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+ -123:sc= 0.538 (180deg=0) USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= -0.603 USER MOD Set 2.1: A 79 HIS : no HD1:sc= 0.258 K(o=0.54,f=-2.2!) USER MOD Set 2.2: A 125 SER OG : rot 110:sc= 0.281 USER MOD Single : A 86 SER OG : rot -141:sc= -0.916 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= 0.357 (180deg=0.309) USER MOD Single : A 113 MET CE :methyl 157:sc= -0.173 (180deg=-0.71) USER MOD Single : A 115 THR OG1 : rot -160:sc= -0.831 USER MOD Single : A 117 LYS NZ :NH3+ 153:sc= -0.155 (180deg=-1.3) USER MOD Single : A 118 SER OG : rot 180:sc= 0 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= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 137 GLN : amide:sc= -2.15 K(o=-2.1,f=-0.65) USER MOD Single : A 138 GLN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 139 MET CE :methyl -155:sc= -3.22! (180deg=-5.9!) USER MOD Single : A 142 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.58) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 151 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 152 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.542 7.495 -1.884 1.00 0.00 N ATOM 196 CA PHE A 78 6.092 7.569 -2.013 1.00 0.00 C ATOM 197 C PHE A 78 5.426 6.360 -1.362 1.00 0.00 C ATOM 198 O PHE A 78 5.623 5.223 -1.791 1.00 0.00 O ATOM 199 CB PHE A 78 5.693 7.652 -3.488 1.00 0.00 C ATOM 200 CG PHE A 78 6.075 8.950 -4.140 1.00 0.00 C ATOM 201 CD1 PHE A 78 7.395 9.214 -4.468 1.00 0.00 C ATOM 202 CD2 PHE A 78 5.114 9.908 -4.423 1.00 0.00 C ATOM 203 CE1 PHE A 78 7.750 10.407 -5.069 1.00 0.00 C ATOM 204 CE2 PHE A 78 5.463 11.103 -5.024 1.00 0.00 C ATOM 205 CZ PHE A 78 6.783 11.353 -5.346 1.00 0.00 C ATOM 0 HA PHE A 78 5.752 8.469 -1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.162 6.831 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.615 7.515 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.156 8.479 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.081 9.719 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.782 10.599 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.705 11.840 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.058 12.287 -5.814 1.00 0.00 H new ATOM 215 N HIS A 79 4.637 6.615 -0.323 1.00 0.00 N ATOM 216 CA HIS A 79 3.941 5.548 0.388 1.00 0.00 C ATOM 217 C HIS A 79 2.589 5.258 -0.256 1.00 0.00 C ATOM 218 O HIS A 79 1.839 6.176 -0.591 1.00 0.00 O ATOM 219 CB HIS A 79 3.749 5.927 1.857 1.00 0.00 C ATOM 220 CG HIS A 79 4.994 6.442 2.511 1.00 0.00 C ATOM 221 ND1 HIS A 79 6.139 5.686 2.651 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.271 7.647 3.063 1.00 0.00 C ATOM 223 CE1 HIS A 79 7.065 6.403 3.262 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.564 7.597 3.522 1.00 0.00 N ATOM 0 H HIS A 79 4.464 7.550 0.045 1.00 0.00 H new ATOM 0 HA HIS A 79 4.552 4.647 0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.970 6.686 1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.395 5.054 2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.600 8.490 3.130 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.062 6.069 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.057 8.358 3.988 1.00 0.00 H new ATOM 232 N VAL A 80 2.283 3.976 -0.426 1.00 0.00 N ATOM 233 CA VAL A 80 1.021 3.565 -1.030 1.00 0.00 C ATOM 234 C VAL A 80 0.151 2.815 -0.027 1.00 0.00 C ATOM 235 O VAL A 80 0.647 2.013 0.764 1.00 0.00 O ATOM 236 CB VAL A 80 1.253 2.669 -2.261 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.054 2.036 -2.715 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.888 3.469 -3.389 1.00 0.00 C ATOM 0 H VAL A 80 2.892 3.204 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 80 0.509 4.475 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 80 1.939 1.869 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.130 1.407 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.464 1.429 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.766 2.819 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.045 2.821 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.229 4.291 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.846 3.869 -3.057 1.00 0.00 H new ATOM 248 N PHE A 81 -1.151 3.082 -0.066 1.00 0.00 N ATOM 249 CA PHE A 81 -2.091 2.433 0.840 1.00 0.00 C ATOM 250 C PHE A 81 -2.653 1.157 0.219 1.00 0.00 C ATOM 251 O PHE A 81 -3.029 1.137 -0.953 1.00 0.00 O ATOM 252 CB PHE A 81 -3.234 3.388 1.192 1.00 0.00 C ATOM 253 CG PHE A 81 -4.466 2.689 1.693 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.480 2.089 2.941 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.610 2.632 0.913 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.612 1.446 3.405 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.746 1.990 1.372 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.746 1.396 2.618 1.00 0.00 C ATOM 0 H PHE A 81 -1.578 3.743 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.554 2.167 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.890 4.090 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.492 3.974 0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.595 2.124 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.615 3.094 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.610 0.984 4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.632 1.954 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.632 0.893 2.977 1.00 0.00 H new ATOM 268 N VAL A 82 -2.705 0.093 1.014 1.00 0.00 N ATOM 269 CA VAL A 82 -3.220 -1.188 0.543 1.00 0.00 C ATOM 270 C VAL A 82 -4.228 -1.769 1.528 1.00 0.00 C ATOM 271 O VAL A 82 -3.947 -1.896 2.719 1.00 0.00 O ATOM 272 CB VAL A 82 -2.083 -2.205 0.329 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.603 -3.442 -0.388 1.00 0.00 C ATOM 274 CG2 VAL A 82 -0.940 -1.570 -0.447 1.00 0.00 C ATOM 0 H VAL A 82 -2.397 0.092 1.986 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.714 -1.001 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.703 -2.511 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.787 -4.150 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.386 -3.907 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.009 -3.156 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.145 -2.303 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.302 -1.234 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.552 -0.717 0.110 1.00 0.00 H new ATOM 284 N GLY A 83 -5.406 -2.122 1.021 1.00 0.00 N ATOM 285 CA GLY A 83 -6.440 -2.686 1.869 1.00 0.00 C ATOM 286 C GLY A 83 -7.144 -3.862 1.221 1.00 0.00 C ATOM 287 O GLY A 83 -6.929 -4.150 0.043 1.00 0.00 O ATOM 0 H GLY A 83 -5.662 -2.027 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.997 -3.006 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.172 -1.914 2.106 1.00 0.00 H new ATOM 291 N ASP A 84 -7.985 -4.543 1.991 1.00 0.00 N ATOM 292 CA ASP A 84 -8.723 -5.695 1.484 1.00 0.00 C ATOM 293 C ASP A 84 -7.772 -6.826 1.107 1.00 0.00 C ATOM 294 O ASP A 84 -7.816 -7.342 -0.011 1.00 0.00 O ATOM 295 CB ASP A 84 -9.566 -5.295 0.272 1.00 0.00 C ATOM 296 CG ASP A 84 -10.760 -6.207 0.072 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.655 -6.213 0.943 1.00 0.00 O ATOM 298 OD2 ASP A 84 -10.801 -6.913 -0.957 1.00 0.00 O ATOM 0 H ASP A 84 -8.173 -4.318 2.968 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.384 -6.049 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.913 -4.269 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.943 -5.315 -0.623 1.00 0.00 H new ATOM 303 N LEU A 85 -6.912 -7.207 2.045 1.00 0.00 N ATOM 304 CA LEU A 85 -5.949 -8.277 1.811 1.00 0.00 C ATOM 305 C LEU A 85 -6.353 -9.546 2.554 1.00 0.00 C ATOM 306 O LEU A 85 -6.703 -9.502 3.734 1.00 0.00 O ATOM 307 CB LEU A 85 -4.551 -7.838 2.253 1.00 0.00 C ATOM 308 CG LEU A 85 -4.054 -6.509 1.683 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.840 -6.018 2.455 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.726 -6.653 0.204 1.00 0.00 C ATOM 0 H LEU A 85 -6.862 -6.791 2.975 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.936 -8.492 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.540 -7.771 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.842 -8.618 1.975 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.849 -5.770 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.500 -5.071 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.108 -5.875 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.040 -6.755 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.374 -5.698 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.949 -7.406 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.620 -6.959 -0.339 1.00 0.00 H new ATOM 322 N SER A 86 -6.302 -10.676 1.857 1.00 0.00 N ATOM 323 CA SER A 86 -6.665 -11.958 2.450 1.00 0.00 C ATOM 324 C SER A 86 -5.872 -12.209 3.729 1.00 0.00 C ATOM 325 O SER A 86 -4.778 -11.680 3.925 1.00 0.00 O ATOM 326 CB SER A 86 -6.420 -13.093 1.453 1.00 0.00 C ATOM 327 OG SER A 86 -6.526 -12.631 0.118 1.00 0.00 O ATOM 0 H SER A 86 -6.013 -10.730 0.880 1.00 0.00 H new ATOM 0 HA SER A 86 -7.725 -11.927 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.429 -13.517 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.141 -13.892 1.623 