USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 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= 0.0834 (180deg=0) USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= -0.874 USER MOD Set 2.1: A 79 HIS : no HD1:sc= -1.4! C(o=-1.2!,f=-3.3!) USER MOD Set 2.2: A 125 SER OG : rot 95:sc= 0.226 USER MOD Single : A 86 SER OG : rot 150:sc= -1.03 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000207) USER MOD Single : A 105 SER OG : rot 180:sc= -0.104 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 157:sc= -0.066 (180deg=-0.455) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 129 LYS NZ :NH3+ -108:sc= 0.454 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -0.0744 K(o=-0.074,f=-1.3!) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.625 F(o=-2.1,f=-0.63) USER MOD Single : A 138 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 139 MET CE :methyl -159:sc= -5.17! (180deg=-6.82!) USER MOD Single : A 142 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.91) USER MOD Single : A 148 GLN : amide:sc= 0.57 K(o=0.57,f=-0.013) USER MOD Single : A 151 THR OG1 : rot 81:sc= -0.939 USER MOD Single : A 152 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.434 7.719 -1.861 1.00 0.00 N ATOM 196 CA PHE A 78 5.981 7.773 -1.974 1.00 0.00 C ATOM 197 C PHE A 78 5.347 6.484 -1.458 1.00 0.00 C ATOM 198 O PHE A 78 5.518 5.416 -2.047 1.00 0.00 O ATOM 199 CB PHE A 78 5.571 8.009 -3.429 1.00 0.00 C ATOM 200 CG PHE A 78 6.139 9.270 -4.015 1.00 0.00 C ATOM 201 CD1 PHE A 78 7.408 9.281 -4.571 1.00 0.00 C ATOM 202 CD2 PHE A 78 5.404 10.445 -4.008 1.00 0.00 C ATOM 203 CE1 PHE A 78 7.933 10.440 -5.111 1.00 0.00 C ATOM 204 CE2 PHE A 78 5.924 11.607 -4.547 1.00 0.00 C ATOM 205 CZ PHE A 78 7.191 11.604 -5.098 1.00 0.00 C ATOM 0 HA PHE A 78 5.624 8.602 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.894 7.160 -4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.483 8.047 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.994 8.374 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.414 10.453 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.923 10.435 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.341 12.516 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.600 12.511 -5.518 1.00 0.00 H new ATOM 215 N HIS A 79 4.616 6.593 -0.354 1.00 0.00 N ATOM 216 CA HIS A 79 3.956 5.437 0.243 1.00 0.00 C ATOM 217 C HIS A 79 2.614 5.170 -0.432 1.00 0.00 C ATOM 218 O HIS A 79 2.015 6.068 -1.025 1.00 0.00 O ATOM 219 CB HIS A 79 3.751 5.658 1.742 1.00 0.00 C ATOM 220 CG HIS A 79 4.937 6.264 2.425 1.00 0.00 C ATOM 221 ND1 HIS A 79 6.120 6.544 1.774 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.118 6.647 3.711 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.977 7.071 2.629 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.394 7.145 3.812 1.00 0.00 N ATOM 0 H HIS A 79 4.465 7.469 0.146 1.00 0.00 H new ATOM 0 HA HIS A 79 4.597 4.567 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.887 6.305 1.891 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.519 4.703 2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.394 6.574 4.509 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.984 7.388 2.400 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.822 7.512 4.662 1.00 0.00 H new ATOM 232 N VAL A 80 2.147 3.929 -0.339 1.00 0.00 N ATOM 233 CA VAL A 80 0.875 3.543 -0.940 1.00 0.00 C ATOM 234 C VAL A 80 0.000 2.794 0.059 1.00 0.00 C ATOM 235 O VAL A 80 0.503 2.096 0.940 1.00 0.00 O ATOM 236 CB VAL A 80 1.088 2.659 -2.184 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.234 2.071 -2.653 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.750 3.457 -3.297 1.00 0.00 C ATOM 0 H VAL A 80 2.630 3.173 0.147 1.00 0.00 H new ATOM 0 HA VAL A 80 0.373 4.463 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 80 1.750 1.836 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.064 1.450 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.665 1.464 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.922 2.878 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.893 2.817 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.115 4.301 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.717 3.825 -2.955 1.00 0.00 H new ATOM 248 N PHE A 81 -1.312 2.943 -0.085 1.00 0.00 N ATOM 249 CA PHE A 81 -2.259 2.281 0.805 1.00 0.00 C ATOM 250 C PHE A 81 -2.817 1.015 0.161 1.00 0.00 C ATOM 251 O PHE A 81 -3.177 1.011 -1.017 1.00 0.00 O ATOM 252 CB PHE A 81 -3.403 3.231 1.165 1.00 0.00 C ATOM 253 CG PHE A 81 -4.637 2.526 1.651 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.695 2.007 2.934 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.740 2.381 0.823 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.829 1.358 3.385 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.876 1.733 1.269 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.921 1.220 2.550 1.00 0.00 C ATOM 0 H PHE A 81 -1.744 3.516 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.729 2.001 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.062 3.922 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.657 3.829 0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.843 2.111 3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.711 2.779 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.861 0.960 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.729 1.628 0.615 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.808 0.712 2.899 1.00 0.00 H new ATOM 268 N VAL A 82 -2.886 -0.058 0.942 1.00 0.00 N ATOM 269 CA VAL A 82 -3.400 -1.330 0.449 1.00 0.00 C ATOM 270 C VAL A 82 -4.402 -1.934 1.427 1.00 0.00 C ATOM 271 O VAL A 82 -4.132 -2.038 2.623 1.00 0.00 O ATOM 272 CB VAL A 82 -2.263 -2.340 0.208 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.808 -3.624 -0.398 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.192 -1.732 -0.685 1.00 0.00 C ATOM 0 H VAL A 82 -2.592 -0.072 1.919 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.899 -1.124 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.808 -2.585 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.990 -4.325 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.536 -4.067 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.290 -3.401 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.396 -2.459 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.631 -1.457 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.781 -0.843 -0.206 1.00 0.00 H new ATOM 284 N GLY A 83 -5.561 -2.331 0.909 1.00 0.00 N ATOM 285 CA GLY A 83 -6.586 -2.920 1.751 1.00 0.00 C ATOM 286 C GLY A 83 -7.227 -4.139 1.117 1.00 0.00 C ATOM 287 O GLY A 83 -6.958 -4.458 -0.041 1.00 0.00 O ATOM 0 H GLY A 83 -5.808 -2.255 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.148 -3.200 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.355 -2.175 1.958 1.00 0.00 H new ATOM 291 N ASP A 84 -8.076 -4.821 1.877 1.00 0.00 N ATOM 292 CA ASP A 84 -8.757 -6.012 1.382 1.00 0.00 C ATOM 293 C ASP A 84 -7.758 -7.125 1.081 1.00 0.00 C ATOM 294 O ASP A 84 -7.753 -7.690 -0.013 1.00 0.00 O ATOM 295 CB ASP A 84 -9.563 -5.680 0.126 1.00 0.00 C ATOM 296 CG ASP A 84 -10.752 -6.603 -0.061 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.461 -6.866 0.933 1.00 0.00 O ATOM 298 OD2 ASP A 84 -10.973 -7.062 -1.201 1.00 0.00 O ATOM 0 H ASP A 84 -8.309 -4.570 2.838 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.437 -6.360 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.913 -4.649 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.914 -5.747 -0.747 1.00 0.00 H new ATOM 303 N LEU A 85 -6.912 -7.433 2.058 1.00 0.00 N ATOM 304 CA LEU A 85 -5.906 -8.477 1.898 1.00 0.00 C ATOM 305 C LEU A 85 -6.263 -9.708 2.724 1.00 0.00 C ATOM 306 O LEU A 85 -6.587 -9.602 3.907 1.00 0.00 O ATOM 307 CB LEU A 85 -4.529 -7.954 2.310 1.00 0.00 C ATOM 308 CG LEU A 85 -4.109 -6.616 1.700 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.934 -6.026 2.465 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.758 -6.788 0.229 1.00 0.00 C ATOM 0 H LEU A 85 -6.903 -6.975 2.969 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.879 -8.763 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.509 -7.858 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.783 -8.703 2.042 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.948 -5.925 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.649 -5.074 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.220 -5.866 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.090 -6.714 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.461 -5.826 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.934 -7.495 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.626 -7.166 -0.311 1.00 0.00 H new ATOM 322 N SER A 86 -6.199 -10.877 2.094 1.00 0.00 N ATOM 323 CA SER A 86 -6.518 -12.129 2.770 1.00 0.00 C ATOM 324 C SER A 86 -5.707 -12.274 4.054 1.00 0.00 C ATOM 325 O SER A 86 -4.619 -11.715 4.198 1.00 0.00 O ATOM 326 CB SER A 86 -6.246 -13.316 1.845 1.00 0.00 C ATOM 327 OG SER A 86 -5.854 -14.460 2.584 1.00 0.00 O ATOM 0 H SER A 86 -5.929 -10.983 1.116 1.00 0.00 H new ATOM 0 HA SER A 86 -7.577 -12.115 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.141 -13.543 