -13.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -10.465 14.951 -10.146 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.132 16.821 -11.095 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.094 8.403 -12.039 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.576 7.041 -12.102 1.00 0.00 C ATOM 1021 C ASP A 150 -6.910 6.345 -10.780 1.00 0.00 C ATOM 1022 O ASP A 150 -7.489 5.260 -10.759 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.047 6.959 -12.272 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.422 7.559 -13.524 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -4.925 7.357 -14.648 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.361 8.218 -13.379 1.00 0.00 O ATOM 0 H ASP A 150 -6.389 9.126 -12.181 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.035 6.575 -12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.591 7.444 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.765 5.907 -12.232 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.528 6.981 -9.667 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.741 6.488 -8.318 1.00 0.00 C ATOM 1033 C ALA A 151 -8.231 6.331 -8.018 1.00 0.00 C ATOM 1034 O ALA A 151 -8.650 5.254 -7.601 1.00 0.00 O ATOM 1035 CB ALA A 151 -6.073 7.439 -7.317 1.00 0.00 C ATOM 0 H ALA A 151 -6.048 7.881 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.288 5.501 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.232 7.071 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -5.004 7.490 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.508 8.434 -7.414 1.00 0.00 H new ATOM 1041 N GLU A 152 -9.020 7.392 -8.218 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.461 7.408 -7.969 1.00 0.00 C ATOM 1043 C GLU A 152 -11.148 6.221 -8.631 1.00 0.00 C ATOM 1044 O GLU A 152 -11.905 5.504 -7.978 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.081 8.731 -8.454 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.740 9.862 -7.474 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.457 11.197 -7.662 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.198 11.396 -8.651 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.262 12.098 -6.808 1.00 0.00 O ATOM 0 H GLU A 152 -8.664 8.282 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.615 7.327 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.706 8.975 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.163 8.626 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.949 9.507 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.667 10.045 -7.532 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.858 5.990 -9.910 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.416 4.901 -10.691 1.00 0.00 C ATOM 1058 C ASN A 153 -11.220 3.572 -9.960 1.00 0.00 C ATOM 1059 O ASN A 153 -12.195 2.884 -9.655 1.00 0.00 O ATOM 1060 CB ASN A 153 -10.732 4.928 -12.072 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.137 3.823 -13.034 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -11.974 2.971 -12.762 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -10.534 3.785 -14.212 1.00 0.00 N ATOM 0 H ASN A 153 -10.211 6.573 -10.441 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.492 5.015 -10.826 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.943 5.888 -12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -9.653 4.877 -11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -10.768 3.052 -14.881 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -9.835 4.489 -14.450 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.973 3.219 -9.643 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.692 1.963 -8.963 1.00 0.00 C ATOM 1072 C ALA A 154 -10.275 1.889 -7.556 1.00 0.00 C ATOM 1073 O ALA A 154 -10.772 0.821 -7.220 1.00 0.00 O ATOM 1074 CB ALA A 154 -8.203 1.674 -8.911 1.00 0.00 C ATOM 0 H ALA A 154 -9.149 3.785 -9.847 1.00 0.00 H new ATOM 0 HA ALA A 154 -10.188 1.200 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -8.034 0.728 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.809 1.610 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.695 2.475 -8.374 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.251 2.944 -6.730 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.823 2.880 -5.376 1.00 0.00 C ATOM 1082 C ILE A 155 -12.258 2.330 -5.418 1.00 0.00 C ATOM 1083 O ILE A 155 -12.711 1.639 -4.499 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.770 4.275 -4.708 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.305 4.624 -4.389 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.619 4.293 -3.426 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.099 6.069 -3.918 1.00 0.00 C ATOM 0 H ILE A 155 -9.844 3.847 -6.973 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.227 2.194 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.180 5.019 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.940 3.945 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.699 4.452 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.569 5.282 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.655 4.058 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.236 3.551 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -8.042 6.238 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.432 6.756 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.677 6.241 -3.010 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.977 2.668 -6.480 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.339 2.236 -6.686 1.00 0.00 C ATOM 1101 C GLN A 156 -14.385 0.802 -7.228 1.00 0.00 C ATOM 1102 O GLN A 156 -14.888 -0.100 -6.563 1.00 0.00 O ATOM 1103 CB GLN A 156 -15.038 3.209 -7.654 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.979 4.691 -7.238 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.409 5.608 -8.373 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -16.419 6.305 -8.279 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -14.710 5.562 -9.488 1.00 0.00 N ATOM 0 H GLN A 156 -12.618 3.259 -7.230 