1.00 0.00 H new ATOM 0 HG SER A 86 -6.973 -13.310 -0.429 1.00 0.00 H new ATOM 333 N PRO A 87 -6.435 -13.037 4.621 1.00 0.00 N ATOM 334 CA PRO A 87 -5.799 -13.379 5.896 1.00 0.00 C ATOM 335 C PRO A 87 -4.567 -14.258 5.712 1.00 0.00 C ATOM 336 O PRO A 87 -3.809 -14.485 6.655 1.00 0.00 O ATOM 337 CB PRO A 87 -6.894 -14.142 6.646 1.00 0.00 C ATOM 338 CG PRO A 87 -7.764 -14.704 5.575 1.00 0.00 C ATOM 339 CD PRO A 87 -7.737 -13.704 4.452 1.00 0.00 C ATOM 0 HA PRO A 87 -5.440 -12.495 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.472 -14.931 7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.456 -13.481 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.396 -15.674 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.781 -14.856 5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.817 -14.190 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.563 -12.997 4.524 1.00 0.00 H new ATOM 347 N GLU A 88 -4.373 -14.749 4.492 1.00 0.00 N ATOM 348 CA GLU A 88 -3.232 -15.604 4.187 1.00 0.00 C ATOM 349 C GLU A 88 -2.102 -14.798 3.553 1.00 0.00 C ATOM 350 O GLU A 88 -1.051 -15.343 3.213 1.00 0.00 O ATOM 351 CB GLU A 88 -3.652 -16.738 3.249 1.00 0.00 C ATOM 352 CG GLU A 88 -3.935 -16.279 1.828 1.00 0.00 C ATOM 353 CD GLU A 88 -4.225 -17.433 0.889 1.00 0.00 C ATOM 354 OE1 GLU A 88 -4.633 -18.508 1.379 1.00 0.00 O ATOM 355 OE2 GLU A 88 -4.045 -17.263 -0.335 1.00 0.00 O ATOM 0 H GLU A 88 -4.990 -14.570 3.700 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.871 -16.031 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.865 -17.492 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.544 -17.219 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.785 -15.597 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.079 -15.718 1.454 1.00 0.00 H new ATOM 362 N ILE A 89 -2.327 -13.497 3.397 1.00 0.00 N ATOM 363 CA ILE A 89 -1.328 -12.616 2.805 1.00 0.00 C ATOM 364 C ILE A 89 -0.376 -12.073 3.865 1.00 0.00 C ATOM 365 O ILE A 89 -0.799 -11.675 4.951 1.00 0.00 O ATOM 366 CB ILE A 89 -1.987 -11.434 2.069 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.916 -11.945 0.967 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.924 -10.513 1.490 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.200 -12.724 -0.114 1.00 0.00 C ATOM 0 H ILE A 89 -3.191 -13.031 3.672 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.766 -13.213 2.087 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.582 -10.866 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.682 -12.579 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.429 -11.097 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.405 -9.683 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.300 -10.126 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.305 -11.069 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.921 -13.055 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.453 -12.087 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.710 -13.592 0.327 1.00 0.00 H new ATOM 381 N THR A 90 0.914 -12.059 3.543 1.00 0.00 N ATOM 382 CA THR A 90 1.927 -11.565 4.467 1.00 0.00 C ATOM 383 C THR A 90 2.706 -10.405 3.859 1.00 0.00 C ATOM 384 O THR A 90 2.458 -10.005 2.721 1.00 0.00 O ATOM 385 CB THR A 90 2.914 -12.678 4.866 1.00 0.00 C ATOM 386 OG1 THR A 90 3.809 -12.200 5.876 1.00 0.00 O ATOM 387 CG2 THR A 90 3.710 -13.154 3.660 1.00 0.00 C ATOM 0 H THR A 90 1.282 -12.384 2.649 1.00 0.00 H new ATOM 0 HA THR A 90 1.401 -11.220 5.357 1.00 0.00 H new ATOM 0 HB THR A 90 2.341 -13.518 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.432 -12.914 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.400 -13.940 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.028 -13.545 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.273 -12.319 3.243 1.00 0.00 H new ATOM 395 N THR A 91 3.651 -9.867 4.624 1.00 0.00 N ATOM 396 CA THR A 91 4.467 -8.751 4.161 1.00 0.00 C ATOM 397 C THR A 91 5.078 -9.047 2.796 1.00 0.00 C ATOM 398 O THR A 91 5.056 -8.203 1.901 1.00 0.00 O ATOM 399 CB THR A 91 5.596 -8.429 5.158 1.00 0.00 C ATOM 400 OG1 THR A 91 5.042 -8.116 6.441 1.00 0.00 O ATOM 401 CG2 THR A 91 6.437 -7.262 4.664 1.00 0.00 C ATOM 0 H THR A 91 3.870 -10.186 5.568 1.00 0.00 H new ATOM 0 HA THR A 91 3.807 -7.888 4.081 1.00 0.00 H new ATOM 0 HB THR A 91 6.237 -9.307 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.766 -7.914 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.228 -7.053 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.881 -7.515 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.806 -6.380 4.552 1.00 0.00 H new ATOM 409 N GLU A 92 5.621 -10.250 2.644 1.00 0.00 N ATOM 410 CA GLU A 92 6.239 -10.656 1.387 1.00 0.00 C ATOM 411 C GLU A 92 5.231 -10.596 0.242 1.00 0.00 C ATOM 412 O GLU A 92 5.461 -9.929 -0.767 1.00 0.00 O ATOM 413 CB GLU A 92 6.809 -12.071 1.506 1.00 0.00 C ATOM 414 CG GLU A 92 7.830 -12.224 2.620 1.00 0.00 C ATOM 415 CD GLU A 92 8.596 -13.530 2.535 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.839 -14.001 1.404 1.00 0.00 O ATOM 417 OE2 GLU A 92 8.953 -14.080 3.597 1.00 0.00 O ATOM 0 H GLU A 92 5.646 -10.961 3.375 1.00 0.00 H new ATOM 0 HA GLU A 92 7.052 -9.963 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.990 -12.770 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.273 -12.348 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.533 -11.392 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.323 -12.167 3.583 1.00 0.00 H new ATOM 424 N ASP A 93 4.116 -11.299 0.406 1.00 0.00 N ATOM 425 CA ASP A 93 3.073 -11.326 -0.612 1.00 0.00 C ATOM 426 C ASP A 93 2.910 -9.955 -1.260 1.00 0.00 C ATOM 427 O ASP A 93 3.041 -9.812 -2.476 1.00 0.00 O ATOM 428 CB ASP A 93 1.745 -11.777 -0.001 1.00 0.00 C ATOM 429 CG ASP A 93 1.556 -13.279 -0.070 1.00 0.00 C ATOM 430 OD1 ASP A 93 2.026 -13.891 -1.052 1.00 0.00 O ATOM 431 OD2 ASP A 93 0.938 -13.843 0.857 1.00 0.00 O ATOM 0 H ASP A 93 3.911 -11.858 1.234 1.00 0.00 H new ATOM 0 HA ASP A 93 3.370 -12.038 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.700 -11.456 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.923 -11.286 -0.522 1.00 0.00 H new ATOM 436 N ILE A 94 2.622 -8.950 -0.440 1.00 0.00 N ATOM 437 CA ILE A 94 2.441 -7.590 -0.933 1.00 0.00 C ATOM 438 C ILE A 94 3.579 -7.187 -1.865 1.00 0.00 C ATOM 439 O ILE A 94 3.361 -6.904 -3.043 1.00 0.00 O ATOM 440 CB ILE A 94 2.356 -6.578 0.224 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.172 -6.909 1.135 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.234 -5.162 -0.318 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.765 -5.765 2.037 1.00 0.00 C ATOM 0 H ILE A 94 2.509 -9.052 0.569 1.00 0.00 H new ATOM 0 HA ILE A 94 1.501 -7.577 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 94 3.272 -6.644 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.320 -7.196 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.427 -7.772 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.175 -4.458 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.106 -4.930 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.333 -5.082 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.080 -6.071 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.603 -5.492 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.478 -4.907 1.429 1.00 0.00 H new ATOM 455 N LYS A 95 4.794 -7.164 -1.328 1.00 0.00 N ATOM 456 CA LYS A 95 5.969 -6.799 -2.111 1.00 0.00 C ATOM 457 C LYS A 95 5.959 -7.497 -3.467 1.00 0.00 C ATOM 458 O LYS A 95 6.314 -6.903 -4.484 1.00 0.00 O ATOM 459 CB LYS A 95 7.247 -7.160 -1.350 1.00 0.00 C ATOM 460 CG LYS A 95 7.764 -6.040 -0.464 1.00 0.00 C ATOM 461 CD LYS A 95 8.897 -6.514 0.431 1.00 0.00 C ATOM 462 CE LYS A 95 8.374 -7.039 1.760 1.00 0.00 C ATOM 463 NZ LYS A 95 9.451 -7.679 2.566 1.00 0.00 N ATOM 0 H LYS A 95 4.991 -7.394 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 95 5.943 -5.722 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.058 -8.040 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.022 -7.432 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.111 -5.214 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.950 -5.656 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.459 -7.299 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.589 -5.691 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.935 -6.218 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.579 -7.762 1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.055 -8.024 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.853 -8.478 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.198 -6.983 2.762 1.00 0.00 H new ATOM 477 N ALA A 96 5.547 -8.760 -3.474 1.00 0.00 N ATOM 478 CA ALA A 96 5.486 -9.538 -4.705 1.00 0.00 C ATOM 479 C ALA A 96 4.472 -8.947 -5.678 1.00 0.00 C ATOM 480 O ALA A 96 4.648 -9.021 -6.894 1.00 0.00 O ATOM 481 CB ALA A 96 5.143 -10.988 -4.398 1.00 0.00 C ATOM 0 H ALA A 96 5.250 -9.267 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 96 6.468 -9.501 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.101 -11.557 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.907 -11.413 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.175 -11.035 -3.900 1.00 0.00 H new ATOM 487 