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.464 -13.054 1.133 1.00 0.00 H new ATOM 0 HG SER A 86 -6.140 -15.269 2.111 1.00 0.00 H new ATOM 333 N PRO A 87 -6.247 -13.043 5.011 1.00 0.00 N ATOM 334 CA PRO A 87 -5.591 -13.281 6.300 1.00 0.00 C ATOM 335 C PRO A 87 -4.347 -14.153 6.165 1.00 0.00 C ATOM 336 O PRO A 87 -3.595 -14.328 7.123 1.00 0.00 O ATOM 337 CB PRO A 87 -6.666 -14.005 7.116 1.00 0.00 C ATOM 338 CG PRO A 87 -7.539 -14.656 6.100 1.00 0.00 C ATOM 339 CD PRO A 87 -7.540 -13.741 4.907 1.00 0.00 C ATOM 0 HA PRO A 87 -5.241 -12.355 6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.224 -14.741 7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.231 -13.307 7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.160 -15.643 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.549 -14.796 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.622 -14.298 3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.377 -13.043 4.936 1.00 0.00 H new ATOM 347 N GLU A 88 -4.137 -14.696 4.970 1.00 0.00 N ATOM 348 CA GLU A 88 -2.983 -15.549 4.712 1.00 0.00 C ATOM 349 C GLU A 88 -1.880 -14.772 4.000 1.00 0.00 C ATOM 350 O GLU A 88 -0.796 -15.300 3.751 1.00 0.00 O ATOM 351 CB GLU A 88 -3.394 -16.759 3.871 1.00 0.00 C ATOM 352 CG GLU A 88 -3.397 -16.488 2.376 1.00 0.00 C ATOM 353 CD GLU A 88 -4.123 -17.563 1.589 1.00 0.00 C ATOM 354 OE1 GLU A 88 -5.180 -18.031 2.062 1.00 0.00 O ATOM 355 OE2 GLU A 88 -3.635 -17.935 0.502 1.00 0.00 O ATOM 0 H GLU A 88 -4.750 -14.561 4.166 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.598 -15.896 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.714 -17.585 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.390 -17.081 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.868 -15.524 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.369 -16.416 2.022 1.00 0.00 H new ATOM 362 N ILE A 89 -2.165 -13.515 3.676 1.00 0.00 N ATOM 363 CA ILE A 89 -1.197 -12.665 2.993 1.00 0.00 C ATOM 364 C ILE A 89 -0.160 -12.120 3.969 1.00 0.00 C ATOM 365 O ILE A 89 -0.494 -11.696 5.076 1.00 0.00 O ATOM 366 CB ILE A 89 -1.887 -11.486 2.283 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.837 -12.000 1.199 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.849 -10.549 1.683 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.137 -12.758 0.092 1.00 0.00 C ATOM 0 H ILE A 89 -3.057 -13.063 3.875 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.700 -13.287 2.248 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.470 -10.930 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.582 -12.650 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.374 -11.155 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.352 -9.720 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.208 -10.161 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.242 -11.094 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.871 -13.093 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.411 -12.105 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.623 -13.623 0.512 1.00 0.00 H new ATOM 381 N THR A 90 1.102 -12.132 3.551 1.00 0.00 N ATOM 382 CA THR A 90 2.189 -11.639 4.387 1.00 0.00 C ATOM 383 C THR A 90 2.903 -10.466 3.725 1.00 0.00 C ATOM 384 O THR A 90 2.693 -10.183 2.545 1.00 0.00 O ATOM 385 CB THR A 90 3.216 -12.748 4.686 1.00 0.00 C ATOM 386 OG1 THR A 90 4.266 -12.233 5.512 1.00 0.00 O ATOM 387 CG2 THR A 90 3.804 -13.303 3.397 1.00 0.00 C ATOM 0 H THR A 90 1.396 -12.478 2.638 1.00 0.00 H new ATOM 0 HA THR A 90 1.741 -11.307 5.324 1.00 0.00 H new ATOM 0 HB THR A 90 2.704 -13.555 5.210 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.914 -12.944 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.526 -14.084 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.006 -13.720 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.302 -12.502 2.850 1.00 0.00 H new ATOM 395 N THR A 91 3.750 -9.785 4.491 1.00 0.00 N ATOM 396 CA THR A 91 4.494 -8.642 3.979 1.00 0.00 C ATOM 397 C THR A 91 5.136 -8.962 2.634 1.00 0.00 C ATOM 398 O THR A 91 5.129 -8.137 1.721 1.00 0.00 O ATOM 399 CB THR A 91 5.591 -8.198 4.965 1.00 0.00 C ATOM 400 OG1 THR A 91 4.995 -7.669 6.155 1.00 0.00 O ATOM 401 CG2 THR A 91 6.494 -7.149 4.335 1.00 0.00 C ATOM 0 H THR A 91 3.937 -10.006 5.469 1.00 0.00 H new ATOM 0 HA THR A 91 3.778 -7.830 3.853 1.00 0.00 H new ATOM 0 HB THR A 91 6.195 -9.069 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.699 -7.391 6.777 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.260 -6.851 5.051 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.969 -7.564 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.901 -6.278 4.056 1.00 0.00 H new ATOM 409 N GLU A 92 5.690 -10.165 2.519 1.00 0.00 N ATOM 410 CA GLU A 92 6.336 -10.593 1.283 1.00 0.00 C ATOM 411 C GLU A 92 5.342 -10.607 0.126 1.00 0.00 C ATOM 412 O GLU A 92 5.583 -10.004 -0.921 1.00 0.00 O ATOM 413 CB GLU A 92 6.950 -11.984 1.458 1.00 0.00 C ATOM 414 CG GLU A 92 7.876 -12.094 2.658 1.00 0.00 C ATOM 415 CD GLU A 92 8.589 -13.430 2.725 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.910 -13.984 1.653 1.00 0.00 O ATOM 417 OE2 GLU A 92 8.825 -13.922 3.848 1.00 0.00 O ATOM 0 H GLU A 92 5.705 -10.860 3.266 1.00 0.00 H new ATOM 0 HA GLU A 92 7.127 -9.880 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.148 -12.716 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.505 -12.243 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.615 -11.294 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.299 -11.948 3.571 1.00 0.00 H new ATOM 424 N ASP A 93 4.224 -11.298 0.321 1.00 0.00 N ATOM 425 CA ASP A 93 3.193 -11.391 -0.706 1.00 0.00 C ATOM 426 C ASP A 93 2.959 -10.035 -1.364 1.00 0.00 C ATOM 427 O ASP A 93 3.064 -9.899 -2.583 1.00 0.00 O ATOM 428 CB ASP A 93 1.887 -11.911 -0.102 1.00 0.00 C ATOM 429 CG ASP A 93 1.777 -13.421 -0.174 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.351 -13.935 -1.229 1.00 0.00 O ATOM 431 OD2 ASP A 93 2.116 -14.089 0.826 1.00 0.00 O ATOM 0 H ASP A 93 4.009 -11.802 1.181 1.00 0.00 H new ATOM 0 HA ASP A 93 3.535 -12.091 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.820 -11.594 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.043 -11.463 -0.627 1.00 0.00 H new ATOM 436 N ILE A 94 2.640 -9.034 -0.549 1.00 0.00 N ATOM 437 CA ILE A 94 2.391 -7.689 -1.053 1.00 0.00 C ATOM 438 C ILE A 94 3.516 -7.230 -1.975 1.00 0.00 C ATOM 439 O ILE A 94 3.283 -6.889 -3.135 1.00 0.00 O ATOM 440 CB ILE A 94 2.240 -6.676 0.097 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.073 -7.072 1.004 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.036 -5.274 -0.456 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.716 -6.014 2.025 1.00 0.00 C ATOM 0 H ILE A 94 2.548 -9.129 0.462 1.00 0.00 H new ATOM 0 HA ILE A 94 1.458 -7.731 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 94 3.155 -6.682 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.199 -7.280 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.324 -7.997 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.931 -4.569 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.896 -4.994 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.135 -5.252 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.119 -6.362 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.576 -5.822 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.433 -5.095 1.512 1.00 0.00 H new ATOM 455 N LYS A 95 4.737 -7.227 -1.452 1.00 0.00 N ATOM 456 CA LYS A 95 5.901 -6.814 -2.228 1.00 0.00 C ATOM 457 C LYS A 95 5.901 -7.475 -3.603 1.00 0.00 C ATOM 458 O LYS A 95 6.238 -6.845 -4.605 1.00 0.00 O ATOM 459 CB LYS A 95 7.189 -7.166 -1.481 1.00 0.00 C ATOM 460 CG LYS A 95 7.683 -6.059 -0.565 1.00 0.00 C ATOM 461 CD LYS A 95 8.832 -6.531 0.310 1.00 0.00 C ATOM 462 CE LYS A 95 8.331 -7.109 1.624 1.00 0.00 C ATOM 463 NZ LYS A 95 9.433 -7.721 2.417 1.00 0.00 N ATOM 0 H LYS A 95 4.947 -7.506 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 95 5.851 -5.734 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.022 -8.067 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.968 -7.400 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.006 -5.207 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.863 -5.713 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.411 -7.285 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.504 -5.697 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.856 -6.322 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.568 -7.861 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.045 -8.134 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.892 -8.467 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.132 -6.991 2.660 1.00 0.00 H new ATOM 477 N ALA A 96 5.520 -8.747 -3.642 1.00 0.00 N ATOM 478 CA ALA A 96 5.473 -9.492 -4.895 1.00 0.00 C ATOM 479 C ALA A 96 4.464 -8.880 -5.860 1.00 0.00 C ATOM 480 O ALA A 96 4.652 -8.919 -7.076 1.00 0.00 O ATOM 481 CB ALA A 96 5.134 -10.951 -4.629 1.00 0.00 C ATOM 0 H ALA A 96 5.239 -9.284 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 96 6.458 -9.438 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.102 -11.495 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.895 -11.389 