USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 34 LYS NZ :NH3+ 149:sc= 0 (180deg=0) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -147:sc= 0.104 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.653 K(o=0.65,f=-0.13) USER MOD Single : A 23 MET CE :methyl 180:sc= -0.0253 (180deg=-0.0253) USER MOD Single : A 24 SER OG : rot -133:sc=-0.00986 USER MOD Single : A 29 THR OG1 : rot 172:sc= 0.934 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -25:sc= 1.19 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0356 K(o=-0.036,f=-0.8) USER MOD Single : A 44 ASN : amide:sc=-0.00802 X(o=-0.008,f=0) USER MOD Single : A 47 GLN : amide:sc= -2.4! K(o=-2.4!,f=0) USER MOD Single : A 53 SER OG : rot -160:sc= -0.0241 USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 59 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.11) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 82:sc= 1.27 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00772) USER MOD Single : A 86 MET CE :methyl 166:sc= -0.477 (180deg=-1.13) USER MOD Single : A 87 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.6) USER MOD Single : A 91 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.434 K(o=0.43,f=-1.6) USER MOD Single : A 95 ASN : amide:sc= 0.578 K(o=0.58,f=-5.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.344 -13.728 -4.996 1.00 0.00 N ATOM 172 CA ILE A 17 -4.949 -13.308 -5.110 1.00 0.00 C ATOM 173 C ILE A 17 -4.079 -14.484 -5.554 1.00 0.00 C ATOM 174 O ILE A 17 -3.292 -14.310 -6.474 1.00 0.00 O ATOM 175 CB ILE A 17 -4.438 -12.590 -3.836 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.989 -12.052 -3.959 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.516 -13.477 -2.580 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.719 -11.042 -5.081 1.00 0.00 C ATOM 0 HA ILE A 17 -4.878 -12.550 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.116 -11.743 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.718 -11.587 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.322 -12.902 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.145 -12.922 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.551 -13.769 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.907 -14.369 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.671 -10.745 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.946 -11.499 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.348 -10.163 -4.939 1.00 0.00 H new ATOM 190 N GLN A 18 -4.225 -15.688 -4.987 1.00 0.00 N ATOM 191 CA GLN A 18 -3.345 -16.792 -5.369 1.00 0.00 C ATOM 192 C GLN A 18 -3.598 -17.248 -6.810 1.00 0.00 C ATOM 193 O GLN A 18 -2.659 -17.657 -7.482 1.00 0.00 O ATOM 194 CB GLN A 18 -3.463 -17.959 -4.382 1.00 0.00 C ATOM 195 CG GLN A 18 -2.824 -17.589 -3.035 1.00 0.00 C ATOM 196 CD GLN A 18 -2.943 -18.707 -2.002 1.00 0.00 C ATOM 197 OE1 GLN A 18 -2.726 -19.878 -2.304 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.251 -18.368 -0.768 1.00 0.00 N ATOM 0 H GLN A 18 -4.925 -15.917 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.320 -16.423 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.512 -18.215 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.974 -18.842 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.771 -17.352 -3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.300 -16.688 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.428 -17.390 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.313 -19.083 -0.043 1.00 0.00 H new ATOM 207 N GLU A 19 -4.829 -17.144 -7.311 1.00 0.00 N ATOM 208 CA GLU A 19 -5.199 -17.414 -8.694 1.00 0.00 C ATOM 209 C GLU A 19 -4.607 -16.380 -9.649 1.00 0.00 C ATOM 210 O GLU A 19 -4.316 -16.716 -10.792 1.00 0.00 O ATOM 211 CB GLU A 19 -6.727 -17.441 -8.791 1.00 0.00 C ATOM 212 CG GLU A 19 -7.238 -17.782 -10.194 1.00 0.00 C ATOM 213 CD GLU A 19 -8.676 -18.284 -10.146 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.883 -19.374 -9.567 1.00 0.00 O ATOM 215 OE2 GLU A 19 -9.589 -17.566 -10.603 1.00 0.00 O ATOM 0 H GLU A 19 -5.624 -16.858 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.792 -18.380 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.116 -18.172 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.120 -16.469 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.179 -16.899 -10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.599 -18.542 -10.643 1.00 0.00 H new ATOM 222 N ILE A 20 -4.418 -15.145 -9.192 1.00 0.00 N ATOM 223 CA ILE A 20 -3.799 -14.066 -9.943 1.00 0.00 C ATOM 224 C ILE A 20 -2.273 -14.210 -9.907 1.00 0.00 C ATOM 225 O ILE A 20 -1.624 -14.097 -10.946 1.00 0.00 O ATOM 226 CB ILE A 20 -4.343 -12.738 -9.367 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.780 -12.466 -9.869 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.433 -11.536 -9.621 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.921 -12.283 -11.388 1.00 0.00 C ATOM 0 H ILE A 20 -4.703 -14.862 -8.254 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.052 -14.092 -11.003 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.365 -12.868 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.418 -13.293 -9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.156 -11.570 -9.375 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.882 -10.642 -9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.460 -11.713 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.308 -11.395 -10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.966 -12.098 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.315 -11.436 -11.710 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.582 -13.186 -11.896 1.00 0.00 H new ATOM 241 N VAL A 21 -1.702 -14.514 -8.741 1.00 0.00 N ATOM 242 CA VAL A 21 -0.292 -14.826 -8.542 1.00 0.00 C ATOM 243 C VAL A 21 0.096 -16.016 -9.421 1.00 0.00 C ATOM 244 O VAL A 21 1.188 -16.022 -9.983 1.00 0.00 O ATOM 245 CB VAL A 21 -0.061 -15.133 -7.049 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.341 -15.660 -6.740 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.308 -13.927 -6.128 1.00 0.00 C ATOM 0 H VAL A 21 -2.236 -14.550 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 21 0.333 -13.980 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.798 -15.910 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.430 -15.853 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.512 -16.585 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.082 -14.918 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.126 -14.216 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.367 -13.116 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.340 -13.592 -6.236 1.00 0.00 H new ATOM 257 N ALA A 22 -0.797 -17.001 -9.563 1.00 0.00 N ATOM 258 CA ALA A 22 -0.596 -18.181 -10.389 1.00 0.00 C ATOM 259 C ALA A 22 -0.214 -17.807 -11.821 1.00 0.00 C ATOM 260 O ALA A 22 0.554 -18.531 -12.455 1.00 0.00 O ATOM 261 CB ALA A 22 -1.889 -18.998 -10.406 1.00 0.00 C ATOM 0 H ALA A 22 -1.701 -16.993 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 22 0.222 -18.763 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.750 -19.886 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.143 -19.298 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.696 -18.393 -10.818 1.00 0.00 H new ATOM 267 N MET A 23 -0.777 -16.705 -12.319 1.00 0.00 N ATOM 268 CA MET A 23 -0.666 -16.187 -13.666 1.00 0.00 C ATOM 269 C MET A 23 0.455 -15.151 -13.803 1.00 0.00 C ATOM 270 O MET A 23 0.701 -14.660 -14.907 1.00 0.00 O ATOM 271 CB MET A 23 -2.012 -15.521 -13.985 1.00 0.00 C ATOM 272 CG MET A 23 -3.215 -16.440 -13.754 1.00 0.00 C ATOM 273 SD MET A 23 -3.406 -17.695 -15.026 1.00 0.00 S ATOM 274 CE MET A 23 -4.315 -16.648 -16.164 1.00 0.00 C ATOM 0 H MET A 23 -1.368 -16.111 -11.737 1.00 0.00 H new ATOM 0 HA MET A 23 -0.426 -17.000 -14.351 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.122 -14.629 -13.369 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.009 -15.193 -15.024 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.110 -16.928 -12.785 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.121 -15.836 -13.710 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.559 -17.214 -17.063 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.235 -16.307 -15.689 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.704 -15.786 -16.433 1.00 0.00 H new ATOM 284 N SER A 24 1.094 -14.754 -12.702 1.00 0.00 N ATOM 285 CA SER A 24 2.131 -13.737 -12.700 1.00 0.00 C ATOM 286 C SER A 24 3.390 -14.291 -13.386 1.00 0.00 C ATOM 287 O SER A 24 3.679 -15.482 -13.239 1.00 0.00 O ATOM 288 CB SER A 24 2.411 -13.366 -11.241 1.00 0.00 C ATOM 289 OG SER A 24 3.308 -12.285 -11.113 1.00 0.00 O ATOM 0 H SER A 24 0.899 -15.138 -11.778 1.00 0.00 H new ATOM 0 HA SER A 24 1.818 -12.848 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.472 -13.113 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.819 -14.234 -10.722 1.00 0.00 H new ATOM 0 HG SER A 24 3.989 -12.503 -10.443 1.00 0.00 H new ATOM 295 N PRO A 25 4.189 -13.452 -14.064 1.00 0.00 N ATOM 296 CA PRO A 25 5.543 -13.799 -14.466 1.00 0.00 C ATOM 297 C PRO A 25 6.481 -13.821 -13.247 1.00 0.00 C ATOM 298 O PRO A 25 6.032 -13.595 -12.119 1.00 0.00 O ATOM 299 CB PRO A 25 5.907 -12.768 -15.528 1.00 0.00 C ATOM 300 CG PRO A 25 5.142 -11.517 -15.114 1.00 0.00 C ATOM 301 CD PRO A 25 3.910 -12.059 -14.388 1.00 0.00 C ATOM 0 HA PRO A 25 5.635 -14.803 -14.881 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.981 -12.587 -15.555 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.615 -13.102 -16.524 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.741 -10.880 -14.463 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.863 -10.915 -15.979 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.711 -11.484 -13.483 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.024 -11.979 -15.018 1.00 0.00 H new ATOM 309 N GLU A 26 7.757 -14.166 -13.462 1.00 0.00 N ATOM 310 CA GLU A 26 8.788 -14.301 -12.438 1.00 0.00 C ATOM 311 C GLU A 26 9.174 -12.937 -11.844 1.00 0.00 C ATOM 312 O GLU A 26 10.186 -12.323 -12.209 1.00 0.00 O ATOM 313 CB GLU A 26 9.995 -15.039 -13.028 1.00 0.00 C ATOM 314 CG GLU A 26 10.897 -15.602 -11.938 1.00 0.00 C ATOM 315 CD GLU A 26 12.307 -16.028 -12.341 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.748 -15.858 -13.499 1.00 0.00 O ATOM 317 OE2 GLU A 26 13.005 -16.624 -11.491 1.00 0.00 O ATOM 0 H GLU A 26 8.109 -14.366 -14.398 1.00 0.00 H new ATOM 0 HA GLU A 26 8.395 -14.891 -11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.648 -15.850 -13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.567 -14.357 -13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.984 -14.852 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.397 -16.466 -11.500 1.00 0.00 H new ATOM 324 N LEU A 27 8.323 -12.465 -10.940 1.00 0.00 N ATOM 325 CA LEU A 27 8.375 -11.141 -10.346 1.00 0.00 C ATOM 326 C LEU A 27 9.589 -11.002 -9.457 1.00 0.00 C ATOM 327 O LEU A 27 9.781 -11.763 -8.507 1.00 0.00 O ATOM 328 CB LEU A 27 7.067 -10.824 -9.627 1.00 0.00 C ATOM 329 CG LEU A 27 6.259 -9.777 -10.401 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.971 -10.218 -11.838 1.00 0.00 C ATOM 331 CD2 LEU A 27 4.955 -9.587 -9.646 1.00 0.00 C ATOM 0 H LEU A 27 7.545 -13.022 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 27 8.484 -10.398 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.478 -11.735 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.279 -10.457 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 27 6.828 -8.850 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.396 -9.445 -12.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.912 -10.378 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.400 -11.146 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.341 -8.847 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.419 -10.535 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.167 -9.242 -8.634 1.00 0.00 H new ATOM 343 N ASP A 28 10.419 -10.032 -9.815 1.00 0.00 N ATOM 344 CA ASP A 28 11.752 -9.867 -9.283 1.00 0.00 C ATOM 345 C ASP A 28 11.699 -9.363 -7.849 1.00 0.00 C ATOM 346 O ASP A 28 11.664 -8.155 -7.617 1.00 0.00 O ATOM 347 CB ASP A 28 12.555 -8.932 -10.186 1.00 0.00 C ATOM 348 CG ASP A 28 14.018 -9.111 -9.832 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.580 -10.154 -10.232 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.608 -8.297 -9.092 1.00 0.00 O ATOM 0 H ASP A 28 10.170 -9.322 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 28 12.256 -10.834 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.382 -9.169 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.248 -7.897 -10.038 1.00 0.00 H new ATOM 355 N THR A 29 11.633 -10.277 -6.880 1.00 0.00 N ATOM 356 CA THR A 29 11.396 -9.916 -5.492 1.00 0.00 C ATOM 357 C THR A 29 12.411 -8.883 -5.014 1.00 0.00 C ATOM 358 O THR A 29 12.024 -7.919 -4.357 1.00 0.00 O ATOM 359 CB THR A 29 11.339 -11.160 -4.589 1.00 0.00 C ATOM 360 OG1 THR A 29 12.494 -11.969 -4.662 1.00 0.00 O ATOM 361 CG2 THR A 29 10.147 -12.037 -4.967 1.00 0.00 C ATOM 0 H THR A 29 11.742 -11.279 -7.038 1.00 0.00 H new ATOM 0 HA THR A 29 10.415 -9.445 -5.425 1.00 0.00 H new ATOM 0 HB THR A 29 11.254 -10.772 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.448 -12.667 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.120 -12.913 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.225 -11.469 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.244 -12.356 -6.005 1.00 0.00 H new ATOM 369 N TYR A 30 13.687 -9.029 -5.367 1.00 0.00 N ATOM 370 CA TYR A 30 14.717 -8.090 -5.029 1.00 0.00 C ATOM 371 C TYR A 30 14.411 -6.689 -5.542 1.00 0.00 C ATOM 372 O TYR A 30 14.215 -5.791 -4.717 1.00 0.00 O ATOM 373 CB TYR A 30 16.038 -8.650 -5.545 1.00 0.00 C ATOM 374 CG TYR A 30 17.233 -8.029 -4.881 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.269 -7.930 -3.480 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.280 -7.529 -5.665 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.342 -7.271 -2.852 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.353 -6.867 -5.052 1.00 0.00 C ATOM 379 CZ TYR A 30 19.377 -6.722 -3.647 1.00 0.00 C ATOM 380 OH TYR A 30 20.382 -6.005 -3.077 1.00 0.00 O ATOM 0 H TYR A 30 14.025 -9.825 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 30 14.780 -7.969 -3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.058 -9.728 -5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.101 -8.487 -6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.475 -8.359 -2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 30 18.261 -7.653 -6.738 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.376 -7.185 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 30 20.158 -6.469 -5.652 1.00 0.00 H new ATOM 0 HH TYR A 30 21.005 -5.706 -3.772 1.00 0.00 H new ATOM 390 N SER A 31 14.313 -6.515 -6.862 1.00 0.00 N ATOM 391 CA SER A 31 14.007 -5.226 -7.468 1.00 0.00 C ATOM 392 C SER A 31 12.725 -4.657 -6.864 1.00 0.00 C ATOM 393 O SER A 31 12.735 -3.518 -6.413 1.00 0.00 O ATOM 394 CB SER A 31 13.960 -5.336 -8.998 1.00 0.00 C ATOM 395 OG SER A 31 14.087 -4.064 -9.604 1.00 0.00 O ATOM 0 H SER A 31 14.445 -7.268 -7.538 1.00 0.00 H new ATOM 0 HA SER A 31 14.806 -4.519 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.762 -5.989 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.020 -5.796 -9.304 1.00 0.00 H new ATOM 0 HG SER A 31 14.056 -4.161 -10.579 1.00 0.00 H new ATOM 401 N ILE A 32 11.650 -5.444 -6.751 1.00 0.00 N ATOM 402 CA ILE A 32 10.393 -4.995 -6.160 1.00 0.00 C ATOM 403 C ILE A 32 10.654 -4.461 -4.748 1.00 0.00 C ATOM 404 O ILE A 32 10.251 -3.340 -4.460 1.00 0.00 O ATOM 405 CB ILE A 32 9.325 -6.114 -6.228 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.976 -6.423 -7.704 1.00 0.00 C ATOM 407 CG2 ILE A 32 8.028 -5.743 -5.477 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.303 -7.787 -7.869 1.00 0.00 C ATOM 0 H ILE A 32 11.631 -6.413 -7.069 1.00 0.00 H new ATOM 0 HA ILE A 32 9.978 -4.167 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 32 9.756 -6.990 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.316 -5.646 -8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.886 -6.394 -8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.314 -6.563 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.255 -5.561 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.598 -4.843 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.078 -7.957 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.972 -8.569 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.378 -7.809 -7.292 1.00 0.00 H new ATOM 420 N THR A 33 11.336 -5.190 -3.856 1.00 0.00 N ATOM 421 CA THR A 33 11.558 -4.692 -2.493 1.00 0.00 C ATOM 422 C THR A 33 12.331 -3.376 -2.467 1.00 0.00 C ATOM 423 O THR A 33 12.026 -2.515 -1.646 1.00 0.00 O ATOM 424 CB THR A 33 12.273 -5.716 -1.609 1.00 0.00 C ATOM 425 OG1 THR A 33 13.526 -6.142 -2.122 1.00 0.00 O ATOM 426 CG2 THR A 33 11.398 -6.934 -1.346 1.00 0.00 C ATOM 0 H THR A 33 11.737 -6.108 -4.047 1.00 0.00 H new ATOM 0 HA THR A 33 10.561 -4.515 -2.089 1.00 0.00 H new ATOM 0 HB THR A 33 12.467 -5.190 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.537 -6.028 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.938 -7.640 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.483 -6.623 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.146 -7.412 -2.293 1.00 0.00 H new ATOM 434 N LYS A 34 13.321 -3.231 -3.348 1.00 0.00 N ATOM 435 CA LYS A 34 14.057 -1.987 -3.538 1.00 0.00 C ATOM 436 C LYS A 34 13.071 -0.911 -3.959 1.00 0.00 C ATOM 437 O LYS A 34 12.838 0.007 -3.185 1.00 0.00 O ATOM 438 CB LYS A 34 15.189 -2.154 -4.572 1.00 0.00 C ATOM 439 CG LYS A 34 16.582 -2.311 -3.953 1.00 0.00 C ATOM 440 CD LYS A 34 16.710 -3.530 -3.034 1.00 0.00 C ATOM 441 CE LYS A 34 18.154 -3.689 -2.553 1.00 0.00 C ATOM 442 NZ LYS A 34 18.550 -2.694 -1.530 1.00 0.00 N ATOM 0 H LYS A 34 13.636 -3.986 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 34 14.537 -1.697 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.977 -3.027 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.193 -1.288 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.319 -2.390 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.822 -1.412 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.045 -3.418 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.397 -4.428 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.284 -4.691 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.825 -3.605 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.254 -3.115 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.961 -1.861 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.713 -2.407 -0.983 1.00 0.00 H new ATOM 456 N ARG A 35 12.453 -1.050 -5.127 1.00 0.00 N ATOM 457 CA ARG A 35 11.589 -0.072 -5.760 1.00 0.00 C ATOM 458 C ARG A 35 10.481 0.377 -4.810 1.00 0.00 C ATOM 459 O ARG A 35 10.139 1.551 -4.759 1.00 0.00 O ATOM 460 CB ARG A 35 11.081 -0.747 -7.049 1.00 0.00 C ATOM 461 CG ARG A 35 10.876 0.201 -8.223 1.00 0.00 C ATOM 462 CD ARG A 35 9.521 0.880 -8.165 1.00 0.00 C ATOM 463 NE ARG A 35 9.263 1.619 -9.404 1.00 0.00 N ATOM 464 CZ ARG A 35 8.691 1.206 -10.538 1.00 0.00 C ATOM 465 NH1 ARG A 35 8.180 -0.015 -10.654 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.655 2.026 -11.576 1.00 0.00 N ATOM 0 H ARG A 35 12.550 -1.898 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 35 12.108 0.853 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.791 -1.520 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.137 -1.247 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.662 0.956 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.966 -0.352 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.741 0.135 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.485 1.561 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 35 9.565 2.593 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.219 -0.661 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.748 -0.306 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.061 