N ALA A 97 3.410 -8.360 -5.135 1.00 0.00 N ATOM 488 CA ALA A 97 2.368 -7.755 -5.956 1.00 0.00 C ATOM 489 C ALA A 97 2.876 -6.493 -6.645 1.00 0.00 C ATOM 490 O ALA A 97 2.795 -6.365 -7.867 1.00 0.00 O ATOM 491 CB ALA A 97 1.145 -7.441 -5.108 1.00 0.00 C ATOM 0 H ALA A 97 3.249 -8.291 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 97 2.086 -8.470 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.375 -6.990 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.762 -8.361 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.421 -6.747 -4.314 1.00 0.00 H new ATOM 497 N PHE A 98 3.398 -5.562 -5.853 1.00 0.00 N ATOM 498 CA PHE A 98 3.918 -4.308 -6.387 1.00 0.00 C ATOM 499 C PHE A 98 5.387 -4.449 -6.774 1.00 0.00 C ATOM 500 O PHE A 98 6.052 -3.465 -7.097 1.00 0.00 O ATOM 501 CB PHE A 98 3.754 -3.186 -5.361 1.00 0.00 C ATOM 502 CG PHE A 98 2.354 -3.056 -4.832 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.868 -3.952 -3.894 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.524 -2.038 -5.273 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.581 -3.836 -3.405 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.236 -1.916 -4.788 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.237 -2.817 -3.853 1.00 0.00 C ATOM 0 H PHE A 98 3.472 -5.652 -4.840 1.00 0.00 H new ATOM 0 HA PHE A 98 3.348 -4.059 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.433 -3.365 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.051 -2.241 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.503 -4.751 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.888 -1.332 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.215 -4.541 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.400 -1.117 -5.139 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.244 -2.725 -3.473 1.00 0.00 H new ATOM 517 N ALA A 99 5.887 -5.680 -6.738 1.00 0.00 N ATOM 518 CA ALA A 99 7.276 -5.951 -7.086 1.00 0.00 C ATOM 519 C ALA A 99 7.562 -5.575 -8.536 1.00 0.00 C ATOM 520 O ALA A 99 8.411 -4.732 -8.828 1.00 0.00 O ATOM 521 CB ALA A 99 7.605 -7.417 -6.844 1.00 0.00 C ATOM 0 H ALA A 99 5.350 -6.505 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 99 7.911 -5.337 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.646 -7.605 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.449 -7.656 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.956 -8.042 -7.458 1.00 0.00 H new ATOM 527 N PRO A 100 6.840 -6.214 -9.468 1.00 0.00 N ATOM 528 CA PRO A 100 6.999 -5.963 -10.903 1.00 0.00 C ATOM 529 C PRO A 100 6.487 -4.586 -11.311 1.00 0.00 C ATOM 530 O PRO A 100 6.558 -4.207 -12.480 1.00 0.00 O ATOM 531 CB PRO A 100 6.153 -7.061 -11.551 1.00 0.00 C ATOM 532 CG PRO A 100 5.134 -7.412 -10.522 1.00 0.00 C ATOM 533 CD PRO A 100 5.811 -7.231 -9.192 1.00 0.00 C ATOM 0 HA PRO A 100 8.046 -5.978 -11.206 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.683 -6.709 -12.469 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.762 -7.925 -11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.258 -6.769 -10.605 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.789 -8.438 -10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.110 -6.896 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.252 -8.162 -8.835 1.00 0.00 H new ATOM 541 N PHE A 101 5.971 -3.840 -10.339 1.00 0.00 N ATOM 542 CA PHE A 101 5.447 -2.504 -10.598 1.00 0.00 C ATOM 543 C PHE A 101 6.461 -1.435 -10.201 1.00 0.00 C ATOM 544 O PHE A 101 6.297 -0.259 -10.521 1.00 0.00 O ATOM 545 CB PHE A 101 4.138 -2.290 -9.834 1.00 0.00 C ATOM 546 CG PHE A 101 2.978 -3.053 -10.406 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.745 -4.367 -10.034 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.120 -2.456 -11.315 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.679 -5.072 -10.559 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.052 -3.156 -11.844 1.00 0.00 C ATOM 551 CZ PHE A 101 0.831 -4.465 -11.465 1.00 0.00 C ATOM 0 H PHE A 101 5.905 -4.138 -9.366 1.00 0.00 H new ATOM 0 HA PHE A 101 5.255 -2.417 -11.667 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.281 -2.587 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.898 -1.227 -9.832 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.404 -4.846 -9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.287 -1.432 -11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.509 -6.096 -10.261 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.391 -2.680 -12.553 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.004 -5.014 -11.876 1.00 0.00 H new ATOM 561 N GLY A 102 7.511 -1.855 -9.501 1.00 0.00 N ATOM 562 CA GLY A 102 8.536 -0.922 -9.071 1.00 0.00 C ATOM 563 C GLY A 102 9.276 -1.402 -7.838 1.00 0.00 C ATOM 564 O GLY A 102 8.754 -2.208 -7.067 1.00 0.00 O ATOM 0 H GLY A 102 7.670 -2.824 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.248 -0.770 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.078 0.045 -8.863 1.00 0.00 H new ATOM 568 N ARG A 103 10.496 -0.908 -7.652 1.00 0.00 N ATOM 569 CA ARG A 103 11.310 -1.294 -6.505 1.00 0.00 C ATOM 570 C ARG A 103 10.667 -0.831 -5.201 1.00 0.00 C ATOM 571 O ARG A 103 10.427 0.361 -5.006 1.00 0.00 O ATOM 572 CB ARG A 103 12.716 -0.705 -6.630 1.00 0.00 C ATOM 573 CG ARG A 103 13.678 -1.587 -7.409 1.00 0.00 C ATOM 574 CD ARG A 103 14.939 -0.830 -7.796 1.00 0.00 C ATOM 575 NE ARG A 103 14.779 -0.109 -9.056 1.00 0.00 N ATOM 576 CZ ARG A 103 15.797 0.361 -9.768 1.00 0.00 C ATOM 577 NH1 ARG A 103 17.042 0.187 -9.346 1.00 0.00 N ATOM 578 NH2 ARG A 103 15.571 1.007 -10.905 1.00 0.00 N ATOM 0 H ARG A 103 10.942 -0.240 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 103 11.379 -2.382 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.651 0.267 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.120 -0.535 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.944 -2.456 -6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.186 -1.959 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.196 -0.125 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.770 -1.530 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 103 13.834 0.042 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.220 -0.309 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.822 0.549 -9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.615 1.143 -11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.354 1.368 -11.451 1.00 0.00 H new ATOM 592 N ILE A 104 10.390 -1.780 -4.314 1.00 0.00 N ATOM 593 CA ILE A 104 9.776 -1.469 -3.029 1.00 0.00 C ATOM 594 C ILE A 104 10.817 -1.439 -1.915 1.00 0.00 C ATOM 595 O ILE A 104 11.722 -2.272 -1.875 1.00 0.00 O ATOM 596 CB ILE A 104 8.681 -2.489 -2.667 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.773 -2.746 -3.872 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.868 -1.995 -1.480 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.919 -3.987 -3.731 1.00 0.00 C ATOM 0 H ILE A 104 10.581 -2.771 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 104 9.323 -0.482 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 104 9.159 -3.429 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.124 -1.883 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.388 -2.838 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.098 -2.727 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.525 -1.859 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.398 -1.044 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.301 -4.107 -4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.562 -4.860 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.278 -3.890 -2.855 1.00 0.00 H new ATOM 611 N SER A 105 10.680 -0.475 -1.011 1.00 0.00 N ATOM 612 CA SER A 105 11.610 -0.335 0.104 1.00 0.00 C ATOM 613 C SER A 105 10.913 -0.620 1.431 1.00 0.00 C ATOM 614 O SER A 105 11.304 -1.525 2.168 1.00 0.00 O ATOM 615 CB SER A 105 12.210 1.072 0.122 1.00 0.00 C ATOM 616 OG SER A 105 13.159 1.209 1.165 1.00 0.00 O ATOM 0 H SER A 105 9.934 0.221 -1.028 1.00 0.00 H new ATOM 0 HA SER A 105 12.411 -1.062 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.686 1.280 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.416 1.808 0.250 1.00 0.00 H new ATOM 0 HG SER A 105 13.529 2.116 1.154 1.00 0.00 H new ATOM 622 N ASP A 106 9.880 0.160 1.729 1.00 0.00 N ATOM 623 CA ASP A 106 9.127 -0.007 2.967 1.00 0.00 C ATOM 624 C ASP A 106 7.825 -0.761 2.713 1.00 0.00 C ATOM 625 O ASP A 106 6.847 -0.186 2.237 1.00 0.00 O ATOM 626 CB ASP A 106 8.828 1.354 3.595 1.00 0.00 C ATOM 627 CG ASP A 106 8.010 1.238 4.866 1.00 0.00 C ATOM 628 OD1 ASP A 106 8.448 0.523 5.792 1.00 0.00 O ATOM 629 OD2 ASP A 106 6.931 1.863 4.935 1.00 0.00 O ATOM 0 H ASP A 106 9.545 0.915 1.130 1.00 0.00 H new ATOM 0 HA ASP A 106 9.736 -0.591 3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.766 1.863 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.291 1.973 2.876 1.00 0.00 H new ATOM 634 N ALA A 107 7.822 -2.051 3.033 1.00 0.00 N ATOM 635 CA ALA A 107 6.641 -2.883 2.840 1.00 0.00 C ATOM 636 C ALA A 107 6.334 -3.698 4.092 1.00 0.00 C ATOM 637 O ALA A 107 7.206 -4.384 4.627 1.00 0.00 O ATOM 638 CB ALA A 107 6.832 -3.802 1.643 1.00 0.00 C ATOM 0 H ALA A 107 8.624 -2.542 3.427 1.00 0.00 H new ATOM 0 HA