USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 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+ -143:sc= 0.0706 (180deg=0) USER MOD Set 1.2: A 121 TYR OH : rot -15:sc= -0.992 USER MOD Set 2.1: A 79 HIS : no HD1:sc= -0.746! C(o=0.24!,f=-4.2!) USER MOD Set 2.2: A 125 SER OG : rot -84:sc= 0.982 USER MOD Single : A 86 SER OG : rot -174:sc= 0.85 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0613) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 162:sc= -0.0374 (180deg=-0.359) USER MOD Single : A 115 THR OG1 : rot 170:sc= -0.299 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0309 USER MOD Single : A 128 ASN : amide:sc= 0.0134 X(o=0.013,f=-0.2) USER MOD Single : A 129 LYS NZ :NH3+ -163:sc= -0.0177 (180deg=-0.166) USER MOD Single : A 134 ASN : amide:sc= -0.0719 K(o=-0.072,f=-1.6!) USER MOD Single : A 137 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.27) USER MOD Single : A 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl -158:sc= -6.3! (180deg=-7.96!) USER MOD Single : A 142 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Single : A 148 GLN : amide:sc= 0.899 K(o=0.9,f=-0.12) USER MOD Single : A 151 THR OG1 : rot 86:sc= -1.75! USER MOD Single : A 152 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.531 7.342 -1.695 1.00 0.00 N ATOM 196 CA PHE A 78 6.082 7.454 -1.811 1.00 0.00 C ATOM 197 C PHE A 78 5.395 6.195 -1.290 1.00 0.00 C ATOM 198 O PHE A 78 5.571 5.107 -1.838 1.00 0.00 O ATOM 199 CB PHE A 78 5.683 7.700 -3.268 1.00 0.00 C ATOM 200 CG PHE A 78 6.287 8.945 -3.853 1.00 0.00 C ATOM 201 CD1 PHE A 78 5.821 10.196 -3.484 1.00 0.00 C ATOM 202 CD2 PHE A 78 7.322 8.864 -4.771 1.00 0.00 C ATOM 203 CE1 PHE A 78 6.375 11.343 -4.021 1.00 0.00 C ATOM 204 CE2 PHE A 78 7.879 10.007 -5.311 1.00 0.00 C ATOM 205 CZ PHE A 78 7.406 11.248 -4.935 1.00 0.00 C ATOM 0 HA PHE A 78 5.759 8.300 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.985 6.842 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.597 7.768 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.016 10.276 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.698 7.896 -5.068 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.002 12.313 -3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.684 9.930 -6.027 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.841 12.143 -5.355 1.00 0.00 H new ATOM 215 N HIS A 79 4.613 6.353 -0.227 1.00 0.00 N ATOM 216 CA HIS A 79 3.899 5.229 0.370 1.00 0.00 C ATOM 217 C HIS A 79 2.589 4.965 -0.366 1.00 0.00 C ATOM 218 O HIS A 79 2.031 5.860 -1.001 1.00 0.00 O ATOM 219 CB HIS A 79 3.621 5.502 1.848 1.00 0.00 C ATOM 220 CG HIS A 79 4.726 6.239 2.540 1.00 0.00 C ATOM 221 ND1 HIS A 79 5.979 6.405 1.990 1.00 0.00 N ATOM 222 CD2 HIS A 79 4.760 6.858 3.744 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.737 7.092 2.826 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.021 7.379 3.898 1.00 0.00 N ATOM 0 H HIS A 79 4.457 7.247 0.239 1.00 0.00 H new ATOM 0 HA HIS A 79 4.528 4.343 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.700 6.079 1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.453 4.554 2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.947 6.929 4.451 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.767 7.371 2.661 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.351 7.903 4.709 1.00 0.00 H new ATOM 232 N VAL A 80 2.105 3.730 -0.278 1.00 0.00 N ATOM 233 CA VAL A 80 0.861 3.348 -0.936 1.00 0.00 C ATOM 234 C VAL A 80 -0.033 2.545 0.003 1.00 0.00 C ATOM 235 O VAL A 80 0.432 1.642 0.698 1.00 0.00 O ATOM 236 CB VAL A 80 1.129 2.520 -2.206 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.146 1.835 -2.676 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.707 3.400 -3.304 1.00 0.00 C ATOM 0 H VAL A 80 2.555 2.977 0.242 1.00 0.00 H new ATOM 0 HA VAL A 80 0.353 4.272 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 80 1.861 1.748 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.063 1.254 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.513 1.172 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.903 2.587 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.890 2.798 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.001 4.195 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.645 3.838 -2.963 1.00 0.00 H new ATOM 248 N PHE A 81 -1.319 2.880 0.018 1.00 0.00 N ATOM 249 CA PHE A 81 -2.278 2.191 0.872 1.00 0.00 C ATOM 250 C PHE A 81 -2.845 0.960 0.169 1.00 0.00 C ATOM 251 O PHE A 81 -3.326 1.043 -0.961 1.00 0.00 O ATOM 252 CB PHE A 81 -3.415 3.136 1.265 1.00 0.00 C ATOM 253 CG PHE A 81 -4.665 2.424 1.698 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.701 1.725 2.893 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.803 2.453 0.908 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.849 1.069 3.295 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.955 1.799 1.305 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.977 1.105 2.499 1.00 0.00 C ATOM 0 H PHE A 81 -1.721 3.625 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.757 1.867 1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.076 3.782 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.649 3.782 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.821 1.692 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.790 2.992 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.864 0.529 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.837 1.831 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.875 0.591 2.810 1.00 0.00 H new ATOM 268 N VAL A 82 -2.784 -0.182 0.848 1.00 0.00 N ATOM 269 CA VAL A 82 -3.291 -1.430 0.290 1.00 0.00 C ATOM 270 C VAL A 82 -4.256 -2.111 1.255 1.00 0.00 C ATOM 271 O VAL A 82 -3.851 -2.617 2.300 1.00 0.00 O ATOM 272 CB VAL A 82 -2.144 -2.402 -0.043 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.634 -3.510 -0.964 1.00 0.00 C ATOM 274 CG2 VAL A 82 -0.977 -1.654 -0.669 1.00 0.00 C ATOM 0 H VAL A 82 -2.389 -0.268 1.784 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.820 -1.175 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.797 -2.859 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.810 -4.187 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.435 -4.063 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.008 -3.074 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.175 -2.356 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.307 -1.168 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.611 -0.901 0.029 1.00 0.00 H new ATOM 284 N GLY A 83 -5.536 -2.119 0.896 1.00 0.00 N ATOM 285 CA GLY A 83 -6.539 -2.741 1.740 1.00 0.00 C ATOM 286 C GLY A 83 -7.189 -3.941 1.081 1.00 0.00 C ATOM 287 O GLY A 83 -6.814 -4.329 -0.026 1.00 0.00 O ATOM 0 H GLY A 83 -5.896 -1.706 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.078 -3.051 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.306 -2.007 1.988 1.00 0.00 H new ATOM 291 N ASP A 84 -8.165 -4.532 1.761 1.00 0.00 N ATOM 292 CA ASP A 84 -8.868 -5.696 1.235 1.00 0.00 C ATOM 293 C ASP A 84 -7.901 -6.850 0.989 1.00 0.00 C ATOM 294 O ASP A 84 -8.007 -7.560 -0.011 1.00 0.00 O ATOM 295 CB ASP A 84 -9.593 -5.337 -0.063 1.00 0.00 C ATOM 296 CG ASP A 84 -10.697 -4.320 0.153 1.00 0.00 C ATOM 297 OD1 ASP A 84 -10.479 -3.362 0.924 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.778 -4.482 -0.450 1.00 0.00 O ATOM 0 H ASP A 84 -8.488 -4.224 2.678 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.602 -6.012 1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.874 -4.941 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.016 -6.241 -0.501 1.00 0.00 H new ATOM 303 N LEU A 85 -6.959 -7.031 1.908 1.00 0.00 N ATOM 304 CA LEU A 85 -5.971 -8.098 1.791 1.00 0.00 C ATOM 305 C LEU A 85 -6.364 -9.299 2.645 1.00 0.00 C ATOM 306 O LEU A 85 -6.627 -9.164 3.840 1.00 0.00 O ATOM 307 CB LEU A 85 -4.590 -7.590 2.209 1.00 0.00 C ATOM 308 CG LEU A 85 -4.178 -6.228 1.649 1.00 0.00 C ATOM 309 CD1 LEU A 85 -3.008 -5.659 2.436 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.826 -6.342 0.173 1.00 0.00 C ATOM 0 H LEU A 85 -6.858 -6.453 2.742 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.934 -8.413 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.558 -7.538 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.846 -8.326 1.904 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.022 -5.546 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.729 -4.690 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.296 -5.539 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.159 -6.340 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.535 -5.363 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.998 -7.040 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.692 -6.704 -0.381 1.00 0.00 H new ATOM 322 N SER A 86 -6.399 -10.474 2.025 1.00 0.00 N ATOM 323 CA SER A 86 -6.761 -11.699 2.728 1.00 0.00 C ATOM 324 C SER A 86 -5.906 -11.881 3.978 1.00 0.00 C ATOM 325 O SER A 86 -4.783 -11.385 4.070 1.00 0.00 O ATOM 326 CB SER A 86 -6.600 -12.909 1.805 1.00 0.00 C ATOM 327 OG SER A 86 -6.253 -14.069 2.540 1.00 0.00 O ATOM 0 H SER A 86 -6.181 -10.604 1.037 1.00 0.00 H new ATOM 0 HA SER A 86 -7.805 -11.619 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.530 -13.083 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.831 -12.703 1.061 1.00 0.00 H new ATOM 0 HG SER A 86 -6.068 -14.806 1.921 1.00 0.00 H new ATOM 333 N PRO A 87 -6.448 -12.611 4.964 1.00 0.00 N ATOM 334 CA PRO A 87 -5.752 -12.876 6.227 1.00 0.00 C ATOM 335 C PRO A 87 -4.568 -13.820 6.048 1.00 0.00 C ATOM 336 O PRO A 87 -3.748 -13.979 6.953 1.00 0.00 O ATOM 337 CB PRO A 87 -6.830 -13.530 7.095 1.00 0.00 C ATOM 338 CG PRO A 87 -7.783 -14.137 6.123 1.00 0.00 C ATOM 339 CD PRO A 87 -7.782 -13.232 4.923 1.00 0.00 C ATOM 0 HA PRO A 87 -5.330 -11.968 6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.403 -14.285 7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.326 -12.796 7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.473 -15.146 5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.782 -14.215 6.552 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.937 -13.790 3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.574 -12.486 4.982 1.00 0.00 H new ATOM 347 N GLU A 88 -4.484 -14.442 4.877 1.00 0.00 N ATOM 348 CA GLU A 88 -3.398 -15.370 4.582 1.00 0.00 C ATOM 349 C GLU A 88 -2.236 -14.650 3.904 1.00 0.00 C ATOM 350 O GLU A 88 -1.165 -15.226 3.708 1.00 0.00 O ATOM 351 CB GLU A 88 -3.898 -16.507 3.688 1.00 0.00 C ATOM 352 CG GLU A 88 -3.722 -16.237 2.203 1.00 0.00 C ATOM 353 CD GLU A 88 -4.794 -16.898 1.359 1.00 0.00 C ATOM 354 OE1 GLU A 88 -4.758 -18.138 1.217 1.00 0.00 O ATOM 355 OE2 GLU A 88 -5.670 -16.174 0.840 1.00 0.00 O ATOM 0 H GLU A 88 -5.154 -14.321 4.117 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.044 -15.787 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.366 -17.422 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.954 -16.682 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.739 -15.161 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.743 -16.595 1.886 1.00 0.00 H new ATOM 362 N ILE A 89 -2.455 -13.388 3.549 1.00 0.00 N ATOM 363 CA ILE A 89 -1.427 -12.589 2.895 1.00 0.00 C ATOM 364 C ILE A 89 -0.400 -12.083 3.902 1.00 0.00 C ATOM 365 O ILE A 89 -0.752 -11.650 5.001 1.00 0.00 O ATOM 366 CB ILE A 89 -2.037 -11.386 2.151 1.00 0.00 C ATOM 367 CG1 ILE A 89 -3.033 -11.865 1.093 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.940 -10.547 1.512 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.400 -12.694 -0.002 1.00 0.00 C ATOM 0 H ILE A 89 -3.336 -12.897 3.704 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.934 -13.240 2.173 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.570 -10.765 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.812 -12.453 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.520 -10.999 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.387 -9.701 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.265 -10.181 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.382 -11.158 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.165 -12.999 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.641 -12.102 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.937 -13.579 0.434 1.00 0.00 H new ATOM 381 N THR A 90 0.872 -12.137 3.521 1.00 0.00 N ATOM 382 CA THR A 90 1.951 -11.684 4.390 1.00 0.00 C ATOM 383 C THR A 90 2.732 -10.543 3.747 1.00 0.00 C ATOM 384 O THR A 90 2.635 -10.312 2.541 1.00 0.00 O ATOM 385 CB THR A 90 2.922 -12.831 4.725 1.00 0.00 C ATOM 386 OG1 THR A 90 3.872 -12.397 5.705 1.00 0.00 O ATOM 387 CG2 THR A 90 3.653 -13.304 3.477 1.00 0.00 C ATOM 0 H THR A 90 1.181 -12.490 2.615 1.00 0.00 H new ATOM 0 HA THR A 90 1.488 -11.330 5.311 1.00 0.00 H new ATOM 0 HB THR A 90 2.343 -13.663 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.485 -13.132 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.333 -14.114 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.929 -13.660 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.221 -12.476 3.053 1.00 0.00 H new ATOM 395 N THR A 91 3.508 -9.832 4.559 1.00 0.00 N ATOM 396 CA THR A 91 4.306 -8.715 4.069 1.00 0.00 C ATOM 397 C THR A 91 4.900 -9.022 2.699 1.00 0.00 C ATOM 398 O THR A 91 4.839 -8.198 1.788 1.00 0.00 O ATOM 399 CB THR A 91 5.447 -8.369 5.045 1.00 0.00 C ATOM 400 OG1 THR A 91 4.908 -7.829 6.257 1.00 0.00 O ATOM 401 CG2 THR A 91 6.407 -7.368 4.421 1.00 0.00 C ATOM 0 H THR A 91 3.601 -10.010 5.559 1.00 0.00 H new ATOM 0 HA THR A 91 3.635 -7.860 3.987 1.00 0.00 H new ATOM 0 HB THR A 91 5.995 -9.284 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.639 -7.613 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.204 -7.139 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.838 -7.793 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.868 -6.454 4.172 1.00 0.00 H new ATOM 409 N GLU A 92 5.474 -10.213 2.562 1.00 0.00 N ATOM 410 CA GLU A 92 6.080 -10.628 1.302 1.00 0.00 C ATOM 411 C GLU A 92 5.067 -10.556 0.162 1.00 0.00 C ATOM 412 O GLU A 92 5.274 -9.847 -0.822 1.00 0.00 O ATOM 413 CB GLU A 92 6.631 -12.051 1.420 1.00 0.00 C ATOM 414 CG GLU A 92 7.795 -12.174 2.389 1.00 0.00 C ATOM 415 CD GLU A 92 8.678 -13.370 2.091 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.383 -14.469 2.604 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.665 -13.206 1.343 1.00 0.00 O ATOM 0 H GLU A 92 5.532 -10.907 3.307 1.00 0.00 H new ATOM 0 HA GLU A 92 6.900 -9.946 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.830 -12.716 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.952 -12.390 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.395 -11.265 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.410 -12.256 3.405 1.00 0.00 H new ATOM 424 N ASP A 93 3.973 -11.296 0.304 1.00 0.00 N ATOM 425 CA ASP A 93 2.927 -11.316 -0.713 1.00 0.00 C ATOM 426 C ASP A 93 2.754 -9.937 -1.341 1.00 0.00 C ATOM 427 O ASP A 93 2.884 -9.777 -2.555 1.00 0.00 O ATOM 428 CB ASP A 93 1.604 -11.783 -0.104 1.00 0.00 C ATOM 429 CG ASP A 93 1.435 -13.288 -0.171 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.507 -13.844 -1.287 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.230 -13.911 0.892 1.00 0.00 O ATOM 0 H ASP A 93 3.787 -11.890 1.112 1.00 0.00 H new ATOM 0 HA ASP A 93 3.226 -12.016 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.552 -11.460 0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.777 -11.304 -0.628 1.00 0.00 H new ATOM 436 N ILE A 94 2.458 -8.945 -0.508 1.00 0.00 N ATOM 437 CA ILE A 94 2.267 -7.580 -0.982 1.00 0.00 C ATOM 438 C ILE A 94 3.391 -7.164 -1.926 1.00 0.00 C ATOM 439 O ILE A 94 3.148 -6.807 -3.079 1.00 0.00 O ATOM 440 CB ILE A 94 2.198 -6.582 0.188 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.076 -6.971 1.153 1.00 0.00 C ATOM 442 CG2 ILE A 94 1.988 -5.168 -0.334 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.694 -5.866 2.112 1.00 0.00 C ATOM 0 H ILE A 94 2.345 -9.061 0.499 1.00 0.00 H new ATOM 0 HA ILE A 94 1.319 -7.562 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 94 3.144 -6.612 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.197 -7.261 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.386 -7.846 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.941 -4.474 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.817 -4.894 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.055 -5.122 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.107 -6.212 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.560 -5.591 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.353 -4.997 1.549 1.00 0.00 H new ATOM 455 N LYS A 95 4.622 -7.213 -1.428 1.00 0.00 N ATOM 456 CA LYS A 95 5.785 -6.844 -2.226 1.00 0.00 C ATOM 457 C LYS A 95 5.759 -7.544 -3.582 1.00 0.00 C ATOM 458 O LYS A 95 6.061 -6.938 -4.609 1.00 0.00 O ATOM 459 CB LYS A 95 7.074 -7.200 -1.481 1.00 0.00 C ATOM 460 CG LYS A 95 7.597 -6.078 -0.601 1.00 0.00 C ATOM 461 CD LYS A 95 8.731 -6.553 0.292 1.00 0.00 C ATOM 462 CE LYS A 95 8.211 -7.075 1.623 1.00 0.00 C ATOM 463 NZ LYS A 95 9.294 -7.696 2.435 1.00 0.00 N ATOM 0 H LYS A 95 4.840 -7.505 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 95 5.754 -5.767 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.896 -8.081 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.841 -7.469 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.945 -5.256 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.786 -5.689 0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.290 -7.339 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.425 -5.731 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.761 -6.256 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.425 -7.809 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.881 -8.388 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.968 -8.176 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.790 -6.958 2.975 1.00 0.00 H new ATOM 477 N ALA A 96 5.396 -8.822 -3.576 1.00 0.00 N ATOM 478 CA ALA A 96 5.327 -9.602 -4.805 1.00 0.00 C ATOM 479 C ALA A 96 4.348 -8.981 -5.796 1.00 0.00 C ATOM 480 O ALA A 96 4.503 -9.125 -7.008 1.00 0.00 O ATOM 481 CB ALA A 96 4.930 -11.039 -4.497 1.00 0.00 C ATOM 0 H ALA A 96 5.145 -9.339 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 96 6.316 -9.600 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.882 -11.610 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.670 -11.486 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.953 -11.051 -4.013 1.00 0.00 H new ATOM 487 N ALA A 97 3.340 -8.292 -5.271 1.00 0.00 N ATOM 488 CA ALA A 97 2.337 -7.648 -6.109 1.00 0.00 C ATOM 489 C ALA A 97 2.895 -6.390 -6.766 1.00 0.00 C ATOM 490 O ALA A 97 2.852 -6.244 -7.988 1.00 0.00 O ATOM 491 CB ALA A 97 1.100 -7.314 -5.289 1.00 0.00 C ATOM 0 H ALA A 97 3.197 -8.166 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 97 2.058 -8.345 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.359 -6.833 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.681 -8.230 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.373 -6.639 -4.478 1.00 0.00 H new ATOM 497 N PHE A 98 3.418 -5.484 -5.947 1.00 0.00 N ATOM 498 CA PHE A 98 3.984 -4.237 -6.449 1.00 0.00 C ATOM 499 C PHE A 98 5.448 -4.421 -6.838 1.00 0.00 C ATOM 500 O PHE A 98 6.147 -3.455 -7.140 1.00 0.00 O ATOM 501 CB PHE A 98 3.859 -3.135 -5.394 1.00 0.00 C ATOM 502 CG PHE A 98 2.459 -2.949 -4.884 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.917 -3.838 -3.970 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.685 -1.885 -5.319 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.629 -3.670 -3.498 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.396 -1.711 -4.850 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.133 -2.605 -3.940 1.00 0.00 C ATOM 0 H PHE A 98 3.462 -5.590 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 98 3.425 -3.945 -7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.514 -3.370 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.210 -2.195 -5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.508 -4.672 -3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.093 -1.184 -6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.219 -4.370 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.197 -0.877 -5.195 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.140 -2.472 -3.574 1.00 0.00 H new ATOM 517 N ALA A 99 5.904 -5.669 -6.828 1.00 0.00 N ATOM 518 CA ALA A 99 7.283 -5.981 -7.181 1.00 0.00 C ATOM 519 C ALA A 99 7.588 -5.575 -8.618 1.00 0.00 C ATOM 520 O ALA A 99 8.463 -4.751 -8.884 1.00 0.00 O ATOM 521 CB ALA A 99 7.556 -7.465 -6.980 1.00 0.00 C ATOM 0 H ALA A 99 5.338 -6.480 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 99 7.938 -5.409 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.590 -7.684 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.388 -7.728 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.886 -8.047 -7.613 1.00 0.00 H new ATOM 527 N PRO A 100 6.849 -6.165 -9.570 1.00 0.00 N ATOM 528 CA PRO A 100 7.022 -5.879 -10.997 1.00 0.00 C ATOM 529 C PRO A 100 6.556 -4.476 -11.369 1.00 0.00 C ATOM 530 O PRO A 100 6.649 -4.066 -12.526 1.00 0.00 O ATOM 531 CB PRO A 100 6.144 -6.932 -11.679 1.00 0.00 C ATOM 532 CG PRO A 100 5.111 -7.279 -10.663 1.00 0.00 C ATOM 533 CD PRO A 100 5.788 -7.156 -9.326 1.00 0.00 C ATOM 0 HA PRO A 100 8.070 -5.918 -11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.689 -6.539 -12.588 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.726 -7.807 -11.966 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.256 -6.607 -10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.735 -8.290 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.095 -6.821 -8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.198 -8.110 -8.994 1.00 0.00 H new ATOM 541 N PHE A 101 6.056 -3.743 -10.379 1.00 0.00 N ATOM 542 CA PHE A 101 5.574 -2.384 -10.603 1.00 0.00 C ATOM 543 C PHE A 101 6.617 -1.359 -10.165 1.00 0.00 C ATOM 544 O PHE A 101 6.435 -0.156 -10.348 1.00 0.00 O ATOM 545 CB PHE A 101 4.266 -2.153 -9.844 1.00 0.00 C ATOM 546 CG PHE A 101 3.087 -2.856 -10.455 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.862 -4.201 -10.209 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.203 -2.171 -11.273 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.779 -4.850 -10.771 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.118 -2.815 -11.837 1.00 0.00 C ATOM 551 CZ PHE A 101 0.905 -4.156 -11.584 1.00 0.00 C ATOM 0 H PHE A 101 5.974 -4.067 -9.415 1.00 0.00 H new ATOM 0 HA PHE A 101 5.393 -2.260 -11.671 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.388 -2.491 -8.815 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.061 -1.083 -9.806 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.540 -4.748 -9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.364 -1.122 -11.472 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.616 -5.899 -10.574 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.438 -2.270 -12.475 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.056 -4.661 -12.021 1.00 0.00 H new ATOM 561 N GLY A 102 7.710 -1.846 -9.586 1.00 0.00 N ATOM 562 CA GLY A 102 8.765 -0.960 -9.130 1.00 0.00 C ATOM 563 C GLY A 102 9.456 -1.474 -7.883 1.00 0.00 C ATOM 564 O GLY A 102 8.885 -2.264 -7.130 1.00 0.00 O ATOM 0 H GLY A 102 7.884 -2.838 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.501 -0.837 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.346 0.026 -8.929 1.00 0.00 H new ATOM 568 N ARG A 103 10.688 -1.027 -7.664 1.00 0.00 N ATOM 569 CA ARG A 103 11.458 -1.450 -6.500 1.00 0.00 C ATOM 570 C ARG A 103 10.803 -0.966 -5.210 1.00 0.00 C ATOM 571 O ARG A 103 10.572 0.230 -5.030 1.00 0.00 O ATOM 572 CB ARG A 103 12.890 -0.917 -6.589 1.00 0.00 C ATOM 573 CG ARG A 103 13.849 -1.862 -7.295 1.00 0.00 C ATOM 574 CD ARG A 103 15.101 -1.137 -7.762 1.00 0.00 C ATOM 575 NE ARG A 103 14.912 -0.499 -9.062 1.00 0.00 N ATOM 576 CZ ARG A 103 15.754 0.393 -9.572 1.00 0.00 C ATOM 577 NH1 ARG A 103 16.837 0.750 -8.896 1.00 0.00 N ATOM 578 NH2 ARG A 103 15.513 0.930 -10.762 1.00 0.00 N ATOM 0 H ARG A 103 11.174 -0.372 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 103 11.483 -2.540 -6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.881 0.038 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.260 -0.723 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.126 -2.672 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.350 -2.317 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.379 -0.383 -7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.928 -1.844 -7.822 1.00 0.00 H new ATOM 0 HE ARG A 103 14.089 -0.752 -9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.026 0.340 -7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.482 1.435 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.681 0.658 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.160 1.615 -11.153 1.00 0.00 H new ATOM 592 N ILE A 104 10.506 -1.903 -4.316 1.00 0.00 N ATOM 593 CA ILE A 104 9.879 -1.572 -3.043 1.00 0.00 C ATOM 594 C ILE A 104 10.905 -1.541 -1.915 1.00 0.00 C ATOM 595 O ILE A 104 11.795 -2.389 -1.848 1.00 0.00 O ATOM 596 CB ILE A 104 8.769 -2.578 -2.684 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.910 -2.883 -3.912 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.910 -2.037 -1.551 1.00 0.00 C ATOM 599 CD1 ILE A 104 7.038 -4.108 -3.751 1.00 0.00 C ATOM 0 H ILE A 104 10.690 -2.897 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 104 9.438 -0.582 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 104 9.234 -3.506 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.277 -2.022 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.561 -3.021 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.130 -2.759 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.532 -1.866 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.451 -1.097 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.457 -4.263 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.666 -4.980 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.362 -3.965 -2.908 1.00 0.00 H new ATOM 611 N SER A 105 10.774 -0.558 -1.030 1.00 0.00 N ATOM 612 CA SER A 105 11.691 -0.415 0.095 1.00 0.00 C ATOM 613 C SER A 105 10.993 -0.745 1.411 1.00 0.00 C ATOM 614 O SER A 105 11.370 -1.687 2.107 1.00 0.00 O ATOM 615 CB SER A 105 12.252 1.007 0.144 1.00 0.00 C ATOM 616 OG SER A 105 13.377 1.082 1.004 1.00 0.00 O ATOM 0 H SER A 105 10.042 0.151 -1.070 1.00 0.00 H new ATOM 0 HA SER A 105 12.512 -1.118 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.536 1.324 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.480 1.694 0.489 1.00 0.00 H new ATOM 0 HG SER A 105 13.718 2.001 1.017 1.00 0.00 H new ATOM 622 N ASP A 106 9.974 0.039 1.744 1.00 0.00 N ATOM 623 CA ASP A 106 9.221 -0.169 2.976 1.00 0.00 C ATOM 624 C ASP A 106 7.907 -0.892 2.695 1.00 0.00 C ATOM 625 O ASP A 106 6.962 -0.301 2.173 1.00 0.00 O ATOM 626 CB ASP A 106 8.944 1.170 3.662 1.00 0.00 C ATOM 627 CG ASP A 106 8.271 1.002 5.010 1.00 0.00 C ATOM 628 OD1 ASP A 106 7.148 0.457 5.048 1.00 0.00 O ATOM 629 OD2 ASP A 106 8.867 1.416 6.026 1.00 0.00 O ATOM 0 H ASP A 106 9.650 0.824 1.179 1.00 0.00 H new ATOM 0 HA ASP A 106 9.822 -0.791 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.882 1.709 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.312 1.781 3.017 1.00 0.00 H new ATOM 634 N ALA A 107 7.857 -2.173 3.043 1.00 0.00 N ATOM 635 CA ALA A 107 6.659 -2.976 2.829 1.00 0.00 C ATOM 636 C ALA A 107 6.322 -3.800 4.066 1.00 0.00 C ATOM 637 O ALA A 107 7.159 -4.548 4.572 1.00 0.00 O ATOM 