USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 15:sc= 0.638 USER MOD Single : A 36 ASN : amide:sc= -0.59 K(o=-0.59,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= -0.512 USER MOD Single : A 38 ASN : amide:sc= -3.17 K(o=-3.2,f=-8.8!) USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= 0.868 (180deg=-2.08!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.803 F(o=-1.3,f=-0.8) USER MOD Single : A 47 SER OG : rot -63:sc= 0.89 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.96 F(o=-2.6!,f=-2) USER MOD Single : A 52 CYS SG : rot -120:sc= -8.8! USER MOD Single : A 53 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.57) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc=-0.00873 K(o=-0.0087,f=-0.58) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00708 X(o=-0.0071,f=-0.00062) USER MOD Single : A 81 SER OG : rot -100:sc= 0.0621 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0965 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 175 N ARG A 16 0.589 5.668 15.206 1.00 0.00 N ATOM 176 CA ARG A 16 1.533 6.649 14.699 1.00 0.00 C ATOM 177 C ARG A 16 1.744 6.455 13.196 1.00 0.00 C ATOM 178 O ARG A 16 1.788 5.325 12.712 1.00 0.00 O ATOM 179 CB ARG A 16 2.881 6.537 15.414 1.00 0.00 C ATOM 180 CG ARG A 16 3.504 7.918 15.628 1.00 0.00 C ATOM 181 CD ARG A 16 4.907 7.986 15.023 1.00 0.00 C ATOM 182 NE ARG A 16 5.759 8.896 15.821 1.00 0.00 N ATOM 183 CZ ARG A 16 7.075 9.055 15.628 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.699 8.366 14.662 1.00 0.00 N ATOM 185 NH2 ARG A 16 7.769 9.902 16.400 1.00 0.00 N ATOM 0 HA ARG A 16 1.116 7.638 14.887 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.747 6.042 16.376 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.558 5.916 14.827 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.871 8.681 15.174 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.553 8.138 16.695 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.349 6.990 14.997 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.851 8.337 13.993 1.00 0.00 H new ATOM 0 HE ARG A 16 5.316 9.436 16.565 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.172 7.721 14.074 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.701 8.487 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.295 10.426 17.136 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.771 10.022 16.252 1.00 0.00 H new ATOM 199 N ILE A 17 1.868 7.575 12.499 1.00 0.00 N ATOM 200 CA ILE A 17 2.074 7.543 11.061 1.00 0.00 C ATOM 201 C ILE A 17 3.575 7.523 10.764 1.00 0.00 C ATOM 202 O ILE A 17 4.381 7.933 11.598 1.00 0.00 O ATOM 203 CB ILE A 17 1.329 8.698 10.387 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.085 8.843 10.953 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.325 8.534 8.866 1.00 0.00 C ATOM 206 CD1 ILE A 17 -0.988 7.706 10.470 1.00 0.00 C ATOM 0 H ILE A 17 1.830 8.511 12.904 1.00 0.00 H new ATOM 0 HA ILE A 17 1.653 6.631 10.637 1.00 0.00 H new ATOM 0 HB ILE A 17 1.860 9.624 10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.046 8.844 12.042 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.506 9.801 10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.789 9.368 8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.351 8.519 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.831 7.599 8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.987 7.833 10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.044 7.723 9.382 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.577 6.751 10.797 1.00 0.00 H new ATOM 218 N ILE A 18 3.904 7.041 9.575 1.00 0.00 N ATOM 219 CA ILE A 18 5.294 6.962 9.158 1.00 0.00 C ATOM 220 C ILE A 18 5.403 7.359 7.685 1.00 0.00 C ATOM 221 O ILE A 18 4.447 7.211 6.925 1.00 0.00 O ATOM 222 CB ILE A 18 5.867 5.577 9.466 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.933 4.473 8.967 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.180 5.432 10.956 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.706 3.181 8.696 1.00 0.00 C ATOM 0 H ILE A 18 3.232 6.701 8.887 1.00 0.00 H new ATOM 0 HA ILE A 18 5.903 7.667 9.724 1.00 0.00 H new ATOM 0 HB ILE A 18 6.808 5.470 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.156 4.287 9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.433 4.800 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.586 4.439 11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.911 6.185 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.266 5.568 11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.018 2.413 8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.466 3.364 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.185 2.844 9.615 1.00 0.00 H new ATOM 237 N ARG A 19 6.577 7.856 7.325 1.00 0.00 N ATOM 238 CA ARG A 19 6.825 8.276 5.956 1.00 0.00 C ATOM 239 C ARG A 19 7.432 7.126 5.149 1.00 0.00 C ATOM 240 O ARG A 19 8.621 6.835 5.275 1.00 0.00 O ATOM 241 CB ARG A 19 7.771 9.478 5.910 1.00 0.00 C ATOM 242 CG ARG A 19 7.986 9.952 4.472 1.00 0.00 C ATOM 243 CD ARG A 19 9.005 11.091 4.417 1.00 0.00 C ATOM 244 NE ARG A 19 9.852 10.955 3.211 1.00 0.00 N ATOM 245 CZ ARG A 19 10.765 11.859 2.828 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.954 12.969 3.553 1.00 0.00 N ATOM 247 NH2 ARG A 19 11.488 11.652 1.719 1.00 0.00 N ATOM 0 H ARG A 19 7.368 7.977 7.958 1.00 0.00 H new ATOM 0 HA ARG A 19 5.869 8.565 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.360 10.292 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.729 9.209 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.332 9.120 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.038 10.286 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.489 12.051 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.627 11.077 5.312 1.00 0.00 H new ATOM 0 HE ARG A 19 9.734 10.121 2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.403 13.127 4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.649 13.657 3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.344 10.807 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.183 12.340 1.427 1.00 0.00 H new ATOM 261 N VAL A 20 6.589 6.504 4.339 1.00 0.00 N ATOM 262 CA VAL A 20 7.028 5.393 3.512 1.00 0.00 C ATOM 263 C VAL A 20 7.156 5.861 2.061 1.00 0.00 C ATOM 264 O VAL A 20 6.175 6.284 1.453 1.00 0.00 O ATOM 265 CB VAL A 20 6.073 4.209 3.676 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.630 2.957 2.996 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.776 3.945 5.153 1.00 0.00 C ATOM 0 H VAL A 20 5.604 6.748 4.237 1.00 0.00 H new ATOM 0 HA VAL A 20 8.012 5.047 3.829 1.00 0.00 H new ATOM 0 HB VAL A 20 5.134 4.466 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.932 2.130 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.766 3.151 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.589 2.696 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.095 3.099 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.705 3.719 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.316 4.829 5.595 1.00 0.00 H new ATOM 277 N SER A 21 8.375 5.770 1.549 1.00 0.00 N ATOM 278 CA SER A 21 8.644 6.180 0.181 1.00 0.00 C ATOM 279 C SER A 21 8.116 5.126 -0.794 1.00 0.00 C ATOM 280 O SER A 21 8.657 4.025 -0.877 1.00 0.00 O ATOM 281 CB SER A 21 10.141 6.406 -0.042 1.00 0.00 C ATOM 282 OG SER A 21 10.557 7.696 0.399 1.00 0.00 O ATOM 0 H SER A 21 9.187 5.419 2.057 1.00 0.00 H new ATOM 0 HA SER A 21 8.130 7.124 -0.000 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.706 5.641 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.371 6.293 -1.101 1.00 0.00 H new ATOM 0 HG SER A 21 11.518 7.801 0.241 1.00 0.00 H new ATOM 288 N VAL A 22 7.064 5.501 -1.508 1.00 0.00 N ATOM 289 CA VAL A 22 6.457 4.602 -2.474 1.00 0.00 C ATOM 290 C VAL A 22 7.124 4.798 -3.837 1.00 0.00 C ATOM 291 O VAL A 22 7.094 5.893 -4.395 1.00 0.00 O ATOM 292 CB VAL A 22 4.943 4.821 -2.513 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.322 4.143 -3.736 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.284 4.332 -1.222 1.00 0.00 C ATOM 0 H VAL A 22 6.617 6.415 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 22 6.615 3.564 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 22 4.762 5.893 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.246 4.314 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.759 4.560 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.519 3.072 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.208 4.500 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.479 3.267 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.694 4.880 -0.374 1.00 0.00 H new ATOM 304 N LYS A 23 7.712 3.719 -4.333 1.00 0.00 N ATOM 305 CA LYS A 23 8.386 3.758 -5.619 1.00 0.00 C ATOM 306 C LYS A 23 7.466 3.170 -6.691 1.00 0.00 C ATOM 307 O LYS A 23 7.100 1.997 -6.624 1.00 0.00 O ATOM 308 CB LYS A 23 9.748 3.067 -5.532 1.00 0.00 C ATOM 309 CG LYS A 23 10.804 3.833 -6.331 1.00 0.00 C ATOM 310 CD LYS A 23 11.448 4.929 -5.479 1.00 0.00 C ATOM 311 CE LYS A 23 12.900 4.581 -5.145 1.00 0.00 C ATOM 312 NZ LYS A 23 13.726 5.808 -5.081 1.00 0.00 N ATOM 0 H LYS A 23 7.735 2.812 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 23 8.595 4.788 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.057 2.995 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.668 2.048 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.571 