ALA A 107 5.792 -2.227 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.942 -4.417 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.995 -3.203 0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.696 -4.445 1.812 1.00 0.00 H new ATOM 644 N ARG A 108 5.091 -3.619 4.554 1.00 0.00 N ATOM 645 CA ARG A 108 4.670 -4.348 5.744 1.00 0.00 C ATOM 646 C ARG A 108 3.149 -4.460 5.804 1.00 0.00 C ATOM 647 O ARG A 108 2.434 -3.713 5.136 1.00 0.00 O ATOM 648 CB ARG A 108 5.191 -3.654 7.004 1.00 0.00 C ATOM 649 CG ARG A 108 4.466 -2.359 7.330 1.00 0.00 C ATOM 650 CD ARG A 108 4.990 -1.735 8.614 1.00 0.00 C ATOM 651 NE ARG A 108 6.333 -1.187 8.447 1.00 0.00 N ATOM 652 CZ ARG A 108 6.854 -0.262 9.246 1.00 0.00 C ATOM 653 NH1 ARG A 108 6.148 0.216 10.261 1.00 0.00 N ATOM 654 NH2 ARG A 108 8.084 0.187 9.030 1.00 0.00 N ATOM 0 H ARG A 108 4.357 -3.057 4.122 1.00 0.00 H new ATOM 0 HA ARG A 108 5.089 -5.353 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.097 -4.336 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.253 -3.444 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.588 -1.655 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.398 -2.553 7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 108 4.313 -0.944 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.000 -2.486 9.404 1.00 0.00 H new ATOM 0 HE ARG A 108 6.902 -1.533 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.202 -0.126 10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 108 6.551 0.926 10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.630 -0.178 8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.483 0.897 9.644 1.00 0.00 H new ATOM 668 N VAL A 109 2.661 -5.400 6.608 1.00 0.00 N ATOM 669 CA VAL A 109 1.226 -5.610 6.756 1.00 0.00 C ATOM 670 C VAL A 109 0.759 -5.243 8.160 1.00 0.00 C ATOM 671 O VAL A 109 1.243 -5.792 9.150 1.00 0.00 O ATOM 672 CB VAL A 109 0.840 -7.072 6.463 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.565 -7.364 6.967 1.00 0.00 C ATOM 674 CG2 VAL A 109 0.953 -7.364 4.974 1.00 0.00 C ATOM 0 H VAL A 109 3.239 -6.028 7.167 1.00 0.00 H new ATOM 0 HA VAL A 109 0.734 -4.960 6.032 1.00 0.00 H new ATOM 0 HB VAL A 109 1.533 -7.726 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.821 -8.401 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.608 -7.196 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.275 -6.704 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.677 -8.401 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.284 -6.704 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.979 -7.196 4.647 1.00 0.00 H new ATOM 684 N VAL A 110 -0.186 -4.312 8.239 1.00 0.00 N ATOM 685 CA VAL A 110 -0.722 -3.873 9.522 1.00 0.00 C ATOM 686 C VAL A 110 -1.265 -5.051 10.323 1.00 0.00 C ATOM 687 O VAL A 110 -1.847 -5.980 9.764 1.00 0.00 O ATOM 688 CB VAL A 110 -1.841 -2.832 9.337 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.357 -2.355 10.686 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.346 -1.660 8.502 1.00 0.00 C ATOM 0 H VAL A 110 -0.596 -3.847 7.429 1.00 0.00 H new ATOM 0 HA VAL A 110 0.102 -3.415 10.069 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.667 -3.304 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.147 -1.620 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.753 -3.203 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.541 -1.900 11.247 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.150 -0.934 8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.502 -1.187 9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.031 -2.019 7.522 1.00 0.00 H new ATOM 700 N LYS A 111 -1.072 -5.005 11.637 1.00 0.00 N ATOM 701 CA LYS A 111 -1.544 -6.067 12.517 1.00 0.00 C ATOM 702 C LYS A 111 -2.064 -5.493 13.831 1.00 0.00 C ATOM 703 O LYS A 111 -1.654 -4.412 14.253 1.00 0.00 O ATOM 704 CB LYS A 111 -0.419 -7.066 12.795 1.00 0.00 C ATOM 705 CG LYS A 111 -0.198 -8.061 11.669 1.00 0.00 C ATOM 706 CD LYS A 111 1.085 -8.851 11.867 1.00 0.00 C ATOM 707 CE LYS A 111 1.520 -9.539 10.582 1.00 0.00 C ATOM 708 NZ LYS A 111 2.329 -8.637 9.716 1.00 0.00 N ATOM 0 H LYS A 111 -0.592 -4.243 12.116 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.363 -6.582 12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.507 -6.518 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.647 -7.611 13.711 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.044 -8.746 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.157 -7.532 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.876 -8.183 12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.938 -9.597 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.103 -10.428 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.640 -9.875 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.448 -9.071 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.842 -7.724 9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.263 -8.486 10.149 1.00 0.00 H new ATOM 722 N ASP A 112 -2.967 -6.225 14.475 1.00 0.00 N ATOM 723 CA ASP A 112 -3.541 -5.790 15.743 1.00 0.00 C ATOM 724 C ASP A 112 -2.464 -5.678 16.817 1.00 0.00 C ATOM 725 O ASP A 112 -1.777 -6.652 17.124 1.00 0.00 O ATOM 726 CB ASP A 112 -4.631 -6.764 16.195 1.00 0.00 C ATOM 727 CG ASP A 112 -5.477 -6.203 17.321 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.206 -5.065 17.757 1.00 0.00 O ATOM 729 OD2 ASP A 112 -6.411 -6.903 17.765 1.00 0.00 O ATOM 0 H ASP A 112 -3.317 -7.122 14.140 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.984 -4.805 15.594 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.273 -7.005 15.348 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.169 -7.696 16.521 1.00 0.00 H new ATOM 734 N MET A 113 -2.322 -4.484 17.383 1.00 0.00 N ATOM 735 CA MET A 113 -1.328 -4.246 18.423 1.00 0.00 C ATOM 736 C MET A 113 -1.743 -4.907 19.734 1.00 0.00 C ATOM 737 O MET A 113 -1.041 -4.808 20.740 1.00 0.00 O ATOM 738 CB MET A 113 -1.131 -2.744 18.636 1.00 0.00 C ATOM 739 CG MET A 113 -2.255 -2.089 19.421 1.00 0.00 C ATOM 740 SD MET A 113 -2.235 -0.290 19.294 1.00 0.00 S ATOM 741 CE MET A 113 -2.672 -0.068 17.572 1.00 0.00 C ATOM 0 H MET A 113 -2.882 -3.667 17.139 1.00 0.00 H new ATOM 0 HA MET A 113 -0.386 -4.686 18.097 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.189 -2.580 19.160 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.045 -2.256 17.665 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.212 -2.464 19.059 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.176 -2.376 20.470 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.094 0.927 17.429 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.781 -0.176 16.954 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.407 -0.819 17.283 1.00 0.00 H new ATOM 751 N ALA A 114 -2.889 -5.580 19.715 1.00 0.00 N ATOM 752 CA ALA A 114 -3.396 -6.258 20.902 1.00 0.00 C ATOM 753 C ALA A 114 -3.172 -7.763 20.812 1.00 0.00 C ATOM 754 O ALA A 114 -2.920 -8.426 21.818 1.00 0.00 O ATOM 755 CB ALA A 114 -4.874 -5.952 21.093 1.00 0.00 C ATOM 0 H ALA A 114 -3.484 -5.670 18.891 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.845 -5.887 21.766 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.240 -6.465 21.983 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.011 -4.877 21.211 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.432 -6.295 20.222 1.00 0.00 H new ATOM 761 N THR A 115 -3.268 -8.300 19.599 1.00 0.00 N ATOM 762 CA THR A 115 -3.078 -9.728 19.377 1.00 0.00 C ATOM 763 C THR A 115 -1.975 -9.984 18.356 1.00 0.00 C ATOM 764 O THR A 115 -1.244 -10.969 18.451 1.00 0.00 O ATOM 765 CB THR A 115 -4.377 -10.399 18.893 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.565 -10.150 17.495 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.576 -9.881 19.672 1.00 0.00 C ATOM 0 H THR A 115 -3.476 -7.766 18.755 1.00 0.00 H new ATOM 0 HA THR A 115 -2.790 -10.161 20.335 1.00 0.00 H new ATOM 0 HB THR A 115 -4.291 -11.472 19.062 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.507 -10.289 17.262 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.482 -10.369 19.313 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.443 -10.098 20.732 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.664 -8.804 19.531 1.00 0.00 H new ATOM 775 N GLY A 116 -1.861 -9.089 17.379 1.00 0.00 N ATOM 776 CA GLY A 116 -0.844 -9.237 16.354 1.00 0.00 C ATOM 777 C GLY A 116 -1.338 -10.023 15.156 1.00 0.00 C ATOM 778 O GLY A 116 -0.550 -10.649 14.446 1.00 0.00 O ATOM 0 H GLY A 116 -2.454 -8.265 17.279 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.516 -8.250 16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.026 -9.737 16.779 1.00 0.00 H new ATOM 782 N LYS A 117 -2.647 -9.993 14.930 1.00 0.00 N ATOM 783 CA LYS A 117 -3.247 -10.709 13.810 1.00 0.00 C ATOM 784 C LYS A 117 -3.378 -9.801 12.591 1.00 0.00 C ATOM 785 O LYS A 117 -3.707 -8.621 12.717 1.00 0.00 O ATOM 786 CB LYS A 117 -4.622 -11.253 14.203 1.00 0.00 C ATOM 787 CG LYS A 117 -4.561 -12.403 15.194 1.00 0.00 C ATOM 788 CD LYS A 117 -5.769 -13.315 15.065 1.00 0.00 C ATOM 789 CE LYS A 117 -6.924 -12.837 15.931 1.00 0.00 C ATOM 790 NZ LYS A 117 -7.495 -11.555 15.435 1.00 0.00 N ATOM 0 H LYS A 117 -3.313 -9.480 15.508 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.593 -11.542 13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.214 -10.445 14.633 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.142 -11.586 13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.650 -12.979 15.029 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.509 -12.008 16.209 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.086 -13.355 14.023 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.493 -14.329 15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.703 -13.599 15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.580 -12.708 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.494 -11.488 15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.966 -10.758 15.