USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 578 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 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= -0.149 USER MOD Set 2.1: A 79 HIS : no HD1:sc= -0.586! C(o=0.45!,f=-4.2!) USER MOD Set 2.2: A 125 SER OG : rot -84:sc= 1.03 USER MOD Single : A 86 SER OG : rot 173:sc= -0.0611 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= -0.2 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -168:sc= 0 (180deg=-0.317) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.774 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.6!) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.472 F(o=-1.7,f=-0.47) USER MOD Single : A 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl -164:sc= -1.13 (180deg=-2.55) USER MOD Single : A 142 GLN : amide:sc= -0.0596 K(o=-0.06,f=-1.2) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 THR OG1 : rot 19:sc= -1.85 USER MOD Single : A 152 ASN : amide:sc= -0.984! C(o=-0.98!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.531 7.346 -1.978 1.00 0.00 N ATOM 196 CA PHE A 78 6.080 7.474 -2.033 1.00 0.00 C ATOM 197 C PHE A 78 5.402 6.242 -1.441 1.00 0.00 C ATOM 198 O PHE A 78 5.572 5.128 -1.937 1.00 0.00 O ATOM 199 CB PHE A 78 5.619 7.679 -3.478 1.00 0.00 C ATOM 200 CG PHE A 78 6.356 8.776 -4.192 1.00 0.00 C ATOM 201 CD1 PHE A 78 7.648 8.576 -4.651 1.00 0.00 C ATOM 202 CD2 PHE A 78 5.756 10.007 -4.404 1.00 0.00 C ATOM 203 CE1 PHE A 78 8.328 9.584 -5.309 1.00 0.00 C ATOM 204 CE2 PHE A 78 6.431 11.018 -5.062 1.00 0.00 C ATOM 205 CZ PHE A 78 7.719 10.806 -5.514 1.00 0.00 C ATOM 0 HA PHE A 78 5.795 8.344 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.749 6.747 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.553 7.906 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.129 7.622 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.750 10.178 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.335 9.416 -5.662 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.952 11.973 -5.223 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.249 11.595 -6.027 1.00 0.00 H new ATOM 215 N HIS A 79 4.633 6.451 -0.377 1.00 0.00 N ATOM 216 CA HIS A 79 3.929 5.358 0.284 1.00 0.00 C ATOM 217 C HIS A 79 2.574 5.109 -0.373 1.00 0.00 C ATOM 218 O HIS A 79 1.946 6.031 -0.892 1.00 0.00 O ATOM 219 CB HIS A 79 3.740 5.669 1.769 1.00 0.00 C ATOM 220 CG HIS A 79 4.942 6.291 2.408 1.00 0.00 C ATOM 221 ND1 HIS A 79 6.154 6.425 1.763 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.115 6.820 3.642 1.00 0.00 C ATOM 223 CE1 HIS A 79 7.020 7.007 2.573 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.414 7.257 3.720 1.00 0.00 N ATOM 0 H HIS A 79 4.482 7.367 0.046 1.00 0.00 H new ATOM 0 HA HIS A 79 4.533 4.456 0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.889 6.340 1.886 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.494 4.747 2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.369 6.886 4.421 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.048 7.239 2.338 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.842 7.702 4.532 1.00 0.00 H new ATOM 232 N VAL A 80 2.130 3.856 -0.346 1.00 0.00 N ATOM 233 CA VAL A 80 0.850 3.486 -0.938 1.00 0.00 C ATOM 234 C VAL A 80 -0.002 2.694 0.047 1.00 0.00 C ATOM 235 O VAL A 80 0.515 1.904 0.837 1.00 0.00 O ATOM 236 CB VAL A 80 1.044 2.652 -2.218 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.265 2.000 -2.634 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.598 3.518 -3.339 1.00 0.00 C ATOM 0 H VAL A 80 2.638 3.080 0.079 1.00 0.00 H new ATOM 0 HA VAL A 80 0.338 4.414 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 80 1.765 1.862 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.108 1.415 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.615 1.346 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.011 2.771 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.729 2.912 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.903 4.331 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.560 3.932 -3.037 1.00 0.00 H new ATOM 248 N PHE A 81 -1.312 2.911 -0.005 1.00 0.00 N ATOM 249 CA PHE A 81 -2.238 2.218 0.884 1.00 0.00 C ATOM 250 C PHE A 81 -2.809 0.973 0.210 1.00 0.00 C ATOM 251 O PHE A 81 -3.204 1.009 -0.955 1.00 0.00 O ATOM 252 CB PHE A 81 -3.375 3.153 1.300 1.00 0.00 C ATOM 253 CG PHE A 81 -4.601 2.429 1.780 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.640 1.870 3.047 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.714 2.307 0.963 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.766 1.204 3.492 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.843 1.643 1.403 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.869 1.089 2.668 1.00 0.00 C ATOM 0 H PHE A 81 -1.757 3.561 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.688 1.909 1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.020 3.814 2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.644 3.784 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.780 1.956 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.699 2.736 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.784 0.774 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.705 1.557 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.750 0.567 3.012 1.00 0.00 H new ATOM 268 N VAL A 82 -2.848 -0.129 0.953 1.00 0.00 N ATOM 269 CA VAL A 82 -3.370 -1.386 0.429 1.00 0.00 C ATOM 270 C VAL A 82 -4.349 -2.024 1.409 1.00 0.00 C ATOM 271 O VAL A 82 -3.989 -2.349 2.539 1.00 0.00 O ATOM 272 CB VAL A 82 -2.236 -2.384 0.130 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.738 -3.512 -0.758 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.057 -1.671 -0.515 1.00 0.00 C ATOM 0 H VAL A 82 -2.524 -0.177 1.919 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.890 -1.151 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.899 -2.818 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.923 -4.207 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.548 -4.039 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.103 -3.100 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.264 -2.391 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.378 -1.209 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.683 -0.902 0.161 1.00 0.00 H new ATOM 284 N GLY A 83 -5.590 -2.202 0.965 1.00 0.00 N ATOM 285 CA GLY A 83 -6.602 -2.802 1.815 1.00 0.00 C ATOM 286 C GLY A 83 -7.328 -3.945 1.134 1.00 0.00 C ATOM 287 O GLY A 83 -7.171 -4.160 -0.069 1.00 0.00 O ATOM 0 H GLY A 83 -5.912 -1.942 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.134 -3.166 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.324 -2.040 2.108 1.00 0.00 H new ATOM 291 N ASP A 84 -8.122 -4.681 1.902 1.00 0.00 N ATOM 292 CA ASP A 84 -8.874 -5.809 1.366 1.00 0.00 C ATOM 293 C ASP A 84 -7.949 -6.983 1.058 1.00 0.00 C ATOM 294 O ASP A 84 -8.120 -7.675 0.054 1.00 0.00 O ATOM 295 CB ASP A 84 -9.628 -5.393 0.102 1.00 0.00 C ATOM 296 CG ASP A 84 -10.884 -6.212 -0.120 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.876 -5.986 0.605 1.00 0.00 O ATOM 298 OD2 ASP A 84 -10.876 -7.078 -1.020 1.00 0.00 O ATOM 0 H ASP A 84 -8.262 -4.517 2.899 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.593 -6.125 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.893 -4.338 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.971 -5.500 -0.761 1.00 0.00 H new ATOM 303 N LEU A 85 -6.969 -7.200 1.927 1.00 0.00 N ATOM 304 CA LEU A 85 -6.015 -8.289 1.749 1.00 0.00 C ATOM 305 C LEU A 85 -6.376 -9.480 2.630 1.00 0.00 C ATOM 306 O LEU A 85 -6.674 -9.321 3.814 1.00 0.00 O ATOM 307 CB LEU A 85 -4.598 -7.811 2.073 1.00 0.00 C ATOM 308 CG LEU A 85 -4.197 -6.456 1.491 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.989 -5.896 2.225 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.909 -6.579 0.002 1.00 0.00 C ATOM 0 H LEU A 85 -6.814 -6.636 2.763 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.055 -8.607 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.491 -7.764 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.893 -8.561 1.715 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.029 -5.765 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.718 -4.931 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.231 -5.770 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.151 -6.585 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.625 -5.605 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.094 -7.286 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.801 -6.935 -0.513 1.00 0.00 H new ATOM 322 N SER A 86 -6.347 -10.673 2.045 1.00 0.00 N ATOM 323 CA SER A 86 -6.674 -11.892 2.776 1.00 0.00 C ATOM 324 C SER A 86 -5.818 -12.016 4.034 1.00 0.00 C ATOM 325 O SER A 86 -4.709 -11.489 4.115 1.00 0.00 O ATOM 326 CB SER A 86 -6.470 -13.118 1.884 1.00 0.00 C ATOM 327 OG SER A 86 -6.096 -14.250 2.650 1.00 0.00 O ATOM 0 H SER A 86 -6.100 -10.822 1.067 1.00 0.00 H new ATOM 0 HA SER A 86 -7.721 -11.839 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.389 -13.332 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.700 -12.907 1.141 1.00 0.00 H new ATOM 0 HG SER A 86 -6.089 -15.045 2.077 1.00 0.00 H new ATOM 333 N PRO A 87 -6.346 -12.731 5.039 1.00 0.00 N ATOM 334 CA PRO A 87 -5.648 -12.943 6.310 1.00 0.00 C ATOM 335 C PRO A 87 -4.439 -13.859 6.163 1.00 0.00 C ATOM 336 O PRO A 87 -3.594 -13.935 7.054 1.00 0.00 O ATOM 337 CB PRO A 87 -6.712 -13.599 7.193 1.00 0.00 C ATOM 338 CG PRO A 87 -7.644 -14.258 6.237 1.00 0.00 C ATOM 339 CD PRO A 87 -7.663 -13.388 5.010 1.00 0.00 C ATOM 0 HA PRO A 87 -5.251 -12.013 6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.268 -14.323 7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.230 -12.860 7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.307 -15.266 5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.642 -14.350 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.799 -13.976 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.475 -12.662 5.044 1.00 0.00 H new ATOM 347 N GLU A 88 -4.362 -14.553 5.031 1.00 0.00 N ATOM 348 CA GLU A 88 -3.255 -15.465 4.768 1.00 0.00 C ATOM 349 C GLU A 88 -2.113 -14.744 4.059 1.00 0.00 C ATOM 350 O GLU A 88 -1.016 -15.286 3.916 1.00 0.00 O ATOM 351 CB GLU A 88 -3.730 -16.648 3.922 1.00 0.00 C ATOM 352 CG GLU A 88 -3.693 -16.380 2.427 1.00 0.00 C ATOM 353 CD GLU A 88 -4.607 -17.304 1.645 1.00 0.00 C ATOM 354 OE1 GLU A 88 -4.214 -18.465 1.406 1.00 0.00 O ATOM 355 OE2 GLU A 88 -5.715 -16.865 1.274 1.00 0.00 O ATOM 0 H GLU A 88 -5.053 -14.501 4.282 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.888 -15.836 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.107 -17.515 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.749 -16.905 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.982 -15.346 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.671 -16.496 2.066 1.00 0.00 H new ATOM 362 N ILE A 89 -2.378 -13.519 3.617 1.00 0.00 N ATOM 363 CA ILE A 89 -1.373 -12.723 2.924 1.00 0.00 C ATOM 364 C ILE A 89 -0.360 -12.141 3.904 1.00 0.00 C ATOM 365 O ILE A 89 -0.727 -11.628 4.962 1.00 0.00 O ATOM 366 CB ILE A 89 -2.017 -11.575 2.125 1.00 0.00 C ATOM 367 CG1 ILE A 89 -3.003 -12.131 1.096 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.945 -10.739 1.442 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.344 -12.946 0.006 1.00 0.00 C ATOM 0 H ILE A 89 -3.280 -13.056 3.727 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.862 -13.393 2.233 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.565 -10.934 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.738 -12.752 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.546 -11.303 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.416 -9.932 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.278 -10.318 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.372 -11.368 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.103 -13.308 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.629 -12.324 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.824 -13.795 0.450 1.00 0.00 H new ATOM 381 N THR A 90 0.917 -12.221 3.545 1.00 0.00 N ATOM 382 CA THR A 90 1.983 -11.701 4.392 1.00 0.00 C ATOM 383 C THR A 90 2.736 -10.572 3.698 1.00 0.00 C ATOM 384 O THR A 90 2.683 -10.436 2.475 1.00 0.00 O ATOM 385 CB THR A 90 2.983 -12.807 4.779 1.00 0.00 C ATOM 386 OG1 THR A 90 3.922 -12.306 5.737 1.00 0.00 O ATOM 387 CG2 THR A 90 3.725 -13.319 3.554 1.00 0.00 C ATOM 0 H THR A 90 1.238 -12.641 2.673 1.00 0.00 H new ATOM 0 HA THR A 90 1.509 -11.317 5.295 1.00 0.00 H new ATOM 0 HB THR A 90 2.424 -13.634 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.553 -13.016 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.425 -14.099 3.852 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.010 -13.727 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.272 -12.498 3.091 1.00 0.00 H new ATOM 395 N THR A 91 3.439 -9.763 4.485 1.00 0.00 N ATOM 396 CA THR A 91 4.202 -8.645 3.946 1.00 0.00 C ATOM 397 C THR A 91 4.834 -9.006 2.606 1.00 0.00 C ATOM 398 O THR A 91 4.749 -8.243 1.645 1.00 0.00 O ATOM 399 CB THR A 91 5.310 -8.200 4.919 1.00 0.00 C ATOM 400 OG1 THR A 91 4.729 -7.574 6.069 1.00 0.00 O ATOM 401 CG2 THR A 91 6.271 -7.235 4.241 1.00 0.00 C ATOM 0 H THR A 91 3.495 -9.862 5.499 1.00 0.00 H new ATOM 0 HA THR A 91 3.501 -7.823 3.805 1.00 0.00 H new ATOM 0 HB THR A 91 5.867 -9.084 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.440 -7.295 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.044 -6.935 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.733 -7.724 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.725 -6.354 3.905 1.00 0.00 H new ATOM 409 N GLU A 92 5.466 -10.174 2.550 1.00 0.00 N ATOM 410 CA GLU A 92 6.112 -10.635 1.327 1.00 0.00 C ATOM 411 C GLU A 92 5.141 -10.595 0.151 1.00 0.00 C ATOM 412 O GLU A 92 5.422 -9.984 -0.880 1.00 0.00 O ATOM 413 CB GLU A 92 6.649 -12.056 1.511 1.00 0.00 C ATOM 414 CG GLU A 92 7.682 -12.177 2.619 1.00 0.00 C ATOM 415 CD GLU A 92 8.475 -13.468 2.538 1.00 0.00 C ATOM 416 OE1 GLU A 92 9.179 -13.669 1.526 1.00 0.00 O ATOM 417 OE2 GLU A 92 8.391 -14.277 3.486 1.00 0.00 O ATOM 0 H GLU A 92 5.544 -10.818 3.337 1.00 0.00 H new ATOM 0 HA GLU A 92 6.945 -9.965 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.816 -12.725 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.093 -12.392 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.367 -11.330 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.181 -12.123 3.586 1.00 0.00 H new ATOM 424 N ASP A 93 3.997 -11.252 0.313 1.00 0.00 N ATOM 425 CA ASP A 93 2.983 -11.292 -0.734 1.00 0.00 C ATOM 426 C ASP A 93 2.816 -9.920 -1.382 1.00 0.00 C ATOM 427 O ASP A 93 2.923 -9.782 -2.601 1.00 0.00 O ATOM 428 CB ASP A 93 1.646 -11.765 -0.162 1.00 0.00 C ATOM 429 CG ASP A 93 1.480 -13.269 -0.249 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.530 -13.807 -1.374 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.298 -13.909 0.809 1.00 0.00 O ATOM 0 H ASP A 93 3.749 -11.764 1.160 1.00 0.00 H new ATOM 0 HA ASP A 93 3.313 -11.997 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.569 -11.453 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.832 -11.281 -0.701 1.00 0.00 H new ATOM 436 N ILE A 94 2.554 -8.911 -0.558 1.00 0.00 N ATOM 437 CA ILE A 94 2.373 -7.551 -1.051 1.00 0.00 C ATOM 438 C ILE A 94 3.527 -7.136 -1.957 1.00 0.00 C ATOM 439 O ILE A 94 3.327 -6.816 -3.129 1.00 0.00 O ATOM 440 CB ILE A 94 2.256 -6.544 0.108 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.075 -6.906 1.011 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.102 -5.130 -0.433 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.729 -5.828 2.014 1.00 0.00 C ATOM 0 H ILE A 94 2.462 -9.009 0.453 1.00 0.00 H new ATOM 0 HA ILE A 94 1.445 -7.543 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 94 3.169 -6.588 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.202 -7.107 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.306 -7.828 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.020 -4.429 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.972 -4.875 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.203 -5.071 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.117 -6.153 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.588 -5.642 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.467 -4.911 1.487 1.00 0.00 H new ATOM 455 N LYS A 95 4.736 -7.146 -1.407 1.00 0.00 N ATOM 456 CA LYS A 95 5.925 -6.774 -2.165 1.00 0.00 C ATOM 457 C LYS A 95 5.959 -7.490 -3.511 1.00 0.00 C ATOM 458 O LYS A 95 6.336 -6.906 -4.526 1.00 0.00 O ATOM 459 CB LYS A 95 7.188 -7.105 -1.367 1.00 0.00 C ATOM 460 CG LYS A 95 7.683 -5.956 -0.506 1.00 0.00 C ATOM 461 CD LYS A 95 8.813 -6.392 0.411 1.00 0.00 C ATOM 462 CE LYS A 95 8.286 -6.873 1.755 1.00 0.00 C ATOM 463 NZ LYS A 95 9.341 -7.561 2.550 1.00 0.00 N ATOM 0 H LYS A 95 4.919 -7.408 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 95 5.888 -5.700 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.989 -7.966 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.979 -7.396 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.026 -5.143 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.859 -5.566 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.382 -7.191 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.500 -5.560 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.902 -6.023 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.450 -7.554 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.943 -7.874 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.690 -8.387 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.128 -6.904 2.725 1.00 0.00 H new ATOM 477 N ALA A 96 5.560 -8.758 -3.511 1.00 0.00 N ATOM 478 CA ALA A 96 5.542 -9.553 -4.733 1.00 0.00 C ATOM 479 C ALA A 96 4.569 -8.969 -5.752 1.00 0.00 C ATOM 480 O ALA A 96 4.788 -9.066 -6.959 1.00 0.00 O ATOM 481 CB ALA A 96 5.177 -10.996 -4.419 1.00 0.00 C ATOM 0 H ALA A 96 5.245 -9.256 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 96 6.541 -9.529 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.167 -11.578 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.912 -11.416 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.190 -11.030 -3.959 1.00 0.00 H new ATOM 487 N ALA A 97 3.494 -8.364 -5.258 1.00 0.00 N ATOM 488 CA ALA A 97 2.489 -7.764 -6.127 1.00 0.00 C ATOM 489 C