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.162 -11.015 -4.140 1.00 0.00 H new ATOM 487 N ALA A 97 3.394 -8.316 -5.310 1.00 0.00 N ATOM 488 CA ALA A 97 2.356 -7.694 -6.123 1.00 0.00 C ATOM 489 C ALA A 97 2.869 -6.422 -6.790 1.00 0.00 C ATOM 490 O ALA A 97 2.779 -6.268 -8.008 1.00 0.00 O ATOM 491 CB ALA A 97 1.131 -7.390 -5.273 1.00 0.00 C ATOM 0 H ALA A 97 3.223 -8.277 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 97 2.075 -8.396 -6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.364 -6.926 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.743 -8.316 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.407 -6.710 -4.467 1.00 0.00 H new ATOM 497 N PHE A 98 3.406 -5.512 -5.984 1.00 0.00 N ATOM 498 CA PHE A 98 3.931 -4.252 -6.496 1.00 0.00 C ATOM 499 C PHE A 98 5.404 -4.390 -6.872 1.00 0.00 C ATOM 500 O PHE A 98 6.082 -3.399 -7.143 1.00 0.00 O ATOM 501 CB PHE A 98 3.761 -3.143 -5.456 1.00 0.00 C ATOM 502 CG PHE A 98 2.362 -3.035 -4.920 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.892 -3.942 -3.984 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.517 -2.025 -5.351 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.605 -3.845 -3.488 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.230 -1.922 -4.859 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.227 -2.834 -3.927 1.00 0.00 C ATOM 0 H PHE A 98 3.489 -5.624 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 98 3.368 -3.990 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.446 -3.324 -4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.045 -2.190 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.539 -4.734 -3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.868 -1.310 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.251 -4.559 -2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.418 -1.129 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.233 -2.756 -3.542 1.00 0.00 H new ATOM 517 N ALA A 99 5.892 -5.626 -6.886 1.00 0.00 N ATOM 518 CA ALA A 99 7.282 -5.895 -7.230 1.00 0.00 C ATOM 519 C ALA A 99 7.574 -5.513 -8.677 1.00 0.00 C ATOM 520 O ALA A 99 8.426 -4.672 -8.962 1.00 0.00 O ATOM 521 CB ALA A 99 7.611 -7.362 -6.993 1.00 0.00 C ATOM 0 H ALA A 99 5.344 -6.457 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 99 7.914 -5.284 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.653 -7.548 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.451 -7.606 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.965 -7.984 -7.612 1.00 0.00 H new ATOM 527 N PRO A 100 6.851 -6.145 -9.614 1.00 0.00 N ATOM 528 CA PRO A 100 7.015 -5.887 -11.047 1.00 0.00 C ATOM 529 C PRO A 100 6.509 -4.506 -11.449 1.00 0.00 C ATOM 530 O PRO A 100 6.586 -4.121 -12.616 1.00 0.00 O ATOM 531 CB PRO A 100 6.166 -6.979 -11.703 1.00 0.00 C ATOM 532 CG PRO A 100 5.144 -7.331 -10.678 1.00 0.00 C ATOM 533 CD PRO A 100 5.818 -7.159 -9.345 1.00 0.00 C ATOM 0 HA PRO A 100 8.063 -5.904 -11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.699 -6.620 -12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.772 -7.844 -11.971 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.270 -6.684 -10.760 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.796 -8.355 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.117 -6.825 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.254 -8.093 -8.992 1.00 0.00 H new ATOM 541 N PHE A 101 5.993 -3.763 -10.476 1.00 0.00 N ATOM 542 CA PHE A 101 5.474 -2.424 -10.729 1.00 0.00 C ATOM 543 C PHE A 101 6.491 -1.361 -10.324 1.00 0.00 C ATOM 544 O PHE A 101 6.340 -0.185 -10.650 1.00 0.00 O ATOM 545 CB PHE A 101 4.164 -2.209 -9.968 1.00 0.00 C ATOM 546 CG PHE A 101 3.002 -2.962 -10.549 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.764 -4.279 -10.189 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.149 -2.354 -11.455 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.695 -4.975 -10.724 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.079 -3.044 -11.992 1.00 0.00 C ATOM 551 CZ PHE A 101 0.851 -4.356 -11.625 1.00 0.00 C ATOM 0 H PHE A 101 5.923 -4.066 -9.504 1.00 0.00 H new ATOM 0 HA PHE A 101 5.284 -2.331 -11.798 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.302 -2.514 -8.931 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.929 -1.145 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.420 -4.767 -9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.322 -1.328 -11.745 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.521 -6.002 -10.437 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.422 -2.558 -12.698 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.014 -4.897 -12.042 1.00 0.00 H new ATOM 561 N GLY A 102 7.529 -1.786 -9.609 1.00 0.00 N ATOM 562 CA GLY A 102 8.556 -0.859 -9.169 1.00 0.00 C ATOM 563 C GLY A 102 9.293 -1.351 -7.940 1.00 0.00 C ATOM 564 O GLY A 102 8.773 -2.170 -7.182 1.00 0.00 O ATOM 0 H GLY A 102 7.677 -2.755 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.269 -0.701 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.100 0.107 -8.953 1.00 0.00 H new ATOM 568 N ARG A 103 10.509 -0.852 -7.742 1.00 0.00 N ATOM 569 CA ARG A 103 11.320 -1.249 -6.597 1.00 0.00 C ATOM 570 C ARG A 103 10.667 -0.810 -5.290 1.00 0.00 C ATOM 571 O ARG A 103 10.388 0.373 -5.090 1.00 0.00 O ATOM 572 CB ARG A 103 12.723 -0.647 -6.706 1.00 0.00 C ATOM 573 CG ARG A 103 13.736 -1.577 -7.352 1.00 0.00 C ATOM 574 CD ARG A 103 15.137 -0.985 -7.318 1.00 0.00 C ATOM 575 NE ARG A 103 15.774 -1.162 -6.016 1.00 0.00 N ATOM 576 CZ ARG A 103 16.783 -0.413 -5.584 1.00 0.00 C ATOM 577 NH1 ARG A 103 17.265 0.559 -6.346 1.00 0.00 N ATOM 578 NH2 ARG A 103 17.310 -0.635 -4.387 1.00 0.00 N ATOM 0 H ARG A 103 10.954 -0.173 -8.359 1.00 0.00 H new ATOM 0 HA ARG A 103 11.397 -2.336 -6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.669 0.276 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.073 -0.379 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.733 -2.536 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.447 -1.771 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.748 -1.456 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.088 0.078 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 103 15.426 -1.901 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.861 0.733 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.040 1.132 -6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.941 -1.381 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.085 -0.060 -4.056 1.00 0.00 H new ATOM 592 N ILE A 104 10.426 -1.770 -4.404 1.00 0.00 N ATOM 593 CA ILE A 104 9.806 -1.483 -3.116 1.00 0.00 C ATOM 594 C ILE A 104 10.849 -1.422 -2.006 1.00 0.00 C ATOM 595 O ILE A 104 11.829 -2.167 -2.019 1.00 0.00 O ATOM 596 CB ILE A 104 8.746 -2.540 -2.753 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.844 -2.824 -3.956 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.921 -2.074 -1.563 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.974 -4.049 -3.782 1.00 0.00 C ATOM 0 H ILE A 104 10.651 -2.754 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 104 9.321 -0.512 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 104 9.254 -3.464 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.207 -1.958 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.464 -2.952 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.176 -2.831 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.575 -1.918 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.420 -1.139 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.361 -4.190 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.605 -4.925 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.328 -3.916 -2.914 1.00 0.00 H new ATOM 611 N SER A 105 10.630 -0.530 -1.044 1.00 0.00 N ATOM 612 CA SER A 105 11.553 -0.370 0.074 1.00 0.00 C ATOM 613 C SER A 105 10.851 -0.646 1.400 1.00 0.00 C ATOM 614 O SER A 105 11.249 -1.536 2.152 1.00 0.00 O ATOM 615 CB SER A 105 12.141 1.042 0.079 1.00 0.00 C ATOM 616 OG SER A 105 11.118 2.021 0.134 1.00 0.00 O ATOM 0 H SER A 105 9.822 0.092 -1.017 1.00 0.00 H new ATOM 0 HA SER A 105 12.361 -1.091 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.807 1.159 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.744 1.191 -0.817 1.00 0.00 H new ATOM 0 HG SER A 105 11.520 2.915 0.138 1.00 0.00 H new ATOM 622 N ASP A 106 9.805 0.124 1.680 1.00 0.00 N ATOM 623 CA ASP A 106 9.046 -0.037 2.915 1.00 0.00 C ATOM 624 C ASP A 106 7.757 -0.812 2.663 1.00 0.00 C ATOM 625 O ASP A 106 6.771 -0.256 2.181 1.00 0.00 O ATOM 626 CB ASP A 106 8.724 1.329 3.522 1.00 0.00 C ATOM 627 CG ASP A 106 7.895 1.220 4.787 1.00 0.00 C ATOM 628 OD1 ASP A 106 6.901 0.465 4.781 1.00 0.00 O ATOM 629 OD2 ASP A 106 8.240 1.890 5.783 1.00 0.00 O ATOM 0 H ASP A 106 9.463 0.866 1.069 1.00 0.00 H new ATOM 0 HA ASP A 106 9.658 -0.603 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.654 1.853 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.186 1.931 2.790 1.00 0.00 H new ATOM 634 N ALA A 107 7.773 -2.100 2.992 1.00 0.00 N ATOM 635 CA ALA A 107 6.605 -2.951 2.803 1.00 0.00 C ATOM 636 C ALA A 107 6.291 -3.743 4.068 1.00 0.00 C ATOM 637 O ALA A 107 7.159 -4.423 4.616 1.00 0.00 O ATOM 638 CB ALA A 107 6.823 -3.893 1.628 1.00 0.00 C ATOM 0 H ALA A 