3.143 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.346 4.277 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.411 5.879 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.880 5.059 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.944 4.056 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.301 3.905 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.708 5.554 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.698 6.294 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.352 6.440 -4.344 1.00 0.00 H new ATOM 326 N THR A 24 7.118 4.011 -7.653 1.00 0.00 N ATOM 327 CA THR A 24 6.247 3.590 -8.737 1.00 0.00 C ATOM 328 C THR A 24 7.014 3.570 -10.060 1.00 0.00 C ATOM 329 O THR A 24 8.036 4.240 -10.200 1.00 0.00 O ATOM 330 CB THR A 24 5.030 4.517 -8.754 1.00 0.00 C ATOM 331 OG1 THR A 24 5.506 5.703 -9.385 1.00 0.00 O ATOM 332 CG2 THR A 24 4.625 4.977 -7.352 1.00 0.00 C ATOM 0 H THR A 24 7.424 4.983 -7.705 1.00 0.00 H new ATOM 0 HA THR A 24 5.894 2.570 -8.587 1.00 0.00 H new ATOM 0 HB THR A 24 4.190 4.005 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.068 6.204 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.757 5.632 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.377 4.109 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.453 5.518 -6.893 1.00 0.00 H new ATOM 340 N PRO A 25 6.478 2.774 -11.024 1.00 0.00 N ATOM 341 CA PRO A 25 7.101 2.658 -12.331 1.00 0.00 C ATOM 342 C PRO A 25 6.845 3.909 -13.174 1.00 0.00 C ATOM 343 O PRO A 25 6.251 3.828 -14.248 1.00 0.00 O ATOM 344 CB PRO A 25 6.505 1.399 -12.941 1.00 0.00 C ATOM 345 CG PRO A 25 5.236 1.115 -12.154 1.00 0.00 C ATOM 346 CD PRO A 25 5.269 1.966 -10.895 1.00 0.00 C ATOM 0 HA PRO A 25 8.187 2.582 -12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.284 1.544 -13.999 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.202 0.564 -12.872 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.355 1.351 -12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.174 0.057 -11.898 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.381 2.593 -10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.301 1.346 -9.999 1.00 0.00 H new ATOM 354 N GLN A 26 7.305 5.038 -12.655 1.00 0.00 N ATOM 355 CA GLN A 26 7.133 6.304 -13.346 1.00 0.00 C ATOM 356 C GLN A 26 7.742 7.443 -12.526 1.00 0.00 C ATOM 357 O GLN A 26 8.612 8.165 -13.010 1.00 0.00 O ATOM 358 CB GLN A 26 5.656 6.571 -13.642 1.00 0.00 C ATOM 359 CG GLN A 26 5.397 6.608 -15.149 1.00 0.00 C ATOM 360 CD GLN A 26 4.035 7.232 -15.457 1.00 0.00 C ATOM 361 OE1 GLN A 26 3.914 8.412 -15.744 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.018 6.378 -15.380 1.00 0.00 N ATOM 0 H GLN A 26 7.797 5.102 -11.764 1.00 0.00 H new ATOM 0 HA GLN A 26 7.657 6.249 -14.300 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.043 5.795 -13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.357 7.519 -13.195 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.183 7.180 -15.642 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.437 5.597 -15.553 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.188 5.403 -15.134 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.068 6.698 -15.567 1.00 0.00 H new ATOM 371 N ASP A 27 7.262 7.568 -11.298 1.00 0.00 N ATOM 372 CA ASP A 27 7.748 8.607 -10.406 1.00 0.00 C ATOM 373 C ASP A 27 7.862 8.044 -8.988 1.00 0.00 C ATOM 374 O ASP A 27 7.634 6.855 -8.768 1.00 0.00 O ATOM 375 CB ASP A 27 6.784 9.795 -10.366 1.00 0.00 C ATOM 376 CG ASP A 27 7.453 11.170 -10.341 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.267 11.423 -11.256 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.137 11.938 -9.406 1.00 0.00 O ATOM 0 H ASP A 27 6.541 6.967 -10.899 1.00 0.00 H new ATOM 0 HA ASP A 27 8.717 8.941 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.130 9.742 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.150 9.700 -9.484 1.00 0.00 H new ATOM 383 N CYS A 28 8.215 8.924 -8.062 1.00 0.00 N ATOM 384 CA CYS A 28 8.363 8.529 -6.672 1.00 0.00 C ATOM 385 C CYS A 28 7.450 9.415 -5.821 1.00 0.00 C ATOM 386 O CYS A 28 7.364 10.621 -6.047 1.00 0.00 O ATOM 387 CB CYS A 28 9.821 8.605 -6.214 1.00 0.00 C ATOM 388 SG CYS A 28 10.307 10.351 -5.961 1.00 0.00 S ATOM 0 H CYS A 28 8.403 9.909 -8.248 1.00 0.00 H new ATOM 0 HA CYS A 28 8.068 7.486 -6.554 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.949 8.045 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.469 8.143 -6.958 1.00 0.00 H new ATOM 0 HG CYS A 28 9.242 11.095 -5.908 1.00 0.00 H new ATOM 394 N HIS A 29 6.792 8.783 -4.861 1.00 0.00 N ATOM 395 CA HIS A 29 5.889 9.499 -3.976 1.00 0.00 C ATOM 396 C HIS A 29 6.153 9.082 -2.528 1.00 0.00 C ATOM 397 O HIS A 29 6.813 8.075 -2.278 1.00 0.00 O ATOM 398 CB HIS A 29 4.434 9.288 -4.398 1.00 0.00 C ATOM 399 CG HIS A 29 3.539 10.475 -4.131 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.527 11.601 -4.936 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.627 10.699 -3.142 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.644 12.458 -4.444 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.088 11.897 -3.332 1.00 0.00 N ATOM 0 H HIS A 29 6.866 7.783 -4.676 1.00 0.00 H new ATOM 0 HA HIS A 29 6.075 10.570 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.405 9.056 -5.463 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.036 8.420 -3.872 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.384 10.017 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.406 13.429 -4.852 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.375 12.327 -2.743 1.00 0.00 H new ATOM 411 N GLU A 30 5.624 9.879 -1.611 1.00 0.00 N ATOM 412 CA GLU A 30 5.793 9.605 -0.194 1.00 0.00 C ATOM 413 C GLU A 30 4.435 9.591 0.511 1.00 0.00 C ATOM 414 O GLU A 30 3.767 10.620 0.599 1.00 0.00 O ATOM 415 CB GLU A 30 6.735 10.624 0.452 1.00 0.00 C ATOM 416 CG GLU A 30 6.082 12.005 0.525 1.00 0.00 C ATOM 417 CD GLU A 30 7.096 13.108 0.216 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.305 13.366 -0.989 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.640 13.669 1.192 1.00 0.00 O ATOM 0 H GLU A 30 5.078 10.714 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 30 6.246 8.619 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.004 10.291 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.660 10.685 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.255 12.058 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.662 12.160 1.519 1.00 0.00 H new ATOM 426 N PHE A 31 4.068 8.413 0.994 1.00 0.00 N ATOM 427 CA PHE A 31 2.801 8.252 1.688 1.00 0.00 C ATOM 428 C PHE A 31 3.006 8.226 3.204 1.00 0.00 C ATOM 429 O PHE A 31 4.057 7.807 3.685 1.00 0.00 O ATOM 430 CB PHE A 31 2.215 6.910 1.242 1.00 0.00 C ATOM 431 CG PHE A 31 1.573 6.943 -0.147 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.332 7.222 -1.240 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.244 6.693 -0.288 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.737 7.252 -2.529 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.352 6.723 -1.576 1.00 0.00 C ATOM 436 CZ PHE A 31 0.407 7.002 -2.670 1.00 0.00 C ATOM 0 H PHE A 31 4.625 7.562 0.919 1.00 0.00 H new ATOM 0 HA PHE A 31 2.139 9.085 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.006 6.160 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.468 6.592 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.388 7.421 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.359 6.471 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.340 7.473 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.408 6.524 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.046 7.025 -3.650 1.00 0.00 H new ATOM 446 N PHE A 32 1.984 8.681 3.914 1.00 0.00 N ATOM 447 CA PHE A 32 2.038 8.716 5.366 1.00 0.00 C ATOM 448 C PHE A 32 0.815 8.030 5.977 1.00 0.00 C ATOM 449 O PHE A 32 -0.267 8.614 6.029 1.00 0.00 O ATOM 450 CB PHE A 32 2.042 10.189 5.778 1.00 0.00 C ATOM 451 CG PHE A 32 3.427 10.838 5.755 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.992 11.194 4.569 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.094 11.060 6.919 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.277 11.797 4.548 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.380 11.662 6.897 1.00 0.00 C ATOM 456 CZ PHE A 32 5.944 12.018 5.712 1.00 0.00 C ATOM 0 H PHE A 32 1.114 9.028 3.511 1.00 0.00 H new ATOM 0 HA PHE A 32 2.927 8.193 5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.381 10.744 5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.628 10.276 6.783 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.463 11.018 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.646 10.778 7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.725 12.080 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.910 11.837 7.822 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.922 12.476 5.695 1.00 0.00 H new ATOM 466 N LEU A 33 1.027 6.802 6.425 1.00 0.00 N ATOM 467 CA LEU A 33 -0.046 6.031 7.031 1.00 0.00 C ATOM 468 C LEU A 33 0.475 5.346 8.296 1.00 0.00 C ATOM 469 O LEU A 33 1.684 5.274 8.514 1.00 0.00 O ATOM 470 CB LEU A 33 -0.651 5.062 6.012 1.00 0.00 C ATOM 471 CG LEU A 33 0.298 4.002 5.449 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.503 4.652 4.766 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.721 3.011 6.536 1.00 0.00 C ATOM 0 H LEU A 33 1.926 6.321 