638 CB ALA A 107 6.841 -3.884 1.621 1.00 0.00 C ATOM 0 H ALA A 107 8.632 -2.677 3.474 1.00 0.00 H new ATOM 0 HA ALA A 107 5.827 -2.298 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.939 -4.478 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.026 -3.277 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.689 -4.548 1.789 1.00 0.00 H new ATOM 644 N ARG A 108 5.092 -3.658 4.550 1.00 0.00 N ATOM 645 CA ARG A 108 4.646 -4.388 5.730 1.00 0.00 C ATOM 646 C ARG A 108 3.122 -4.426 5.802 1.00 0.00 C ATOM 647 O ARG A 108 2.440 -3.628 5.159 1.00 0.00 O ATOM 648 CB ARG A 108 5.211 -3.745 6.998 1.00 0.00 C ATOM 649 CG ARG A 108 4.620 -2.378 7.302 1.00 0.00 C ATOM 650 CD ARG A 108 4.831 -1.991 8.758 1.00 0.00 C ATOM 651 NE ARG A 108 4.881 -0.543 8.938 1.00 0.00 N ATOM 652 CZ ARG A 108 5.111 0.045 10.106 1.00 0.00 C ATOM 653 NH1 ARG A 108 5.313 -0.688 11.192 1.00 0.00 N ATOM 654 NH2 ARG A 108 5.141 1.369 10.190 1.00 0.00 N ATOM 0 H ARG A 108 4.387 -3.044 4.143 1.00 0.00 H new ATOM 0 HA ARG A 108 5.015 -5.411 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.027 -4.407 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.292 -3.650 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.079 -1.630 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.554 -2.383 7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 108 4.024 -2.404 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.759 -2.433 9.120 1.00 0.00 H new ATOM 0 HE ARG A 108 4.731 0.050 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.292 -1.706 11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.490 -0.234 12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.987 1.937 9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 108 5.318 1.819 11.088 1.00 0.00 H new ATOM 668 N VAL A 109 2.595 -5.360 6.587 1.00 0.00 N ATOM 669 CA VAL A 109 1.153 -5.503 6.744 1.00 0.00 C ATOM 670 C VAL A 109 0.711 -5.114 8.150 1.00 0.00 C ATOM 671 O VAL A 109 1.137 -5.716 9.135 1.00 0.00 O ATOM 672 CB VAL A 109 0.697 -6.946 6.455 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.807 -7.077 6.640 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.108 -7.363 5.052 1.00 0.00 C ATOM 0 H VAL A 109 3.146 -6.029 7.124 1.00 0.00 H new ATOM 0 HA VAL A 109 0.689 -4.831 6.022 1.00 0.00 H new ATOM 0 HB VAL A 109 1.186 -7.613 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.111 -8.103 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.071 -6.822 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.318 -6.401 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.778 -8.385 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.648 -6.694 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.193 -7.309 4.960 1.00 0.00 H new ATOM 684 N VAL A 110 -0.147 -4.102 8.236 1.00 0.00 N ATOM 685 CA VAL A 110 -0.649 -3.632 9.522 1.00 0.00 C ATOM 686 C VAL A 110 -1.204 -4.786 10.350 1.00 0.00 C ATOM 687 O VAL A 110 -1.967 -5.613 9.849 1.00 0.00 O ATOM 688 CB VAL A 110 -1.748 -2.568 9.341 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.184 -2.017 10.690 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.262 -1.451 8.431 1.00 0.00 C ATOM 0 H VAL A 110 -0.509 -3.592 7.430 1.00 0.00 H new ATOM 0 HA VAL A 110 0.195 -3.185 10.047 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.612 -3.038 8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.961 -1.267 10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.575 -2.828 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.330 -1.561 11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.051 -0.708 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.382 -0.980 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.004 -1.863 7.455 1.00 0.00 H new ATOM 700 N LYS A 111 -0.818 -4.835 11.620 1.00 0.00 N ATOM 701 CA LYS A 111 -1.278 -5.886 12.520 1.00 0.00 C ATOM 702 C LYS A 111 -1.745 -5.299 13.848 1.00 0.00 C ATOM 703 O LYS A 111 -1.264 -4.250 14.277 1.00 0.00 O ATOM 704 CB LYS A 111 -0.161 -6.903 12.763 1.00 0.00 C ATOM 705 CG LYS A 111 0.029 -7.884 11.619 1.00 0.00 C ATOM 706 CD LYS A 111 1.402 -8.534 11.664 1.00 0.00 C ATOM 707 CE LYS A 111 1.792 -9.107 10.311 1.00 0.00 C ATOM 708 NZ LYS A 111 3.209 -9.566 10.290 1.00 0.00 N ATOM 0 H LYS A 111 -0.187 -4.159 12.050 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.122 -6.390 12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.774 -6.369 12.932 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.380 -7.459 13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.741 -8.654 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.098 -7.365 10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.144 -7.799 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.406 -9.328 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.136 -9.943 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.644 -8.351 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.436 -9.950 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.837 -8.763 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.345 -10.306 11.008 1.00 0.00 H new ATOM 722 N ASP A 112 -2.681 -5.983 14.496 1.00 0.00 N ATOM 723 CA ASP A 112 -3.210 -5.531 15.777 1.00 0.00 C ATOM 724 C ASP A 112 -2.103 -5.444 16.822 1.00 0.00 C ATOM 725 O ASP A 112 -1.461 -6.444 17.145 1.00 0.00 O ATOM 726 CB ASP A 112 -4.312 -6.476 16.260 1.00 0.00 C ATOM 727 CG ASP A 112 -5.160 -5.863 17.358 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.034 -4.643 17.593 1.00 0.00 O ATOM 729 OD2 ASP A 112 -5.949 -6.603 17.982 1.00 0.00 O ATOM 0 H ASP A 112 -3.089 -6.853 14.155 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.631 -4.536 15.637 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.951 -6.745 15.419 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.861 -7.399 16.625 1.00 0.00 H new ATOM 734 N MET A 113 -1.884 -4.243 17.347 1.00 0.00 N ATOM 735 CA MET A 113 -0.854 -4.027 18.356 1.00 0.00 C ATOM 736 C MET A 113 -1.228 -4.706 19.670 1.00 0.00 C ATOM 737 O MET A 113 -0.466 -4.673 20.635 1.00 0.00 O ATOM 738 CB MET A 113 -0.641 -2.529 18.585 1.00 0.00 C ATOM 739 CG MET A 113 -1.855 -1.825 19.168 1.00 0.00 C ATOM 740 SD MET A 113 -1.683 -0.030 19.169 1.00 0.00 S ATOM 741 CE MET A 113 -1.840 0.327 17.421 1.00 0.00 C ATOM 0 H MET A 113 -2.406 -3.405 17.091 1.00 0.00 H new ATOM 0 HA MET A 113 0.074 -4.468 17.992 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.207 -2.389 19.256 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.379 -2.059 17.637 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.740 -2.101 18.595 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.015 -2.171 20.189 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.075 1.383 17.285 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.902 0.096 16.917 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.639 -0.280 16.996 1.00 0.00 H new ATOM 751 N ALA A 114 -2.406 -5.319 19.699 1.00 0.00 N ATOM 752 CA ALA A 114 -2.880 -6.007 20.893 1.00 0.00 C ATOM 753 C ALA A 114 -2.607 -7.505 20.809 1.00 0.00 C ATOM 754 O ALA A 114 -2.105 -8.110 21.757 1.00 0.00 O ATOM 755 CB ALA A 114 -4.366 -5.750 21.096 1.00 0.00 C ATOM 0 H ALA A 114 -3.050 -5.353 18.909 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.334 -5.612 21.750 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.706 -6.270 21.991 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.538 -4.680 21.211 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.920 -6.116 20.231 1.00 0.00 H new ATOM 761 N THR A 115 -2.942 -8.100 19.668 1.00 0.00 N ATOM 762 CA THR A 115 -2.734 -9.527 19.461 1.00 0.00 C ATOM 763 C THR A 115 -1.624 -9.780 18.447 1.00 0.00 C ATOM 764 O THR A 115 -0.874 -10.749 18.562 1.00 0.00 O ATOM 765 CB THR A 115 -4.023 -10.218 18.977 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.356 -9.765 17.660 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.179 -9.932 19.924 1.00 0.00 C ATOM 0 H THR A 115 -3.359 -7.615 18.873 1.00 0.00 H new ATOM 0 HA THR A 115 -2.445 -9.947 20.424 1.00 0.00 H new ATOM 0 HB THR A 115 -3.847 -11.294 18.958 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.077 -10.320 17.296 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.078 -10.430 19.562 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.934 -10.303 20.919 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.354 -8.857 19.971 1.00 0.00 H new ATOM 775 N GLY A 116 -1.525 -8.902 17.454 1.00 0.00 N ATOM 776 CA GLY A 116 -0.502 -9.048 16.434 1.00 0.00 C ATOM 777 C GLY A 116 -0.993 -9.824 15.228 1.00 0.00 C ATOM 778 O GLY A 116 -0.222 -10.533 14.581 1.00 0.00 O ATOM 0 H GLY A 116 -2.134 -8.092 17.337 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.167 -8.061 16.115 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.363 -9.555 16.861 1.00 0.00 H new ATOM 782 N LYS A 117 -2.280 -9.692 14.926 1.00 0.00 N ATOM 783 CA LYS A 117 -2.874 -10.387 13.790 1.00 0.00 C ATOM 784 C LYS A 117 -2.998 -9.456 12.587 1.00 0.00 C ATOM 785 O LYS A 117 -3.186 -8.250 12.741 1.00 0.00 O ATOM 786 CB LYS A 117 -4.252 -10.938 14.166 1.00 0.00 C ATOM 787 CG LYS A 117 -4.216 -11.932 15.314 1.00 0.00 C ATOM 788 CD LYS A 117 -3.540 -13.230 14.906 1.00 0.00 C ATOM 789 CE LYS A 117 -3.491 -14.220 16.060 1.00 0.00 C ATOM 790 NZ LYS A 117 -2.839 -15.499 15.666 1.00 0.00 N ATOM 0 H LYS A 117 -2.932 -9.110 15.452 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.219 -11.216 13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.905 -10.108 14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.692 -11.420 13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.685 -11.494 16.159 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.232 -12.140 15.649 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.077 -13.673 14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.527 -13.021 14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.948 -13.778 16.895 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.504 -14.421 16.