107 8.582 -2.576 3.391 1.00 0.00 H new ATOM 0 HA ALA A 107 5.751 -2.310 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.943 -4.523 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.990 -3.311 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.693 -4.521 1.821 1.00 0.00 H new ATOM 644 N ARG A 108 5.047 -3.649 4.526 1.00 0.00 N ATOM 645 CA ARG A 108 4.621 -4.356 5.728 1.00 0.00 C ATOM 646 C ARG A 108 3.099 -4.445 5.795 1.00 0.00 C ATOM 647 O ARG A 108 2.392 -3.636 5.193 1.00 0.00 O ATOM 648 CB ARG A 108 5.157 -3.652 6.976 1.00 0.00 C ATOM 649 CG ARG A 108 4.424 -2.364 7.311 1.00 0.00 C ATOM 650 CD ARG A 108 4.636 -1.963 8.762 1.00 0.00 C ATOM 651 NE ARG A 108 4.221 -3.014 9.687 1.00 0.00 N ATOM 652 CZ ARG A 108 4.376 -2.938 11.004 1.00 0.00 C ATOM 653 NH1 ARG A 108 4.933 -1.865 11.548 1.00 0.00 N ATOM 654 NH2 ARG A 108 3.973 -3.936 11.779 1.00 0.00 N ATOM 0 H ARG A 108 4.317 -3.091 4.083 1.00 0.00 H new ATOM 0 HA ARG A 108 5.026 -5.367 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.086 -4.332 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.215 -3.431 6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.773 -1.565 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.358 -2.490 7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.689 -1.733 8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 108 4.074 -1.053 8.972 1.00 0.00 H new ATOM 0 HE ARG A 108 3.788 -3.853 9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.244 -1.095 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.051 -1.809 12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 108 3.544 -4.763 11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.092 -3.877 12.790 1.00 0.00 H new ATOM 668 N VAL A 109 2.601 -5.433 6.530 1.00 0.00 N ATOM 669 CA VAL A 109 1.163 -5.628 6.677 1.00 0.00 C ATOM 670 C VAL A 109 0.689 -5.200 8.061 1.00 0.00 C ATOM 671 O VAL A 109 1.133 -5.739 9.075 1.00 0.00 O ATOM 672 CB VAL A 109 0.769 -7.099 6.443 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.694 -7.321 6.792 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.050 -7.502 5.003 1.00 0.00 C ATOM 0 H VAL A 109 3.172 -6.112 7.034 1.00 0.00 H new ATOM 0 HA VAL A 109 0.681 -5.006 5.923 1.00 0.00 H new ATOM 0 HB VAL A 109 1.373 -7.728 7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.955 -8.365 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.860 -7.073 7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.318 -6.684 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.766 -8.544 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.473 -6.869 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.113 -7.382 4.792 1.00 0.00 H new ATOM 684 N VAL A 110 -0.217 -4.229 8.096 1.00 0.00 N ATOM 685 CA VAL A 110 -0.754 -3.729 9.356 1.00 0.00 C ATOM 686 C VAL A 110 -1.306 -4.867 10.208 1.00 0.00 C ATOM 687 O VAL A 110 -2.023 -5.736 9.713 1.00 0.00 O ATOM 688 CB VAL A 110 -1.868 -2.692 9.120 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.437 -2.208 10.445 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.344 -1.525 8.297 1.00 0.00 C ATOM 0 H VAL A 110 -0.595 -3.772 7.266 1.00 0.00 H new ATOM 0 HA VAL A 110 0.071 -3.251 9.884 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.672 -3.170 8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.223 -1.476 10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.852 -3.054 10.993 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.645 -1.747 11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.145 -0.802 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.521 -1.046 8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.990 -1.890 7.333 1.00 0.00 H new ATOM 700 N LYS A 111 -0.967 -4.854 11.493 1.00 0.00 N ATOM 701 CA LYS A 111 -1.430 -5.884 12.416 1.00 0.00 C ATOM 702 C LYS A 111 -1.926 -5.263 13.718 1.00 0.00 C ATOM 703 O LYS A 111 -1.401 -4.246 14.172 1.00 0.00 O ATOM 704 CB LYS A 111 -0.304 -6.878 12.710 1.00 0.00 C ATOM 705 CG LYS A 111 -0.091 -7.899 11.605 1.00 0.00 C ATOM 706 CD LYS A 111 1.208 -8.664 11.796 1.00 0.00 C ATOM 707 CE LYS A 111 1.771 -9.146 10.468 1.00 0.00 C ATOM 708 NZ LYS A 111 3.242 -9.368 10.537 1.00 0.00 N ATOM 0 H LYS A 111 -0.374 -4.142 11.919 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.259 -6.412 11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.623 -6.327 12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.526 -7.402 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.927 -8.598 11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.078 -7.394 10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.939 -8.025 12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.036 -9.518 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.277 -10.074 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.550 -8.413 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.587 -9.696 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.716 -8.477 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.451 -10.086 11.259 1.00 0.00 H new ATOM 722 N ASP A 112 -2.939 -5.882 14.315 1.00 0.00 N ATOM 723 CA ASP A 112 -3.504 -5.392 15.566 1.00 0.00 C ATOM 724 C ASP A 112 -2.434 -5.307 16.650 1.00 0.00 C ATOM 725 O ASP A 112 -1.811 -6.309 17.000 1.00 0.00 O ATOM 726 CB ASP A 112 -4.644 -6.302 16.027 1.00 0.00 C ATOM 727 CG ASP A 112 -5.526 -5.643 17.069 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.053 -4.700 17.737 1.00 0.00 O ATOM 729 OD2 ASP A 112 -6.690 -6.070 17.216 1.00 0.00 O ATOM 0 H ASP A 112 -3.385 -6.724 13.952 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.897 -4.391 15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.251 -6.583 15.167 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.227 -7.222 16.437 1.00 0.00 H new ATOM 734 N MET A 113 -2.226 -4.105 17.176 1.00 0.00 N ATOM 735 CA MET A 113 -1.231 -3.890 18.220 1.00 0.00 C ATOM 736 C MET A 113 -1.655 -4.561 19.523 1.00 0.00 C ATOM 737 O MET A 113 -0.917 -4.548 20.507 1.00 0.00 O ATOM 738 CB MET A 113 -1.017 -2.393 18.451 1.00 0.00 C ATOM 739 CG MET A 113 -2.248 -1.678 18.985 1.00 0.00 C ATOM 740 SD MET A 113 -2.323 0.050 18.477 1.00 0.00 S ATOM 741 CE MET A 113 -2.666 -0.125 16.728 1.00 0.00 C ATOM 0 H MET A 113 -2.733 -3.265 16.897 1.00 0.00 H new ATOM 0 HA MET A 113 -0.293 -4.337 17.890 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.194 -2.256 19.153 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.716 -1.928 17.512 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.143 -2.194 18.637 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.252 -1.733 20.074 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.135 0.786 16.356 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.734 -0.299 16.190 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.338 -0.969 16.572 1.00 0.00 H new ATOM 751 N ALA A 114 -2.848 -5.146 19.520 1.00 0.00 N ATOM 752 CA ALA A 114 -3.369 -5.824 20.701 1.00 0.00 C ATOM 753 C ALA A 114 -3.196 -7.335 20.588 1.00 0.00 C ATOM 754 O ALA A 114 -2.687 -7.982 21.503 1.00 0.00 O ATOM 755 CB ALA A 114 -4.835 -5.473 20.906 1.00 0.00 C ATOM 0 H ALA A 114 -3.472 -5.164 18.713 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.800 -5.483 21.566 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.212 -5.986 21.791 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.936 -4.396 21.040 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.409 -5.785 20.034 1.00 0.00 H new ATOM 761 N THR A 115 -3.624 -7.892 19.459 1.00 0.00 N ATOM 762 CA THR A 115 -3.518 -9.327 19.228 1.00 0.00 C ATOM 763 C THR A 115 -2.285 -9.660 18.395 1.00 0.00 C ATOM 764 O THR A 115 -1.659 -10.702 18.584 1.00 0.00 O ATOM 765 CB THR A 115 -4.768 -9.875 18.515 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.844 -9.350 17.185 1.00 0.00 O ATOM 767 CG2 THR A 115 -6.031 -9.513 19.282 1.00 0.00 C ATOM 0 H THR A 115 -4.047 -7.371 18.691 1.00 0.00 H new ATOM 0 HA THR A 115 -3.431 -9.799 20.207 1.00 0.00 H new ATOM 0 HB THR A 115 -4.687 -10.961 18.472 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.641 -9.705 16.738 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.901 -9.911 18.759 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.983 -9.940 20.284 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.115 -8.429 19.353 1.00 0.00 H new ATOM 775 N GLY A 116 -1.941 -8.767 17.471 1.00 0.00 N ATOM 776 CA GLY A 116 -0.784 -8.985 16.624 1.00 0.00 C ATOM 777 C GLY A 116 -1.125 -9.754 15.363 1.00 0.00 C ATOM 778 O GLY A 116 -0.242 -10.300 14.701 1.00 0.00 O ATOM 0 H GLY A 116 -2.443 -7.897 17.295 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.350 -8.023 16.353 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.025 -9.531 17.185 1.00 0.00 H new ATOM 782 N LYS A 117 -2.410 -9.800 15.030 1.00 0.00 N ATOM 783 CA LYS A 117 -2.868 -10.509 13.840 1.00 0.00 C ATOM 784 C LYS A 117 -2.936 -9.570 12.640 1.00 0.00 C ATOM 785 O LYS A 117 -2.846 -8.351 12.787 1.00 0.00 O ATOM 786 CB LYS A 117 -4.242 -11.135 14.091 1.00 0.00 C ATOM 787 CG LYS A 117 -4.218 -12.271 15.099 1.00 0.00 C ATOM 788 CD LYS A 117 -5.590 -12.903 15.259 1.00 0.00 C ATOM 789 CE LYS A 117 -5.629 -13.857 16.443 1.00 0.00 C ATOM 790 NZ LYS A 117 -6.992 -13.947 17.038 1.00 0.00 N ATOM 0 H LYS A 117 -3.154 -9.355 15.567 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.151 -11.300 13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.925 -10.362 14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.641 -11.506 13.147 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.503 -13.028 14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.874 -11.896 16.063 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.338 -12.122 15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.853 -13.441 14.348 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.307 -14.848 16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.922 -13.522 17.