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.424 -11.522 14.398 1.00 0.00 H new ATOM 804 N SER A 118 -3.119 -10.358 11.413 1.00 0.00 N ATOM 805 CA SER A 118 -3.206 -9.597 10.172 1.00 0.00 C ATOM 806 C SER A 118 -4.491 -8.776 10.127 1.00 0.00 C ATOM 807 O SER A 118 -5.590 -9.325 10.056 1.00 0.00 O ATOM 808 CB SER A 118 -3.146 -10.538 8.967 1.00 0.00 C ATOM 809 OG SER A 118 -2.687 -9.858 7.811 1.00 0.00 O ATOM 0 H SER A 118 -2.847 -11.334 11.291 1.00 0.00 H new ATOM 0 HA SER A 118 -2.358 -8.914 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.483 -11.375 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.135 -10.956 8.778 1.00 0.00 H new ATOM 0 HG SER A 118 -2.656 -10.481 7.055 1.00 0.00 H new ATOM 815 N LYS A 119 -4.343 -7.456 10.168 1.00 0.00 N ATOM 816 CA LYS A 119 -5.490 -6.556 10.131 1.00 0.00 C ATOM 817 C LYS A 119 -6.189 -6.621 8.777 1.00 0.00 C ATOM 818 O LYS A 119 -7.406 -6.783 8.703 1.00 0.00 O ATOM 819 CB LYS A 119 -5.047 -5.120 10.420 1.00 0.00 C ATOM 820 CG LYS A 119 -4.965 -4.795 11.901 1.00 0.00 C ATOM 821 CD LYS A 119 -5.267 -3.330 12.169 1.00 0.00 C ATOM 822 CE LYS A 119 -4.998 -2.962 13.620 1.00 0.00 C ATOM 823 NZ LYS A 119 -4.954 -1.486 13.818 1.00 0.00 N ATOM 0 H LYS A 119 -3.440 -6.986 10.227 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.195 -6.874 10.899 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.071 -4.951 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.744 -4.431 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.670 -5.419 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.969 -5.036 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.657 -2.706 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.309 -3.122 11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.775 -3.391 14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.051 -3.399 13.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.040 -1.219 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.068 -1.009 12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.723 -1.198 14.456 1.00 0.00 H new ATOM 837 N GLY A 120 -5.409 -6.496 7.707 1.00 0.00 N ATOM 838 CA GLY A 120 -5.972 -6.544 6.370 1.00 0.00 C ATOM 839 C GLY A 120 -5.328 -5.541 5.433 1.00 0.00 C ATOM 840 O GLY A 120 -5.083 -5.840 4.265 1.00 0.00 O ATOM 0 H GLY A 120 -4.398 -6.363 7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.849 -7.548 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.043 -6.351 6.423 1.00 0.00 H new ATOM 844 N TYR A 121 -5.055 -4.346 5.946 1.00 0.00 N ATOM 845 CA TYR A 121 -4.440 -3.294 5.147 1.00 0.00 C ATOM 846 C TYR A 121 -2.943 -3.201 5.427 1.00 0.00 C ATOM 847 O TYR A 121 -2.497 -3.401 6.557 1.00 0.00 O ATOM 848 CB TYR A 121 -5.108 -1.949 5.435 1.00 0.00 C ATOM 849 CG TYR A 121 -5.163 -1.602 6.906 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.151 -2.130 7.728 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.226 -0.748 7.474 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.205 -1.816 9.072 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.272 -0.429 8.817 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.263 -0.965 9.612 1.00 0.00 C ATOM 855 OH TYR A 121 -5.313 -0.651 10.951 1.00 0.00 O ATOM 0 H TYR A 121 -5.250 -4.082 6.912 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.580 -3.544 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.568 -1.164 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.122 -1.964 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.889 -2.797 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.448 -0.326 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.980 -2.234 9.697 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.536 0.237 9.242 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.578 -0.041 11.172 1.00 0.00 H new ATOM 865 N GLY A 122 -2.170 -2.895 4.389 1.00 0.00 N ATOM 866 CA GLY A 122 -0.732 -2.779 4.543 1.00 0.00 C ATOM 867 C GLY A 122 -0.182 -1.512 3.919 1.00 0.00 C ATOM 868 O GLY A 122 -0.931 -0.709 3.363 1.00 0.00 O ATOM 0 H GLY A 122 -2.515 -2.725 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.481 -2.797 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.250 -3.644 4.087 1.00 0.00 H new ATOM 872 N PHE A 123 1.131 -1.330 4.012 1.00 0.00 N ATOM 873 CA PHE A 123 1.781 -0.150 3.455 1.00 0.00 C ATOM 874 C PHE A 123 2.891 -0.547 2.485 1.00 0.00 C ATOM 875 O PHE A 123 3.646 -1.485 2.739 1.00 0.00 O ATOM 876 CB PHE A 123 2.355 0.720 4.575 1.00 0.00 C ATOM 877 CG PHE A 123 1.306 1.453 5.362 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.682 2.571 4.834 1.00 0.00 C ATOM 879 CD2 PHE A 123 0.946 1.023 6.629 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.284 3.248 5.555 1.00 0.00 C ATOM 881 CE2 PHE A 123 -0.020 1.696 7.354 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.634 2.810 6.818 1.00 0.00 C ATOM 0 H PHE A 123 1.766 -1.985 4.468 1.00 0.00 H new ATOM 0 HA PHE A 123 1.031 0.422 2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.933 0.091 5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 123 3.046 1.444 4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.953 2.918 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.425 0.153 7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.764 4.118 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -0.294 1.350 8.340 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.386 3.338 7.385 1.00 0.00 H new ATOM 892 N VAL A 124 2.982 0.174 1.372 1.00 0.00 N ATOM 893 CA VAL A 124 3.998 -0.102 0.364 1.00 0.00 C ATOM 894 C VAL A 124 4.594 1.190 -0.183 1.00 0.00 C ATOM 895 O VAL A 124 3.911 1.968 -0.850 1.00 0.00 O ATOM 896 CB VAL A 124 3.421 -0.923 -0.805 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.511 -1.258 -1.812 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.755 -2.189 -0.288 1.00 0.00 C ATOM 0 H VAL A 124 2.364 0.954 1.146 1.00 0.00 H new ATOM 0 HA VAL A 124 4.781 -0.681 0.854 1.00 0.00 H new ATOM 0 HB VAL A 124 2.665 -0.322 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.084 -1.838 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.939 -0.336 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.292 -1.840 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.353 -2.757 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.489 -2.796 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.945 -1.923 0.391 1.00 0.00 H new ATOM 908 N SER A 125 5.873 1.413 0.103 1.00 0.00 N ATOM 909 CA SER A 125 6.561 2.614 -0.358 1.00 0.00 C ATOM 910 C SER A 125 7.423 2.310 -1.580 1.00 0.00 C ATOM 911 O SER A 125 7.901 1.189 -1.754 1.00 0.00 O ATOM 912 CB SER A 125 7.429 3.191 0.762 1.00 0.00 C ATOM 913 OG SER A 125 7.951 4.458 0.401 1.00 0.00 O ATOM 0 H SER A 125 6.454 0.778 0.651 1.00 0.00 H new ATOM 0 HA SER A 125 5.808 3.350 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.838 3.284 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.248 2.506 0.981 1.00 0.00 H new ATOM 0 HG SER A 125 7.517 5.155 0.936 1.00 0.00 H new ATOM 919 N PHE A 126 7.617 3.318 -2.424 1.00 0.00 N ATOM 920 CA PHE A 126 8.421 3.161 -3.631 1.00 0.00 C ATOM 921 C PHE A 126 9.443 4.287 -3.754 1.00 0.00 C ATOM 922 O PHE A 126 9.208 5.407 -3.300 1.00 0.00 O ATOM 923 CB PHE A 126 7.521 3.136 -4.868 1.00 0.00 C ATOM 924 CG PHE A 126 6.455 2.079 -4.813 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.458 2.131 -3.853 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.451 1.033 -5.722 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.477 1.159 -3.800 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.472 0.058 -5.674 1.00 0.00 C ATOM 929 CZ PHE A 126 4.483 0.122 -4.713 1.00 0.00 C ATOM 0 H PHE A 126 7.229 4.252 -2.295 1.00 0.00 H new ATOM 0 HA PHE A 126 8.957 2.214 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.048 4.111 -4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.137 2.974 -5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.447 2.940 -3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.222 0.979 -6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.706 1.210 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.481 -0.753 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.716 -0.637 -4.675 1.00 0.00 H new ATOM 939 N PHE A 127 10.580 3.981 -4.371 1.00 0.00 N ATOM 940 CA PHE A 127 11.640 4.965 -4.553 1.00 0.00 C ATOM 941 C PHE A 127 11.174 6.105 -5.455 1.00 0.00 C ATOM 942 O PHE A 127 11.548 7.260 -5.255 1.00 0.00 O ATOM 943 CB PHE A 127 12.883 4.303 -5.150 1.00 0.00 C ATOM 