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -2.825 -16.147 16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.372 -15.934 14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.864 -15.311 15.357 1.00 0.00 H new ATOM 804 N SER A 118 -2.894 -10.026 11.391 1.00 0.00 N ATOM 805 CA SER A 118 -2.992 -9.247 10.162 1.00 0.00 C ATOM 806 C SER A 118 -4.292 -8.448 10.128 1.00 0.00 C ATOM 807 O SER A 118 -5.361 -8.990 9.849 1.00 0.00 O ATOM 808 CB SER A 118 -2.914 -10.166 8.942 1.00 0.00 C ATOM 809 OG SER A 118 -2.805 -9.417 7.745 1.00 0.00 O ATOM 0 H SER A 118 -2.742 -11.024 11.247 1.00 0.00 H new ATOM 0 HA SER A 118 -2.155 -8.549 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.056 -10.831 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.802 -10.796 8.900 1.00 0.00 H new ATOM 0 HG SER A 118 -2.755 -10.028 6.980 1.00 0.00 H new ATOM 815 N LYS A 119 -4.191 -7.154 10.416 1.00 0.00 N ATOM 816 CA LYS A 119 -5.356 -6.277 10.418 1.00 0.00 C ATOM 817 C LYS A 119 -6.131 -6.399 9.109 1.00 0.00 C ATOM 818 O LYS A 119 -7.335 -6.649 9.110 1.00 0.00 O ATOM 819 CB LYS A 119 -4.927 -4.825 10.635 1.00 0.00 C ATOM 820 CG LYS A 119 -4.777 -4.448 12.099 1.00 0.00 C ATOM 821 CD LYS A 119 -5.072 -2.975 12.329 1.00 0.00 C ATOM 822 CE LYS A 119 -4.733 -2.553 13.750 1.00 0.00 C ATOM 823 NZ LYS A 119 -5.112 -1.138 14.014 1.00 0.00 N ATOM 0 H LYS A 119 -3.314 -6.690 10.651 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.008 -6.583 11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.978 -4.655 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.660 -4.165 10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.453 -5.054 12.703 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.764 -4.673 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.499 -2.374 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.126 -2.779 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.249 -3.205 14.455 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.664 -2.681 13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.399 -0.696 14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.163 -0.619 13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.039 -1.109 14.484 1.00 0.00 H new ATOM 837 N GLY A 120 -5.430 -6.221 7.993 1.00 0.00 N ATOM 838 CA GLY A 120 -6.068 -6.316 6.693 1.00 0.00 C ATOM 839 C GLY A 120 -5.408 -5.428 5.657 1.00 0.00 C ATOM 840 O GLY A 120 -5.252 -5.821 4.501 1.00 0.00 O ATOM 0 H GLY A 120 -4.432 -6.013 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.038 -7.351 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.119 -6.041 6.786 1.00 0.00 H new ATOM 844 N TYR A 121 -5.021 -4.226 6.070 1.00 0.00 N ATOM 845 CA TYR A 121 -4.379 -3.278 5.168 1.00 0.00 C ATOM 846 C TYR A 121 -2.865 -3.282 5.362 1.00 0.00 C ATOM 847 O TYR A 121 -2.360 -3.738 6.387 1.00 0.00 O ATOM 848 CB TYR A 121 -4.930 -1.870 5.398 1.00 0.00 C ATOM 849 CG TYR A 121 -4.984 -1.471 6.855 1.00 0.00 C ATOM 850 CD1 TYR A 121 -5.966 -1.977 7.698 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.053 -0.589 7.389 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.020 -1.614 9.030 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.098 -0.222 8.721 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.084 -0.737 9.537 1.00 0.00 C ATOM 855 OH TYR A 121 -5.133 -0.375 10.863 1.00 0.00 O ATOM 0 H TYR A 121 -5.141 -3.885 7.024 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.597 -3.584 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.311 -1.154 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.933 -1.808 4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.699 -2.666 7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.281 -0.183 6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.791 -2.015 9.671 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.366 0.464 9.120 1.00 0.00 H new ATOM 0 HH TYR A 121 -6.004 -0.623 11.238 1.00 0.00 H new ATOM 865 N GLY A 122 -2.147 -2.770 4.367 1.00 0.00 N ATOM 866 CA GLY A 122 -0.698 -2.723 4.446 1.00 0.00 C ATOM 867 C GLY A 122 -0.126 -1.455 3.843 1.00 0.00 C ATOM 868 O GLY A 122 -0.857 -0.644 3.276 1.00 0.00 O ATOM 0 H GLY A 122 -2.542 -2.387 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.391 -2.796 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.281 -3.588 3.930 1.00 0.00 H new ATOM 872 N PHE A 123 1.186 -1.284 3.967 1.00 0.00 N ATOM 873 CA PHE A 123 1.857 -0.105 3.431 1.00 0.00 C ATOM 874 C PHE A 123 2.985 -0.503 2.485 1.00 0.00 C ATOM 875 O PHE A 123 3.739 -1.437 2.758 1.00 0.00 O ATOM 876 CB PHE A 123 2.411 0.754 4.570 1.00 0.00 C ATOM 877 CG PHE A 123 1.345 1.417 5.394 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.530 2.392 4.842 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.158 1.066 6.721 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.453 3.004 5.597 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.177 1.675 7.482 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.628 2.646 6.919 1.00 0.00 C ATOM 0 H PHE A 123 1.806 -1.946 4.434 1.00 0.00 H new ATOM 0 HA PHE A 123 1.124 0.475 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 123 3.025 0.130 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 123 3.065 1.520 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.664 2.677 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.785 0.308 7.166 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.083 3.761 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.040 1.392 8.515 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.393 3.125 7.512 1.00 0.00 H new ATOM 892 N VAL A 124 3.094 0.211 1.369 1.00 0.00 N ATOM 893 CA VAL A 124 4.129 -0.067 0.381 1.00 0.00 C ATOM 894 C VAL A 124 4.742 1.224 -0.150 1.00 0.00 C ATOM 895 O VAL A 124 4.046 2.067 -0.717 1.00 0.00 O ATOM 896 CB VAL A 124 3.573 -0.882 -0.801 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.664 -1.149 -1.827 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.963 -2.186 -0.308 1.00 0.00 C ATOM 0 H VAL A 124 2.478 0.987 1.127 1.00 0.00 H new ATOM 0 HA VAL A 124 4.899 -0.652 0.885 1.00 0.00 H new ATOM 0 HB VAL A 124 2.789 -0.299 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.252 -1.726 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.050 -0.201 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.473 -1.711 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.575 -2.750 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.726 -2.775 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.151 -1.968 0.385 1.00 0.00 H new ATOM 908 N SER A 125 6.050 1.373 0.036 1.00 0.00 N ATOM 909 CA SER A 125 6.757 2.563 -0.421 1.00 0.00 C ATOM 910 C SER A 125 7.540 2.272 -1.698 1.00 0.00 C ATOM 911 O SER A 125 7.974 1.144 -1.931 1.00 0.00 O ATOM 912 CB SER A 125 7.706 3.069 0.668 1.00 0.00 C ATOM 913 OG SER A 125 6.991 3.721 1.703 1.00 0.00 O ATOM 0 H SER A 125 6.641 0.684 0.500 1.00 0.00 H new ATOM 0 HA SER A 125 6.018 3.335 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.269 2.233 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.431 3.757 0.233 1.00 0.00 H new ATOM 0 HG SER A 125 6.830 4.654 1.452 1.00 0.00 H new ATOM 919 N PHE A 126 7.716 3.299 -2.523 1.00 0.00 N ATOM 920 CA PHE A 126 8.445 3.155 -3.778 1.00 0.00 C ATOM 921 C PHE A 126 9.492 4.256 -3.928 1.00 0.00 C ATOM 922 O PHE A 126 9.265 5.401 -3.537 1.00 0.00 O ATOM 923 CB PHE A 126 7.477 3.191 -4.962 1.00 0.00 C ATOM 924 CG PHE A 126 6.409 2.137 -4.896 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.391 2.222 -3.960 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.423 1.062 -5.769 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.408 1.253 -3.896 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.442 0.090 -5.710 1.00 0.00 C ATOM 929 CZ PHE A 126 4.433 0.186 -4.773 1.00 0.00 C ATOM 0 H PHE A 126 7.364 4.240 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 126 8.955 2.192 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.005 4.173 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.041 3.067 -5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.366 3.055 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.210 0.982 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.621 1.330 -3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.465 -0.744 -6.396 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.665 -0.572 -4.726 1.00 0.00 H new ATOM 939 N PHE A 127 10.639 3.900 -4.496 1.00 0.00 N ATOM 940 CA PHE A 127 11.722 4.856 -4.697 1.00 0.00 C ATOM 941 C