6.381 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.861 6.687 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.495 4.554 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.050 5.643 5.180 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.237 3.435 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.162 3.877 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.160 5.284 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.047 5.259 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.395 2.268 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.231 3.546 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.161 2.512 6.937 1.00 0.00 H new ATOM 485 N ALA A 34 -0.462 4.861 9.097 1.00 0.00 N ATOM 486 CA ALA A 34 -0.112 4.185 10.335 1.00 0.00 C ATOM 487 C ALA A 34 1.059 3.235 10.078 1.00 0.00 C ATOM 488 O ALA A 34 1.113 2.577 9.040 1.00 0.00 O ATOM 489 CB ALA A 34 -1.342 3.461 10.886 1.00 0.00 C ATOM 0 H ALA A 34 -1.463 4.923 8.913 1.00 0.00 H new ATOM 0 HA ALA A 34 0.207 4.904 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.080 2.954 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.134 4.185 11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.689 2.728 10.158 1.00 0.00 H new ATOM 495 N GLU A 35 1.967 3.192 11.042 1.00 0.00 N ATOM 496 CA GLU A 35 3.134 2.333 10.933 1.00 0.00 C ATOM 497 C GLU A 35 2.754 0.881 11.231 1.00 0.00 C ATOM 498 O GLU A 35 3.538 -0.033 10.983 1.00 0.00 O ATOM 499 CB GLU A 35 4.253 2.808 11.862 1.00 0.00 C ATOM 500 CG GLU A 35 3.819 2.735 13.327 1.00 0.00 C ATOM 501 CD GLU A 35 5.032 2.701 14.258 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.707 1.649 14.273 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.258 3.728 14.934 1.00 0.00 O ATOM 0 H GLU A 35 1.918 3.738 11.902 1.00 0.00 H new ATOM 0 HA GLU A 35 3.507 2.388 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.141 2.194 11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.528 3.833 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.195 3.596 13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.210 1.845 13.485 1.00 0.00 H new ATOM 510 N ASN A 36 1.550 0.715 11.759 1.00 0.00 N ATOM 511 CA ASN A 36 1.056 -0.610 12.094 1.00 0.00 C ATOM 512 C ASN A 36 -0.091 -0.975 11.149 1.00 0.00 C ATOM 513 O ASN A 36 -0.664 -2.059 11.253 1.00 0.00 O ATOM 514 CB ASN A 36 0.520 -0.652 13.526 1.00 0.00 C ATOM 515 CG ASN A 36 1.510 -0.012 14.501 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.708 -0.238 14.448 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.945 0.798 15.391 1.00 0.00 N ATOM 0 H ASN A 36 0.902 1.476 11.963 1.00 0.00 H new ATOM 0 HA ASN A 36 1.883 -1.313 11.998 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.435 -0.129 13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.333 -1.685 13.818 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.521 1.274 16.085 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.065 0.943 15.380 1.00 0.00 H new ATOM 524 N SER A 37 -0.391 -0.051 10.248 1.00 0.00 N ATOM 525 CA SER A 37 -1.459 -0.263 9.286 1.00 0.00 C ATOM 526 C SER A 37 -1.124 -1.453 8.386 1.00 0.00 C ATOM 527 O SER A 37 -0.200 -1.384 7.577 1.00 0.00 O ATOM 528 CB SER A 37 -1.695 0.991 8.442 1.00 0.00 C ATOM 529 OG SER A 37 -2.984 1.555 8.672 1.00 0.00 O ATOM 0 H SER A 37 0.087 0.846 10.164 1.00 0.00 H new ATOM 0 HA SER A 37 -2.376 -0.478 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.929 1.732 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.591 0.742 7.386 1.00 0.00 H new ATOM 0 HG SER A 37 -3.095 2.354 8.116 1.00 0.00 H new ATOM 535 N ASN A 38 -1.893 -2.518 8.557 1.00 0.00 N ATOM 536 CA ASN A 38 -1.689 -3.723 7.770 1.00 0.00 C ATOM 537 C ASN A 38 -1.343 -3.334 6.331 1.00 0.00 C ATOM 538 O ASN A 38 -1.704 -2.251 5.873 1.00 0.00 O ATOM 539 CB ASN A 38 -2.956 -4.580 7.736 1.00 0.00 C ATOM 540 CG ASN A 38 -4.207 -3.705 7.627 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.427 -2.792 8.405 1.00 0.00 O ATOM 542 ND2 ASN A 38 -5.011 -4.035 6.620 1.00 0.00 N ATOM 0 H ASN A 38 -2.659 -2.572 9.229 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.881 -4.293 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.913 -5.266 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.012 -5.189 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.872 -3.512 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.766 -4.812 6.006 1.00 0.00 H new ATOM 549 N VAL A 39 -0.647 -4.239 5.658 1.00 0.00 N ATOM 550 CA VAL A 39 -0.248 -4.005 4.281 1.00 0.00 C ATOM 551 C VAL A 39 -1.481 -3.633 3.454 1.00 0.00 C ATOM 552 O VAL A 39 -1.481 -2.620 2.756 1.00 0.00 O ATOM 553 CB VAL A 39 0.491 -5.228 3.735 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.457 -5.251 2.205 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.930 -5.275 4.252 1.00 0.00 C ATOM 0 H VAL A 39 -0.349 -5.136 6.041 1.00 0.00 H new ATOM 0 HA VAL A 39 0.448 -3.168 4.222 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.024 -6.119 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.989 -6.130 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.578 -5.287 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.935 -4.352 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.433 -6.154 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.460 -4.377 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.924 -5.328 5.341 1.00 0.00 H new ATOM 565 N ARG A 40 -2.501 -4.471 3.560 1.00 0.00 N ATOM 566 CA ARG A 40 -3.736 -4.243 2.831 1.00 0.00 C ATOM 567 C ARG A 40 -4.079 -2.752 2.821 1.00 0.00 C ATOM 568 O ARG A 40 -4.206 -2.148 1.758 1.00 0.00 O ATOM 569 CB ARG A 40 -4.896 -5.022 3.455 1.00 0.00 C ATOM 570 CG ARG A 40 -5.678 -5.790 2.388 1.00 0.00 C ATOM 571 CD ARG A 40 -6.597 -6.834 3.026 1.00 0.00 C ATOM 572 NE ARG A 40 -8.005 -6.559 2.662 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.061 -7.031 3.339 1.00 0.00 C ATOM 574 NH1 ARG A 40 -8.875 -7.803 4.418 1.00 0.00 N ATOM 575 NH2 ARG A 40 -10.303 -6.730 2.936 1.00 0.00 N ATOM 0 H ARG A 40 -2.497 -5.310 4.140 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.587 -4.592 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.512 -5.718 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.563 -4.334 3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.270 -5.094 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.984 -6.280 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.315 -7.832 2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.483 -6.817 4.110 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.183 -5.974 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.929 -8.032 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.679 -8.162 4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.444 -6.142 2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.107 -7.089 3.451 1.00 0.00 H new ATOM 589 N ARG A 41 -4.221 -2.202 4.018 1.00 0.00 N ATOM 590 CA ARG A 41 -4.547 -0.793 4.161 1.00 0.00 C ATOM 591 C ARG A 41 -3.593 0.059 3.322 1.00 0.00 C ATOM 592 O ARG A 41 -4.032 0.865 2.503 1.00 0.00 O ATOM 593 CB ARG A 41 -4.461 -0.353 5.624 1.00 0.00 C ATOM 594 CG ARG A 41 -5.733 -0.730 6.385 1.00 0.00 C ATOM 595 CD ARG A 41 -6.131 0.373 7.368 1.00 0.00 C ATOM 596 NE ARG A 41 -7.437 0.053 7.987 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.614 0.170 7.358 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.657 0.599 6.089 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.749 -0.143 7.998 1.00 0.00 N ATOM 0 H ARG A 41 -4.116 -2.707 4.898 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.570 -0.652 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.598 -0.820 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.308 0.725 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.545 -0.904 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.575 -1.664 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.369 0.476 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.190 1.330 6.849 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.441 -0.277 8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.793 0.837 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.554 0.688 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.716 -0.470 8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.645 -0.054 7.520 1.00 0.00 H new ATOM 613 N PHE A 42 -2.305 -0.147 3.555 1.00 0.00 N ATOM 614 CA PHE A 42 -1.285 0.593 2.831 1.00 0.00 C ATOM 615 C PHE A 42 -1.534 0.536 1.323 1.00 0.00 C ATOM 616 O PHE A 42 -1.242 1.492 0.605 1.00 0.00 O ATOM 617 CB PHE A 42 0.056 -0.074 3.141 1.00 0.00 C ATOM 618 CG PHE A 42 1.268 0.676 2.584 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.137 1.965 2.169 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.475 0.056 2.505 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.262 2.662 1.653 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.600 0.752 1.989 1.00 0.00 C ATOM 623 CZ PHE A 42 3.469 2.041 1.573 1.00 0.00 C ATOM 0 H PHE A 42 -1.944 -0.816 4.235 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.298 1.640 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.163 -0.165 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.049 -1.085 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.178 2.458 2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.579 -0.967 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.159 