2.959 -11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.222 1.725 -12.449 1.00 0.00 H new ATOM 480 N VAL A 36 9.952 -0.547 -4.012 1.00 0.00 N ATOM 481 CA VAL A 36 8.971 -0.278 -2.979 1.00 0.00 C ATOM 482 C VAL A 36 9.603 0.579 -1.873 1.00 0.00 C ATOM 483 O VAL A 36 9.074 1.643 -1.562 1.00 0.00 O ATOM 484 CB VAL A 36 8.416 -1.630 -2.492 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.627 -1.503 -1.195 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.444 -2.255 -3.513 1.00 0.00 C ATOM 0 H VAL A 36 10.206 -1.533 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 36 8.130 0.305 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 36 9.299 -2.253 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.258 -2.484 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.274 -1.105 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.784 -0.829 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.076 -3.207 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.603 -1.580 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.964 -2.420 -4.457 1.00 0.00 H new ATOM 496 N LYS A 37 10.707 0.140 -1.254 1.00 0.00 N ATOM 497 CA LYS A 37 11.375 0.887 -0.182 1.00 0.00 C ATOM 498 C LYS A 37 11.704 2.308 -0.609 1.00 0.00 C ATOM 499 O LYS A 37 11.532 3.229 0.189 1.00 0.00 O ATOM 500 CB LYS A 37 12.687 0.191 0.207 1.00 0.00 C ATOM 501 CG LYS A 37 12.441 -0.938 1.203 1.00 0.00 C ATOM 502 CD LYS A 37 13.756 -1.565 1.684 1.00 0.00 C ATOM 503 CE LYS A 37 14.429 -2.443 0.628 1.00 0.00 C ATOM 504 NZ LYS A 37 15.706 -2.997 1.126 1.00 0.00 N ATOM 0 H LYS A 37 11.162 -0.744 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 37 10.688 0.918 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.169 -0.207 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.373 0.919 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.886 -0.554 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.820 -1.704 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.443 -0.771 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.561 -2.164 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.761 -3.258 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.611 -1.857 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.377 -3.087 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.103 -2.361 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.538 -3.934 1.546 1.00 0.00 H new ATOM 518 N GLU A 38 12.190 2.460 -1.835 1.00 0.00 N ATOM 519 CA GLU A 38 12.533 3.745 -2.427 1.00 0.00 C ATOM 520 C GLU A 38 11.284 4.640 -2.410 1.00 0.00 C ATOM 521 O GLU A 38 11.315 5.712 -1.809 1.00 0.00 O ATOM 522 CB GLU A 38 13.111 3.547 -3.837 1.00 0.00 C ATOM 523 CG GLU A 38 14.391 2.694 -3.886 1.00 0.00 C ATOM 524 CD GLU A 38 15.675 3.436 -3.535 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.877 3.734 -2.337 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.512 3.634 -4.449 1.00 0.00 O ATOM 0 H GLU A 38 12.360 1.672 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 38 13.312 4.242 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.353 3.079 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.324 4.525 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.276 1.854 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.493 2.277 -4.888 1.00 0.00 H new ATOM 533 N VAL A 39 10.154 4.180 -2.966 1.00 0.00 N ATOM 534 CA VAL A 39 8.893 4.925 -2.970 1.00 0.00 C ATOM 535 C VAL A 39 8.438 5.284 -1.545 1.00 0.00 C ATOM 536 O VAL A 39 7.972 6.404 -1.316 1.00 0.00 O ATOM 537 CB VAL A 39 7.820 4.146 -3.770 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.403 4.729 -3.630 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.154 4.145 -5.269 1.00 0.00 C ATOM 0 H VAL A 39 10.092 3.273 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 39 9.049 5.878 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 39 7.832 3.140 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.705 4.133 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.104 4.711 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.395 5.757 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.387 3.592 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.189 5.171 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.123 3.671 -5.426 1.00 0.00 H new ATOM 549 N LEU A 40 8.542 4.362 -0.583 1.00 0.00 N ATOM 550 CA LEU A 40 8.088 4.611 0.784 1.00 0.00 C ATOM 551 C LEU A 40 8.980 5.640 1.473 1.00 0.00 C ATOM 552 O LEU A 40 8.445 6.538 2.115 1.00 0.00 O ATOM 553 CB LEU A 40 7.993 3.314 1.606 1.00 0.00 C ATOM 554 CG LEU A 40 7.023 2.293 0.990 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.176 0.952 1.708 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.575 2.804 0.955 1.00 0.00 C ATOM 0 H LEU A 40 8.939 3.434 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 40 7.080 5.021 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.983 2.866 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.668 3.553 2.619 1.00 0.00 H new ATOM 0 HG LEU A 40 7.285 2.145 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.489 0.226 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.200 0.595 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.948 1.078 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.932 2.044 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.239 3.015 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.525 3.715 0.359 1.00 0.00 H new ATOM 568 N THR A 41 10.304 5.545 1.346 1.00 0.00 N ATOM 569 CA THR A 41 11.241 6.545 1.835 1.00 0.00 C ATOM 570 C THR A 41 10.955 7.898 1.181 1.00 0.00 C ATOM 571 O THR A 41 10.894 8.909 1.881 1.00 0.00 O ATOM 572 CB THR A 41 12.667 6.043 1.553 1.00 0.00 C ATOM 573 OG1 THR A 41 13.019 5.035 2.489 1.00 0.00 O ATOM 574 CG2 THR A 41 13.717 7.148 1.595 1.00 0.00 C ATOM 0 H THR A 41 10.759 4.754 0.891 1.00 0.00 H new ATOM 0 HA THR A 41 11.132 6.692 2.910 1.00 0.00 H new ATOM 0 HB THR A 41 12.656 5.645 0.538 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.928 4.718 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.700 6.724 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.481 7.903 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.722 7.608 2.583 1.00 0.00 H new ATOM 582 N ASP A 42 10.752 7.929 -0.136 1.00 0.00 N ATOM 583 CA ASP A 42 10.528 9.149 -0.907 1.00 0.00 C ATOM 584 C ASP A 42 9.290 9.882 -0.411 1.00 0.00 C ATOM 585 O ASP A 42 9.229 11.104 -0.463 1.00 0.00 O ATOM 586 CB ASP A 42 10.311 8.808 -2.385 1.00 0.00 C ATOM 587 CG ASP A 42 11.583 8.670 -3.211 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.712 8.716 -2.684 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.437 8.503 -4.445 1.00 0.00 O ATOM 0 H ASP A 42 10.739 