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.863 2.241 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.586 3.105 -8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -16.083 2.915 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.624 4.853 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -13.964 4.943 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -13.876 4.977 -9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -15.002 6.111 -10.296 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.840 0.594 -8.426 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.845 -0.674 -9.143 1.00 0.00 C ATOM 1118 C GLN A 157 -13.071 -1.808 -8.480 1.00 0.00 C ATOM 1119 O GLN A 157 -13.589 -2.922 -8.382 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.380 -0.433 -10.589 1.00 0.00 C ATOM 1121 CG GLN A 157 -14.212 0.686 -11.249 1.00 0.00 C ATOM 1122 CD GLN A 157 -14.333 0.652 -12.766 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -13.718 -0.141 -13.477 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -15.148 1.539 -13.307 1.00 0.00 N ATOM 0 H GLN A 157 -13.365 1.335 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.874 -1.033 -9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.324 -0.161 -10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.476 -1.353 -11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.217 0.655 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.777 1.644 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.656 2.194 -12.713 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.270 1.569 -14.319 1.00 0.00 H new ATOM 1133 N MET A 158 -11.825 -1.573 -8.078 1.00 0.00 N ATOM 1134 CA MET A 158 -11.002 -2.598 -7.440 1.00 0.00 C ATOM 1135 C MET A 158 -11.535 -2.960 -6.056 1.00 0.00 C ATOM 1136 O MET A 158 -11.410 -4.121 -5.652 1.00 0.00 O ATOM 1137 CB MET A 158 -9.540 -2.142 -7.357 1.00 0.00 C ATOM 1138 CG MET A 158 -8.888 -2.106 -8.744 1.00 0.00 C ATOM 1139 SD MET A 158 -8.698 -3.723 -9.536 1.00 0.00 S ATOM 1140 CE MET A 158 -7.774 -4.593 -8.255 1.00 0.00 C ATOM 0 H MET A 158 -11.359 -0.672 -8.184 1.00 0.00 H new ATOM 0 HA MET A 158 -11.050 -3.495 -8.057 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.491 -1.152 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.982 -2.817 -6.708 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.485 -1.467 -9.394 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.905 -1.642 -8.656 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.242 -5.435 -8.698 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.058 -3.911 -7.797 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.463 -4.960 -7.495 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.150 -2.008 -5.350 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.711 -2.218 -4.023 1.00 0.00 C ATOM 1152 C GLY A 159 -13.849 -3.229 -4.057 1.00 0.00 C ATOM 1153 O GLY A 159 -15.004 -2.850 -4.256 1.00 0.00 O ATOM 0 H GLY A 159 -12.272 -1.056 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.931 -2.568 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.075 -1.271 -3.626 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.547 -4.503 -3.829 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.506 -5.601 -3.832 1.00 0.00 C ATOM 1159 C GLY A 160 -13.947 -6.839 -4.526 1.00 0.00 C ATOM 1160 O GLY A 160 -14.493 -7.934 -4.345 1.00 0.00 O ATOM 0 H GLY A 160 -12.595 -4.810 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.776 -5.850 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.420 -5.284 -4.334 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.889 -6.693 -5.335 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.297 -7.821 -6.032 1.00 0.00 C ATOM 1166 C GLN A 161 -11.525 -8.703 -5.066 1.00 0.00 C ATOM 1167 O GLN A 161 -11.274 -8.353 -3.915 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.485 -7.358 -7.266 1.00 0.00 C ATOM 1169 CG GLN A 161 -9.954 -7.507 -7.329 1.00 0.00 C ATOM 1170 CD GLN A 161 -9.375 -7.384 -8.745 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -8.256 -7.831 -8.997 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -10.084 -6.792 -9.695 1.00 0.00 N ATOM 0 H GLN A 161 -12.432 -5.800 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.090 -8.449 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -11.890 -7.889 -8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.706 -6.300 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -9.498 -6.748 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -9.676 -8.477 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -11.011 -6.422 -9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -9.703 -6.706 -10.637 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.183 -9.869 -5.581 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.423 -10.927 -4.949 1.00 0.00 C ATOM 1183 C TRP A 162 -9.060 -10.875 -5.632 1.00 0.00 C ATOM 1184 O TRP A 162 -8.985 -11.041 -6.852 1.00 0.00 O ATOM 1185 CB TRP A 162 -11.094 -12.292 -5.132 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.336 -12.593 -4.339 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.508 -11.920 -4.385 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.538 -13.650 -3.352 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.437 -12.533 -3.568 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.865 -13.554 -2.840 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.714 -14.657 -2.809 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.327 -14.371 -1.796 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -12.171 -15.497 -1.777 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.469 -15.346 -1.259 1.00 0.00 C ATOM 0 H TRP A 162 -11.453 -10.119 -6.532 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.348 -10.791 -3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.340 -12.401 -6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.356 -13.059 -4.896 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.690 -11.033 -4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.419 -12.265 -3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.713 -14.786 -3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.329 -14.252 -1.