3.686 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.559 0.259 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.324 2.571 1.179 1.00 0.00 H new ATOM 633 N LYS A 43 -2.070 -0.594 0.886 1.00 0.00 N ATOM 634 CA LYS A 43 -2.361 -0.788 -0.525 1.00 0.00 C ATOM 635 C LYS A 43 -3.569 0.068 -0.914 1.00 0.00 C ATOM 636 O LYS A 43 -3.561 0.719 -1.957 1.00 0.00 O ATOM 637 CB LYS A 43 -2.536 -2.275 -0.836 1.00 0.00 C ATOM 638 CG LYS A 43 -1.212 -3.027 -0.680 1.00 0.00 C ATOM 639 CD LYS A 43 -1.450 -4.531 -0.529 1.00 0.00 C ATOM 640 CE LYS A 43 -0.633 -5.321 -1.553 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.444 -6.415 -2.131 1.00 0.00 N ATOM 0 H LYS A 43 -2.310 -1.385 1.484 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.523 -0.455 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.283 -2.704 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.910 -2.396 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.579 -2.841 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.676 -2.651 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.179 -4.846 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.510 -4.750 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.292 -4.656 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.257 -5.733 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.859 -7.270 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.253 -6.613 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.790 -6.132 -3.070 1.00 0.00 H new ATOM 655 N LYS A 44 -4.577 0.038 -0.055 1.00 0.00 N ATOM 656 CA LYS A 44 -5.788 0.802 -0.296 1.00 0.00 C ATOM 657 C LYS A 44 -5.418 2.257 -0.592 1.00 0.00 C ATOM 658 O LYS A 44 -5.876 2.829 -1.580 1.00 0.00 O ATOM 659 CB LYS A 44 -6.764 0.642 0.872 1.00 0.00 C ATOM 660 CG LYS A 44 -7.474 -0.712 0.811 1.00 0.00 C ATOM 661 CD LYS A 44 -7.654 -1.300 2.212 1.00 0.00 C ATOM 662 CE LYS A 44 -9.062 -1.872 2.390 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.680 -1.350 3.629 1.00 0.00 N ATOM 0 H LYS A 44 -4.579 -0.504 0.809 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.310 0.420 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.226 0.732 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.501 1.445 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.447 -0.595 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.897 -1.402 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.915 -2.084 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.474 -0.528 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.679 -1.610 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.017 -2.960 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.635 -1.748 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.099 -1.622 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.741 -0.313 3.576 1.00 0.00 H new ATOM 677 N GLN A 45 -4.592 2.814 0.281 1.00 0.00 N ATOM 678 CA GLN A 45 -4.155 4.191 0.126 1.00 0.00 C ATOM 679 C GLN A 45 -3.649 4.429 -1.298 1.00 0.00 C ATOM 680 O GLN A 45 -3.969 5.445 -1.913 1.00 0.00 O ATOM 681 CB GLN A 45 -3.081 4.545 1.156 1.00 0.00 C ATOM 682 CG GLN A 45 -3.466 5.801 1.940 1.00 0.00 C ATOM 683 CD GLN A 45 -2.356 6.853 1.870 1.00 0.00 C ATOM 684 OE1 GLN A 45 -1.329 6.609 2.679 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -2.428 7.820 1.130 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.213 2.336 1.099 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.009 4.845 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.943 3.711 1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.128 4.704 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.391 6.216 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.659 5.540 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.246 7.946 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.670 8.502 1.107 1.00 0.00 H new ATOM 694 N ILE A 46 -2.866 3.475 -1.782 1.00 0.00 N ATOM 695 CA ILE A 46 -2.313 3.568 -3.122 1.00 0.00 C ATOM 696 C ILE A 46 -3.451 3.532 -4.143 1.00 0.00 C ATOM 697 O ILE A 46 -3.567 4.425 -4.981 1.00 0.00 O ATOM 698 CB ILE A 46 -1.255 2.485 -3.341 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.140 2.588 -2.298 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.710 2.532 -4.770 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.449 1.210 -1.987 1.00 0.00 C ATOM 0 H ILE A 46 -2.602 2.634 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.796 4.518 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.729 1.513 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.646 3.249 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.532 3.035 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.040 1.752 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.525 2.372 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.256 3.506 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.239 1.312 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.334 0.559 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.862 0.777 -2.898 1.00 0.00 H new ATOM 713 N SER A 47 -4.264 2.491 -4.039 1.00 0.00 N ATOM 714 CA SER A 47 -5.389 2.326 -4.943 1.00 0.00 C ATOM 715 C SER A 47 -6.159 3.643 -5.065 1.00 0.00 C ATOM 716 O SER A 47 -6.689 3.960 -6.129 1.00 0.00 O ATOM 717 CB SER A 47 -6.320 1.209 -4.467 1.00 0.00 C ATOM 718 OG SER A 47 -7.399 1.711 -3.683 1.00 0.00 O ATOM 0 H SER A 47 -4.166 1.753 -3.342 1.00 0.00 H new ATOM 0 HA SER A 47 -5.002 2.046 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.717 0.675 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.751 0.488 -3.881 1.00 0.00 H new ATOM 0 HG SER A 47 -7.046 2.134 -2.873 1.00 0.00 H new ATOM 724 N LYS A 48 -6.197 4.374 -3.960 1.00 0.00 N ATOM 725 CA LYS A 48 -6.893 5.648 -3.930 1.00 0.00 C ATOM 726 C LYS A 48 -6.206 6.623 -4.888 1.00 0.00 C ATOM 727 O LYS A 48 -6.772 6.992 -5.916 1.00 0.00 O ATOM 728 CB LYS A 48 -6.998 6.168 -2.495 1.00 0.00 C ATOM 729 CG LYS A 48 -7.839 5.226 -1.630 1.00 0.00 C ATOM 730 CD LYS A 48 -9.094 5.931 -1.112 1.00 0.00 C ATOM 731 CE LYS A 48 -10.090 4.924 -0.535 1.00 0.00 C ATOM 732 NZ LYS A 48 -10.553 5.360 0.801 1.00 0.00 N ATOM 0 H LYS A 48 -5.757 4.108 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.919 5.529 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.001 6.267 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.445 7.162 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.124 4.349 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.244 4.870 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.818 6.655 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.563 6.488 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.943 4.822 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.622 3.942 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.229 4.665 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.738 5.435 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.018 6.287 0.722 1.00 0.00 H new ATOM 746 N TYR A 49 -4.995 7.012 -4.517 1.00 0.00 N ATOM 747 CA TYR A 49 -4.224 7.937 -5.331 1.00 0.00 C ATOM 748 C TYR A 49 -3.970 7.360 -6.725 1.00 0.00 C ATOM 749 O TYR A 49 -4.487 7.872 -7.717 1.00 0.00 O ATOM 750 CB TYR A 49 -2.885 8.115 -4.614 1.00 0.00 C ATOM 751 CG TYR A 49 -1.908 9.041 -5.340 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.213 10.377 -5.500 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.721 8.540 -5.835 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.293 11.249 -6.184 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.199 9.412 -6.519 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.133 10.724 -6.660 1.00 0.00 C ATOM 757 OH TYR A 49 0.736 11.547 -7.306 1.00 0.00 O ATOM 0 H TYR A 49 -4.529 6.704 -3.664 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.760 8.878 -5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.069 8.510 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.419 7.138 -4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.142 10.769 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.482 7.494 -5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.520 12.297 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.131 9.033 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 49 1.522 11.035 -7.590 1.00 0.00 H new ATOM 767 N LEU A 50 -3.174 6.302 -6.756 1.00 0.00 N ATOM 768 CA LEU A 50 -2.845 5.650 -8.013 1.00 0.00 C ATOM 769 C LEU A 50 -4.115 5.496 -8.851 1.00 0.00 C ATOM 770 O LEU A 50 -4.052 5.448 -10.078 1.00 0.00 O ATOM 771 CB LEU A 50 -2.114 4.330 -7.756 1.00 0.00 C ATOM 772 CG LEU A 50 -0.586 4.404 -7.732 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.088 5.050 -6.437 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.033 3.023 -7.958 1.00 0.00 C ATOM 0 H LEU A 50 -2.747 5.880 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.154 6.264 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.454 3.929 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.412 3.617 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.262 5.041 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.001 5.090 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.488 6.061 -6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.422 4.460 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.120 3.103 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.296 2.344 