ALA A 97 3.005 -6.474 -6.755 1.00 0.00 C ATOM 490 O ALA A 97 2.995 -6.319 -7.976 1.00 0.00 O ATOM 491 CB ALA A 97 1.209 -7.498 -5.348 1.00 0.00 C ATOM 0 H ALA A 97 3.297 -8.276 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 97 2.273 -8.468 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.467 -7.050 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.822 -8.437 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.420 -6.816 -4.524 1.00 0.00 H new ATOM 497 N PHE A 98 3.456 -5.550 -5.912 1.00 0.00 N ATOM 498 CA PHE A 98 3.975 -4.272 -6.385 1.00 0.00 C ATOM 499 C PHE A 98 5.456 -4.383 -6.737 1.00 0.00 C ATOM 500 O PHE A 98 6.130 -3.377 -6.956 1.00 0.00 O ATOM 501 CB PHE A 98 3.771 -3.190 -5.323 1.00 0.00 C ATOM 502 CG PHE A 98 2.343 -3.044 -4.883 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.766 -3.977 -4.036 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.576 -1.974 -5.316 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.452 -3.845 -3.629 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.262 -1.837 -4.911 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.302 -2.774 -4.068 1.00 0.00 C ATOM 0 H PHE A 98 3.472 -5.663 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 98 3.426 -3.996 -7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.388 -3.423 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.121 -2.236 -5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.350 -4.817 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.010 -1.239 -5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.015 -4.579 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.324 -0.997 -5.254 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.330 -2.670 -3.753 1.00 0.00 H new ATOM 517 N ALA A 99 5.955 -5.614 -6.788 1.00 0.00 N ATOM 518 CA ALA A 99 7.355 -5.857 -7.114 1.00 0.00 C ATOM 519 C ALA A 99 7.667 -5.434 -8.545 1.00 0.00 C ATOM 520 O ALA A 99 8.517 -4.579 -8.794 1.00 0.00 O ATOM 521 CB ALA A 99 7.696 -7.326 -6.909 1.00 0.00 C ATOM 0 H ALA A 99 5.411 -6.458 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 99 7.969 -5.255 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.744 -7.494 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.520 -7.599 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.068 -7.939 -7.556 1.00 0.00 H new ATOM 527 N PRO A 100 6.965 -6.046 -9.510 1.00 0.00 N ATOM 528 CA PRO A 100 7.150 -5.748 -10.934 1.00 0.00 C ATOM 529 C PRO A 100 6.640 -4.361 -11.307 1.00 0.00 C ATOM 530 O PRO A 100 6.729 -3.946 -12.463 1.00 0.00 O ATOM 531 CB PRO A 100 6.321 -6.829 -11.633 1.00 0.00 C ATOM 532 CG PRO A 100 5.285 -7.216 -10.635 1.00 0.00 C ATOM 533 CD PRO A 100 5.935 -7.075 -9.287 1.00 0.00 C ATOM 0 HA PRO A 100 8.203 -5.749 -11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.867 -6.450 -12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.939 -7.682 -11.914 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.408 -6.574 -10.714 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.947 -8.239 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.218 -6.767 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.373 -8.015 -8.952 1.00 0.00 H new ATOM 541 N PHE A 101 6.106 -3.647 -10.322 1.00 0.00 N ATOM 542 CA PHE A 101 5.581 -2.305 -10.547 1.00 0.00 C ATOM 543 C PHE A 101 6.588 -1.246 -10.107 1.00 0.00 C ATOM 544 O PHE A 101 6.403 -0.056 -10.357 1.00 0.00 O ATOM 545 CB PHE A 101 4.263 -2.116 -9.793 1.00 0.00 C ATOM 546 CG PHE A 101 3.117 -2.882 -10.388 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.896 -4.206 -10.042 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.259 -2.278 -11.294 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.842 -4.913 -10.590 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.203 -2.980 -11.844 1.00 0.00 C ATOM 551 CZ PHE A 101 0.994 -4.299 -11.491 1.00 0.00 C ATOM 0 H PHE A 101 6.025 -3.975 -9.360 1.00 0.00 H new ATOM 0 HA PHE A 101 5.400 -2.188 -11.615 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.398 -2.427 -8.757 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.012 -1.056 -9.777 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.555 -4.691 -9.336 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.418 -1.247 -11.573 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.682 -5.945 -10.314 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.542 -2.498 -12.549 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.169 -4.849 -11.919 1.00 0.00 H new ATOM 561 N GLY A 102 7.655 -1.690 -9.450 1.00 0.00 N ATOM 562 CA GLY A 102 8.676 -0.769 -8.984 1.00 0.00 C ATOM 563 C GLY A 102 9.325 -1.227 -7.693 1.00 0.00 C ATOM 564 O GLY A 102 8.638 -1.628 -6.754 1.00 0.00 O ATOM 0 H GLY A 102 7.831 -2.671 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.441 -0.660 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.232 0.215 -8.835 1.00 0.00 H new ATOM 568 N ARG A 103 10.652 -1.168 -7.647 1.00 0.00 N ATOM 569 CA ARG A 103 11.394 -1.583 -6.463 1.00 0.00 C ATOM 570 C ARG A 103 10.756 -1.019 -5.196 1.00 0.00 C ATOM 571 O ARG A 103 10.584 0.193 -5.063 1.00 0.00 O ATOM 572 CB ARG A 103 12.850 -1.125 -6.560 1.00 0.00 C ATOM 573 CG ARG A 103 13.698 -1.983 -7.485 1.00 0.00 C ATOM 574 CD ARG A 103 14.934 -1.236 -7.961 1.00 0.00 C ATOM 575 NE ARG A 103 16.067 -1.419 -7.058 1.00 0.00 N ATOM 576 CZ ARG A 103 17.190 -0.714 -7.135 1.00 0.00 C ATOM 577 NH1 ARG A 103 17.329 0.217 -8.068 1.00 0.00 N ATOM 578 NH2 ARG A 103 18.176 -0.940 -6.277 1.00 0.00 N ATOM 0 H ARG A 103 11.235 -0.837 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 103 11.365 -2.671 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.875 -0.093 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.292 -1.134 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.999 -2.892 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.103 -2.290 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.206 -1.583 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.705 -0.174 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 103 15.992 -2.127 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.573 0.393 -8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.192 0.757 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 103 18.072 -1.656 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 103 19.038 -0.398 -6.337 1.00 0.00 H new ATOM 592 N ILE A 104 10.406 -1.906 -4.271 1.00 0.00 N ATOM 593 CA ILE A 104 9.788 -1.497 -3.016 1.00 0.00 C ATOM 594 C ILE A 104 10.813 -1.452 -1.887 1.00 0.00 C ATOM 595 O ILE A 104 11.658 -2.339 -1.767 1.00 0.00 O ATOM 596 CB ILE A 104 8.643 -2.446 -2.617 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.760 -2.754 -3.829 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.816 -1.836 -1.494 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.933 -4.010 -3.670 1.00 0.00 C ATOM 0 H ILE A 104 10.540 -2.913 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 104 9.382 -0.498 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 104 9.074 -3.381 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.094 -1.910 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.391 -2.853 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.011 -2.519 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.452 -1.663 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.392 -0.889 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.332 -4.166 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.594 -4.864 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.276 -3.906 -2.806 1.00 0.00 H new ATOM 611 N SER A 105 10.730 -0.414 -1.061 1.00 0.00 N ATOM 612 CA SER A 105 11.651 -0.252 0.058 1.00 0.00 C ATOM 613 C SER A 105 10.973 -0.614 1.376 1.00 0.00 C ATOM 614 O SER A 105 11.354 -1.580 2.038 1.00 0.00 O ATOM 615 CB SER A 105 12.169 1.186 0.115 1.00 0.00 C ATOM 616 OG SER A 105 11.109 2.101 0.334 1.00 0.00 O ATOM 0 H SER A 105 10.035 0.327 -1.146 1.00 0.00 H new ATOM 0 HA SER A 105 12.493 -0.928 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.905 1.279 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.678 1.430 -0.818 1.00 0.00 H new ATOM 0 HG SER A 105 11.466 3.013 0.368 1.00 0.00 H new ATOM 622 N ASP A 106 9.967 0.168 1.751 1.00 0.00 N ATOM 623 CA ASP A 106 9.235 -0.069 2.989 1.00 0.00 C ATOM 624 C ASP A 106 7.911 -0.774 2.711 1.00 0.00 C ATOM 625 O ASP A 106 6.968 -0.167 2.205 1.00 0.00 O ATOM 626 CB ASP A 106 8.981 1.252 3.717 1.00 0.00 C ATOM 627 CG ASP A 106 8.297 1.053 5.056 1.00 0.00 C ATOM 628 OD1 ASP A 106 8.951 0.534 5.985 1.00 0.00 O ATOM 629 OD2 ASP A 106 7.109 1.418 5.175 1.00 0.00 O ATOM 0 H ASP A 106 9.640 0.972 1.215 1.00 0.00 H new ATOM 0 HA ASP A 106 9.843 -0.714 3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.929 1.768 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.365 1.897 3.090 1.00 0.00 H new ATOM 634 N ALA A 107 7.849 -2.059 3.045 1.00 0.00 N ATOM 635 CA ALA A 107 6.641 -2.846 2.832 1.00 0.00 C ATOM 636 C ALA A 107 6.317 -3.697 4.055 1.00 0.00 C ATOM 637 O ALA A 107 7.169 -4.434 4.553 1.00 0.00 O ATOM 638 CB ALA A 107 6.795 -3.726 1.600 1.00 0.00 C ATOM 0 H ALA A 107 8.621 -2.577 3.464 1.00 0.00 H new ATOM 0 HA ALA A 107 5.812 -2.157 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.885 -4.308 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.971 -3.100 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.640 -4.401 1.738 1.00 0.00 H new ATOM 644 N ARG A 108 5.083 -3.589 4.535 1.00 0.00 N ATOM 645 CA ARG A 108 4.648 -4.348 5.702 1.00 0.00 C ATOM 646 C ARG A 108 3.125 -4.416 5.770 1.00 0.00 C ATOM 647 O ARG A 108 2.429 -3.592 5.175 1.00 0.00 O ATOM 648 CB ARG A 108 5.198 -3.715 6.982 1.00 0.00 C ATOM 649 CG ARG A 108 4.498 -2.425 7.373 1.00 0.00 C ATOM 650 CD ARG A 108 3.278 -2.694 8.240 1.00 0.00 C ATOM 651 NE ARG A 108 3.610 -2.717 9.662 1.00 0.00 N ATOM 652 CZ ARG A 108 3.870 -3.830 10.338 1.00 0.00 C ATOM 653 NH1 ARG A 108 3.836 -5.005 9.725 1.00 0.00 N ATOM 654 NH2 ARG A 108 4.165 -3.770 11.630 1.00 0.00 N ATOM 0 H ARG A 108 4.366 -2.984 4.134 1.00 0.00 H new ATOM 0 HA ARG A 108 5.036 -5.362 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.106 -4.430 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.262 -3.516 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.193 -1.781 7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 108 4.196 -1.887 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 108 2.526 -1.926 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 108 2.835 -3.649 7.956 1.00 0.00 H new ATOM 0 HE ARG A 108 3.644 -1.829 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 108 3.610 -5.056 8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.036 -5.858 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.192 -2.868 12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.364 -4.626 12.148 1.00 0.00 H new ATOM 668 N VAL A 109 2.614 -5.403 6.498 1.00 0.00 N ATOM 669 CA VAL A 109 1.174 -5.578 6.644 1.00 0.00 C ATOM 670 C VAL A 109 0.712 -5.188 8.044 1.00 0.00 C ATOM 671 O VAL A 109 1.107 -5.803 9.034 1.00 0.00 O ATOM 672 CB VAL A 109 0.755 -7.034 6.365 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.742 -7.209 6.575 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.154 -7.441 4.954 1.00 0.00 C ATOM 0 H VAL A 109 3.176 -6.094 6.996 1.00 0.00 H new ATOM 0 HA VAL A 109 0.700 -4.924 5.912 1.00 0.00 H new ATOM 0 HB VAL A 109 1.275 -7.685 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.019 -8.244 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.997 -6.959 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.284 -6.549 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.851 -8.472 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.663 -6.787 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.235 -7.356 4.843 1.00 0.00 H new ATOM 684 N VAL A 110 -0.129 -4.161 8.118 1.00 0.00 N ATOM 685 CA VAL A 110 -0.647 -3.689 9.397 1.00 0.00 C ATOM 686 C VAL A 110 -1.168 -4.847 10.240 1.00 0.00 C ATOM 687 O VAL A 110 -1.831 -5.751 9.732 1.00 0.00 O ATOM 688 CB VAL A 110 -1.779 -2.663 9.199 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.289 -2.165 10.543 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.301 -1.503 8.338 1.00 0.00 C ATOM 0 H VAL A 110 -0.466 -3.640 7.308 1.00 0.00 H new ATOM 0 HA VAL A 110 0.182 -3.209 9.917 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.605 -3.153 8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.088 -1.441 10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.671 -3.006 11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.473 -1.690 11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.113 -0.788 8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.459 -1.011 8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.988 -1.878 7.363 1.00 0.00 H new ATOM 700 N LYS A 111 -0.865 -4.813 11.533 1.00 0.00 N ATOM 701 CA LYS A 111 -1.303 -5.859 12.450 1.00 0.00 C ATOM 702 C LYS A 111 -1.867 -5.256 13.733 1.00 0.00 C ATOM 703 O LYS A 111 -1.540 -4.126 14.095 1.00 0.00 O ATOM 704 CB LYS A 111 -0.139 -6.795 12.783 1.00 0.00 C ATOM 705 CG LYS A 111 0.229 -7.735 11.649 1.00 0.00 C ATOM 706 CD LYS A 111 1.579 -8.391 11.884 1.00 0.00 C ATOM 707 CE LYS A 111 1.901 -9.410 10.801 1.00 0.00 C ATOM 708 NZ LYS A 111 2.757 -10.514 11.315 1.00 0.00 N ATOM 0 H LYS A 111 -0.317 -4.072 11.970 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.091 -6.430 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.734 -6.197 13.045 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.398 -7.384 13.663 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.537 -8.504 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.251 -7.182 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.356 -7.627 11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.582 -8.881 12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.974 -9.824 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.407 -8.913 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.954 -11.187 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.653 -10.122 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.263 -11.005 12.088 1.00 0.00 H new ATOM 722 N ASP A 112 -2.715 -6.017 14.416 1.00 0.00 N ATOM 723 CA ASP A 112 -3.323 -5.559 15.660 1.00 0.00 C ATOM 724 C ASP A 112 -2.256 -5.264 16.709 1.00 0.00 C ATOM 725 O ASP A 112 -1.453 -6.132 17.053 1.00 0.00 O ATOM 726 CB ASP A 112 -4.302 -6.607 16.190 1.00 0.00 C ATOM 727 CG ASP A 112 -5.349 -6.009 17.108 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.000 -5.107 17.898 1.00 0.00 O ATOM 729 OD2 ASP A 112 -6.518 -6.443 17.039 1.00 0.00 O ATOM 0 H ASP A 112 -2.997 -6.954 14.129 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.867 -4.638 15.453 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.796 -7.096 15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.749 -7.377 16.727 1.00 0.00 H new ATOM 734 N MET A 113 -2.253 -4.035 17.214 1.00 0.00 N ATOM 735 CA MET A 113 -1.285 -3.626 18.225 1.00 0.00 C ATOM 736 C MET A 113 -1.531 -4.357 19.541 1.00 0.00 C ATOM 737 O MET A 113 -0.770 -4.208 20.496 1.00 0.00 O ATOM 738 CB MET A 113 -1.355 -2.114 18.447 1.00 0.00 C ATOM 739 CG MET A 113 -0.239 -1.577 19.329 1.00 0.00 C ATOM 740 SD MET A 113 1.396 -1.833 18.612 1.00 0.00 S ATOM 741 CE MET A 113 2.104 -2.984 19.787 1.00 0.00 C ATOM 0 H MET A 113 -2.910 -3.305 16.940 1.00 0.00 H new ATOM 0 HA MET A 113 -0.290 -3.887 17.866 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.317 -1.611 17.481 1.00 0.00 H new ATOM 0 HB3 MET A 113 -2.315 -1.865 18.899 1.00 0.00 H new ATOM 0 HG2 MET A 113 -0.395 -0.511 19.497 1.00 0.00 H new ATOM 0 HG3 MET A 113 -0.285 -2.064 20.303 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.175 -3.075 19.607 1.00 0.00 H new ATOM 0 HE2 MET A 113 1.936 -2.619 20.800 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.632 -3.960 19.670 1.00 0.00 H new ATOM 751 N ALA A 114 -2.598 -5.148 19.583 1.00 0.00 N ATOM 752 CA ALA A 114 -2.943 -5.904 20.781 1.00 0.00 C ATOM 753 C ALA A 114 -2.634 -7.386 20.602 1.00 0.00 C ATOM 754 O ALA A 114 -1.953 -7.993 21.429 1.00 0.00 O ATOM 755 CB ALA A 114 -4.412 -5.706 21.125 1.00 0.00 C ATOM 0 H ALA A 114 -3.239 -5.282 18.801 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.335 -5.530 21.605 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.656 -6.276 22.021 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.604 -4.648 21.304 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.030 -6.052 20.296 1.00 0.00 H new ATOM 761 N THR A 115 -3.141 -7.966 19.518 1.00 0.00 N ATOM 762 CA THR A 115 -2.921 -9.378 19.233 1.00 0.00 C ATOM 763 C THR A 115 -1.735 -9.571 18.295 1.00 0.00 C ATOM 764 O THR A 115 -1.063 -10.600 18.331 1.00 0.00 O ATOM 765 CB THR A 115 -4.169 -10.025 18.604 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.422 -9.452 17.316 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.386 -9.834 19.497 1.00 0.00 C ATOM 0 H THR A 115 -3.707 -7.479 18.823 1.00 0.00 H new ATOM 0 HA THR A 115 -2.710 -9.864 20.186 1.00 0.00 H new ATOM 0 HB THR A 115 -3.981 -11.093 18.496 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.216 -9.870 16.922 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.255 -10.299 19.032 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.202 -10.297 20.467 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.574 -8.769 19.633 1.00 0.00 H new ATOM 775 N GLY A 116 -1.482 -8.572 17.454 1.00 0.00 N ATOM 776 CA GLY A 116 -0.376 -8.652 16.518 1.00 0.00 C ATOM 777 C GLY A 116 -0.707 -9.490 15.300 1.00 0.00 C ATOM 778 O GLY A 116 0.182 -10.066 14.672 1.00 0.00 O ATOM 0 H GLY A 116 -2.023 -7.709 17.405 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.100 -7.647 16.199 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.492 -9.076 17.022 1.00 0.00 H new ATOM 782 N LYS A 117 -1.991 -9.561 14.963 1.00 0.00 N ATOM 783 CA LYS A 117 -2.438 -10.336 13.812 1.00 0.00 C ATOM 784 C LYS A 117 -2.686 -9.430 12.610 1.00 0.00 C ATOM 785 O LYS A 117 -3.053 -8.265 12.764 1.00 0.00 O ATOM 786 CB LYS A 117 -3.715 -11.106 14.155 1.00 0.00 C ATOM 787 CG LYS A 117 -3.570 -12.017 15.362 1.00 0.00 C ATOM 788 CD LYS A 117 -3.108 -13.407 14.959 1.00 0.00 C ATOM 789 CE LYS A 117 -3.076 -14.352 16.151 1.00 0.00 C ATOM 790 NZ LYS A 117 -2.659 -15.726 15.759 1.00 0.00 N ATOM 0 H LYS A 117 -2.740 -9.091 15.471 1.00 0.00 H new ATOM 0 HA LYS A 117 -1.651 -11.045 13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.519 -10.394 14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.012 -11.703 13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.856 -11.584 16.062 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.525 -12.087 15.883 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.775 -13.806 14.195 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.115 -13.347 14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.389 -13.965 16.903 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.063 -14.390 16.