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.977 -14.607 17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.290 -13.007 17.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.662 -14.291 16.321 1.00 0.00 H new ATOM 804 N SER A 118 -3.098 -10.146 11.453 1.00 0.00 N ATOM 805 CA SER A 118 -3.176 -9.360 10.227 1.00 0.00 C ATOM 806 C SER A 118 -4.474 -8.559 10.177 1.00 0.00 C ATOM 807 O SER A 118 -5.563 -9.124 10.079 1.00 0.00 O ATOM 808 CB SER A 118 -3.080 -10.273 9.003 1.00 0.00 C ATOM 809 OG SER A 118 -2.816 -9.526 7.829 1.00 0.00 O ATOM 0 H SER A 118 -3.178 -11.153 11.314 1.00 0.00 H new ATOM 0 HA SER A 118 -2.338 -8.663 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.290 -11.008 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.012 -10.826 8.884 1.00 0.00 H new ATOM 0 HG SER A 118 -2.758 -10.133 7.062 1.00 0.00 H new ATOM 815 N LYS A 119 -4.349 -7.238 10.245 1.00 0.00 N ATOM 816 CA LYS A 119 -5.510 -6.356 10.207 1.00 0.00 C ATOM 817 C LYS A 119 -6.249 -6.487 8.879 1.00 0.00 C ATOM 818 O LYS A 119 -7.463 -6.684 8.850 1.00 0.00 O ATOM 819 CB LYS A 119 -5.080 -4.903 10.423 1.00 0.00 C ATOM 820 CG LYS A 119 -5.017 -4.499 11.886 1.00 0.00 C ATOM 821 CD LYS A 119 -5.296 -3.016 12.067 1.00 0.00 C ATOM 822 CE LYS A 119 -5.067 -2.577 13.505 1.00 0.00 C ATOM 823 NZ LYS A 119 -5.616 -1.217 13.764 1.00 0.00 N ATOM 0 H LYS A 119 -3.455 -6.754 10.327 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.186 -6.651 11.010 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.100 -4.752 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.776 -4.245 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.743 -5.079 12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.032 -4.737 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.652 -2.440 11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.325 -2.801 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.534 -3.292 14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.999 -2.585 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.984 -0.705 14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.688 -0.695 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.560 -1.300 14.194 1.00 0.00 H new ATOM 837 N GLY A 120 -5.507 -6.377 7.781 1.00 0.00 N ATOM 838 CA GLY A 120 -6.110 -6.487 6.465 1.00 0.00 C ATOM 839 C GLY A 120 -5.450 -5.577 5.448 1.00 0.00 C ATOM 840 O GLY A 120 -5.228 -5.973 4.303 1.00 0.00 O ATOM 0 H GLY A 120 -4.500 -6.214 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.042 -7.520 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.170 -6.243 6.533 1.00 0.00 H new ATOM 844 N TYR A 121 -5.138 -4.355 5.864 1.00 0.00 N ATOM 845 CA TYR A 121 -4.504 -3.385 4.980 1.00 0.00 C ATOM 846 C TYR A 121 -2.998 -3.334 5.218 1.00 0.00 C ATOM 847 O TYR A 121 -2.525 -3.569 6.329 1.00 0.00 O ATOM 848 CB TYR A 121 -5.113 -1.998 5.190 1.00 0.00 C ATOM 849 CG TYR A 121 -5.210 -1.593 6.644 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.227 -2.083 7.455 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.285 -0.723 7.207 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.320 -1.715 8.783 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.370 -0.351 8.535 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.389 -0.850 9.319 1.00 0.00 C ATOM 855 OH TYR A 121 -5.478 -0.482 10.642 1.00 0.00 O ATOM 0 H TYR A 121 -5.314 -4.013 6.809 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.680 -3.699 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.512 -1.262 4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.109 -1.977 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.956 -2.763 7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.485 -0.331 6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.118 -2.103 9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.643 0.327 8.957 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.745 0.131 10.861 1.00 0.00 H new ATOM 865 N GLY A 122 -2.249 -3.023 4.164 1.00 0.00 N ATOM 866 CA GLY A 122 -0.804 -2.945 4.278 1.00 0.00 C ATOM 867 C GLY A 122 -0.247 -1.655 3.709 1.00 0.00 C ATOM 868 O GLY A 122 -0.984 -0.846 3.146 1.00 0.00 O ATOM 0 H GLY A 122 -2.617 -2.824 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.520 -3.028 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.355 -3.792 3.758 1.00 0.00 H new ATOM 872 N PHE A 123 1.060 -1.462 3.856 1.00 0.00 N ATOM 873 CA PHE A 123 1.716 -0.260 3.355 1.00 0.00 C ATOM 874 C PHE A 123 2.859 -0.618 2.410 1.00 0.00 C ATOM 875 O PHE A 123 3.654 -1.514 2.692 1.00 0.00 O ATOM 876 CB PHE A 123 2.245 0.581 4.519 1.00 0.00 C ATOM 877 CG PHE A 123 1.168 1.307 5.273 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.418 2.296 4.656 1.00 0.00 C ATOM 879 CD2 PHE A 123 0.905 1.001 6.598 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.574 2.966 5.346 1.00 0.00 C ATOM 881 CE2 PHE A 123 -0.087 1.667 7.294 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.826 2.651 6.667 1.00 0.00 C ATOM 0 H PHE A 123 1.685 -2.122 4.318 1.00 0.00 H new ATOM 0 HA PHE A 123 0.979 0.322 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.786 -0.067 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.962 1.307 4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.611 2.546 3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.481 0.233 7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.151 3.734 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -0.284 1.418 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.600 3.174 7.209 1.00 0.00 H new ATOM 892 N VAL A 124 2.935 0.090 1.288 1.00 0.00 N ATOM 893 CA VAL A 124 3.980 -0.152 0.300 1.00 0.00 C ATOM 894 C VAL A 124 4.597 1.157 -0.179 1.00 0.00 C ATOM 895 O VAL A 124 3.900 2.031 -0.695 1.00 0.00 O ATOM 896 CB VAL A 124 3.437 -0.926 -0.915 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.552 -1.209 -1.910 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.769 -2.218 -0.468 1.00 0.00 C ATOM 0 H VAL A 124 2.285 0.836 1.040 1.00 0.00 H new ATOM 0 HA VAL A 124 4.745 -0.753 0.791 1.00 0.00 H new ATOM 0 HB VAL A 124 2.688 -0.309 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.149 -1.757 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.981 -0.268 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.327 -1.806 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.391 -2.753 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.495 -2.842 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.942 -1.987 0.203 1.00 0.00 H new ATOM 908 N SER A 125 5.908 1.286 -0.006 1.00 0.00 N ATOM 909 CA SER A 125 6.619 2.491 -0.419 1.00 0.00 C ATOM 910 C SER A 125 7.447 2.230 -1.673 1.00 0.00 C ATOM 911 O SER A 125 7.920 1.116 -1.899 1.00 0.00 O ATOM 912 CB SER A 125 7.525 2.986 0.711 1.00 0.00 C ATOM 913 OG SER A 125 8.053 4.268 0.416 1.00 0.00 O ATOM 0 H SER A 125 6.500 0.571 0.417 1.00 0.00 H new ATOM 0 HA SER A 125 5.880 3.260 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.961 3.027 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.341 2.279 0.864 1.00 0.00 H new ATOM 0 HG SER A 125 7.491 4.956 0.829 1.00 0.00 H new ATOM 919 N PHE A 126 7.619 3.266 -2.487 1.00 0.00 N ATOM 920 CA PHE A 126 8.389 3.151 -3.720 1.00 0.00 C ATOM 921 C PHE A 126 9.409 4.280 -3.832 1.00 0.00 C ATOM 922 O PHE A 126 9.112 5.434 -3.521 1.00 0.00 O ATOM 923 CB PHE A 126 7.455 3.170 -4.933 1.00 0.00 C ATOM 924 CG PHE A 126 6.390 2.112 -4.886 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.329 2.219 -4.001 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.449 1.012 -5.726 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.347 1.247 -3.955 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.470 0.037 -5.685 1.00 0.00 C ATOM 929 CZ PHE A 126 4.417 0.155 -4.799 1.00 0.00 C ATOM 0 H PHE A 126 7.235 4.195 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 126 8.925 2.202 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 126 6.981 4.149 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.047 3.039 -5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.269 3.071 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.270 0.915 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.526 1.341 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.528 -0.816 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.650 -0.605 -4.766 1.00 0.00 H new ATOM 939 N PHE A 127 10.613 3.939 -4.278 1.00 0.00 N ATOM 940 CA PHE A 127 11.679 4.923 -4.430 1.00 0.00 C ATOM 941 C PHE A 127 11.207 6.113 -5.260 1.00 0.00 C ATOM 942 O PHE A 127 11.602 7.251 -5.012 1.00 0.00 O ATOM 943 CB PHE A 127 12.904 4.282 -5.087 1.00 0.00 