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.283 2.637 -8.927 1.00 0.00 H new ATOM 786 N HIS A 51 -5.240 5.422 -8.154 1.00 0.00 N ATOM 787 CA HIS A 51 -6.524 5.275 -8.819 1.00 0.00 C ATOM 788 C HIS A 51 -6.577 3.926 -9.539 1.00 0.00 C ATOM 789 O HIS A 51 -6.914 3.862 -10.720 1.00 0.00 O ATOM 790 CB HIS A 51 -6.791 6.457 -9.753 1.00 0.00 C ATOM 791 CG HIS A 51 -7.122 7.744 -9.036 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.487 8.951 -9.031 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -8.222 7.878 -8.207 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.163 9.778 -8.244 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -8.239 9.115 -7.731 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.289 5.461 -7.136 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.324 5.284 -8.079 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.913 6.617 -10.379 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.615 6.202 -10.419 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.944 7.106 -7.986 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.904 10.807 -8.043 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.934 9.503 -7.093 1.00 0.00 H new ATOM 803 N CYS A 52 -6.238 2.882 -8.797 1.00 0.00 N ATOM 804 CA CYS A 52 -6.243 1.538 -9.350 1.00 0.00 C ATOM 805 C CYS A 52 -6.977 0.619 -8.372 1.00 0.00 C ATOM 806 O CYS A 52 -7.592 1.088 -7.415 1.00 0.00 O ATOM 807 CB CYS A 52 -4.826 1.043 -9.645 1.00 0.00 C ATOM 808 SG CYS A 52 -3.908 0.804 -8.080 1.00 0.00 S ATOM 0 H CYS A 52 -5.958 2.939 -7.818 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.764 1.538 -10.307 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.868 0.105 -10.199 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.304 1.763 -10.276 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.856 1.568 -8.073 1.00 0.00 H new ATOM 814 N ASN A 53 -6.889 -0.675 -8.646 1.00 0.00 N ATOM 815 CA ASN A 53 -7.537 -1.664 -7.802 1.00 0.00 C ATOM 816 C ASN A 53 -6.504 -2.271 -6.849 1.00 0.00 C ATOM 817 O ASN A 53 -5.395 -2.604 -7.262 1.00 0.00 O ATOM 818 CB ASN A 53 -8.131 -2.798 -8.639 1.00 0.00 C ATOM 819 CG ASN A 53 -9.651 -2.862 -8.476 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.198 -2.619 -7.413 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.300 -3.202 -9.586 1.00 0.00 N ATOM 0 H ASN A 53 -6.379 -1.061 -9.441 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.335 -1.166 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.880 -2.649 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.689 -3.748 -8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.318 -3.272 -9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.780 -3.392 -10.443 1.00 0.00 H new ATOM 828 N ALA A 54 -6.907 -2.395 -5.593 1.00 0.00 N ATOM 829 CA ALA A 54 -6.030 -2.956 -4.579 1.00 0.00 C ATOM 830 C ALA A 54 -5.812 -4.443 -4.864 1.00 0.00 C ATOM 831 O ALA A 54 -4.881 -5.050 -4.337 1.00 0.00 O ATOM 832 CB ALA A 54 -6.630 -2.710 -3.193 1.00 0.00 C ATOM 0 H ALA A 54 -7.828 -2.117 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.055 -2.470 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.973 -3.131 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.737 -1.638 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.609 -3.186 -3.130 1.00 0.00 H new ATOM 838 N ASP A 55 -6.686 -4.987 -5.698 1.00 0.00 N ATOM 839 CA ASP A 55 -6.601 -6.391 -6.060 1.00 0.00 C ATOM 840 C ASP A 55 -5.436 -6.594 -7.030 1.00 0.00 C ATOM 841 O ASP A 55 -4.987 -7.720 -7.242 1.00 0.00 O ATOM 842 CB ASP A 55 -7.881 -6.860 -6.755 1.00 0.00 C ATOM 843 CG ASP A 55 -7.988 -8.372 -6.964 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.048 -8.928 -7.572 1.00 0.00 O ATOM 845 OD2 ASP A 55 -9.006 -8.937 -6.511 1.00 0.00 O ATOM 0 H ASP A 55 -7.457 -4.480 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.456 -6.966 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.737 -6.528 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.950 -6.369 -7.726 1.00 0.00 H new ATOM 850 N ARG A 56 -4.978 -5.486 -7.595 1.00 0.00 N ATOM 851 CA ARG A 56 -3.873 -5.528 -8.538 1.00 0.00 C ATOM 852 C ARG A 56 -2.637 -4.856 -7.936 1.00 0.00 C ATOM 853 O ARG A 56 -1.612 -4.722 -8.604 1.00 0.00 O ATOM 854 CB ARG A 56 -4.240 -4.826 -9.847 1.00 0.00 C ATOM 855 CG ARG A 56 -5.624 -5.261 -10.333 1.00 0.00 C ATOM 856 CD ARG A 56 -5.586 -6.685 -10.892 1.00 0.00 C ATOM 857 NE ARG A 56 -6.447 -6.782 -12.091 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.404 -7.794 -12.968 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.541 -8.802 -12.785 1.00 0.00 N ATOM 860 NH2 ARG A 56 -7.223 -7.798 -14.029 1.00 0.00 N ATOM 0 H ARG A 56 -5.352 -4.554 -7.418 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.656 -6.575 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.225 -3.746 -9.701 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.495 -5.056 -10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.336 -5.209 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.976 -4.574 -11.102 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.562 -6.957 -11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.924 -7.391 -10.134 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.116 -6.031 -12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.917 -8.799 -11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.508 -9.573 -13.452 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.880 -7.030 -14.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.190 -8.569 -14.696 1.00 0.00 H new ATOM 874 N LEU A 57 -2.773 -4.453 -6.682 1.00 0.00 N ATOM 875 CA LEU A 57 -1.680 -3.798 -5.983 1.00 0.00 C ATOM 876 C LEU A 57 -0.918 -4.835 -5.155 1.00 0.00 C ATOM 877 O LEU A 57 -1.525 -5.698 -4.524 1.00 0.00 O ATOM 878 CB LEU A 57 -2.199 -2.616 -5.163 1.00 0.00 C ATOM 879 CG LEU A 57 -2.672 -1.401 -5.963 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.334 -0.367 -5.050 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.524 -0.798 -6.775 1.00 0.00 C ATOM 0 H LEU A 57 -3.624 -4.567 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.972 -3.374 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.027 -2.964 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.408 -2.294 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.428 -1.734 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.661 0.486 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.195 -0.816 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.618 -0.033 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.887 0.064 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.727 -0.484 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.138 -1.544 -7.469 1.00 0.00 H new ATOM 893 N VAL A 58 0.402 -4.714 -5.183 1.00 0.00 N ATOM 894 CA VAL A 58 1.253 -5.629 -4.443 1.00 0.00 C ATOM 895 C VAL A 58 2.258 -4.827 -3.615 1.00 0.00 C ATOM 896 O VAL A 58 2.784 -3.816 -4.079 1.00 0.00 O ATOM 897 CB VAL A 58 1.921 -6.615 -5.403 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.566 -7.773 -4.638 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.923 -7.132 -6.441 1.00 0.00 C ATOM 0 H VAL A 58 0.902 -3.996 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 58 0.660 -6.224 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 58 2.710 -6.083 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.034 -8.459 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.322 -7.383 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.803 -8.303 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.424 -7.831 -7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.102 -7.640 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.531 -6.294 -7.018 1.00 0.00 H new ATOM 909 N LEU A 59 2.496 -5.307 -2.403 1.00 0.00 N ATOM 910 CA LEU A 59 3.429 -4.646 -1.506 1.00 0.00 C ATOM 911 C LEU A 59 4.789 -5.343 -1.588 1.00 0.00 C ATOM 912 O LEU A 59 4.872 -6.564 -1.471 1.00 0.00 O ATOM 913 CB LEU A 59 2.856 -4.583 -0.089 1.00 0.00 C ATOM 914 CG LEU A 59 2.703 -3.183 0.511 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.047 -2.655 1.018 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.052 -2.226 -0.489 1.00 0.00 C ATOM 0 H LEU A 59 2.059 -6.146 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 59 3.581 -3.611 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.878 -5.064 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.498 -5.170 0.568 1.00 0.00 H new ATOM 0 HG LEU A 59 2.037 -3.251 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.911 -1.659 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.434 -3.324 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.754 -2.605 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.955 -1.239 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.672 -2.157 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.065 -2.599 -0.760 1.00 0.00 H new ATOM 928 N ILE A 60 5.820 -4.536 -1.790 1.00 0.00 N ATOM 929 CA ILE A 60 7.171 -5.059 -1.890 1.00 0.00 C ATOM 930 C ILE A 60 8.125 -4.148 -1.115 1.00 0.00 C ATOM 931 O ILE A 60 8.430 -3.042 -1.558 1.00 0.00 O ATOM 932 CB ILE A 60 7.563 -5.255 -3.356 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.583 -6.192 -4.065 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.009 -5.741 -3.477 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.608 -5.403 -4.942 1.00 0.00 C ATOM 0 H ILE A 60 5.746 -3.523 