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -2.650 -16.339 16.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.329 -16.106 15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.706 -15.694 15.343 1.00 0.00 H new ATOM 804 N SER A 118 -2.485 -9.973 11.414 1.00 0.00 N ATOM 805 CA SER A 118 -2.685 -9.213 10.186 1.00 0.00 C ATOM 806 C SER A 118 -4.047 -8.525 10.188 1.00 0.00 C ATOM 807 O SER A 118 -5.084 -9.175 10.055 1.00 0.00 O ATOM 808 CB SER A 118 -2.566 -10.131 8.968 1.00 0.00 C ATOM 809 OG SER A 118 -2.418 -9.380 7.775 1.00 0.00 O ATOM 0 H SER A 118 -2.184 -10.937 11.269 1.00 0.00 H new ATOM 0 HA SER A 118 -1.911 -8.447 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.711 -10.795 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.452 -10.762 8.897 1.00 0.00 H new ATOM 0 HG SER A 118 -2.342 -9.990 7.012 1.00 0.00 H new ATOM 815 N LYS A 119 -4.035 -7.205 10.340 1.00 0.00 N ATOM 816 CA LYS A 119 -5.268 -6.426 10.358 1.00 0.00 C ATOM 817 C LYS A 119 -6.018 -6.563 9.037 1.00 0.00 C ATOM 818 O LYS A 119 -7.236 -6.737 9.019 1.00 0.00 O ATOM 819 CB LYS A 119 -4.959 -4.952 10.631 1.00 0.00 C ATOM 820 CG LYS A 119 -4.908 -4.605 12.109 1.00 0.00 C ATOM 821 CD LYS A 119 -5.334 -3.168 12.359 1.00 0.00 C ATOM 822 CE LYS A 119 -5.270 -2.818 13.838 1.00 0.00 C ATOM 823 NZ LYS A 119 -5.667 -1.405 14.091 1.00 0.00 N ATOM 0 H LYS A 119 -3.185 -6.652 10.453 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.901 -6.813 11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.002 -4.699 10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.716 -4.335 10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.558 -5.280 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.896 -4.756 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.690 -2.493 11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.350 -3.019 11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.925 -3.485 14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.258 -2.982 14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.610 -1.206 15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.026 -0.767 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.642 -1.254 13.763 1.00 0.00 H new ATOM 837 N GLY A 120 -5.282 -6.485 7.933 1.00 0.00 N ATOM 838 CA GLY A 120 -5.895 -6.604 6.623 1.00 0.00 C ATOM 839 C GLY A 120 -5.269 -5.674 5.603 1.00 0.00 C ATOM 840 O GLY A 120 -5.031 -6.065 4.460 1.00 0.00 O ATOM 0 H GLY A 120 -4.272 -6.342 7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.805 -7.633 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.960 -6.387 6.703 1.00 0.00 H new ATOM 844 N TYR A 121 -5.003 -4.440 6.015 1.00 0.00 N ATOM 845 CA TYR A 121 -4.404 -3.450 5.127 1.00 0.00 C ATOM 846 C TYR A 121 -2.905 -3.324 5.384 1.00 0.00 C ATOM 847 O TYR A 121 -2.444 -3.459 6.517 1.00 0.00 O ATOM 848 CB TYR A 121 -5.081 -2.091 5.314 1.00 0.00 C ATOM 849 CG TYR A 121 -5.112 -1.622 6.751 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.021 -2.154 7.657 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.231 -0.648 7.203 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.053 -1.728 8.971 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.254 -0.217 8.515 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.168 -0.759 9.395 1.00 0.00 C ATOM 855 OH TYR A 121 -5.196 -0.333 10.703 1.00 0.00 O ATOM 0 H TYR A 121 -5.192 -4.101 6.958 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.551 -3.784 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.560 -1.349 4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.102 -2.148 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.715 -2.914 7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.515 -0.220 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.767 -2.151 9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.560 0.540 8.850 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.508 0.352 10.839 1.00 0.00 H new ATOM 865 N GLY A 122 -2.150 -3.062 4.322 1.00 0.00 N ATOM 866 CA GLY A 122 -0.711 -2.921 4.452 1.00 0.00 C ATOM 867 C GLY A 122 -0.194 -1.645 3.817 1.00 0.00 C ATOM 868 O GLY A 122 -0.967 -0.859 3.269 1.00 0.00 O ATOM 0 H GLY A 122 -2.508 -2.945 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.442 -2.933 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.222 -3.778 3.989 1.00 0.00 H new ATOM 872 N PHE A 123 1.116 -1.438 3.892 1.00 0.00 N ATOM 873 CA PHE A 123 1.736 -0.247 3.322 1.00 0.00 C ATOM 874 C PHE A 123 2.858 -0.625 2.360 1.00 0.00 C ATOM 875 O PHE A 123 3.626 -1.552 2.618 1.00 0.00 O ATOM 876 CB PHE A 123 2.283 0.651 4.434 1.00 0.00 C ATOM 877 CG PHE A 123 1.212 1.365 5.209 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.305 2.190 4.563 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.113 1.212 6.582 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.681 2.849 5.273 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.129 1.868 7.297 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.769 2.688 6.642 1.00 0.00 C ATOM 0 H PHE A 123 1.769 -2.079 4.342 1.00 0.00 H new ATOM 0 HA PHE A 123 0.973 0.298 2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.875 0.046 5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.957 1.388 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.369 2.319 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.813 0.573 7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.382 3.489 4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.062 1.740 8.367 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.538 3.202 7.199 1.00 0.00 H new ATOM 892 N VAL A 124 2.946 0.100 1.250 1.00 0.00 N ATOM 893 CA VAL A 124 3.974 -0.157 0.248 1.00 0.00 C ATOM 894 C VAL A 124 4.617 1.141 -0.226 1.00 0.00 C ATOM 895 O VAL A 124 3.938 2.031 -0.737 1.00 0.00 O ATOM 896 CB VAL A 124 3.398 -0.906 -0.968 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.496 -1.216 -1.974 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.695 -2.181 -0.525 1.00 0.00 C ATOM 0 H VAL A 124 2.318 0.870 1.021 1.00 0.00 H new ATOM 0 HA VAL A 124 4.731 -0.781 0.724 1.00 0.00 H new ATOM 0 HB VAL A 124 2.664 -0.263 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.070 -1.745 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.950 -0.286 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.256 -1.839 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.294 -2.697 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.406 -2.830 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.880 -1.930 0.154 1.00 0.00 H new ATOM 908 N SER A 125 5.931 1.242 -0.054 1.00 0.00 N ATOM 909 CA SER A 125 6.667 2.433 -0.461 1.00 0.00 C ATOM 910 C SER A 125 7.480 2.164 -1.724 1.00 0.00 C ATOM 911 O SER A 125 7.945 1.047 -1.951 1.00 0.00 O ATOM 912 CB SER A 125 7.592 2.898 0.665 1.00 0.00 C ATOM 913 OG SER A 125 6.876 3.638 1.639 1.00 0.00 O ATOM 0 H SER A 125 6.508 0.513 0.365 1.00 0.00 H new ATOM 0 HA SER A 125 5.944 3.220 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.063 2.034 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.392 3.512 0.252 1.00 0.00 H new ATOM 0 HG SER A 125 6.801 4.572 1.350 1.00 0.00 H new ATOM 919 N PHE A 126 7.648 3.197 -2.543 1.00 0.00 N ATOM 920 CA PHE A 126 8.404 3.074 -3.784 1.00 0.00 C ATOM 921 C PHE A 126 9.432 4.194 -3.908 1.00 0.00 C ATOM 922 O PHE A 126 9.207 5.313 -3.446 1.00 0.00 O ATOM 923 CB PHE A 126 7.458 3.099 -4.987 1.00 0.00 C ATOM 924 CG PHE A 126 6.370 2.066 -4.915 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.302 2.225 -4.046 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.414 0.937 -5.717 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.300 1.276 -3.978 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.414 -0.015 -5.653 1.00 0.00 C ATOM 929 CZ PHE A 126 4.355 0.155 -4.783 1.00 0.00 C ATOM 0 H PHE A 126 7.271 4.129 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 126 8.932 2.121 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.005 4.088 -5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.037 2.943 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.252 3.100 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.239 0.799 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.474 1.411 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.461 -0.891 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.572 -0.587 -4.732 1.00 0.00 H new ATOM 939 N PHE A 127 10.563 3.885 -4.534 1.00 0.00 N ATOM 940 CA PHE A 127 11.628 4.864 -4.718 1.00 0.00 C ATOM 941 C PHE A 127 11.126 6.071 -5.505 1.00 0.00 C ATOM 942 O PHE A 127 11.426 7.215 -5.165 1.00 0.00 O ATOM 943 CB PHE A 127 12.816 4.227 -5.442 1.00 0.00 C ATOM 944 CG PHE A 127 13.462 3.113 -4.669 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.639 