C ATOM 944 CG PHE A 127 13.483 3.145 -4.294 1.00 0.00 C ATOM 945 CD1 PHE A 127 12.966 1.865 -4.414 1.00 0.00 C ATOM 946 CD2 PHE A 127 14.545 3.357 -3.429 1.00 0.00 C ATOM 947 CE1 PHE A 127 13.497 0.817 -3.687 1.00 0.00 C ATOM 948 CE2 PHE A 127 15.080 2.312 -2.700 1.00 0.00 C ATOM 949 CZ PHE A 127 14.555 1.041 -2.828 1.00 0.00 C ATOM 0 H PHE A 127 10.875 2.989 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 127 11.953 5.281 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.628 3.920 -6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.671 5.044 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.138 1.684 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 127 14.959 4.349 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.085 -0.176 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.909 2.489 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.971 0.224 -2.257 1.00 0.00 H new ATOM 959 N ASN A 128 10.359 5.839 -6.246 1.00 0.00 N ATOM 960 CA ASN A 128 9.833 6.887 -7.114 1.00 0.00 C ATOM 961 C ASN A 128 8.315 6.984 -6.991 1.00 0.00 C ATOM 962 O ASN A 128 7.669 6.100 -6.428 1.00 0.00 O ATOM 963 CB ASN A 128 10.221 6.615 -8.569 1.00 0.00 C ATOM 964 CG ASN A 128 11.699 6.311 -8.726 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.099 5.151 -8.821 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.518 7.356 -8.753 1.00 0.00 N ATOM 0 H ASN A 128 10.022 4.901 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 128 10.267 7.836 -6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.638 5.775 -8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 128 9.964 7.481 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.523 7.214 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 128 12.142 8.301 -8.671 1.00 0.00 H new ATOM 973 N LYS A 129 7.753 8.065 -7.521 1.00 0.00 N ATOM 974 CA LYS A 129 6.311 8.279 -7.473 1.00 0.00 C ATOM 975 C LYS A 129 5.599 7.419 -8.512 1.00 0.00 C ATOM 976 O LYS A 129 4.548 6.839 -8.236 1.00 0.00 O ATOM 977 CB LYS A 129 5.986 9.756 -7.708 1.00 0.00 C ATOM 978 CG LYS A 129 4.520 10.016 -8.007 1.00 0.00 C ATOM 979 CD LYS A 129 4.183 11.494 -7.904 1.00 0.00 C ATOM 980 CE LYS A 129 2.741 11.708 -7.469 1.00 0.00 C ATOM 981 NZ LYS A 129 2.613 11.781 -5.987 1.00 0.00 N ATOM 0 H LYS A 129 8.274 8.807 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 129 5.958 7.989 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.275 10.328 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.588 10.124 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.283 9.657 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.900 9.451 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.854 11.972 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.348 11.974 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.361 12.629 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.123 10.894 -7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.158 10.915 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.557 11.873 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.035 12.606 -5.729 1.00 0.00 H new ATOM 995 N TRP A 130 6.176 7.341 -9.705 1.00 0.00 N ATOM 996 CA TRP A 130 5.596 6.550 -10.785 1.00 0.00 C ATOM 997 C TRP A 130 5.439 5.092 -10.367 1.00 0.00 C ATOM 998 O TRP A 130 4.332 4.554 -10.362 1.00 0.00 O ATOM 999 CB TRP A 130 6.468 6.644 -12.038 1.00 0.00 C ATOM 1000 CG TRP A 130 7.357 7.850 -12.054 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.722 7.862 -12.026 1.00 0.00 C ATOM 1002 CD2 TRP A 130 6.942 9.220 -12.101 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.181 9.157 -12.052 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.109 10.009 -12.099 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.699 9.856 -12.146 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.067 11.400 -12.140 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.659 11.237 -12.186 1.00 0.00 C ATOM 1008 CH2 TRP A 130 6.837 11.997 -12.183 1.00 0.00 C ATOM 0 H TRP A 130 7.045 7.816 -9.950 1.00 0.00 H new ATOM 0 HA TRP A 130 4.608 6.953 -11.008 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.083 5.747 -12.112 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.826 6.663 -12.918 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.349 6.983 -11.989 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.161 9.438 -12.038 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.786 9.279 -12.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 8.974 11.987 -12.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.704 11.739 -12.220 1.00 0.00 H new ATOM 0 HH2 TRP A 130 6.772 13.075 -12.215 1.00 0.00 H new ATOM 1019 N ASP A 131 6.553 4.458 -10.019 1.00 0.00 N ATOM 1020 CA ASP A 131 6.538 3.061 -9.599 1.00 0.00 C ATOM 1021 C ASP A 131 5.277 2.747 -8.800 1.00 0.00 C ATOM 1022 O ASP A 131 4.681 1.682 -8.955 1.00 0.00 O ATOM 1023 CB ASP A 131 7.779 2.745 -8.762 1.00 0.00 C ATOM 1024 CG ASP A 131 8.994 2.448 -9.618 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.814 2.001 -10.771 1.00 0.00 O ATOM 1026 OD2 ASP A 131 10.126 2.662 -9.136 1.00 0.00 O ATOM 0 H ASP A 131 7.478 4.889 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 131 6.544 2.438 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.997 3.589 -8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.572 1.889 -8.120 1.00 0.00 H new ATOM 1031 N ALA A 132 4.876 3.683 -7.945 1.00 0.00 N ATOM 1032 CA ALA A 132 3.686 3.506 -7.123 1.00 0.00 C ATOM 1033 C ALA A 132 2.417 3.748 -7.935 1.00 0.00 C ATOM 1034 O ALA A 132 1.567 2.866 -8.049 1.00 0.00 O ATOM 1035 CB ALA A 132 3.731 4.439 -5.922 1.00 0.00 C ATOM 0 H ALA A 132 5.358 4.571 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 132 3.669 2.475 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.836 4.296 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.614 4.218 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.776 5.472 -6.266 1.00 0.00 H new ATOM 1041 N GLU A 133 2.298 4.947 -8.494 1.00 0.00 N ATOM 1042 CA GLU A 133 1.131 5.304 -9.294 1.00 0.00 C ATOM 1043 C GLU A 133 0.737 4.158 -10.222 1.00 0.00 C ATOM 1044 O GLU A 133 -0.404 3.700 -10.210 1.00 0.00 O ATOM 1045 CB GLU A 133 1.413 6.565 -10.113 1.00 0.00 C ATOM 1046 CG GLU A 133 1.383 7.843 -9.293 1.00 0.00 C ATOM 1047 CD GLU A 133 0.936 9.045 -10.101 1.00 0.00 C ATOM 1048 OE1 GLU A 133 1.262 9.106 -11.305 1.00 0.00 O ATOM 1049 OE2 GLU A 133 0.259 9.926 -9.530 1.00 0.00 O ATOM 0 H GLU A 133 2.994 5.688 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 133 0.302 5.500 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.390 6.470 -10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.677 6.640 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.711 7.710 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.376 8.033 -8.886 1.00 0.00 H new ATOM 1056 N ASN A 134 1.692 3.701 -11.026 1.00 0.00 N ATOM 1057 CA ASN A 134 1.445 2.610 -11.962 1.00 0.00 C ATOM 1058 C ASN A 134 0.637 1.498 -11.300 1.00 0.00 C ATOM 1059 O ASN A 134 -0.273 0.933 -11.906 1.00 0.00 O ATOM 1060 CB ASN A 134 2.769 2.051 -12.486 1.00 0.00 C ATOM 1061 CG ASN A 134 2.601 1.288 -13.786 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.728 1.603 -14.595 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.437 0.277 -13.991 1.00 0.00 N ATOM 0 H ASN A 134 2.643 4.069 -11.048 1.00 0.00 H new ATOM 0 HA ASN A 134 0.869 3.005 -12.798 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.472 2.870 -12.637 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.205 1.392 -11.735 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.371 -0.274 -14.847 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.146 0.052 -13.293 1.00 0.00 H new ATOM 1070 N ALA A 135 0.977 1.189 -10.053 1.00 0.00 N ATOM 1071 CA ALA A 135 0.282 0.147 -9.308 1.00 0.00 C ATOM 1072 C ALA A 135 -1.082 0.632 -8.828 1.00 0.00 C ATOM 1073 O ALA A 135 -2.111 0.039 -9.154 1.00 0.00 O ATOM 1074 CB ALA A 135 1.126 -0.311 -8.128 1.00 0.00 C ATOM 0 H ALA A 135 1.730 1.646 -9.538 1.00 0.00 H new ATOM 0 HA ALA A 135 0.123 -0.699 -9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.594 -1.089 -7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.075 -0.706 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.314 0.534 -7.466 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.082 1.711 -8.053 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.320 2.274 -7.529 1.00 0.00 C ATOM 1082 C ILE A 136 -3.435 2.214 -8.568 1.00 0.00 C ATOM 1083 O ILE A 136 -4.610 2.094 -8.224 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.129 3.736 -7.083 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.119 3.814 -5.936 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.461 4.341 -6.665 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.716 5.228 -5.581 1.00 0.00 C ATOM 0 H ILE A 136 -0.239 2.213 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.599 1.672 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.740 4.309 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.544 3.334 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.228 3.248 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.309 5.374 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.153 4.314 