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 60 7.231 -6.047 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 60 7.505 -4.289 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.135 -6.905 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.028 -6.770 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.262 -5.872 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.679 -5.005 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.118 -6.692 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.922 -6.092 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.041 -4.709 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.165 -4.845 -5.695 1.00 0.00 H new ATOM 947 N PHE A 61 8.570 -4.647 0.029 1.00 0.00 N ATOM 948 CA PHE A 61 9.483 -3.891 0.870 1.00 0.00 C ATOM 949 C PHE A 61 10.871 -4.535 0.888 1.00 0.00 C ATOM 950 O PHE A 61 11.055 -5.606 1.464 1.00 0.00 O ATOM 951 CB PHE A 61 8.906 -3.910 2.287 1.00 0.00 C ATOM 952 CG PHE A 61 9.911 -3.522 3.373 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.202 -2.212 3.594 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.514 -4.487 4.118 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.134 -1.852 4.603 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.447 -4.127 5.126 1.00 0.00 C ATOM 957 CZ PHE A 61 11.737 -2.817 5.347 1.00 0.00 C ATOM 0 H PHE A 61 8.315 -5.565 0.393 1.00 0.00 H new ATOM 0 HA PHE A 61 9.588 -2.876 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.057 -3.228 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.524 -4.909 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.724 -1.445 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.283 -5.527 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.364 -0.812 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.926 -4.893 5.717 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.447 -2.543 6.114 1.00 0.00 H new ATOM 967 N THR A 62 11.813 -3.854 0.251 1.00 0.00 N ATOM 968 CA THR A 62 13.178 -4.346 0.187 1.00 0.00 C ATOM 969 C THR A 62 13.338 -5.326 -0.977 1.00 0.00 C ATOM 970 O THR A 62 14.403 -5.400 -1.589 1.00 0.00 O ATOM 971 CB THR A 62 13.526 -4.955 1.547 1.00 0.00 C ATOM 972 OG1 THR A 62 14.871 -4.547 1.777 1.00 0.00 O ATOM 973 CG2 THR A 62 13.602 -6.482 1.502 1.00 0.00 C ATOM 0 H THR A 62 11.657 -2.966 -0.225 1.00 0.00 H new ATOM 0 HA THR A 62 13.881 -3.537 -0.012 1.00 0.00 H new ATOM 0 HB THR A 62 12.781 -4.650 2.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.176 -4.898 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.852 -6.863 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.638 -6.885 1.190 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.370 -6.787 0.791 1.00 0.00 H new ATOM 981 N GLY A 63 12.265 -6.054 -1.247 1.00 0.00 N ATOM 982 CA GLY A 63 12.273 -7.026 -2.327 1.00 0.00 C ATOM 983 C GLY A 63 11.329 -8.191 -2.022 1.00 0.00 C ATOM 984 O GLY A 63 10.930 -8.924 -2.926 1.00 0.00 O ATOM 0 H GLY A 63 11.384 -5.990 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.973 -6.544 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.285 -7.402 -2.475 1.00 0.00 H new ATOM 988 N LYS A 64 10.999 -8.326 -0.746 1.00 0.00 N ATOM 989 CA LYS A 64 10.109 -9.389 -0.311 1.00 0.00 C ATOM 990 C LYS A 64 8.659 -8.913 -0.423 1.00 0.00 C ATOM 991 O LYS A 64 8.263 -7.956 0.239 1.00 0.00 O ATOM 992 CB LYS A 64 10.492 -9.868 1.091 1.00 0.00 C ATOM 993 CG LYS A 64 11.531 -10.989 1.023 1.00 0.00 C ATOM 994 CD LYS A 64 10.857 -12.362 1.014 1.00 0.00 C ATOM 995 CE LYS A 64 10.273 -12.695 2.389 1.00 0.00 C ATOM 996 NZ LYS A 64 9.994 -14.144 2.496 1.00 0.00 N ATOM 0 H LYS A 64 11.332 -7.717 0.001 1.00 0.00 H new ATOM 0 HA LYS A 64 10.210 -10.259 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.890 -9.033 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.603 -10.222 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.139 -10.872 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.205 -10.917 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.065 -12.378 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.581 -13.125 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.972 -12.394 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.355 -12.129 2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.598 -14.353 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.311 -14.421 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.877 -14.678 2.366 1.00 0.00 H new ATOM 1010 N ILE A 65 7.907 -9.604 -1.268 1.00 0.00 N ATOM 1011 CA ILE A 65 6.510 -9.264 -1.476 1.00 0.00 C ATOM 1012 C ILE A 65 5.714 -9.603 -0.214 1.00 0.00 C ATOM 1013 O ILE A 65 5.802 -10.718 0.299 1.00 0.00 O ATOM 1014 CB ILE A 65 5.977 -9.940 -2.740 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.699 -9.421 -3.986 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.459 -9.780 -2.849 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.464 -10.547 -4.685 1.00 0.00 C ATOM 0 H ILE A 65 8.239 -10.397 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 65 6.399 -8.193 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 65 6.184 -11.008 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.975 -8.986 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.390 -8.626 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.106 -10.270 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.982 -10.236 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.207 -8.720 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.968 -10.152 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.203 -10.964 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.766 -11.329 -4.986 1.00 0.00 H new ATOM 1029 N LEU A 66 4.955 -8.622 0.250 1.00 0.00 N ATOM 1030 CA LEU A 66 4.143 -8.803 1.442 1.00 0.00 C ATOM 1031 C LEU A 66 2.852 -9.533 1.068 1.00 0.00 C ATOM 1032 O LEU A 66 2.835 -10.332 0.133 1.00 0.00 O ATOM 1033 CB LEU A 66 3.911 -7.461 2.140 1.00 0.00 C ATOM 1034 CG LEU A 66 5.138 -6.558 2.284 1.00 0.00 C ATOM 1035 CD1 LEU A 66 4.741 -5.171 2.791 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.199 -7.212 3.172 1.00 0.00 C ATOM 0 H LEU A 66 4.885 -7.699 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 66 4.664 -9.428 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.146 -6.915 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.509 -7.656 3.134 1.00 0.00 H new ATOM 0 HG LEU A 66 5.582 -6.425 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.631 -4.549 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.049 -4.710 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.259 -5.264 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.060 -6.550 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.782 -7.395 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.511 -8.158 2.729 1.00 0.00 H new ATOM 1048 N ARG A 67 1.802 -9.233 1.819 1.00 0.00 N ATOM 1049 CA ARG A 67 0.509 -9.852 1.578 1.00 0.00 C ATOM 1050 C ARG A 67 -0.610 -8.821 1.737 1.00 0.00 C ATOM 1051 O ARG A 67 -0.956 -8.124 0.784 1.00 0.00 O ATOM 1052 CB ARG A 67 0.265 -11.012 2.545 1.00 0.00 C ATOM 1053 CG ARG A 67 0.994 -12.275 2.082 1.00 0.00 C ATOM 1054 CD ARG A 67 0.124 -13.089 1.122 1.00 0.00 C ATOM 1055 NE ARG A 67 0.329 -14.536 1.358 1.00 0.00 N ATOM 1056 CZ ARG A 67 -0.329 -15.504 0.705 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -1.237 -15.185 -0.227 1.00 0.00 N ATOM 1058 NH2 ARG A 67 -0.079 -16.790 0.984 1.00 0.00 N ATOM 0 H ARG A 67 1.820 -8.570 2.594 1.00 0.00 H new ATOM 0 HA ARG A 67 0.511 -10.238 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.606 -10.736 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.804 -11.211 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.927 -12.001 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.257 -12.885 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.926 -12.834 1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.375 -12.841 0.091 1.00 0.00 H new ATOM 0 HE ARG A 67 1.014 -14.814 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.427 -14.206 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.738 -15.921 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.612 -17.033 1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.580 -17.526 0.487 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.145 -8.757 2.947 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.218 -7.823 3.242 1.00 0.00 C ATOM 1074 C ASP A 68 -2.511 -7.847 4.744 1.00 0.00 C ATOM 1075 O ASP A 68 -2.708 -6.800 5.359 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.502 -8.207 2.504 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.676 -9.705 2.247 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -2.961 -10.215 1.357 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.520 -10.307 2.945 1.00 0.00 O ATOM 0 H ASP A 68 -0.855 -9.337 3.735 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.900 -6.832 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.355 -7.851 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.524 -7.685 1.548 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.530 -9.054 5.291 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.795 -9.228 6.709 1.00 0.00 C ATOM 1086 C GLN A 69 -1.505 -9.062 7.515 1.00 0.00 C ATOM 1087 O GLN A 69 -1.475 -9.350 8.711 1.00 0.00 O ATOM 1088 CB GLN A 69 -3.442 -10.588 6.983 1.00 0.00 C ATOM 1089 CG GLN A 69 -2.449 -11.726 6.737 1.00 