3.216 -3.298 1.00 0.00 C ATOM 946 CD2 PHE A 127 13.891 1.964 -5.312 1.00 0.00 C ATOM 947 CE1 PHE A 127 14.234 2.192 -2.585 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.487 0.937 -4.604 1.00 0.00 C ATOM 949 CZ PHE A 127 14.657 1.051 -3.238 1.00 0.00 C ATOM 0 H PHE A 127 10.766 2.964 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 127 11.951 5.202 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.481 3.843 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.561 4.996 -5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.309 4.105 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.758 1.869 -6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.368 2.284 -1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.819 0.047 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.120 0.249 -2.682 1.00 0.00 H new ATOM 959 N ASN A 128 10.360 5.807 -6.558 1.00 0.00 N ATOM 960 CA ASN A 128 9.817 6.871 -7.395 1.00 0.00 C ATOM 961 C ASN A 128 8.292 6.850 -7.380 1.00 0.00 C ATOM 962 O ASN A 128 7.677 5.823 -7.094 1.00 0.00 O ATOM 963 CB ASN A 128 10.327 6.730 -8.831 1.00 0.00 C ATOM 964 CG ASN A 128 11.842 6.719 -8.908 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.461 5.660 -9.009 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.445 7.901 -8.860 1.00 0.00 N ATOM 0 H ASN A 128 10.101 4.865 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 128 10.153 7.825 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.937 5.808 -9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 128 9.941 7.553 -9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.462 7.957 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.891 8.753 -8.776 1.00 0.00 H new ATOM 973 N LYS A 129 7.687 7.991 -7.693 1.00 0.00 N ATOM 974 CA LYS A 129 6.234 8.105 -7.718 1.00 0.00 C ATOM 975 C LYS A 129 5.630 7.141 -8.735 1.00 0.00 C ATOM 976 O LYS A 129 4.886 6.230 -8.374 1.00 0.00 O ATOM 977 CB LYS A 129 5.820 9.540 -8.051 1.00 0.00 C ATOM 978 CG LYS A 129 4.326 9.707 -8.267 1.00 0.00 C ATOM 979 CD LYS A 129 3.912 11.168 -8.197 1.00 0.00 C ATOM 980 CE LYS A 129 3.548 11.577 -6.778 1.00 0.00 C ATOM 981 NZ LYS A 129 3.790 13.027 -6.539 1.00 0.00 N ATOM 0 H LYS A 129 8.181 8.850 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 129 5.857 7.845 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.137 10.198 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.347 9.862 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.050 9.296 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.783 9.137 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.726 11.796 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.060 11.338 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.499 11.349 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.132 10.990 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.530 13.266 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.796 13.241 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.213 13.588 -7.198 1.00 0.00 H new ATOM 995 N TRP A 130 5.957 7.348 -10.005 1.00 0.00 N ATOM 996 CA TRP A 130 5.447 6.496 -11.074 1.00 0.00 C ATOM 997 C TRP A 130 5.306 5.054 -10.600 1.00 0.00 C ATOM 998 O TRP A 130 4.242 4.449 -10.731 1.00 0.00 O ATOM 999 CB TRP A 130 6.374 6.558 -12.289 1.00 0.00 C ATOM 1000 CG TRP A 130 7.273 7.758 -12.290 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.638 7.759 -12.250 1.00 0.00 C ATOM 1002 CD2 TRP A 130 6.869 9.131 -12.332 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.108 9.051 -12.264 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.043 9.911 -12.314 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.632 9.778 -12.384 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.012 11.302 -12.346 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.603 11.159 -12.415 1.00 0.00 C ATOM 1008 CH2 TRP A 130 6.786 11.909 -12.397 1.00 0.00 C ATOM 0 H TRP A 130 6.573 8.098 -10.320 1.00 0.00 H new ATOM 0 HA TRP A 130 4.461 6.863 -11.359 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.985 5.656 -12.318 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.771 6.564 -13.197 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.257 6.875 -12.213 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.090 9.325 -12.241 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.714 9.209 -12.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 8.923 11.882 -12.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.652 11.669 -12.454 1.00 0.00 H new ATOM 0 HH2 TRP A 130 6.730 12.987 -12.424 1.00 0.00 H new ATOM 1019 N ASP A 131 6.385 4.509 -10.048 1.00 0.00 N ATOM 1020 CA ASP A 131 6.380 3.138 -9.553 1.00 0.00 C ATOM 1021 C ASP A 131 5.105 2.848 -8.767 1.00 0.00 C ATOM 1022 O ASP A 131 4.473 1.809 -8.953 1.00 0.00 O ATOM 1023 CB ASP A 131 7.605 2.887 -8.672 1.00 0.00 C ATOM 1024 CG ASP A 131 8.858 2.624 -9.484 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.990 3.211 -10.579 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.708 1.833 -9.024 1.00 0.00 O ATOM 0 H ASP A 131 7.274 4.996 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 131 6.416 2.468 -10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.768 3.750 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.412 2.035 -8.021 1.00 0.00 H new ATOM 1031 N ALA A 132 4.735 3.773 -7.888 1.00 0.00 N ATOM 1032 CA ALA A 132 3.535 3.617 -7.075 1.00 0.00 C ATOM 1033 C ALA A 132 2.278 3.898 -7.892 1.00 0.00 C ATOM 1034 O ALA A 132 1.392 3.051 -7.993 1.00 0.00 O ATOM 1035 CB ALA A 132 3.596 4.535 -5.863 1.00 0.00 C ATOM 0 H ALA A 132 5.249 4.638 -7.721 1.00 0.00 H new ATOM 0 HA ALA A 132 3.490 2.583 -6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.694 4.408 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.469 4.285 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.669 5.571 -6.194 1.00 0.00 H new ATOM 1041 N GLU A 133 2.209 5.092 -8.471 1.00 0.00 N ATOM 1042 CA GLU A 133 1.059 5.484 -9.277 1.00 0.00 C ATOM 1043 C GLU A 133 0.642 4.354 -10.215 1.00 0.00 C ATOM 1044 O GLU A 133 -0.502 3.903 -10.189 1.00 0.00 O ATOM 1045 CB GLU A 133 1.380 6.741 -10.087 1.00 0.00 C ATOM 1046 CG GLU A 133 1.378 8.016 -9.259 1.00 0.00 C ATOM 1047 CD GLU A 133 0.967 9.233 -10.064 1.00 0.00 C ATOM 1048 OE1 GLU A 133 1.773 9.694 -10.899 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.162 9.726 -9.858 1.00 0.00 O ATOM 0 H GLU A 133 2.935 5.804 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 133 0.230 5.698 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.358 6.622 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.652 6.840 -10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.698 7.896 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.373 8.178 -8.845 1.00 0.00 H new ATOM 1056 N ASN A 134 1.579 3.904 -11.042 1.00 0.00 N ATOM 1057 CA ASN A 134 1.310 2.828 -11.990 1.00 0.00 C ATOM 1058 C ASN A 134 0.546 1.691 -11.318 1.00 0.00 C ATOM 1059 O ASN A 134 -0.397 1.142 -11.887 1.00 0.00 O ATOM 1060 CB ASN A 134 2.619 2.300 -12.579 1.00 0.00 C ATOM 1061 CG ASN A 134 2.403 1.525 -13.865 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.376 1.675 -14.528 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.372 0.691 -14.223 1.00 0.00 N ATOM 0 H ASN A 134 2.532 4.267 -11.076 1.00 0.00 H new ATOM 0 HA ASN A 134 0.694 3.231 -12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.292 3.136 -12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.110 1.657 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.283 0.142 -15.078 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.206 0.599 -13.643 1.00 0.00 H new ATOM 1070 N ALA A 135 0.960 1.342 -10.104 1.00 0.00 N ATOM 1071 CA ALA A 135 0.314 0.273 -9.354 1.00 0.00 C ATOM 1072 C ALA A 135 -1.062 0.704 -8.859 1.00 0.00 C ATOM 1073 O ALA A 135 -2.062 0.030 -9.110 1.00 0.00 O ATOM 1074 CB ALA A 135 1.188 -0.154 -8.184 1.00 0.00 C ATOM 0 H ALA A 135 1.741 1.785 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 135 0.181 -0.577 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.693 -0.953 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.147 -0.512 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.351 0.697 -7.522 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.107 1.829 -8.154 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.361 2.349 -7.624 1.00 0.00 C ATOM 1082 C ILE A 136 -3.492 2.192 -8.635 1.00 0.00 C ATOM 1083 O ILE A 136 -4.615 1.840 -8.274 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.236 3.835 -7.238 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.256 4.001 -6.075 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.600 4.404 -6.875 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.927 5.444 -5.764 1.00 0.00 C ATOM 0 H ILE A 136 -0.289 2.398 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.591 1.768 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.850 4.387 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.678 3.533 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.334 3.469 -6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.496 5.455 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.271 4.314 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -4.012 3.851 