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.876 3.768 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 136 0.001 5.207 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.261 5.705 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.598 5.792 -5.277 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.056 2.294 -9.839 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.024 2.247 -10.929 1.00 0.00 C ATOM 1101 C GLN A 137 -4.305 0.807 -11.346 1.00 0.00 C ATOM 1102 O GLN A 137 -5.418 0.310 -11.180 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.513 3.048 -12.128 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.035 4.445 -11.768 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.083 5.020 -12.798 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.066 4.248 -13.161 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.260 6.146 -13.263 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.086 2.392 -10.140 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.954 2.691 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.694 2.502 -12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.309 3.125 -12.869 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -3.897 5.105 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.540 4.417 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.055 6.706 -12.955 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -1.611 6.519 -13.956 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.288 0.145 -11.888 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.427 -1.238 -12.329 1.00 0.00 C ATOM 1118 C GLN A 138 -3.781 -2.150 -11.160 1.00 0.00 C ATOM 1119 O GLN A 138 -4.834 -2.788 -11.154 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.133 -1.717 -12.991 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.629 -0.788 -14.084 1.00 0.00 C ATOM 1122 CD GLN A 138 -2.217 -1.112 -15.443 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -3.435 -1.202 -15.599 1.00 0.00 O ATOM 1124 NE2 GLN A 138 -1.353 -1.290 -16.435 1.00 0.00 N ATOM 0 H GLN A 138 -2.360 0.543 -12.032 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.237 -1.280 -13.057 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.361 -1.820 -12.228 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.297 -2.708 -13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -1.874 0.241 -13.822 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -0.542 -0.853 -14.138 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -0.352 -1.206 -16.260 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -1.691 -1.511 -17.372 1.00 0.00 H new ATOM 1133 N MET A 139 -2.895 -2.207 -10.171 1.00 0.00 N ATOM 1134 CA MET A 139 -3.116 -3.041 -8.995 1.00 0.00 C ATOM 1135 C MET A 139 -4.509 -2.809 -8.418 1.00 0.00 C ATOM 1136 O MET A 139 -5.147 -3.736 -7.920 1.00 0.00 O ATOM 1137 CB MET A 139 -2.056 -2.751 -7.931 1.00 0.00 C ATOM 1138 CG MET A 139 -0.681 -3.301 -8.277 1.00 0.00 C ATOM 1139 SD MET A 139 -0.709 -5.069 -8.628 1.00 0.00 S ATOM 1140 CE MET A 139 -1.482 -5.697 -7.139 1.00 0.00 C ATOM 0 H MET A 139 -2.018 -1.686 -10.160 1.00 0.00 H new ATOM 0 HA MET A 139 -3.038 -4.084 -9.301 1.00 0.00 H new ATOM 0 HB2 MET A 139 -1.982 -1.673 -7.788 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.380 -3.177 -6.981 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.288 -2.769 -9.143 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.002 -3.110 -7.449 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.243 -6.754 -7.023 1.00 0.00 H new ATOM 0 HE2 MET A 139 -1.111 -5.145 -6.276 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.563 -5.575 -7.211 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.974 -1.566 -8.487 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.288 -1.235 -7.967 1.00 0.00 C ATOM 1152 C GLY A 140 -7.389 -2.056 -8.609 1.00 0.00 C ATOM 1153 O GLY A 140 -7.625 -1.959 -9.812 1.00 0.00 O ATOM 0 H GLY A 140 -4.464 -0.782 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.300 -1.396 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.485 -0.176 -8.133 1.00 0.00 H new ATOM 1157 N GLY A 141 -8.065 -2.870 -7.803 1.00 0.00 N ATOM 1158 CA GLY A 141 -9.138 -3.701 -8.318 1.00 0.00 C ATOM 1159 C GLY A 141 -8.697 -5.130 -8.562 1.00 0.00 C ATOM 1160 O GLY A 141 -9.527 -6.033 -8.659 1.00 0.00 O ATOM 0 H GLY A 141 -7.889 -2.969 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.969 -3.696 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.509 -3.274 -9.250 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.388 -5.335 -8.664 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.840 -6.665 -8.902 1.00 0.00 C ATOM 1166 C GLN A 142 -7.095 -7.580 -7.709 1.00 0.00 C ATOM 1167 O GLN A 142 -7.648 -7.154 -6.695 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.338 -6.578 -9.181 1.00 0.00 C ATOM 1169 CG GLN A 142 -5.007 -6.039 -10.563 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.708 -6.801 -11.670 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -6.839 -6.483 -12.038 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -5.038 -7.813 -12.210 1.00 0.00 N ATOM 0 H GLN A 142 -6.688 -4.598 -8.586 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.341 -7.086 -9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.874 -5.939 -8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.898 -7.569 -9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.289 -4.988 -10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.929 -6.088 -10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -4.102 -8.042 -11.874 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -5.459 -8.361 -12.960 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.689 -8.838 -7.838 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.875 -9.814 -6.769 1.00 0.00 C ATOM 1183 C TRP A 143 -5.532 -10.280 -6.218 1.00 0.00 C ATOM 1184 O TRP A 143 -4.658 -10.714 -6.970 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.674 -11.014 -7.280 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.130 -10.717 -7.478 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.666 -9.683 -8.191 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.235 -11.461 -6.953 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -11.038 -9.740 -8.142 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.412 -10.821 -7.390 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -10.345 -12.605 -6.159 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.680 -11.289 -7.056 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.605 -13.068 -5.829 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.759 -12.412 -6.278 1.00 0.00 C ATOM 0 H TRP A 143 -6.229 -9.206 -8.671 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.430 -9.333 -5.964 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.247 -11.350 -8.225 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.571 -11.837 -6.573 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.096 -8.931 -8.716 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.675 -9.083 -8.593 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.462 -13.118 -5.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.570 -10.783 -7.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.702 -13.951 -5.214 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.729 -12.800 -6.005 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.373 -10.187 -4.903 1.00 0.00 N ATOM 1206 CA LEU A 144 -4.135 -10.600 -4.251 1.00 0.00 C ATOM 1207 C LEU A 144 -4.401 -11.690 -3.217 1.00 0.00 C ATOM 1208 O LEU A 144 -5.203 -11.510 -2.302 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.463 -9.400 -3.581 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.148 -9.685 -2.855 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -1.070 -10.098 -3.845 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.704 -8.468 -2.058 1.00 0.00 C ATOM 0 H LEU A 144 -6.086 -9.829 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.469 -11.003 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.278 -8.642 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.164 -8.969 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.310 -10.510 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.141 -10.297 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.385 -10.999 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.910 -9.295 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.766 -8.689 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.560 -7.624 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.467 -8.217 -1.321 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.719 -12.822 -3.369 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.895 -13.924 -2.441 1.00 0.00 C ATOM 1226 C GLY A 145 -5.214 -14.643 -2.637 1.00 0.00 C ATOM 1227 O GLY A 145 -5.431 -15.719 -2.083 1.00 0.00 O ATOM 0 H GLY A 145 -3.048 -12.995 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -3.077 -14.633 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.839 -13.547 -1.420 1.00 0.00 H new ATOM 1231 N GLY A 146 -6.101 -14.045 -3.428 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.396 -14.649 -3.680 1.00 0.00 C ATOM 1233 C GLY A 146 -8.540 -13.677 -3.469 1.00 0.00 C ATOM 1234 O GLY A 146 -9.693 -13.991 -3.765 1.00 0.00 O ATOM 0 H GLY A 146 -5.945 -13.153 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.426 -15.024 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.527 -15.508 -3.022 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.222 -12.494 -2.954 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.232 -11.474 -2.701 1.00 0.00 C ATOM 1240 C ARG A 147 -8.807 -10.130 -3.286 1.00 0.00 C ATOM 1241 O ARG A 147 -7.624 -9.792 -3.292 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.479 -11.332 -1.198 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.571 -12.249 -0.672 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.838 -12.007 0.806 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.956 -12.807 1.299 1.00 0.00 N ATOM 1246 CZ ARG A 147 -12.541 -12.606 2.475 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -12.116 -11.637 3.274 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -13.553 -13.376 2.853 1.00 0.00 N ATOM 0 H ARG A 147 -7.272 -12.218 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.156 -11.786 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.552 -11.541 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.747 -10.299 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.488 -12.088 -1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.280 -13.288 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.942 -12.244 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -11.050 -10.950 0.968 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.307 -13.561 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -11.338 -11.043 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -12.567 -11.485 4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.882 -14.123 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -14.002 -13.222 3.756 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.780 -9.370 -3.777 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.506 -8.064 -4.365 1.00 0.00 C ATOM 1264 C GLN A 148 -8.714 -7.188 -3.401 1.00 0.00 C ATOM 1265 O GLN A 148 -8.725 -7.414 -2.190 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.813 -7.369 -4.748 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.302 -7.718 -6.145 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.351 -6.750 -6.655 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.297 -6.410 -5.944 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.189 -6.300 -7.894 1.00 0.00 N ATOM 0 H GLN A 148 -10.765 -9.636 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.908 -8.217 -5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.583 -7.638 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.674 -6.290 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.455 -7.725 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.716 -8.726 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.390 -6.608 -8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.864 -5.646 -8.291 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.028 -6.188 -3.944 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.231 -5.278 -3.131 1.00 0.00 C ATOM 1281 C ILE A 149 -7.517 -3.825 -3.492 1.00 0.00 C ATOM 1282 O ILE A 149 -7.767 -3.501 -4.653 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.724 -5.550 -3.295 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.315 -5.411 -4.763 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.375 -6.935 -2.771 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.831 -5.198 -4.959 1.00 0.00 C ATOM 0 H ILE A 149 -8.008 -5.987 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.512 -5.453 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.172 -4.813 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.620 -6.307 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.855 -4.574 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.307 -7.112 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.634 -7.000 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -5.934 -7.686 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.614 -5.108 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.524 -4.286 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.284 -6.046 -4.548 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.476 -2.953 -2.490 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.730 -1.533 -2.703 1.00 0.00 C ATOM 1300 C ARG A 150 -6.435 -0.729 -2.612 1.00 0.00 C ATOM 1301 O ARG A 150 -5.760 -0.733 -1.583 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.737 -1.014 -1.675 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.249 -1.113 -0.239 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.330 -0.699 0.747 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.330 -1.746 0.935 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.516 -1.537 1.495 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.849 -0.326 1.919 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -12.373 -2.542 1.631 1.00 0.00 N ATOM 0 H ARG A 150 -7.269 -3.205 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.145 -1.410 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -8.969 0.027 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.666 -1.576 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.937 -2.136 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.372 -0.479 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -8.872 -0.459 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -9.818 0.208 0.390 1.00 0.00 H new ATOM 0 HE ARG A 150 -10.106 -2.689 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -11.194 0.449 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.761 -0.169 2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -12.121 -3.475 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -13.284 -2.381 2.061 1.00 0.00 H new ATOM 1322 N THR A 151 -6.095 -0.042 -3.698 1.00 0.00 N ATOM 1323 CA THR A 151 -4.881 0.764 -3.742 1.00 0.00 C ATOM 1324 C THR A 151 -5.211 2.250 -3.830 1.00 0.00 C ATOM 1325 O THR A 151 -5.978 2.675 -4.693 1.00 0.00 O ATOM 1326 CB THR A 151 -3.993 0.376 -4.939 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.637 0.738 -6.166 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.701 -1.117 -4.935 1.00 0.00 C ATOM 0 H THR A 151 -6.643 -0.028 -4.558 1.00 0.00 H new ATOM 0 HA THR A 151 -4.338 0.569 -2.817 1.00 0.00 H new ATOM 0 HB THR A 151 -3.050 0.915 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.497 1.692 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 151 -3.072 -1.367 -5.790 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.184 -1.384 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.637 -1.671 -4.999 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.626 3.035 -2.931 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.859 4.475 -2.907 1.00 0.00 C ATOM 1338 C ASN A 152 -3.669 5.208 -2.295 1.00 0.00 C ATOM 1339 O ASN A 152 -2.801 4.594 -1.675 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.130 4.794 -2.117 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.570 6.235 -2.288 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -6.970 6.649 -3.377 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -6.497 7.008 -1.211 1.00 0.00 N ATOM 0 H ASN A 152 -3.988 2.699 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 152 -4.983 4.815 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.932 4.131 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -5.958 4.593 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -6.779 7.987 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -6.159 6.623 -0.329 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.636 6.523 -2.474 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.553 7.340 -1.939 1.00 0.00 C ATOM 1352 C TRP A 153 -2.519 7.271 -0.417 1.00 0.00 C ATOM 1353 O TRP A 153 -3.558 7.335 0.239 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.710 8.793 -2.393 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.180 9.045 -3.772 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -2.870 9.554 -4.835 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -0.848 8.798 -4.237 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.047 9.638 -5.932 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.802 9.181 -5.591 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.310 8.292 -3.640 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.357 9.073 -6.356 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.458 8.184 -4.400 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.476 8.574 -5.746 1.00 0.00 C ATOM 0 H TRP A 153 -4.346 7.047 -2.985 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.612 6.947 -2.322 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.765 9.064 -2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.193 9.444 -1.688 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -3.909 9.847 -4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.319 9.985 -6.852 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.307 7.991 -2.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.372 9.372 -7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.358 7.792 -3.949 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.390 8.479 -6.313 1.00 0.00 H new