0.00 C ATOM 1090 CD GLN A 69 -3.000 -13.056 7.255 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -3.612 -13.136 8.308 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -2.751 -14.092 6.460 1.00 0.00 N ATOM 0 H GLN A 69 -2.366 -9.920 4.778 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.499 -8.457 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.796 -10.626 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.314 -10.716 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.239 -11.806 5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.504 -11.502 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.233 -13.956 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.078 -15.023 6.718 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.472 -8.600 6.828 1.00 0.00 N ATOM 1102 CA ASP A 70 0.818 -8.392 7.464 1.00 0.00 C ATOM 1103 C ASP A 70 0.966 -6.915 7.837 1.00 0.00 C ATOM 1104 O ASP A 70 0.537 -6.037 7.090 1.00 0.00 O ATOM 1105 CB ASP A 70 1.964 -8.759 6.520 1.00 0.00 C ATOM 1106 CG ASP A 70 1.758 -10.048 5.722 1.00 0.00 C ATOM 1107 OD1 ASP A 70 0.850 -10.815 6.109 1.00 0.00 O ATOM 1108 OD2 ASP A 70 2.512 -10.237 4.744 1.00 0.00 O ATOM 0 H ASP A 70 -0.501 -8.363 5.836 1.00 0.00 H new ATOM 0 HA ASP A 70 0.863 -9.027 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.116 -7.937 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.879 -8.854 7.104 1.00 0.00 H new ATOM 1113 N ILE A 71 1.574 -6.687 8.991 1.00 0.00 N ATOM 1114 CA ILE A 71 1.784 -5.332 9.472 1.00 0.00 C ATOM 1115 C ILE A 71 3.132 -4.818 8.961 1.00 0.00 C ATOM 1116 O ILE A 71 4.115 -5.557 8.940 1.00 0.00 O ATOM 1117 CB ILE A 71 1.641 -5.275 10.994 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.185 -5.481 11.416 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.220 -3.973 11.551 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.380 -6.774 10.823 1.00 0.00 C ATOM 0 H ILE A 71 1.928 -7.418 9.608 1.00 0.00 H new ATOM 0 HA ILE A 71 1.017 -4.665 9.078 1.00 0.00 H new ATOM 0 HB ILE A 71 2.219 -6.094 11.422 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.119 -5.516 12.503 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.416 -4.633 11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.105 -3.958 12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.278 -3.907 11.297 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.690 -3.125 11.119 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.416 -6.897 11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.335 -6.725 9.735 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.208 -7.622 11.173 1.00 0.00 H new ATOM 1132 N LEU A 72 3.134 -3.554 8.562 1.00 0.00 N ATOM 1133 CA LEU A 72 4.345 -2.932 8.053 1.00 0.00 C ATOM 1134 C LEU A 72 5.481 -3.142 9.057 1.00 0.00 C ATOM 1135 O LEU A 72 6.408 -3.908 8.799 1.00 0.00 O ATOM 1136 CB LEU A 72 4.090 -1.463 7.711 1.00 0.00 C ATOM 1137 CG LEU A 72 2.819 -1.172 6.911 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.688 0.323 6.615 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.769 -2.015 5.635 1.00 0.00 C ATOM 0 H LEU A 72 2.317 -2.944 8.581 1.00 0.00 H new ATOM 0 HA LEU A 72 4.652 -3.403 7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.048 -0.896 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.944 -1.088 7.147 1.00 0.00 H new ATOM 0 HG LEU A 72 1.960 -1.457 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.776 0.503 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.645 0.877 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.549 0.656 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.856 -1.789 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.634 -1.785 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.782 -3.073 5.897 1.00 0.00 H new ATOM 1151 N SER A 73 5.372 -2.447 10.180 1.00 0.00 N ATOM 1152 CA SER A 73 6.378 -2.547 11.223 1.00 0.00 C ATOM 1153 C SER A 73 6.800 -4.007 11.405 1.00 0.00 C ATOM 1154 O SER A 73 7.990 -4.309 11.475 1.00 0.00 O ATOM 1155 CB SER A 73 5.861 -1.975 12.544 1.00 0.00 C ATOM 1156 OG SER A 73 6.561 -2.507 13.666 1.00 0.00 O ATOM 0 H SER A 73 4.602 -1.812 10.390 1.00 0.00 H new ATOM 0 HA SER A 73 7.245 -1.960 10.919 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.963 -0.890 12.534 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.798 -2.194 12.643 1.00 0.00 H new ATOM 0 HG SER A 73 6.203 -2.116 14.490 1.00 0.00 H new ATOM 1162 N GLN A 74 5.800 -4.874 11.476 1.00 0.00 N ATOM 1163 CA GLN A 74 6.053 -6.294 11.648 1.00 0.00 C ATOM 1164 C GLN A 74 7.078 -6.780 10.621 1.00 0.00 C ATOM 1165 O GLN A 74 8.109 -7.343 10.986 1.00 0.00 O ATOM 1166 CB GLN A 74 4.754 -7.097 11.549 1.00 0.00 C ATOM 1167 CG GLN A 74 4.110 -7.270 12.926 1.00 0.00 C ATOM 1168 CD GLN A 74 3.575 -8.692 13.107 1.00 0.00 C ATOM 1169 OE1 GLN A 74 4.316 -9.659 13.160 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.250 -8.764 13.198 1.00 0.00 N ATOM 0 H GLN A 74 4.814 -4.620 11.418 1.00 0.00 H new ATOM 0 HA GLN A 74 6.465 -6.452 12.645 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.059 -6.590 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.959 -8.075 11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.842 -7.051 13.704 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.297 -6.554 13.043 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.688 -7.914 13.146 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.796 -9.669 13.320 1.00 0.00 H new ATOM 1179 N ARG A 75 6.759 -6.544 9.357 1.00 0.00 N ATOM 1180 CA ARG A 75 7.639 -6.951 8.275 1.00 0.00 C ATOM 1181 C ARG A 75 8.999 -6.264 8.411 1.00 0.00 C ATOM 1182 O ARG A 75 10.035 -6.872 8.143 1.00 0.00 O ATOM 1183 CB ARG A 75 7.034 -6.603 6.913 1.00 0.00 C ATOM 1184 CG ARG A 75 5.781 -7.438 6.641 1.00 0.00 C ATOM 1185 CD ARG A 75 6.142 -8.904 6.394 1.00 0.00 C ATOM 1186 NE ARG A 75 4.976 -9.768 6.685 1.00 0.00 N ATOM 1187 CZ ARG A 75 4.669 -10.230 7.905 1.00 0.00 C ATOM 1188 NH1 ARG A 75 5.440 -9.914 8.954 1.00 0.00 N ATOM 1189 NH2 ARG A 75 3.592 -11.009 8.075 1.00 0.00 N ATOM 0 H ARG A 75 5.903 -6.076 9.058 1.00 0.00 H new ATOM 0 HA ARG A 75 7.766 -8.032 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.783 -5.543 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.770 -6.779 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.100 -7.365 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.254 -7.038 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.457 -9.040 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.984 -9.191 7.024 1.00 0.00 H new ATOM 0 HE ARG A 75 4.368 -10.028 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.260 -9.322 8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.207 -10.265 9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.006 -11.250 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.358 -11.361 9.004 1.00 0.00 H new ATOM 1203 N GLY A 76 8.953 -5.007 8.828 1.00 0.00 N ATOM 1204 CA GLY A 76 10.169 -4.232 9.003 1.00 0.00 C ATOM 1205 C GLY A 76 9.969 -2.787 8.542 1.00 0.00 C ATOM 1206 O GLY A 76 10.694 -1.889 8.968 1.00 0.00 O ATOM 0 H GLY A 76 8.092 -4.506 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.465 -4.245 10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.981 -4.689 8.437 1.00 0.00 H new ATOM 1210 N ILE A 77 8.983 -2.607 7.676 1.00 0.00 N ATOM 1211 CA ILE A 77 8.678 -1.287 7.152 1.00 0.00 C ATOM 1212 C ILE A 77 8.614 -0.286 8.307 1.00 0.00 C ATOM 1213 O ILE A 77 7.650 -0.276 9.071 1.00 0.00 O ATOM 1214 CB ILE A 77 7.407 -1.327 6.302 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.679 -1.962 4.937 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.788 0.066 6.173 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.378 -2.425 4.278 1.00 0.00 C ATOM 0 H ILE A 77 8.385 -3.354 7.324 1.00 0.00 H new ATOM 0 HA ILE A 77 9.470 -0.952 6.483 1.00 0.00 H new ATOM 0 HB ILE A 77 6.677 -1.957 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.182 -1.242 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.353 -2.810 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.886 0.008 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.534 0.444 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.503 0.739 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.600 -2.872 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.890 -3.163 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.716 -1.570 4.140 1.00 0.00 H new ATOM 1229 N LEU A 78 9.653 0.531 8.399 1.00 0.00 N ATOM 1230 CA LEU A 78 9.727 1.533 9.449 1.00 0.00 C ATOM 1231 C LEU A 78 9.525 2.921 8.838 1.00 0.00 C ATOM 1232 O LEU A 78 9.002 3.046 7.732 1.00 0.00 O ATOM 1233 CB LEU A 78 11.032 1.391 10.235 1.00 0.00 C ATOM 1234 CG LEU A 78 10.887 1.199 11.746 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.087 -0.066 12.064 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.255 1.199 12.432 1.00 0.00 C ATOM 0 H LEU A 78 10.451 0.520 7.763 1.00 0.00 H new ATOM 0 HA LEU A 78 8.928 1.384 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.585 0.542 9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.638 2.279 10.058 1.00 0.00 H new ATOM 0 HG LEU A 78 10.326 2.044 12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.999 -0.179 13.145 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.092 0.013 11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.599 -0.934 11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.124 