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -0.227 5.486 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.476 5.911 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.840 5.976 -5.499 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.187 2.453 -9.902 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.178 2.339 -10.965 1.00 0.00 C ATOM 1101 C GLN A 137 -4.381 0.882 -11.366 1.00 0.00 C ATOM 1102 O GLN A 137 -5.487 0.351 -11.271 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.748 3.160 -12.182 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.246 4.551 -11.831 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.334 5.128 -12.895 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.317 4.366 -13.281 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.540 6.247 -13.366 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.262 2.745 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.124 2.728 -10.589 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.962 2.623 -12.713 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.592 3.249 -12.866 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.098 5.216 -11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.711 4.511 -10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.334 6.799 -13.041 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -1.917 6.622 -14.082 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.306 0.241 -11.814 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.368 -1.155 -12.231 1.00 0.00 C ATOM 1118 C GLN A 138 -3.730 -2.058 -11.056 1.00 0.00 C ATOM 1119 O GLN A 138 -4.774 -2.708 -11.060 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.029 -1.589 -12.830 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.501 -0.639 -13.893 1.00 0.00 C ATOM 1122 CD GLN A 138 -1.994 -0.987 -15.284 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -1.455 -1.878 -15.941 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -3.024 -0.284 -15.740 1.00 0.00 N ATOM 0 H GLN A 138 -2.382 0.666 -11.897 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.145 -1.248 -12.990 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.293 -1.672 -12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.140 -2.582 -13.265 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -1.805 0.379 -13.648 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.411 -0.658 -13.883 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -3.440 0.446 -15.161 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -3.399 -0.474 -16.669 1.00 0.00 H new ATOM 1133 N MET A 139 -2.859 -2.092 -10.053 1.00 0.00 N ATOM 1134 CA MET A 139 -3.088 -2.915 -8.871 1.00 0.00 C ATOM 1135 C MET A 139 -4.471 -2.650 -8.284 1.00 0.00 C ATOM 1136 O MET A 139 -5.151 -3.571 -7.833 1.00 0.00 O ATOM 1137 CB MET A 139 -2.013 -2.643 -7.817 1.00 0.00 C ATOM 1138 CG MET A 139 -0.618 -3.062 -8.250 1.00 0.00 C ATOM 1139 SD MET A 139 -0.561 -4.757 -8.864 1.00 0.00 S ATOM 1140 CE MET A 139 -1.248 -5.645 -7.468 1.00 0.00 C ATOM 0 H MET A 139 -1.989 -1.560 -10.035 1.00 0.00 H new ATOM 0 HA MET A 139 -3.034 -3.961 -9.172 1.00 0.00 H new ATOM 0 HB2 MET A 139 -2.007 -1.579 -7.582 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.274 -3.171 -6.899 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.265 -2.386 -9.028 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.065 -2.962 -7.407 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.023 -6.707 -7.566 1.00 0.00 H new ATOM 0 HE2 MET A 139 -0.811 -5.265 -6.544 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.329 -5.504 -7.443 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.880 -1.385 -8.292 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.180 -1.023 -7.757 1.00 0.00 C ATOM 1152 C GLY A 140 -7.307 -1.822 -8.380 1.00 0.00 C ATOM 1153 O GLY A 140 -7.604 -1.669 -9.564 1.00 0.00 O ATOM 0 H GLY A 140 -4.335 -0.605 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.182 -1.179 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.356 0.039 -7.926 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.936 -2.678 -7.581 1.00 0.00 N ATOM 1158 CA GLY A 141 -9.028 -3.493 -8.080 1.00 0.00 C ATOM 1159 C GLY A 141 -8.559 -4.836 -8.601 1.00 0.00 C ATOM 1160 O GLY A 141 -9.246 -5.474 -9.399 1.00 0.00 O ATOM 0 H GLY A 141 -7.709 -2.822 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.754 -3.650 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.542 -2.957 -8.878 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.384 -5.266 -8.152 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.823 -6.542 -8.580 1.00 0.00 C ATOM 1166 C GLN A 142 -7.031 -7.613 -7.516 1.00 0.00 C ATOM 1167 O GLN A 142 -7.413 -7.312 -6.385 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.331 -6.390 -8.883 1.00 0.00 C ATOM 1169 CG GLN A 142 -5.045 -5.621 -10.162 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.395 -6.409 -11.409 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -5.480 -7.637 -11.377 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -5.600 -5.706 -12.516 1.00 0.00 N ATOM 0 H GLN A 142 -6.802 -4.750 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.342 -6.852 -9.487 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.849 -5.882 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.881 -7.380 -8.956 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.611 -4.689 -10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.989 -5.352 -10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -5.519 -4.689 -12.497 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -5.839 -6.182 -13.386 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.778 -8.864 -7.885 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.939 -9.981 -6.961 1.00 0.00 C ATOM 1183 C TRP A 143 -5.584 -10.486 -6.477 1.00 0.00 C ATOM 1184 O TRP A 143 -4.830 -11.095 -7.237 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.712 -11.118 -7.632 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.197 -10.918 -7.614 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.897 -9.918 -8.226 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.164 -11.738 -6.949 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -11.241 -10.067 -7.982 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.431 -11.177 -7.202 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -10.083 -12.894 -6.167 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.604 -11.731 -6.699 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.249 -13.443 -5.668 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.496 -12.862 -5.936 1.00 0.00 C ATOM 0 H TRP A 143 -6.461 -9.130 -8.817 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.504 -9.628 -6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.378 -11.215 -8.665 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.473 -12.056 -7.131 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.459 -9.126 -8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.978 -9.451 -8.326 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.127 -13.350 -5.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.566 -11.284 -6.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.198 -14.335 -5.061 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.389 -13.316 -5.532 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.281 -10.231 -5.209 1.00 0.00 N ATOM 1206 CA LEU A 144 -4.016 -10.661 -4.624 1.00 0.00 C ATOM 1207 C LEU A 144 -4.209 -11.906 -3.764 1.00 0.00 C ATOM 1208 O LEU A 144 -5.072 -11.941 -2.888 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.412 -9.535 -3.782 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.140 -9.884 -3.008 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -1.020 -10.262 -3.965 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.719 -8.721 -2.123 1.00 0.00 C ATOM 0 H LEU A 144 -5.894 -9.729 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.333 -10.906 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.194 -8.694 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.165 -9.196 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.349 -10.742 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.123 -10.507 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.323 -11.126 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.811 -9.424 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.812 -8.987 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.528 -7.844 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.515 -8.497 -1.413 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.397 -12.928 -4.020 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.493 -14.160 -3.260 1.00 0.00 C ATOM 1226 C GLY A 145 -4.773 -14.920 -3.547 1.00 0.00 C ATOM 1227 O GLY A 145 -4.753 -15.958 -4.207 1.00 0.00 O ATOM 0 H GLY A 145 -2.675 -12.924 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.638 -14.794 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.441 -13.932 -2.195 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.892 -14.402 -3.049 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.171 -15.052 -3.264 1.00 0.00 C ATOM 1233 C GLY A 146 -8.342 -14.116 -3.041 1.00 0.00 C ATOM 1234 O GLY A 146 -9.476 -14.562 -2.862 1.00 