PHE A 127 11.275 6.001 -5.602 1.00 0.00 C ATOM 942 O PHE A 127 11.725 7.136 -5.451 1.00 0.00 O ATOM 943 CB PHE A 127 12.941 4.157 -5.303 1.00 0.00 C ATOM 944 CG PHE A 127 13.535 3.106 -4.410 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.097 1.794 -4.476 1.00 0.00 C ATOM 946 CD2 PHE A 127 14.532 3.431 -3.504 1.00 0.00 C ATOM 947 CE1 PHE A 127 13.642 0.824 -3.656 1.00 0.00 C ATOM 948 CE2 PHE A 127 15.081 2.465 -2.681 1.00 0.00 C ATOM 949 CZ PHE A 127 14.634 1.161 -2.757 1.00 0.00 C ATOM 0 H PHE A 127 10.843 2.956 -4.825 1.00 0.00 H new ATOM 0 HA PHE A 127 11.994 5.269 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.654 3.698 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.703 4.903 -5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.320 1.525 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 127 14.884 4.450 -3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.292 -0.196 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.858 2.730 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.060 0.405 -2.114 1.00 0.00 H new ATOM 959 N ASN A 128 10.388 5.692 -6.542 1.00 0.00 N ATOM 960 CA ASN A 128 9.881 6.695 -7.473 1.00 0.00 C ATOM 961 C ASN A 128 8.375 6.875 -7.310 1.00 0.00 C ATOM 962 O ASN A 128 7.716 6.096 -6.622 1.00 0.00 O ATOM 963 CB ASN A 128 10.206 6.294 -8.913 1.00 0.00 C ATOM 964 CG ASN A 128 11.646 5.847 -9.079 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.555 6.409 -8.468 1.00 0.00 O ATOM 966 ND2 ASN A 128 11.859 4.832 -9.908 1.00 0.00 N ATOM 0 H ASN A 128 10.005 4.757 -6.680 1.00 0.00 H new ATOM 0 HA ASN A 128 10.369 7.644 -7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.541 5.488 -9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.012 7.138 -9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 128 12.807 4.488 -10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.075 4.397 -10.393 1.00 0.00 H new ATOM 973 N LYS A 129 7.837 7.908 -7.949 1.00 0.00 N ATOM 974 CA LYS A 129 6.408 8.192 -7.878 1.00 0.00 C ATOM 975 C LYS A 129 5.624 7.275 -8.812 1.00 0.00 C ATOM 976 O LYS A 129 4.680 6.607 -8.392 1.00 0.00 O ATOM 977 CB LYS A 129 6.139 9.655 -8.238 1.00 0.00 C ATOM 978 CG LYS A 129 4.683 10.060 -8.088 1.00 0.00 C ATOM 979 CD LYS A 129 4.224 9.965 -6.643 1.00 0.00 C ATOM 980 CE LYS A 129 2.975 10.798 -6.399 1.00 0.00 C ATOM 981 NZ LYS A 129 3.270 12.258 -6.414 1.00 0.00 N ATOM 0 H LYS A 129 8.369 8.563 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 129 6.077 8.009 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.753 10.295 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.452 9.831 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.549 11.081 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.060 9.419 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.023 8.924 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.023 10.303 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.231 10.570 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.539 10.526 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.485 12.775 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.148 12.440 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.384 12.579 -7.397 1.00 0.00 H new ATOM 995 N TRP A 130 6.024 7.248 -10.078 1.00 0.00 N ATOM 996 CA TRP A 130 5.359 6.411 -11.071 1.00 0.00 C ATOM 997 C TRP A 130 5.171 4.991 -10.548 1.00 0.00 C ATOM 998 O TRP A 130 4.045 4.503 -10.443 1.00 0.00 O ATOM 999 CB TRP A 130 6.166 6.387 -12.370 1.00 0.00 C ATOM 1000 CG TRP A 130 7.135 7.524 -12.489 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.487 7.435 -12.657 1.00 0.00 C ATOM 1002 CD2 TRP A 130 6.825 8.921 -12.448 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.037 8.692 -12.722 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.038 9.621 -12.597 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.641 9.649 -12.301 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.099 11.012 -12.602 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.703 11.030 -12.306 1.00 0.00 C ATOM 1008 CH2 TRP A 130 6.924 11.700 -12.457 1.00 0.00 C ATOM 0 H TRP A 130 6.804 7.795 -10.441 1.00 0.00 H new ATOM 0 HA TRP A 130 4.376 6.838 -11.270 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.712 5.446 -12.433 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.480 6.414 -13.216 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.043 6.512 -12.728 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.028 8.900 -12.844 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.695 9.142 -12.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.040 11.530 -12.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.794 11.602 -12.192 1.00 0.00 H new ATOM 0 HH2 TRP A 130 6.939 12.780 -12.459 1.00 0.00 H new ATOM 1019 N ASP A 131 6.278 4.334 -10.222 1.00 0.00 N ATOM 1020 CA ASP A 131 6.234 2.970 -9.708 1.00 0.00 C ATOM 1021 C ASP A 131 5.011 2.762 -8.820 1.00 0.00 C ATOM 1022 O ASP A 131 4.360 1.720 -8.878 1.00 0.00 O ATOM 1023 CB ASP A 131 7.509 2.656 -8.923 1.00 0.00 C ATOM 1024 CG ASP A 131 8.708 2.445 -9.826 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.510 2.033 -10.989 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.844 2.693 -9.371 1.00 0.00 O ATOM 0 H ASP A 131 7.217 4.724 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 131 6.163 2.291 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.717 3.473 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.350 1.762 -8.320 1.00 0.00 H new ATOM 1031 N ALA A 132 4.706 3.762 -7.999 1.00 0.00 N ATOM 1032 CA ALA A 132 3.561 3.690 -7.100 1.00 0.00 C ATOM 1033 C ALA A 132 2.258 3.948 -7.849 1.00 0.00 C ATOM 1034 O ALA A 132 1.391 3.078 -7.921 1.00 0.00 O ATOM 1035 CB ALA A 132 3.723 4.683 -5.959 1.00 0.00 C ATOM 0 H ALA A 132 5.236 4.631 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 132 3.518 2.683 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.861 4.618 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.629 4.450 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.795 5.693 -6.363 1.00 0.00 H new ATOM 1041 N GLU A 133 2.127 5.150 -8.403 1.00 0.00 N ATOM 1042 CA GLU A 133 0.928 5.522 -9.144 1.00 0.00 C ATOM 1043 C GLU A 133 0.469 4.379 -10.045 1.00 0.00 C ATOM 1044 O GLU A 133 -0.653 3.890 -9.922 1.00 0.00 O ATOM 1045 CB GLU A 133 1.189 6.774 -9.984 1.00 0.00 C ATOM 1046 CG GLU A 133 1.074 8.069 -9.197 1.00 0.00 C ATOM 1047 CD GLU A 133 0.633 9.237 -10.057 1.00 0.00 C ATOM 1048 OE1 GLU A 133 0.982 9.258 -11.256 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.062 10.132 -9.531 1.00 0.00 O ATOM 0 H GLU A 133 2.836 5.882 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 133 0.138 5.734 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.187 6.709 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.482 6.799 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.362 7.933 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.037 8.300 -8.743 1.00 0.00 H new ATOM 1056 N ASN A 134 1.346 3.959 -10.952 1.00 0.00 N ATOM 1057 CA ASN A 134 1.031 2.875 -11.875 1.00 0.00 C ATOM 1058 C ASN A 134 0.252 1.768 -11.169 1.00 0.00 C ATOM 1059 O ASN A 134 -0.764 1.292 -11.673 1.00 0.00 O ATOM 1060 CB ASN A 134 2.314 2.304 -12.481 1.00 0.00 C ATOM 1061 CG ASN A 134 2.058 1.549 -13.771 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.058 1.779 -14.450 1.00 0.00 O ATOM 1063 ND2 ASN A 134 2.964 0.640 -14.114 1.00 0.00 N ATOM 0 H ASN A 134 2.280 4.353 -11.067 1.00 0.00 H new ATOM 0 HA ASN A 134 0.409 3.280 -12.673 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.015 3.116 -12.672 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.787 1.637 -11.761 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.845 0.100 -14.971 1.00 0.00 H new ATOM 0 HD22 ASN A 134 3.778 0.482 -13.520 1.00 0.00 H new ATOM 1070 N ALA A 135 0.737 1.365 -9.999 1.00 0.00 N ATOM 1071 CA ALA A 135 0.086 0.317 -9.223 1.00 0.00 C ATOM 1072 C ALA A 135 -1.269 0.783 -8.700 1.00 0.00 C ATOM 1073 O ALA A 135 -2.289 0.133 -8.930 1.00 0.00 O ATOM 1074 CB ALA A 135 0.979 -0.116 -8.069 1.00 0.00 C ATOM 0 H ALA A 135 1.578 1.748 -9.568 1.00 0.00 H new ATOM 0 HA ALA A 135 -0.081 -0.537 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.481 -0.899 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.922 -0.497 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.175 0.738 -7.420 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.271 1.910 -7.997 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.501 2.461 -7.443 1.00 0.00 C ATOM 1082 C ILE A 136 -3.650 2.353 -8.439 1.00 0.00 C ATOM 1083 O ILE A 136 -4.798 2.130 -8.056 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.325 3.937 -7.038 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.202 4.075 -6.008 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.628 4.494 -6.487 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.993 5.495 -5.529 1.00 0.00 C ATOM 0 H ILE A 136 -0.435 2.459 -7.798 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.737 1.874 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 136 -2.053 4.512 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.426 3.440 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.273 3.706 