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.521 -16.263 -1.380 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.806 -15.978 -0.450 1.00 0.00 H new ATOM 1205 N LEU A 163 -8.005 -10.570 -4.878 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.637 -10.463 -5.368 1.00 0.00 C ATOM 1207 C LEU A 163 -5.813 -11.544 -4.684 1.00 0.00 C ATOM 1208 O LEU A 163 -5.798 -11.642 -3.452 1.00 0.00 O ATOM 1209 CB LEU A 163 -6.095 -9.060 -5.068 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.644 -8.817 -5.519 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.461 -8.872 -7.038 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -4.158 -7.446 -5.024 1.00 0.00 C ATOM 0 H LEU A 163 -8.084 -10.385 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.589 -10.607 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.739 -8.326 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -6.161 -8.882 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 163 -4.057 -9.625 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.415 -8.692 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.757 -9.855 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -5.081 -8.108 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -3.130 -7.285 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.795 -6.664 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -4.203 -7.415 -3.935 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.110 -12.347 -5.476 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.281 -13.442 -5.003 1.00 0.00 C ATOM 1226 C GLY A 164 -5.185 -14.624 -4.715 1.00 0.00 C ATOM 1227 O GLY A 164 -5.111 -15.651 -5.392 1.00 0.00 O ATOM 0 H GLY A 164 -5.103 -12.249 -6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.535 -13.707 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.739 -13.149 -4.104 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.078 -14.437 -3.750 1.00 0.00 N ATOM 1232 CA GLY A 165 -7.052 -15.412 -3.315 1.00 0.00 C ATOM 1233 C GLY A 165 -7.980 -14.877 -2.232 1.00 0.00 C ATOM 1234 O GLY A 165 -8.753 -15.679 -1.706 1.00 0.00 O ATOM 0 H GLY A 165 -6.140 -13.561 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.646 -15.732 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.534 -16.294 -2.939 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.919 -13.582 -1.866 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.770 -12.991 -0.822 1.00 0.00 C ATOM 1240 C ARG A 166 -9.307 -11.638 -1.278 1.00 0.00 C ATOM 1241 O ARG A 166 -8.685 -11.009 -2.138 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.925 -12.820 0.454 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.720 -14.157 1.180 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.525 -14.094 2.136 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.282 -15.387 2.791 1.00 0.00 N ATOM 1246 CZ ARG A 166 -5.557 -16.424 2.350 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -4.934 -16.394 1.175 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -5.445 -17.509 3.103 1.00 0.00 N ATOM 0 H ARG A 166 -7.274 -12.915 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.620 -13.644 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.956 -12.394 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.415 -12.113 1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.621 -14.412 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.562 -14.950 0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.634 -13.792 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -6.705 -13.331 2.893 1.00 0.00 H new ATOM 0 HE ARG A 166 -6.724 -15.511 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.001 -15.566 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -4.389 -17.199 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -5.909 -17.550 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -4.895 -18.303 2.775 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.453 -11.200 -0.745 1.00 0.00 N ATOM 1263 CA GLN A 167 -11.023 -9.904 -1.120 1.00 0.00 C ATOM 1264 C GLN A 167 -10.142 -8.783 -0.589 1.00 0.00 C ATOM 1265 O GLN A 167 -9.564 -8.912 0.491 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.454 -9.683 -0.612 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.487 -10.379 -1.479 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.908 -10.122 -0.987 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.388 -10.804 -0.083 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.603 -9.151 -1.551 1.00 0.00 N ATOM 0 H GLN A 167 -10.999 -11.720 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 167 -11.065 -9.899 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.535 -10.050 0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.666 -8.614 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.391 -10.032 -2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.293 -11.452 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.189 -8.596 -2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.554 -8.956 -1.238 1.00 0.00 H new ATOM 1279 N ILE A 168 -10.104 -7.671 -1.319 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.320 -6.492 -0.983 1.00 0.00 C ATOM 1281 C ILE A 168 -10.221 -5.293 -0.730 1.00 0.00 C ATOM 1282 O ILE A 168 -11.373 -5.235 -1.168 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.318 -6.165 -2.115 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -9.031 -5.926 -3.470 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.298 -7.303 -2.208 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -8.204 -5.248 -4.558 1.00 0.00 C ATOM 0 H ILE A 168 -10.634 -7.565 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.766 -6.709 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.804 -5.233 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.374 -6.888 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.919 -5.320 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.584 -7.087 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.769 -7.396 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.814 -8.237 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.809 -5.135 -5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.882 -4.266 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.329 -5.858 -4.783 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.648 -4.313 -0.046 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.256 -3.037 0.311 1.00 0.00 C ATOM 1300 C ARG A 169 -9.415 -1.968 -0.368 1.00 0.00 C ATOM 1301 O ARG A 169 -8.191 -2.133 -0.439 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.283 -2.856 1.838 1.00 0.00 C ATOM 1303 CG ARG A 169 -8.881 -2.858 2.463 1.00 0.00 C ATOM 1304 CD ARG A 169 -8.915 -3.370 3.896 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.674 -2.483 4.774 1.00 0.00 N ATOM 1306 CZ ARG A 169 -10.141 -2.806 5.976 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -9.908 -4.010 6.492 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -10.826 -1.890 6.642 1.00 0.00 N ATOM 0 H ARG A 169 -8.690 -4.391 0.295 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.294 -2.978 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.782 -1.917 2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.875 -3.655 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.216 -3.483 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.471 -1.848 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.358 -4.366 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -7.896 -3.467 4.271 1.00 0.00 H new ATOM 0 HE ARG A 169 -9.861 -1.539 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.367 -4.695 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -10.271 -4.248 7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -10.981 -0.970 6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -11.199 -2.104 7.567 1.00 0.00 H new ATOM 1322 N THR A 170 -10.029 -0.893 -0.844 1.00 0.00 N ATOM 1323 CA THR A 170 -9.323 0.189 -1.514 1.00 0.00 C ATOM 1324 C THR A 170 -9.931 1.493 -1.024 1.00 0.00 C ATOM 1325 O THR A 170 -11.146 1.683 -1.131 1.00 0.00 O ATOM 1326 CB THR A 170 -9.396 0.023 -3.038 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.719 -0.109 -3.486 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.683 -1.248 -3.514 1.00 0.00 C ATOM 0 H THR A 170 -11.036 -0.747 -0.775 1.00 0.00 H new ATOM 0 HA THR A 170 -8.260 0.182 -1.274 1.00 0.00 H new ATOM 0 HB THR A 170 -8.922 0.920 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.326 0.311 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.760 -1.324 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.632 -1.205 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.149 -2.120 -3.055 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.111 2.381 -0.461 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.563 3.661 0.078 1.00 0.00 C ATOM 1338 C ASN A 171 -8.432 4.677 -0.058 1.00 0.00 C ATOM 1339 O ASN A 171 -7.320 4.331 -0.464 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.933 3.501 1.571 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.804 2.284 1.869 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.296 1.188 2.090 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -12.116 2.421 1.893 1.00 0.00 N ATOM 0 H ASN A 171 -8.107 2.230 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.441 4.001 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -9.016 3.430 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -10.455 4.398 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -12.709 1.616 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -12.537 3.332 1.709 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.685 5.940 0.273 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.653 6.965 0.201 1.00 0.00 C ATOM 1352 C TRP A 172 -6.609 6.697 1.289 1.00 0.00 C ATOM 1353 O TRP A 172 -6.903 6.086 2.323 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.263 8.361 0.367 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.043 8.853 -0.810 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.368 9.121 -0.825 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.569 9.112 -2.165 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.738 9.576 -2.076 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.658 9.618 -2.929 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.339 8.958 -2.840 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.515 10.003 -4.264 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.199 9.280 -4.203 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -8.291 9.791 -4.922 1.00 0.00 C ATOM 0 H TRP A 172 -9.594 6.276 0.593 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.174 6.929 -0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -8.916 8.354 1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.461 9.069 0.574 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.036 8.998 0.014 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.687 9.846 -2.334 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.484 8.584 -2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.341 10.461 -4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.250 9.134 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -8.192 10.020 -5.973 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.386 7.183 1.066 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.268 7.032 1.991 1.00 0.00 C ATOM 1376 C ALA A 173 -4.077 8.277 2.873 1.00 0.00 C ATOM 1377 O ALA A 173 -3.095 8.350 3.616 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.001 6.740 1.179 1.00 0.00 C ATOM 0 H ALA A 173 -5.144 7.701 0.222 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.479 6.204 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.154 6.624 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.138 5.821 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.809 7.567 0.495 1.00 0.00 H new