1.061 13.505 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.862 0.386 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.755 2.150 12.247 1.00 0.00 H new ATOM 1248 N ASP A 79 9.950 3.929 9.586 1.00 0.00 N ATOM 1249 CA ASP A 79 9.822 5.303 9.132 1.00 0.00 C ATOM 1250 C ASP A 79 10.959 5.622 8.159 1.00 0.00 C ATOM 1251 O ASP A 79 12.106 5.244 8.393 1.00 0.00 O ATOM 1252 CB ASP A 79 9.915 6.282 10.304 1.00 0.00 C ATOM 1253 CG ASP A 79 10.337 7.703 9.928 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.462 8.440 9.425 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.525 8.021 10.153 1.00 0.00 O ATOM 0 H ASP A 79 10.383 3.821 10.503 1.00 0.00 H new ATOM 0 HA ASP A 79 8.850 5.409 8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.945 6.326 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.626 5.889 11.031 1.00 0.00 H new ATOM 1260 N GLY A 80 10.601 6.314 7.087 1.00 0.00 N ATOM 1261 CA GLY A 80 11.577 6.688 6.077 1.00 0.00 C ATOM 1262 C GLY A 80 12.049 5.463 5.291 1.00 0.00 C ATOM 1263 O GLY A 80 13.205 5.395 4.876 1.00 0.00 O ATOM 0 H GLY A 80 9.649 6.625 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.139 7.416 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.431 7.171 6.552 1.00 0.00 H new ATOM 1267 N SER A 81 11.130 4.526 5.110 1.00 0.00 N ATOM 1268 CA SER A 81 11.438 3.308 4.380 1.00 0.00 C ATOM 1269 C SER A 81 10.949 3.425 2.935 1.00 0.00 C ATOM 1270 O SER A 81 10.139 4.295 2.619 1.00 0.00 O ATOM 1271 CB SER A 81 10.809 2.088 5.056 1.00 0.00 C ATOM 1272 OG SER A 81 11.131 2.019 6.442 1.00 0.00 O ATOM 0 H SER A 81 10.172 4.586 5.456 1.00 0.00 H new ATOM 0 HA SER A 81 12.520 3.173 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.726 2.126 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.153 1.181 4.559 1.00 0.00 H new ATOM 0 HG SER A 81 11.858 1.376 6.577 1.00 0.00 H new ATOM 1278 N THR A 82 11.461 2.537 2.097 1.00 0.00 N ATOM 1279 CA THR A 82 11.087 2.530 0.693 1.00 0.00 C ATOM 1280 C THR A 82 10.323 1.250 0.351 1.00 0.00 C ATOM 1281 O THR A 82 10.768 0.150 0.678 1.00 0.00 O ATOM 1282 CB THR A 82 12.359 2.718 -0.137 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.544 4.131 -0.173 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.164 2.330 -1.604 1.00 0.00 C ATOM 0 H THR A 82 12.132 1.817 2.363 1.00 0.00 H new ATOM 0 HA THR A 82 10.407 3.349 0.462 1.00 0.00 H new ATOM 0 HB THR A 82 13.164 2.121 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.349 4.342 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.096 2.482 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.874 1.281 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.382 2.950 -2.043 1.00 0.00 H new ATOM 1292 N VAL A 83 9.185 1.434 -0.303 1.00 0.00 N ATOM 1293 CA VAL A 83 8.355 0.308 -0.693 1.00 0.00 C ATOM 1294 C VAL A 83 7.971 0.449 -2.167 1.00 0.00 C ATOM 1295 O VAL A 83 7.489 1.499 -2.589 1.00 0.00 O ATOM 1296 CB VAL A 83 7.141 0.206 0.234 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.349 -1.074 -0.038 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.564 0.289 1.702 1.00 0.00 C ATOM 0 H VAL A 83 8.819 2.347 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 83 8.906 -0.626 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 83 6.488 1.053 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.492 -1.121 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.001 -1.074 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.989 -1.940 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.683 0.214 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.248 -0.529 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.063 1.241 1.884 1.00 0.00 H new ATOM 1308 N HIS A 84 8.199 -0.624 -2.910 1.00 0.00 N ATOM 1309 CA HIS A 84 7.883 -0.633 -4.329 1.00 0.00 C ATOM 1310 C HIS A 84 6.398 -0.946 -4.522 1.00 0.00 C ATOM 1311 O HIS A 84 5.870 -1.872 -3.909 1.00 0.00 O ATOM 1312 CB HIS A 84 8.796 -1.603 -5.082 1.00 0.00 C ATOM 1313 CG HIS A 84 10.189 -1.073 -5.325 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.576 -0.505 -6.526 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.281 -1.029 -4.508 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.846 -0.140 -6.426 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.281 -0.466 -5.175 1.00 0.00 N ATOM 0 H HIS A 84 8.599 -1.493 -2.556 1.00 0.00 H new ATOM 0 HA HIS A 84 8.069 0.354 -4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.866 -2.533 -4.517 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.338 -1.846 -6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.324 -1.391 -3.491 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.433 0.333 -7.199 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.220 -0.304 -4.812 1.00 0.00 H new ATOM 1325 N VAL A 85 5.766 -0.155 -5.376 1.00 0.00 N ATOM 1326 CA VAL A 85 4.352 -0.335 -5.658 1.00 0.00 C ATOM 1327 C VAL A 85 4.191 -1.022 -7.015 1.00 0.00 C ATOM 1328 O VAL A 85 5.053 -0.900 -7.883 1.00 0.00 O ATOM 1329 CB VAL A 85 3.627 1.010 -5.578 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.959 1.885 -6.788 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.116 0.811 -5.443 1.00 0.00 C ATOM 0 H VAL A 85 6.207 0.613 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 85 3.892 -0.981 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 85 3.978 1.527 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.431 2.835 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.033 2.069 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.650 1.376 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.625 1.782 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.742 0.264 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.903 0.245 -4.536 1.00 0.00 H new ATOM 1341 N VAL A 86 3.079 -1.729 -7.156 1.00 0.00 N ATOM 1342 CA VAL A 86 2.793 -2.435 -8.394 1.00 0.00 C ATOM 1343 C VAL A 86 1.294 -2.350 -8.690 1.00 0.00 C ATOM 1344 O VAL A 86 0.487 -2.177 -7.778 1.00 0.00 O ATOM 1345 CB VAL A 86 3.304 -3.874 -8.305 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.593 -4.772 -9.319 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.822 -3.929 -8.493 1.00 0.00 C ATOM 0 H VAL A 86 2.366 -1.828 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 86 3.316 -1.969 -9.229 1.00 0.00 H new ATOM 0 HB VAL A 86 3.076 -4.250 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.975 -5.789 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.521 -4.769 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.775 -4.398 -10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.160 -4.963 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.082 -3.526 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.306 -3.337 -7.716 1.00 0.00 H new ATOM 1357 N VAL A 87 0.968 -2.476 -9.968 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.420 -2.416 -10.395 1.00 0.00 C ATOM 1359 C VAL A 87 -0.626 -3.365 -11.577 1.00 0.00 C ATOM 1360 O VAL A 87 -1.063 -2.943 -12.647 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.807 -0.970 -10.714 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.315 -0.761 -10.566 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.028 0.012 -9.837 1.00 0.00 C ATOM 0 H VAL A 87 1.641 -2.619 -10.721 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.081 -2.746 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.542 -0.773 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.563 0.275 -10.798 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.843 -1.423 -11.252 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.615 -0.985 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.322 1.032 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.247 -0.185 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.041 -0.111 -10.014 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.302 -4.628 -11.345 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.447 -5.640 -12.377 1.00 0.00 C ATOM 1375 C ARG A 88 -1.831 -5.546 -13.022 1.00 0.00 C ATOM 1376 O ARG A 88 -2.657 -4.732 -12.612 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.254 -7.045 -11.802 1.00 0.00 C ATOM 1378 CG ARG A 88 -1.166 -7.274 -10.595 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.674 -8.451 -9.751 1.00 0.00 C ATOM 1380 NE ARG A 88 -1.808 -9.057 -9.018 1.00 0.00 N ATOM 1381 CZ ARG A 88 -1.768 -10.265 -8.440 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -0.653 -11.004 -8.506 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -2.845 -10.735 -7.796 1.00 0.00 N ATOM 0 H ARG A 88 0.061 -4.974 -10.457 1.00 0.00 H new ATOM 0 HA ARG A 88 0.321 -5.459 -13.129 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.468 -7.788 -12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.786 -7.181 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.199 -6.372 -9.984 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.184 -7.466 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.204 -9.197 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.085 -8.112 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.674 -8.522 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.167 -10.647 -8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.624 -11.924 -8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.695 -10.173 -7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.815 -11.655 -7.356 1.00 0.00 H new