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.487 5.538 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.404 4.425 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.928 3.919 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -0.182 5.518 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.738 6.131 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.908 5.861 -5.064 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.332 2.511 -9.720 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.338 2.429 -10.772 1.00 0.00 C ATOM 1101 C GLN A 137 -4.505 0.993 -11.257 1.00 0.00 C ATOM 1102 O GLN A 137 -5.610 0.452 -11.255 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.955 3.334 -11.945 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.467 4.709 -11.518 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.581 5.363 -12.560 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -2.813 6.505 -12.960 1.00 0.00 O ATOM 1107 NE2 GLN A 137 -1.560 4.642 -13.006 1.00 0.00 N ATOM 0 H GLN A 137 -2.386 2.696 -10.054 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.288 2.765 -10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.175 2.846 -12.530 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.818 3.451 -12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.326 5.351 -11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.916 4.620 -10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -1.405 3.700 -12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -0.930 5.030 -13.708 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.400 0.381 -11.670 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.425 -0.993 -12.158 1.00 0.00 C ATOM 1118 C GLN A 138 -3.743 -1.966 -11.028 1.00 0.00 C ATOM 1119 O GLN A 138 -4.763 -2.654 -11.057 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.082 -1.355 -12.795 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.661 -0.407 -13.907 1.00 0.00 C ATOM 1122 CD GLN A 138 -2.161 -0.846 -15.269 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -3.102 -0.269 -15.814 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -1.532 -1.874 -15.827 1.00 0.00 N ATOM 0 H GLN A 138 -2.477 0.814 -11.677 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.209 -1.070 -12.911 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.313 -1.360 -12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.140 -2.368 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -2.039 0.592 -13.690 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.573 -0.338 -13.928 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -0.756 -2.323 -15.340 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -1.824 -2.215 -16.743 1.00 0.00 H new ATOM 1133 N MET A 139 -2.863 -2.019 -10.033 1.00 0.00 N ATOM 1134 CA MET A 139 -3.051 -2.908 -8.893 1.00 0.00 C ATOM 1135 C MET A 139 -4.425 -2.701 -8.263 1.00 0.00 C ATOM 1136 O MET A 139 -5.053 -3.650 -7.794 1.00 0.00 O ATOM 1137 CB MET A 139 -1.959 -2.671 -7.848 1.00 0.00 C ATOM 1138 CG MET A 139 -0.588 -3.166 -8.280 1.00 0.00 C ATOM 1139 SD MET A 139 -0.576 -4.927 -8.667 1.00 0.00 S ATOM 1140 CE MET A 139 -1.205 -5.615 -7.137 1.00 0.00 C ATOM 0 H MET A 139 -2.013 -1.457 -9.994 1.00 0.00 H new ATOM 0 HA MET A 139 -2.985 -3.935 -9.251 1.00 0.00 H new ATOM 0 HB2 MET A 139 -1.900 -1.604 -7.632 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.241 -3.169 -6.920 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.262 -2.603 -9.155 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.132 -2.967 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 139 -0.902 -6.659 -7.056 1.00 0.00 H new ATOM 0 HE2 MET A 139 -0.803 -5.054 -6.293 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.293 -5.551 -7.129 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.888 -1.454 -8.257 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.184 -1.147 -7.683 1.00 0.00 C ATOM 1152 C GLY A 140 -7.291 -2.012 -8.253 1.00 0.00 C ATOM 1153 O GLY A 140 -7.658 -1.874 -9.419 1.00 0.00 O ATOM 0 H GLY A 140 -4.388 -0.652 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.141 -1.283 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.418 -0.098 -7.863 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.824 -2.908 -7.428 1.00 0.00 N ATOM 1158 CA GLY A 141 -8.889 -3.787 -7.875 1.00 0.00 C ATOM 1159 C GLY A 141 -8.389 -5.177 -8.215 1.00 0.00 C ATOM 1160 O GLY A 141 -9.157 -6.138 -8.204 1.00 0.00 O ATOM 0 H GLY A 141 -7.537 -3.041 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.648 -3.858 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.370 -3.353 -8.751 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.099 -5.283 -8.518 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.499 -6.566 -8.864 1.00 0.00 C ATOM 1166 C GLN A 142 -6.749 -7.597 -7.769 1.00 0.00 C ATOM 1167 O GLN A 142 -7.217 -7.260 -6.681 1.00 0.00 O ATOM 1168 CB GLN A 142 -4.996 -6.404 -9.095 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.649 -5.806 -10.449 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.163 -6.642 -11.605 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -5.695 -7.735 -11.407 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -5.006 -6.132 -12.821 1.00 0.00 N ATOM 0 H GLN A 142 -6.450 -4.496 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 142 -6.965 -6.920 -9.784 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.583 -5.770 -8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.516 -7.378 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.068 -4.802 -10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.567 -5.706 -10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -4.560 -5.223 -12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -5.332 -6.650 -13.637 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.434 -8.853 -8.063 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.625 -9.934 -7.103 1.00 0.00 C ATOM 1183 C TRP A 143 -5.287 -10.422 -6.560 1.00 0.00 C ATOM 1184 O TRP A 143 -4.481 -10.998 -7.292 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.380 -11.094 -7.753 1.00 0.00 C ATOM 1186 CG TRP A 143 -8.862 -10.878 -7.816 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.516 -9.868 -8.462 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -9.873 -11.690 -7.208 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -10.873 -10.003 -8.293 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.118 -11.113 -7.528 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -9.848 -12.848 -6.427 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.323 -11.656 -7.092 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.045 -13.386 -5.995 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.269 -12.791 -6.329 1.00 0.00 C ATOM 0 H TRP A 143 -6.045 -9.148 -8.959 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.214 -9.548 -6.271 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -6.999 -11.245 -8.763 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.177 -12.008 -7.195 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.037 -9.079 -9.023 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.583 -9.378 -8.675 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -8.910 -13.314 -6.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.267 -11.198 -7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.037 -14.280 -5.390 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.188 -13.237 -5.977 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.056 -10.191 -5.272 1.00 0.00 N ATOM 1206 CA LEU A 144 -3.814 -10.608 -4.631 1.00 0.00 C ATOM 1207 C LEU A 144 -4.035 -11.849 -3.772 1.00 0.00 C ATOM 1208 O LEU A 144 -4.948 -11.892 -2.949 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.254 -9.473 -3.772 1.00 0.00 C ATOM 1210 CG LEU A 144 -1.946 -9.769 -3.037 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -0.847 -10.127 -4.025 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.532 -8.579 -2.184 1.00 0.00 C ATOM 0 H LEU A 144 -5.712 -9.717 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.095 -10.853 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.100 -8.603 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.007 -9.197 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.107 -10.623 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.076 -10.334 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.141 -11.010 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.687 -9.293 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.599 -8.808 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.390 -7.706 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.310 -8.369 -1.450 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.189 -12.857 -3.968 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.308 -14.084 -3.203 1.00 0.00 C ATOM 1226 C GLY A 145 -4.550 -14.874 -3.563 1.00 0.00 C ATOM 1227 O GLY A 145 -4.475 -15.864 -4.290 1.00 0.00 O ATOM 0 H GLY A 145 -2.424 -12.845 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.426 -14.702 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.329 -13.845 -2.140 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.697 -14.437 -3.053 1.00 0.00 N ATOM 1232 CA GLY A 146 -6.944 -15.124 -3.335 