7.085 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 42 11.408 9.781 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.753 7.874 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.688 9.582 -2.833 1.00 0.00 H new ATOM 594 N ASN A 43 8.284 9.151 0.065 1.00 0.00 N ATOM 595 CA ASN A 43 7.039 9.724 0.567 1.00 0.00 C ATOM 596 C ASN A 43 7.007 9.718 2.095 1.00 0.00 C ATOM 597 O ASN A 43 5.993 10.069 2.694 1.00 0.00 O ATOM 598 CB ASN A 43 5.852 9.019 -0.093 1.00 0.00 C ATOM 599 CG ASN A 43 5.830 9.365 -1.579 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.393 10.444 -1.967 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.335 8.495 -2.435 1.00 0.00 N ATOM 0 H ASN A 43 8.312 8.133 0.113 1.00 0.00 H new ATOM 0 HA ASN A 43 6.970 10.776 0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.933 7.940 0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.920 9.329 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.365 8.717 -3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.695 7.601 -2.101 1.00 0.00 H new ATOM 608 N ASN A 44 8.138 9.366 2.722 1.00 0.00 N ATOM 609 CA ASN A 44 8.413 9.294 4.155 1.00 0.00 C ATOM 610 C ASN A 44 7.423 8.385 4.913 1.00 0.00 C ATOM 611 O ASN A 44 7.250 8.530 6.127 1.00 0.00 O ATOM 612 CB ASN A 44 8.563 10.714 4.743 1.00 0.00 C ATOM 613 CG ASN A 44 9.807 11.463 4.270 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.728 11.685 5.057 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.854 11.896 3.024 1.00 0.00 N ATOM 0 H ASN A 44 8.961 9.099 2.181 1.00 0.00 H new ATOM 0 HA ASN A 44 9.372 8.797 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.681 11.298 4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.587 10.643 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.663 12.425 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.081 11.702 2.387 1.00 0.00 H new ATOM 622 N LEU A 45 6.773 7.454 4.211 1.00 0.00 N ATOM 623 CA LEU A 45 5.703 6.570 4.667 1.00 0.00 C ATOM 624 C LEU A 45 6.222 5.443 5.553 1.00 0.00 C ATOM 625 O LEU A 45 7.091 4.676 5.132 1.00 0.00 O ATOM 626 CB LEU A 45 5.043 5.922 3.451 1.00 0.00 C ATOM 627 CG LEU A 45 4.059 6.821 2.698 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.738 6.123 1.378 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.763 7.030 3.491 1.00 0.00 C ATOM 0 H LEU A 45 7.001 7.287 3.231 1.00 0.00 H new ATOM 0 HA LEU A 45 5.004 7.178 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.823 5.602 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.517 5.024 3.776 1.00 0.00 H new ATOM 0 HG LEU A 45 4.505 7.803 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.037 6.731 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.655 5.990 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.293 5.149 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.090 7.673 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.284 6.067 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.993 7.499 4.448 1.00 0.00 H new ATOM 641 N GLY A 46 5.610 5.284 6.724 1.00 0.00 N ATOM 642 CA GLY A 46 5.956 4.265 7.705 1.00 0.00 C ATOM 643 C GLY A 46 5.623 2.868 7.195 1.00 0.00 C ATOM 644 O GLY A 46 4.443 2.573 7.000 1.00 0.00 O ATOM 0 H GLY A 46 4.837 5.879 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.020 4.326 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.417 4.453 8.633 1.00 0.00 H new ATOM 648 N GLN A 47 6.650 2.016 7.037 1.00 0.00 N ATOM 649 CA GLN A 47 6.585 0.671 6.453 1.00 0.00 C ATOM 650 C GLN A 47 5.382 -0.142 6.930 1.00 0.00 C ATOM 651 O GLN A 47 4.824 -0.909 6.146 1.00 0.00 O ATOM 652 CB GLN A 47 7.854 -0.126 6.805 1.00 0.00 C ATOM 653 CG GLN A 47 8.918 -0.050 5.714 1.00 0.00 C ATOM 654 CD GLN A 47 10.232 -0.618 6.226 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.938 0.031 6.983 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.583 -1.845 5.879 1.00 0.00 N ATOM 0 H GLN A 47 7.596 2.262 7.329 1.00 0.00 H new ATOM 0 HA GLN A 47 6.492 0.824 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.269 0.253 7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.588 -1.169 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.590 -0.606 4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.057 0.985 5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.992 -2.385 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.445 -2.251 6.244 1.00 0.00 H new ATOM 665 N ARG A 48 5.026 -0.043 8.218 1.00 0.00 N ATOM 666 CA ARG A 48 3.941 -0.827 8.790 1.00 0.00 C ATOM 667 C ARG A 48 2.661 -0.591 8.005 1.00 0.00 C ATOM 668 O ARG A 48 2.020 -1.557 7.633 1.00 0.00 O ATOM 669 CB ARG A 48 3.742 -0.503 10.280 1.00 0.00 C ATOM 670 CG ARG A 48 2.672 -1.437 10.859 1.00 0.00 C ATOM 671 CD ARG A 48 2.544 -1.375 12.378 1.00 0.00 C ATOM 672 NE ARG A 48 1.455 -2.257 12.824 1.00 0.00 N ATOM 673 CZ ARG A 48 1.181 -2.617 14.080 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.927 -2.179 15.086 1.00 0.00 N ATOM 675 NH2 ARG A 48 0.137 -3.396 14.306 1.00 0.00 N ATOM 0 H ARG A 48 5.483 0.581 8.883 1.00 0.00 H new ATOM 0 HA ARG A 48 4.205 -1.882 8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.681 -0.626 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.439 0.537 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.709 -1.188 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.903 -2.461 10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.482 -1.677 12.844 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.347 -0.351 12.694 1.00 0.00 H new ATOM 0 HE ARG A 48 0.845 -2.633 12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.718 -1.561 14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.709 -2.460 16.042 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.442 -3.711 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.089 -3.682 15.259 1.00 0.00 H new ATOM 689 N LEU A 49 2.294 0.660 7.744 1.00 0.00 N ATOM 690 CA LEU A 49 1.044 1.054 7.113 1.00 0.00 C ATOM 691 C LEU A 49 0.918 0.381 5.754 1.00 0.00 C ATOM 692 O LEU A 49 -0.099 -0.243 5.450 1.00 0.00 O ATOM 693 CB LEU A 49 1.102 2.584 6.989 1.00 0.00 C ATOM 694 CG LEU A 49 -0.264 3.259 6.887 1.00 0.00 C ATOM 695 CD1 LEU A 49 -0.057 4.751 7.123 1.00 0.00 C ATOM 696 CD2 LEU A 49 -0.980 3.085 5.569 1.00 0.00 C ATOM 0 H LEU A 49 2.885 1.458 7.977 1.00 0.00 H new ATOM 0 HA LEU A 49 0.171 0.751 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.630 2.987 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.689 2.843 6.108 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.899 2.778 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.015 5.266 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.371 4.907 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.621 5.148 