944 CG PHE A 127 13.437 3.194 -4.302 1.00 0.00 C ATOM 945 CD1 PHE A 127 12.941 1.905 -4.413 1.00 0.00 C ATOM 946 CD2 PHE A 127 14.454 3.440 -3.394 1.00 0.00 C ATOM 947 CE1 PHE A 127 13.448 0.882 -3.635 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.966 2.421 -2.613 1.00 0.00 C ATOM 949 CZ PHE A 127 14.462 1.141 -2.733 1.00 0.00 C ATOM 0 H PHE A 127 10.790 3.059 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 127 11.891 5.377 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.637 3.908 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.654 5.060 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.148 1.697 -5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 127 14.851 4.439 -3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.052 -0.118 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.760 2.626 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.860 0.344 -2.123 1.00 0.00 H new ATOM 959 N ASN A 128 10.357 5.770 -6.448 1.00 0.00 N ATOM 960 CA ASN A 128 9.841 6.764 -7.381 1.00 0.00 C ATOM 961 C ASN A 128 8.316 6.804 -7.346 1.00 0.00 C ATOM 962 O ASN A 128 7.667 5.836 -6.949 1.00 0.00 O ATOM 963 CB ASN A 128 10.321 6.458 -8.801 1.00 0.00 C ATOM 964 CG ASN A 128 11.810 6.176 -8.860 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.232 5.020 -8.906 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.613 7.233 -8.859 1.00 0.00 N ATOM 0 H ASN A 128 10.038 4.818 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 128 10.219 7.740 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.775 5.598 -9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.088 7.302 -9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.624 7.105 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 128 12.219 8.173 -8.820 1.00 0.00 H new ATOM 973 N LYS A 129 7.749 7.931 -7.764 1.00 0.00 N ATOM 974 CA LYS A 129 6.301 8.098 -7.783 1.00 0.00 C ATOM 975 C LYS A 129 5.657 7.153 -8.792 1.00 0.00 C ATOM 976 O LYS A 129 4.893 6.261 -8.422 1.00 0.00 O ATOM 977 CB LYS A 129 5.938 9.546 -8.120 1.00 0.00 C ATOM 978 CG LYS A 129 4.443 9.788 -8.235 1.00 0.00 C ATOM 979 CD LYS A 129 4.116 11.272 -8.223 1.00 0.00 C ATOM 980 CE LYS A 129 2.687 11.523 -7.765 1.00 0.00 C ATOM 981 NZ LYS A 129 2.504 12.910 -7.254 1.00 0.00 N ATOM 0 H LYS A 129 8.271 8.743 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 129 5.920 7.856 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.346 10.202 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.415 9.822 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.071 9.340 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.929 9.295 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.808 11.793 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.257 11.685 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.003 11.349 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.426 10.810 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.518 13.041 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.138 13.068 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.729 13.590 -8.008 1.00 0.00 H new ATOM 995 N TRP A 130 5.970 7.354 -10.067 1.00 0.00 N ATOM 996 CA TRP A 130 5.423 6.518 -11.129 1.00 0.00 C ATOM 997 C TRP A 130 5.241 5.081 -10.652 1.00 0.00 C ATOM 998 O TRP A 130 4.123 4.566 -10.616 1.00 0.00 O ATOM 999 CB TRP A 130 6.338 6.550 -12.354 1.00 0.00 C ATOM 1000 CG TRP A 130 7.273 7.721 -12.367 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.638 7.680 -12.368 1.00 0.00 C ATOM 1002 CD2 TRP A 130 6.911 9.106 -12.379 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.147 8.957 -12.379 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.108 9.849 -12.387 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.693 9.791 -12.385 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.119 11.242 -12.400 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.706 11.173 -12.398 1.00 0.00 C ATOM 1008 CH2 TRP A 130 6.912 11.886 -12.406 1.00 0.00 C ATOM 0 H TRP A 130 6.600 8.088 -10.390 1.00 0.00 H new ATOM 0 HA TRP A 130 4.446 6.916 -11.404 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.920 5.629 -12.388 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.726 6.573 -13.255 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.231 6.777 -12.361 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.138 9.200 -12.381 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.758 9.250 -12.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.047 11.794 -12.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.770 11.713 -12.402 1.00 0.00 H new ATOM 0 HH2 TRP A 130 6.888 12.966 -12.417 1.00 0.00 H new ATOM 1019 N ASP A 131 6.345 4.439 -10.287 1.00 0.00 N ATOM 1020 CA ASP A 131 6.307 3.061 -9.811 1.00 0.00 C ATOM 1021 C ASP A 131 5.049 2.806 -8.987 1.00 0.00 C ATOM 1022 O ASP A 131 4.394 1.775 -9.139 1.00 0.00 O ATOM 1023 CB ASP A 131 7.550 2.753 -8.976 1.00 0.00 C ATOM 1024 CG ASP A 131 8.764 2.451 -9.833 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.839 2.981 -10.962 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.638 1.687 -9.374 1.00 0.00 O ATOM 0 H ASP A 131 7.278 4.851 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 131 6.291 2.403 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.768 3.602 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.346 1.901 -8.327 1.00 0.00 H new ATOM 1031 N ALA A 132 4.717 3.752 -8.115 1.00 0.00 N ATOM 1032 CA ALA A 132 3.537 3.630 -7.267 1.00 0.00 C ATOM 1033 C ALA A 132 2.259 3.845 -8.071 1.00 0.00 C ATOM 1034 O ALA A 132 1.413 2.955 -8.157 1.00 0.00 O ATOM 1035 CB ALA A 132 3.610 4.621 -6.115 1.00 0.00 C ATOM 0 H ALA A 132 5.248 4.612 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 132 3.515 2.619 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.723 4.519 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.499 4.420 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.660 5.636 -6.510 1.00 0.00 H new ATOM 1041 N GLU A 133 2.126 5.030 -8.658 1.00 0.00 N ATOM 1042 CA GLU A 133 0.950 5.360 -9.454 1.00 0.00 C ATOM 1043 C GLU A 133 0.558 4.193 -10.355 1.00 0.00 C ATOM 1044 O GLU A 133 -0.574 3.713 -10.309 1.00 0.00 O ATOM 1045 CB GLU A 133 1.213 6.607 -10.301 1.00 0.00 C ATOM 1046 CG GLU A 133 1.216 7.898 -9.500 1.00 0.00 C ATOM 1047 CD GLU A 133 0.762 9.092 -10.316 1.00 0.00 C ATOM 1048 OE1 GLU A 133 -0.317 9.008 -10.939 1.00 0.00 O ATOM 1049 OE2 GLU A 133 1.484 10.111 -10.331 1.00 0.00 O ATOM 0 H GLU A 133 2.818 5.777 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 133 0.125 5.562 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.174 6.499 -10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.453 6.674 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.564 7.785 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.221 8.083 -9.120 1.00 0.00 H new ATOM 1056 N ASN A 134 1.502 3.742 -11.174 1.00 0.00 N ATOM 1057 CA ASN A 134 1.256 2.632 -12.087 1.00 0.00 C ATOM 1058 C ASN A 134 0.486 1.515 -11.390 1.00 0.00 C ATOM 1059 O ASN A 134 -0.465 0.963 -11.944 1.00 0.00 O ATOM 1060 CB ASN A 134 2.578 2.091 -12.634 1.00 0.00 C ATOM 1061 CG ASN A 134 2.394 1.300 -13.915 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.296 0.833 -14.217 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.472 1.147 -14.676 1.00 0.00 N ATOM 0 H ASN A 134 2.445 4.128 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 134 0.653 3.003 -12.916 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.259 2.922 -12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.046 1.456 -11.882 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.409 0.625 -15.550 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.362 1.552 -14.386 1.00 0.00 H new ATOM 1070 N ALA A 135 0.903 1.187 -10.172 1.00 0.00 N ATOM 1071 CA ALA A 135 0.251 0.138 -9.397 1.00 0.00 C ATOM 1072 C ALA A 135 -1.095 0.610 -8.858 1.00 0.00 C ATOM 1073 O ALA A 135 -2.127 -0.015 -9.105 1.00 0.00 O ATOM 1074 CB ALA A 135 1.151 -0.312 -8.256 1.00 0.00 C ATOM 0 H ALA A 135 1.690 1.633 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 135 0.071 -0.710 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.652 -1.095 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.086 -0.698 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.361 0.535 -7.602 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.077 1.714 -8.119 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.296 2.269 -7.545 1.00 0.00 C ATOM 1082 C ILE A 136 -3.460 2.172 -8.527 1.00 0.00 C ATOM 1083 O ILE A 136 -4.597 1.916 -8.133 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.107 3.741 -7.136 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -0.985 3.865 -6.103 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.406 4.309 -6.585 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.664 5.295 -5.729 1.00 0.00 C ATOM 0 H ILE A 136 -0.231 2.242 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.522 1.680 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.828 4.315 -8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.268 3.317 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.086 3.390 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.256 5.350 