1.00 0.00 C ATOM 1233 C GLY A 146 -8.149 -14.214 -3.206 1.00 0.00 C ATOM 1234 O GLY A 146 -9.287 -14.682 -3.160 1.00 0.00 O ATOM 0 H GLY A 146 -5.785 -13.619 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -6.909 -15.535 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.054 -15.966 -2.652 1.00 0.00 H new ATOM 1238 N ARG A 147 -7.900 -12.910 -3.145 1.00 0.00 N ATOM 1239 CA ARG A 147 -8.974 -11.932 -3.018 1.00 0.00 C ATOM 1240 C ARG A 147 -8.560 -10.589 -3.611 1.00 0.00 C ATOM 1241 O ARG A 147 -7.372 -10.318 -3.789 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.359 -11.755 -1.548 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.443 -12.713 -1.083 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.580 -12.707 0.432 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.366 -11.571 0.906 1.00 0.00 N ATOM 1246 CZ ARG A 147 -12.694 -11.540 0.892 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -13.381 -12.576 0.432 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -13.338 -10.469 1.340 1.00 0.00 N ATOM 0 H ARG A 147 -6.964 -12.506 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 147 -9.837 -12.303 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.472 -11.895 -0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.699 -10.731 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.394 -12.435 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.210 -13.722 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -11.051 -13.635 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -9.589 -12.677 0.885 1.00 0.00 H new ATOM 0 HE ARG A 147 -10.868 -10.757 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -12.890 -13.401 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -14.401 -12.548 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -12.813 -9.670 1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -14.358 -10.445 1.329 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.547 -9.752 -3.916 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.284 -8.438 -4.490 1.00 0.00 C ATOM 1264 C GLN A 148 -8.469 -7.578 -3.531 1.00 0.00 C ATOM 1265 O GLN A 148 -8.295 -7.928 -2.363 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.599 -7.736 -4.833 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.089 -8.016 -6.244 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.107 -6.999 -6.721 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.144 -6.797 -6.089 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -11.815 -6.351 -7.843 1.00 0.00 N ATOM 0 H GLN A 148 -10.535 -9.961 -3.775 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.706 -8.577 -5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.364 -8.049 -4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.470 -6.661 -4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.238 -8.020 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.531 -9.012 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -10.944 -6.550 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.462 -5.654 -8.213 1.00 0.00 H new ATOM 1279 N ILE A 149 -7.971 -6.452 -4.031 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.175 -5.541 -3.217 1.00 0.00 C ATOM 1281 C ILE A 149 -7.518 -4.087 -3.524 1.00 0.00 C ATOM 1282 O ILE A 149 -7.803 -3.734 -4.668 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.667 -5.760 -3.441 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.288 -5.420 -4.883 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.285 -7.195 -3.111 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.810 -5.164 -5.076 1.00 0.00 C ATOM 0 H ILE A 149 -8.105 -6.149 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.415 -5.756 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.116 -5.096 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.594 -6.239 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.845 -4.538 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.216 -7.334 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.523 -7.404 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -5.842 -7.877 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.615 -4.929 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.502 -4.325 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.247 -6.053 -4.793 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.486 -3.248 -2.494 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.792 -1.832 -2.654 1.00 0.00 C ATOM 1300 C ARG A 150 -6.521 -0.990 -2.593 1.00 0.00 C ATOM 1301 O ARG A 150 -5.764 -1.057 -1.624 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.771 -1.375 -1.570 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.582 0.074 -1.150 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.895 0.702 -0.710 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.602 1.329 -1.823 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.904 1.592 -1.812 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -12.637 1.284 -0.751 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -12.475 2.165 -2.863 1.00 0.00 N ATOM 0 H ARG A 150 -7.251 -3.524 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.252 -1.694 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.790 -1.509 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -8.657 -2.016 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.861 0.126 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -8.165 0.643 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -10.530 -0.062 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -9.700 1.447 0.061 1.00 0.00 H new ATOM 0 HE ARG A 150 -10.067 1.579 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -12.201 0.844 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -13.637 1.487 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -11.914 2.404 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -13.475 2.366 -2.853 1.00 0.00 H new ATOM 1322 N THR A 151 -6.292 -0.198 -3.636 1.00 0.00 N ATOM 1323 CA THR A 151 -5.112 0.655 -3.703 1.00 0.00 C ATOM 1324 C THR A 151 -5.501 2.129 -3.750 1.00 0.00 C ATOM 1325 O THR A 151 -6.373 2.525 -4.522 1.00 0.00 O ATOM 1326 CB THR A 151 -4.248 0.324 -4.935 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.970 0.626 -6.134 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.845 -1.143 -4.935 1.00 0.00 C ATOM 0 H THR A 151 -6.908 -0.130 -4.446 1.00 0.00 H new ATOM 0 HA THR A 151 -4.532 0.464 -2.800 1.00 0.00 H new ATOM 0 HB THR A 151 -3.344 0.932 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.848 1.572 -6.360 1.00 0.00 H new ATOM 0 HG21 THR A 151 -3.236 -1.353 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.271 -1.363 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.739 -1.766 -4.956 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.847 2.935 -2.921 1.00 0.00 N ATOM 1337 CA ASN A 152 -5.125 4.366 -2.868 1.00 0.00 C ATOM 1338 C ASN A 152 -3.932 5.131 -2.303 1.00 0.00 C ATOM 1339 O ASN A 152 -2.991 4.535 -1.779 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.367 4.634 -2.017 1.00 0.00 C ATOM 1341 CG ASN A 152 -7.086 5.905 -2.428 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -7.950 5.888 -3.305 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -6.731 7.017 -1.794 1.00 0.00 N ATOM 0 H ASN A 152 -4.121 2.622 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 152 -5.308 4.713 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -7.051 3.789 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.077 4.706 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -7.180 7.903 -2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -6.010 6.985 -1.073 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.980 6.454 -2.413 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.904 7.301 -1.911 1.00 0.00 C ATOM 1352 C TRP A 153 -2.810 7.221 -0.392 1.00 0.00 C ATOM 1353 O TRP A 153 -3.738 7.607 0.318 1.00 0.00 O ATOM 1354 CB TRP A 153 -3.125 8.751 -2.345 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.542 9.065 -3.690 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -3.178 9.663 -4.740 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -1.206 8.794 -4.129 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.319 9.780 -5.805 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -1.103 9.256 -5.456 1.00 0.00 C ATOM 1360 CE3 TRP A 153 -0.088 8.209 -3.531 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.074 9.148 -6.192 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.080 8.102 -4.262 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.154 8.571 -5.581 1.00 0.00 C ATOM 0 H TRP A 153 -4.751 6.963 -2.845 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.966 6.941 -2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -4.195 8.958 -2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.685 9.416 -1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -4.206 9.995 -4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.549 10.191 -6.710 1.00 0.00 H new ATOM 0 HE3 TRP A 153 -0.135 7.846 -2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.133 9.507 -7.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 1.950 7.650 -3.810 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.082 8.475 -6.126 1.00 0.00 H new