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.938 3.603 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.371 3.502 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.148 2.024 5.383 1.00 0.00 H new ATOM 708 N PHE A 50 1.965 0.510 4.941 1.00 0.00 N ATOM 709 CA PHE A 50 2.085 -0.164 3.656 1.00 0.00 C ATOM 710 C PHE A 50 1.885 -1.686 3.779 1.00 0.00 C ATOM 711 O PHE A 50 1.294 -2.288 2.880 1.00 0.00 O ATOM 712 CB PHE A 50 3.430 0.224 3.027 1.00 0.00 C ATOM 713 CG PHE A 50 3.770 -0.528 1.756 1.00 0.00 C ATOM 714 CD1 PHE A 50 2.943 -0.436 0.621 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.874 -1.399 1.740 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.205 -1.234 -0.505 1.00 0.00 C ATOM 717 CE2 PHE A 50 5.114 -2.221 0.625 1.00 0.00 C ATOM 718 CZ PHE A 50 4.288 -2.124 -0.505 1.00 0.00 C ATOM 0 H PHE A 50 2.768 1.098 5.164 1.00 0.00 H new ATOM 0 HA PHE A 50 1.286 0.164 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.421 1.292 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.221 0.054 3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.107 0.248 0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.541 -1.437 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.569 -1.161 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.932 -2.926 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.486 -2.734 -1.374 1.00 0.00 H new ATOM 728 N GLY A 51 2.332 -2.333 4.859 1.00 0.00 N ATOM 729 CA GLY A 51 2.028 -3.740 5.112 1.00 0.00 C ATOM 730 C GLY A 51 0.569 -3.897 5.474 1.00 0.00 C ATOM 731 O GLY A 51 -0.172 -4.498 4.713 1.00 0.00 O ATOM 0 H GLY A 51 2.911 -1.898 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.258 -4.335 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.654 -4.116 5.921 1.00 0.00 H new ATOM 735 N GLU A 52 0.153 -3.329 6.596 1.00 0.00 N ATOM 736 CA GLU A 52 -1.160 -3.448 7.214 1.00 0.00 C ATOM 737 C GLU A 52 -2.285 -3.216 6.198 1.00 0.00 C ATOM 738 O GLU A 52 -3.307 -3.898 6.222 1.00 0.00 O ATOM 739 CB GLU A 52 -1.218 -2.431 8.351 1.00 0.00 C ATOM 740 CG GLU A 52 -0.290 -2.779 9.518 1.00 0.00 C ATOM 741 CD GLU A 52 -0.634 -3.986 10.384 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.689 -4.635 10.235 1.00 0.00 O ATOM 743 OE2 GLU A 52 0.111 -4.187 11.370 1.00 0.00 O ATOM 0 H GLU A 52 0.771 -2.727 7.140 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.306 -4.458 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.952 -1.447 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.242 -2.363 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.709 -2.936 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.236 -1.907 10.170 1.00 0.00 H new ATOM 750 N SER A 53 -2.095 -2.273 5.275 1.00 0.00 N ATOM 751 CA SER A 53 -3.027 -1.955 4.217 1.00 0.00 C ATOM 752 C SER A 53 -2.906 -2.916 3.038 1.00 0.00 C ATOM 753 O SER A 53 -3.867 -3.623 2.732 1.00 0.00 O ATOM 754 CB SER A 53 -2.787 -0.507 3.799 1.00 0.00 C ATOM 755 OG SER A 53 -2.953 0.329 4.929 1.00 0.00 O ATOM 0 H SER A 53 -1.255 -1.695 5.251 1.00 0.00 H new ATOM 0 HA SER A 53 -4.048 -2.070 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.783 -0.394 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.485 -0.221 3.012 1.00 0.00 H new ATOM 0 HG SER A 53 -3.118 1.249 4.634 1.00 0.00 H new ATOM 761 N ILE A 54 -1.782 -2.900 2.316 1.00 0.00 N ATOM 762 CA ILE A 54 -1.701 -3.589 1.033 1.00 0.00 C ATOM 763 C ILE A 54 -1.601 -5.087 1.296 1.00 0.00 C ATOM 764 O ILE A 54 -2.354 -5.861 0.711 1.00 0.00 O ATOM 765 CB ILE A 54 -0.515 -3.070 0.187 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.469 -1.530 0.114 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.518 -3.670 -1.238 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.745 -0.846 -0.386 1.00 0.00 C ATOM 0 H ILE A 54 -0.926 -2.422 2.597 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.599 -3.387 0.449 1.00 0.00 H new ATOM 0 HB ILE A 54 0.386 -3.405 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.239 -1.145 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.355 -1.241 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.331 -3.280 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.444 -4.756 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.444 -3.398 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.599 0.234 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.971 -1.191 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.574 -1.094 0.277 1.00 0.00 H new ATOM 780 N LEU A 55 -0.660 -5.479 2.150 1.00 0.00 N ATOM 781 CA LEU A 55 -0.234 -6.861 2.357 1.00 0.00 C ATOM 782 C LEU A 55 -0.901 -7.552 3.544 1.00 0.00 C ATOM 783 O LEU A 55 -0.740 -8.762 3.686 1.00 0.00 O ATOM 784 CB LEU A 55 1.284 -6.876 2.581 1.00 0.00 C ATOM 785 CG LEU A 55 2.099 -6.205 1.465 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.573 -6.556 1.662 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.683 -6.598 0.051 1.00 0.00 C ATOM 0 H LEU A 55 -0.154 -4.818 2.740 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.532 -7.413 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.504 -6.377 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.613 -7.910 2.683 1.00 0.00 H new ATOM 0 HG LEU A 55 1.912 -5.134 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.167 -6.087 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.906 -6.194 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.699 -7.638 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.312 -6.077 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.799 -7.674 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.641 -6.324 -0.111 1.00 0.00 H new ATOM 799 N GLY A 56 -1.579 -6.817 4.423 1.00 0.00 N ATOM 800 CA GLY A 56 -2.021 -7.321 5.714 1.00 0.00 C ATOM 801 C GLY A 56 -0.868 -7.924 6.528 1.00 0.00 C ATOM 802 O GLY A 56 -1.072 -8.950 7.182 1.00 0.00 O ATOM 0 H GLY A 56 -1.838 -5.845 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.478 -6.510 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.791 -8.078 5.562 1.00 0.00 H new ATOM 806 N LEU A 57 0.342 -7.345 6.474 1.00 0.00 N ATOM 807 CA LEU A 57 1.495 -7.769 7.273 1.00 0.00 C ATOM 808 C LEU A 57 1.852 -6.654 8.248 1.00 0.00 C ATOM 809 O LEU A 57 1.702 -5.480 7.916 1.00 0.00 O ATOM 810 CB LEU A 57 2.710 -8.029 6.368 1.00 0.00 C ATOM 811 CG LEU A 57 2.559 -9.242 5.439 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.689 -9.228 4.410 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.560 -10.572 6.195 1.00 0.00 C ATOM 0 H LEU A 57 0.547 -6.555 5.862 1.00 0.00 H new ATOM 0 HA LEU A 57 1.239 -8.686 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.892 -7.142 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.590 -8.173 6.994 1.00 0.00 H new ATOM 0 HG LEU A 