0.00 O ATOM 0 H GLY A 146 -5.935 -13.543 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.210 -15.442 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.259 -15.905 -2.592 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.069 -12.816 -3.049 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.108 -11.815 -2.842 1.00 0.00 C ATOM 1240 C ARG A 147 -8.709 -10.480 -3.464 1.00 0.00 C ATOM 1241 O ARG A 147 -7.525 -10.205 -3.660 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.381 -11.633 -1.348 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.407 -12.607 -0.793 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.685 -12.345 0.679 1.00 0.00 C ATOM 1245 NE ARG A 147 -12.036 -12.748 1.061 1.00 0.00 N ATOM 1246 CZ ARG A 147 -12.363 -13.988 1.407 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -11.441 -14.941 1.420 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -13.614 -14.276 1.743 1.00 0.00 N ATOM 0 H ARG A 147 -7.136 -12.431 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.017 -12.166 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.446 -11.751 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.727 -10.615 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.334 -12.523 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.047 -13.628 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.960 -12.886 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -10.550 -11.284 0.890 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.769 -12.038 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -10.478 -14.723 1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -11.695 -15.892 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -14.325 -13.545 1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -13.864 -15.228 2.009 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.704 -9.654 -3.772 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.456 -8.349 -4.372 1.00 0.00 C ATOM 1264 C GLN A 148 -8.586 -7.488 -3.462 1.00 0.00 C ATOM 1265 O GLN A 148 -8.288 -7.870 -2.330 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.778 -7.635 -4.657 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.424 -8.052 -5.968 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.551 -7.127 -6.384 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.565 -7.015 -5.693 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.380 -6.457 -7.517 1.00 0.00 N ATOM 0 H GLN A 148 -10.689 -9.866 -3.616 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.925 -8.505 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.472 -7.833 -3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.604 -6.559 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.667 -8.071 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.809 -9.067 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.524 -6.580 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -13.104 -5.819 -7.847 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.181 -6.327 -3.965 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.345 -5.412 -3.197 1.00 0.00 C ATOM 1281 C ILE A 149 -7.657 -3.960 -3.544 1.00 0.00 C ATOM 1282 O ILE A 149 -8.035 -3.649 -4.673 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.848 -5.677 -3.441 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.469 -5.300 -4.875 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.517 -7.136 -3.166 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.982 -5.109 -5.076 1.00 0.00 C ATOM 0 H ILE A 149 -8.418 -5.997 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.569 -5.588 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.268 -5.058 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.822 -6.078 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.986 -4.380 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.455 -7.308 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.755 -7.374 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.103 -7.773 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.786 -4.844 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.626 -4.311 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.460 -6.035 -4.834 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.493 -3.075 -2.566 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.756 -1.656 -2.768 1.00 0.00 C ATOM 1300 C ARG A 150 -6.475 -0.839 -2.620 1.00 0.00 C ATOM 1301 O ARG A 150 -5.829 -0.861 -1.572 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.805 -1.162 -1.770 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.221 -0.731 -0.435 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.309 -0.298 0.535 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.288 -1.357 0.768 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.206 -1.311 1.726 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.272 -0.263 2.536 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -12.063 -2.313 1.875 1.00 0.00 N ATOM 0 H ARG A 150 -7.179 -3.316 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.137 -1.524 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.344 -0.323 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.533 -1.955 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.653 -1.554 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.522 0.091 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -8.855 -0.009 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -9.815 0.584 0.142 1.00 0.00 H new ATOM 0 HE ARG A 150 -10.265 -2.177 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -10.616 0.510 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -11.978 -0.230 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -12.017 -3.120 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -12.768 -2.276 2.612 1.00 0.00 H new ATOM 1322 N THR A 151 -6.113 -0.120 -3.678 1.00 0.00 N ATOM 1323 CA THR A 151 -4.909 0.702 -3.668 1.00 0.00 C ATOM 1324 C THR A 151 -5.254 2.183 -3.776 1.00 0.00 C ATOM 1325 O THR A 151 -6.061 2.582 -4.614 1.00 0.00 O ATOM 1326 CB THR A 151 -3.959 0.322 -4.819 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.571 0.623 -6.078 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.604 -1.157 -4.762 1.00 0.00 C ATOM 0 H THR A 151 -6.637 -0.090 -4.553 1.00 0.00 H new ATOM 0 HA THR A 151 -4.408 0.517 -2.718 1.00 0.00 H new ATOM 0 HB THR A 151 -3.043 0.903 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 151 -5.304 1.260 -5.942 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.932 -1.402 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.112 -1.377 -3.814 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.513 -1.753 -4.846 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.635 2.994 -2.923 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.877 4.432 -2.924 1.00 0.00 C ATOM 1338 C ASN A 152 -3.723 5.178 -2.261 1.00 0.00 C ATOM 1339 O ASN A 152 -2.931 4.589 -1.525 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.187 4.750 -2.201 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.207 6.156 -1.632 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -5.769 6.388 -0.506 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -6.717 7.102 -2.412 1.00 0.00 N ATOM 0 H ASN A 152 -3.963 2.680 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 152 -4.952 4.762 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -7.020 4.630 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.337 4.032 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -6.757 8.067 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -7.069 6.864 -3.339 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.635 6.476 -2.527 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.578 7.303 -1.956 1.00 0.00 C ATOM 1352 C TRP A 153 -2.559 7.189 -0.436 1.00 0.00 C ATOM 1353 O TRP A 153 -3.407 7.761 0.249 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.766 8.764 -2.368 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.185 9.080 -3.713 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -2.809 9.721 -4.745 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -0.864 8.770 -4.171 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -1.956 9.827 -5.817 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.756 9.252 -5.490 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.238 8.133 -3.595 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.409 9.115 -6.240 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.394 7.998 -4.340 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.473 8.488 -5.650 1.00 0.00 C ATOM 0 H TRP A 153 -4.282 6.979 -3.134 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.623 6.945 -2.340 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.831 8.998 -2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.304 9.408 -1.620 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -3.824 10.090 -4.722 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.180 10.263 -6.711 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.187 7.753 -2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.471 9.490 -7.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.251 7.506 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.392 8.369 -6.205 1.00 0.00 H new