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.182 4.250 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.712 3.734 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 136 0.140 5.307 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.350 5.842 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.550 5.768 -5.306 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.165 2.375 -9.807 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.187 2.310 -10.845 1.00 0.00 C ATOM 1101 C GLN A 137 -4.435 0.867 -11.273 1.00 0.00 C ATOM 1102 O GLN A 137 -5.565 0.382 -11.225 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.770 3.148 -12.054 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.191 4.504 -11.684 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.255 5.049 -12.745 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -2.401 6.187 -13.193 1.00 0.00 O ATOM 1107 NE2 GLN A 137 -1.286 4.238 -13.153 1.00 0.00 N ATOM 0 H GLN A 137 -2.228 2.586 -10.150 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.113 2.713 -10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.032 2.593 -12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.636 3.296 -12.699 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.005 5.211 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.653 4.420 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -1.202 3.303 -12.755 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -0.626 4.550 -13.865 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.373 0.188 -11.693 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.477 -1.199 -12.131 1.00 0.00 C ATOM 1118 C GLN A 138 -3.854 -2.110 -10.967 1.00 0.00 C ATOM 1119 O GLN A 138 -4.917 -2.730 -10.971 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.157 -1.661 -12.749 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.628 -0.726 -13.825 1.00 0.00 C ATOM 1122 CD GLN A 138 -2.137 -1.080 -15.208 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -1.409 -1.647 -16.024 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -3.394 -0.748 -15.480 1.00 0.00 N ATOM 0 H GLN A 138 -2.431 0.575 -11.739 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.263 -1.258 -12.884 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.410 -1.754 -11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.294 -2.654 -13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -1.918 0.297 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.538 -0.757 -13.824 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -3.962 -0.279 -14.774 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -3.791 -0.962 -16.395 1.00 0.00 H new ATOM 1133 N MET A 139 -2.975 -2.186 -9.973 1.00 0.00 N ATOM 1134 CA MET A 139 -3.216 -3.022 -8.803 1.00 0.00 C ATOM 1135 C MET A 139 -4.591 -2.737 -8.206 1.00 0.00 C ATOM 1136 O MET A 139 -5.267 -3.643 -7.720 1.00 0.00 O ATOM 1137 CB MET A 139 -2.132 -2.787 -7.749 1.00 0.00 C ATOM 1138 CG MET A 139 -0.763 -3.306 -8.160 1.00 0.00 C ATOM 1139 SD MET A 139 -0.788 -5.053 -8.603 1.00 0.00 S ATOM 1140 CE MET A 139 -1.498 -5.768 -7.123 1.00 0.00 C ATOM 0 H MET A 139 -2.090 -1.679 -9.954 1.00 0.00 H new ATOM 0 HA MET A 139 -3.185 -4.064 -9.120 1.00 0.00 H new ATOM 0 HB2 MET A 139 -2.060 -1.719 -7.545 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.430 -3.270 -6.819 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.398 -2.725 -9.007 1.00 0.00 H new ATOM 0 HG3 MET A 139 -0.060 -3.153 -7.342 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.186 -6.809 -7.036 1.00 0.00 H new ATOM 0 HE2 MET A 139 -1.155 -5.213 -6.250 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.585 -5.718 -7.180 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.999 -1.472 -8.246 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.291 -1.092 -7.706 1.00 0.00 C ATOM 1152 C GLY A 140 -7.432 -1.872 -8.327 1.00 0.00 C ATOM 1153 O GLY A 140 -7.785 -1.653 -9.485 1.00 0.00 O ATOM 0 H GLY A 140 -4.458 -0.704 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.291 -1.251 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.451 -0.027 -7.871 1.00 0.00 H new ATOM 1157 N GLY A 141 -8.010 -2.788 -7.556 1.00 0.00 N ATOM 1158 CA GLY A 141 -9.111 -3.591 -8.056 1.00 0.00 C ATOM 1159 C GLY A 141 -8.687 -5.004 -8.401 1.00 0.00 C ATOM 1160 O GLY A 141 -9.525 -5.896 -8.532 1.00 0.00 O ATOM 0 H GLY A 141 -7.736 -2.988 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.902 -3.625 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.531 -3.115 -8.942 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.382 -5.209 -8.551 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.850 -6.525 -8.886 1.00 0.00 C ATOM 1166 C GLN A 142 -7.050 -7.503 -7.734 1.00 0.00 C ATOM 1167 O GLN A 142 -7.632 -7.155 -6.706 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.363 -6.423 -9.232 1.00 0.00 C ATOM 1169 CG GLN A 142 -5.098 -6.148 -10.704 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.891 -7.059 -11.620 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -5.524 -8.215 -11.834 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -6.986 -6.543 -12.166 1.00 0.00 N ATOM 0 H GLN A 142 -6.675 -4.482 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.394 -6.899 -9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.913 -5.629 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.868 -7.352 -8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.346 -5.110 -10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -4.034 -6.272 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -7.253 -5.580 -11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -7.560 -7.110 -12.790 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.564 -8.726 -7.912 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.691 -9.755 -6.886 1.00 0.00 C ATOM 1183 C TRP A 143 -5.321 -10.169 -6.358 1.00 0.00 C ATOM 1184 O TRP A 143 -4.375 -10.344 -7.127 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.425 -10.975 -7.445 1.00 0.00 C ATOM 1186 CG TRP A 143 -8.900 -10.760 -7.603 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.512 -9.734 -8.265 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -9.947 -11.588 -7.086 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -10.877 -9.876 -8.192 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.169 -11.006 -7.475 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -9.971 -12.767 -6.335 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.400 -11.562 -7.135 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.193 -13.317 -5.999 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.393 -12.716 -6.400 1.00 0.00 C ATOM 0 H TRP A 143 -6.079 -9.029 -8.756 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.268 -9.340 -6.060 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -6.997 -11.235 -8.413 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.258 -11.825 -6.784 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -8.999 -8.930 -8.771 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.562 -9.243 -8.605 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.051 -13.239 -6.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.327 -11.099 -7.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.224 -14.226 -5.417 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.332 -13.173 -6.123 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.221 -10.323 -5.042 1.00 0.00 N ATOM 1206 CA LEU A 144 -3.966 -10.717 -4.411 1.00 0.00 C ATOM 1207 C LEU A 144 -4.181 -11.882 -3.451 1.00 0.00 C ATOM 1208 O LEU A 144 -4.963 -11.785 -2.506 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.355 -9.531 -3.663 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.033 -9.801 -2.943 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -0.930 -10.100 -3.946 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.652 -8.617 -2.065 1.00 0.00 C ATOM 0 H LEU A 144 -5.994 -10.181 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.279 -11.038 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.199 -8.720 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.080 -9.177 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.161 -10.675 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.003 -10.289 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.199 -10.979 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.802 -9.246 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.709 -8.827 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.542 -7.726 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.432 -8.449 -1.322 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.480 -12.984 -3.700 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.607 -14.152 -2.848 1.00 0.00 C ATOM 1226 C GLY A 145 -4.898 -14.909 -3.091 1.00 0.00 C ATOM 1227 O GLY A 145 -4.986 -16.105 -2.813 1.00 0.00 O ATOM 0 H GLY A 145 -2.827 -13.089 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.761 -14.817 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.562 -13.843 -1.804 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.904 -14.211 -3.609 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.183 -14.841 -3.878 1.00 0.00 C ATOM 1233 C GLY A 146 -8.352 -13.905 -3.639 1.00 0.00 C ATOM 1234 