57 1.590 -9.161 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.588 -10.087 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.637 -8.310 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.649 -9.277 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.450 -11.393 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.500 -10.682 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.730 -10.589 6.902 1.00 0.00 H new ATOM 825 N THR A 58 2.395 -7.009 9.410 1.00 0.00 N ATOM 826 CA THR A 58 2.797 -6.037 10.415 1.00 0.00 C ATOM 827 C THR A 58 4.298 -5.709 10.281 1.00 0.00 C ATOM 828 O THR A 58 4.995 -6.292 9.446 1.00 0.00 O ATOM 829 CB THR A 58 2.272 -6.510 11.778 1.00 0.00 C ATOM 830 OG1 THR A 58 1.998 -5.405 12.604 1.00 0.00 O ATOM 831 CG2 THR A 58 3.229 -7.450 12.485 1.00 0.00 C ATOM 0 H THR A 58 2.567 -7.978 9.678 1.00 0.00 H new ATOM 0 HA THR A 58 2.341 -5.057 10.274 1.00 0.00 H new ATOM 0 HB THR A 58 1.356 -7.068 11.583 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.125 -5.028 12.367 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.803 -7.750 13.443 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.393 -8.333 11.868 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.179 -6.943 12.653 1.00 0.00 H new ATOM 839 N GLN A 59 4.808 -4.739 11.052 1.00 0.00 N ATOM 840 CA GLN A 59 6.093 -4.099 10.784 1.00 0.00 C ATOM 841 C GLN A 59 7.250 -5.087 10.869 1.00 0.00 C ATOM 842 O GLN A 59 8.082 -5.069 9.970 1.00 0.00 O ATOM 843 CB GLN A 59 6.329 -2.886 11.703 1.00 0.00 C ATOM 844 CG GLN A 59 7.178 -1.777 11.041 1.00 0.00 C ATOM 845 CD GLN A 59 8.692 -1.979 11.104 1.00 0.00 C ATOM 846 OE1 GLN A 59 9.254 -2.262 12.157 1.00 0.00 O ATOM 847 NE2 GLN A 59 9.407 -1.750 10.016 1.00 0.00 N ATOM 0 H GLN A 59 4.335 -4.378 11.881 1.00 0.00 H new ATOM 0 HA GLN A 59 6.053 -3.732 9.758 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.366 -2.470 11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.826 -3.220 12.614 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.884 -1.694 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.936 -0.826 11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.941 -1.515 9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.425 -1.809 10.053 1.00 0.00 H new ATOM 856 N GLY A 60 7.312 -5.942 11.895 1.00 0.00 N ATOM 857 CA GLY A 60 8.401 -6.909 12.032 1.00 0.00 C ATOM 858 C GLY A 60 8.452 -7.889 10.855 1.00 0.00 C ATOM 859 O GLY A 60 9.529 -8.337 10.456 1.00 0.00 O ATOM 0 H GLY A 60 6.619 -5.982 12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.350 -6.378 12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.277 -7.465 12.961 1.00 0.00 H new ATOM 863 N SER A 61 7.295 -8.204 10.271 1.00 0.00 N ATOM 864 CA SER A 61 7.162 -9.116 9.149 1.00 0.00 C ATOM 865 C SER A 61 7.588 -8.432 7.851 1.00 0.00 C ATOM 866 O SER A 61 8.399 -8.974 7.097 1.00 0.00 O ATOM 867 CB SER A 61 5.707 -9.601 9.063 1.00 0.00 C ATOM 868 OG SER A 61 5.213 -9.921 10.355 1.00 0.00 O ATOM 0 H SER A 61 6.403 -7.817 10.579 1.00 0.00 H new ATOM 0 HA SER A 61 7.815 -9.976 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.086 -8.828 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.647 -10.477 8.417 1.00 0.00 H new ATOM 0 HG SER A 61 4.285 -10.227 10.284 1.00 0.00 H new ATOM 874 N VAL A 62 7.036 -7.245 7.583 1.00 0.00 N ATOM 875 CA VAL A 62 7.236 -6.521 6.334 1.00 0.00 C ATOM 876 C VAL A 62 8.625 -5.867 6.298 1.00 0.00 C ATOM 877 O VAL A 62 9.203 -5.719 5.221 1.00 0.00 O ATOM 878 CB VAL A 62 6.053 -5.540 6.142 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.365 -4.078 6.504 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.515 -5.619 4.717 1.00 0.00 C ATOM 0 H VAL A 62 6.429 -6.756 8.241 1.00 0.00 H new ATOM 0 HA VAL A 62 7.232 -7.198 5.480 1.00 0.00 H new ATOM 0 HB VAL A 62 5.294 -5.868 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.479 -3.465 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.657 -4.017 7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.180 -3.714 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.685 -4.922 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.307 -5.359 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.169 -6.633 4.514 1.00 0.00 H new ATOM 890 N SER A 63 9.195 -5.535 7.463 1.00 0.00 N ATOM 891 CA SER A 63 10.595 -5.184 7.634 1.00 0.00 C ATOM 892 C SER A 63 11.421 -6.280 6.988 1.00 0.00 C ATOM 893 O SER A 63 12.265 -5.990 6.140 1.00 0.00 O ATOM 894 CB SER A 63 10.919 -5.029 9.131 1.00 0.00 C ATOM 895 OG SER A 63 12.310 -4.905 9.388 1.00 0.00 O ATOM 0 H SER A 63 8.670 -5.505 8.337 1.00 0.00 H new ATOM 0 HA SER A 63 10.825 -4.230 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.404 -4.151 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.531 -5.892 9.672 1.00 0.00 H new ATOM 0 HG SER A 63 12.457 -4.808 10.352 1.00 0.00 H new ATOM 901 N ASP A 64 11.177 -7.531 7.379 1.00 0.00 N ATOM 902 CA ASP A 64 11.980 -8.648 6.920 1.00 0.00 C ATOM 903 C ASP A 64 11.751 -8.928 5.452 1.00 0.00 C ATOM 904 O ASP A 64 12.699 -9.259 4.746 1.00 0.00 O ATOM 905 CB ASP A 64 11.701 -9.902 7.748 1.00 0.00 C ATOM 906 CG ASP A 64 12.983 -10.221 8.495 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.917 -10.764 7.867 1.00 0.00 O ATOM 908 OD2 ASP A 64 13.079 -9.828 9.681 1.00 0.00 O ATOM 0 H ASP A 64 10.424 -7.790 8.016 1.00 0.00 H new ATOM 0 HA ASP A 64 13.026 -8.371 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.879 -9.732 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.409 -10.733 7.106 1.00 0.00 H new ATOM 913 N LEU A 65 10.516 -8.764 4.972 1.00 0.00 N ATOM 914 CA LEU A 65 10.206 -8.958 3.570 1.00 0.00 C ATOM 915 C LEU A 65 11.000 -7.988 2.703 1.00 0.00 C ATOM 916 O LEU A 65 11.617 -8.389 1.719 1.00 0.00 O ATOM 917 CB LEU A 65 8.698 -8.785 3.338 1.00 0.00 C ATOM 918 CG LEU A 65 8.265 -9.652 2.153 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.204 -11.117 2.598 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.914 -9.208 1.601 1.00 0.00 C ATOM 0 H LEU A 65 9.716 -8.496 5.545 1.00 0.00 H new ATOM 0 HA LEU A 65 10.490 -9.971 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.146 -9.071 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.467 -7.738 3.141 1.00 0.00 H new ATOM 0 HG LEU A 65 8.997 -9.540 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.896 -11.740 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.188 -11.434 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.484 -11.221 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.637 -9.845 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.158 -9.288 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.980 -8.173 1.265 1.00 0.00 H new ATOM 932 N LEU A 66 10.971 -6.705 3.069 1.00 