O GLY A 146 -9.497 -14.242 -3.938 1.00 0.00 O ATOM 0 H GLY A 146 -5.856 -13.220 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.204 -15.187 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.291 -15.722 -3.245 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.063 -12.727 -3.096 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.099 -11.741 -2.813 1.00 0.00 C ATOM 1240 C ARG A 147 -8.709 -10.371 -3.361 1.00 0.00 C ATOM 1241 O ARG A 147 -7.537 -9.996 -3.345 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.347 -11.647 -1.307 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.421 -12.600 -0.806 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.567 -12.530 0.706 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.640 -13.393 1.193 1.00 0.00 N ATOM 1246 CZ ARG A 147 -11.498 -14.698 1.397 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -10.334 -15.287 1.158 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -12.521 -15.416 1.841 1.00 0.00 N ATOM 0 H ARG A 147 -7.120 -12.432 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.016 -12.064 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.415 -11.854 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.634 -10.626 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.374 -12.356 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.171 -13.619 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.627 -12.821 1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -10.766 -11.501 1.004 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.548 -12.971 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -9.545 -14.738 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -10.228 -16.289 1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.418 -14.966 2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -12.411 -16.418 1.997 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.701 -9.630 -3.846 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.461 -8.302 -4.400 1.00 0.00 C ATOM 1264 C GLN A 148 -8.663 -7.442 -3.426 1.00 0.00 C ATOM 1265 O GLN A 148 -8.560 -7.762 -2.241 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.788 -7.619 -4.735 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.295 -7.927 -6.134 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.304 -6.908 -6.627 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.026 -6.300 -5.836 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.358 -6.716 -7.940 1.00 0.00 N ATOM 0 H GLN A 148 -10.677 -9.926 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.879 -8.417 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.540 -7.929 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.669 -6.541 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.451 -7.960 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.751 -8.917 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.740 -7.242 -8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -13.017 -6.042 -8.330 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.102 -6.349 -3.932 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.314 -5.443 -3.106 1.00 0.00 C ATOM 1281 C ILE A 149 -7.636 -3.987 -3.427 1.00 0.00 C ATOM 1282 O ILE A 149 -8.082 -3.668 -4.529 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.804 -5.677 -3.295 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.397 -5.386 -4.741 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.437 -7.103 -2.912 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.912 -5.160 -4.917 1.00 0.00 C ATOM 0 H ILE A 149 -8.179 -6.069 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.578 -5.651 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.261 -4.995 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.707 -6.219 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.934 -4.505 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.366 -7.253 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.695 -7.277 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -5.986 -7.802 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.696 -4.959 -5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.600 -4.308 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.368 -6.049 -4.598 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.404 -3.108 -2.458 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.668 -1.685 -2.637 1.00 0.00 C ATOM 1300 C ARG A 150 -6.383 -0.873 -2.506 1.00 0.00 C ATOM 1301 O ARG A 150 -5.741 -0.870 -1.455 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.696 -1.202 -1.613 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.077 -0.698 -0.320 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.136 -0.433 0.739 1.00 0.00 C ATOM 1305 NE ARG A 150 -9.942 0.743 0.425 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.072 1.049 1.053 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.526 0.269 2.025 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -11.750 2.136 0.710 1.00 0.00 N ATOM 0 H ARG A 150 -7.034 -3.356 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.069 -1.539 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.291 -0.403 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.380 -2.019 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.363 -1.432 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.519 0.218 -0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -9.785 -1.304 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -8.654 -0.294 1.707 1.00 0.00 H new ATOM 0 HE ARG A 150 -9.620 1.364 -0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -11.007 -0.568 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.394 0.506 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -11.404 2.738 -0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -12.617 2.370 1.193 1.00 0.00 H new ATOM 1322 N THR A 151 -6.012 -0.185 -3.581 1.00 0.00 N ATOM 1323 CA THR A 151 -4.803 0.630 -3.587 1.00 0.00 C ATOM 1324 C THR A 151 -5.133 2.101 -3.810 1.00 0.00 C ATOM 1325 O THR A 151 -5.896 2.446 -4.711 1.00 0.00 O ATOM 1326 CB THR A 151 -3.818 0.166 -4.677 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.352 0.454 -5.974 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.541 -1.325 -4.556 1.00 0.00 C ATOM 0 H THR A 151 -6.531 -0.176 -4.459 1.00 0.00 H new ATOM 0 HA THR A 151 -4.336 0.509 -2.610 1.00 0.00 H new ATOM 0 HB THR A 151 -2.880 0.706 -4.543 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.802 0.019 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.843 -1.630 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.108 -1.536 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.473 -1.878 -4.667 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.552 2.965 -2.983 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.785 4.401 -3.091 1.00 0.00 C ATOM 1338 C ASN A 152 -3.657 5.186 -2.429 1.00 0.00 C ATOM 1339 O ASN A 152 -2.777 4.608 -1.791 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.124 4.771 -2.449 1.00 0.00 C ATOM 1341 CG ASN A 152 -7.275 4.707 -3.435 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -8.133 3.829 -3.348 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -7.297 5.641 -4.379 1.00 0.00 N ATOM 0 H ASN A 152 -3.917 2.696 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 152 -4.813 4.661 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.324 4.096 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.060 5.777 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -8.047 5.650 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -6.564 6.350 -4.412 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.691 6.504 -2.584 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.671 7.369 -2.001 1.00 0.00 C ATOM 1352 C TRP A 153 -2.723 7.320 -0.478 1.00 0.00 C ATOM 1353 O TRP A 153 -3.726 7.691 0.130 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.857 8.808 -2.484 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.324 9.045 -3.865 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -3.023 9.502 -4.946 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -0.981 8.833 -4.313 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.194 9.588 -6.039 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.937 9.184 -5.677 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.189 8.384 -3.695 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.231 9.097 -6.430 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.347 8.298 -4.444 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.362 8.654 -5.799 1.00 0.00 C ATOM 0 H TRP A 153 -4.413 6.998 -3.108 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.695 7.008 -2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.918 9.056 -2.464 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.359 9.484 -1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -4.072 9.758 -4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.471 9.902 -6.969 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.188 8.109 -2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.244 9.369 -7.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.256 7.950 -3.977 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.284 8.577 -6.356 1.00 0.00 H new