0.00 N ATOM 933 CA LEU A 66 11.622 -5.641 2.319 1.00 0.00 C ATOM 934 C LEU A 66 13.136 -5.694 2.480 1.00 0.00 C ATOM 935 O LEU A 66 13.864 -5.404 1.535 1.00 0.00 O ATOM 936 CB LEU A 66 11.056 -4.280 2.761 1.00 0.00 C ATOM 937 CG LEU A 66 9.582 -4.070 2.354 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.052 -2.730 2.869 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.427 -4.130 0.837 1.00 0.00 C ATOM 0 H LEU A 66 10.488 -6.377 3.905 1.00 0.00 H new ATOM 0 HA LEU A 66 11.413 -5.780 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.142 -4.193 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.662 -3.484 2.328 1.00 0.00 H new ATOM 0 HG LEU A 66 9.000 -4.873 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.012 -2.610 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.119 -2.706 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.647 -1.918 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.380 -3.980 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.033 -3.349 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.756 -5.104 0.476 1.00 0.00 H new ATOM 951 N SER A 67 13.610 -6.073 3.660 1.00 0.00 N ATOM 952 CA SER A 67 15.027 -6.268 3.945 1.00 0.00 C ATOM 953 C SER A 67 15.589 -7.437 3.149 1.00 0.00 C ATOM 954 O SER A 67 16.492 -7.252 2.333 1.00 0.00 O ATOM 955 CB SER A 67 15.260 -6.479 5.443 1.00 0.00 C ATOM 956 OG SER A 67 14.861 -5.333 6.172 1.00 0.00 O ATOM 0 H SER A 67 13.008 -6.257 4.463 1.00 0.00 H new ATOM 0 HA SER A 67 15.554 -5.364 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.699 -7.349 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.314 -6.686 5.628 1.00 0.00 H new ATOM 0 HG SER A 67 13.891 -5.354 6.309 1.00 0.00 H new ATOM 962 N ARG A 68 15.094 -8.647 3.406 1.00 0.00 N ATOM 963 CA ARG A 68 15.666 -9.888 2.911 1.00 0.00 C ATOM 964 C ARG A 68 14.555 -10.651 2.197 1.00 0.00 C ATOM 965 O ARG A 68 14.006 -11.596 2.778 1.00 0.00 O ATOM 966 CB ARG A 68 16.335 -10.669 4.063 1.00 0.00 C ATOM 967 CG ARG A 68 17.439 -9.839 4.747 1.00 0.00 C ATOM 968 CD ARG A 68 18.521 -10.694 5.414 1.00 0.00 C ATOM 969 NE ARG A 68 18.136 -11.208 6.739 1.00 0.00 N ATOM 970 CZ ARG A 68 19.008 -11.696 7.632 1.00 0.00 C ATOM 971 NH1 ARG A 68 20.278 -11.901 7.307 1.00 0.00 N ATOM 972 NH2 ARG A 68 18.613 -11.967 8.865 1.00 0.00 N ATOM 0 H ARG A 68 14.263 -8.790 3.979 1.00 0.00 H new ATOM 0 HA ARG A 68 16.466 -9.711 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.581 -10.949 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.762 -11.594 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.906 -9.189 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.984 -9.192 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.760 -11.535 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.430 -10.101 5.514 1.00 0.00 H new ATOM 0 HE ARG A 68 17.148 -11.192 6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.604 -11.686 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.928 -12.273 7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.644 -11.805 9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.278 -12.338 9.544 1.00 0.00 H new ATOM 986 N PRO A 69 14.211 -10.277 0.951 1.00 0.00 N ATOM 987 CA PRO A 69 13.290 -11.063 0.148 1.00 0.00 C ATOM 988 C PRO A 69 13.896 -12.444 -0.077 1.00 0.00 C ATOM 989 O PRO A 69 15.113 -12.587 -0.252 1.00 0.00 O ATOM 990 CB PRO A 69 13.132 -10.320 -1.180 1.00 0.00 C ATOM 991 CG PRO A 69 14.383 -9.459 -1.278 1.00 0.00 C ATOM 992 CD PRO A 69 14.734 -9.157 0.177 1.00 0.00 C ATOM 0 HA PRO A 69 12.321 -11.189 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 69 13.059 -11.013 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.228 -9.711 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.192 -9.986 -1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.196 -8.545 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.812 -9.061 0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.288 -8.216 0.500 1.00 0.00 H new ATOM 1000 N LYS A 70 13.040 -13.458 -0.131 1.00 0.00 N ATOM 1001 CA LYS A 70 13.409 -14.753 -0.688 1.00 0.00 C ATOM 1002 C LYS A 70 13.067 -14.725 -2.184 1.00 0.00 C ATOM 1003 O LYS A 70 12.239 -13.908 -2.600 1.00 0.00 O ATOM 1004 CB LYS A 70 12.751 -15.862 0.152 1.00 0.00 C ATOM 1005 CG LYS A 70 13.653 -16.080 1.387 1.00 0.00 C ATOM 1006 CD LYS A 70 12.989 -16.777 2.579 1.00 0.00 C ATOM 1007 CE LYS A 70 12.155 -15.755 3.362 1.00 0.00 C ATOM 1008 NZ LYS A 70 11.729 -16.263 4.682 1.00 0.00 N ATOM 0 H LYS A 70 12.079 -13.407 0.207 1.00 0.00 H new ATOM 0 HA LYS A 70 14.475 -14.973 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.745 -15.572 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.658 -16.781 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.519 -16.667 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.026 -15.111 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.354 -17.592 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.747 -17.218 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.737 -14.844 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.274 -15.486 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.169 -15.535 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.150 -17.117 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.568 -16.495 5.252 1.00 0.00 H new ATOM 1022 N PRO A 71 13.733 -15.539 -3.012 1.00 0.00 N ATOM 1023 CA PRO A 71 13.608 -15.433 -4.462 1.00 0.00 C ATOM 1024 C PRO A 71 12.266 -15.999 -4.925 1.00 0.00 C ATOM 1025 O PRO A 71 11.657 -16.816 -4.224 1.00 0.00 O ATOM 1026 CB PRO A 71 14.801 -16.219 -5.008 1.00 0.00 C ATOM 1027 CG PRO A 71 15.052 -17.270 -3.951 1.00 0.00 C ATOM 1028 CD PRO A 71 14.714 -16.552 -2.649 1.00 0.00 C ATOM 0 HA PRO A 71 13.621 -14.404 -4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.575 -16.669 -5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.671 -15.578 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.423 -18.148 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.087 -17.613 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.309 -17.245 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.602 -16.099 -2.208 1.00 0.00 H new ATOM 1036 N TRP A 72 11.832 -15.625 -6.131 1.00 0.00 N ATOM 1037 CA TRP A 72 10.587 -16.118 -6.711 1.00 0.00 C ATOM 1038 C TRP A 72 10.590 -17.652 -6.776 1.00 0.00 C ATOM 1039 O TRP A 72 9.577 -18.273 -6.455 1.00 0.00 O ATOM 1040 CB TRP A 72 10.362 -15.465 -8.083 1.00 0.00 C ATOM 1041 CG TRP A 72 9.038 -15.742 -8.735 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.799 -16.681 -9.674 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.770 -15.044 -8.566 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.486 -16.627 -10.087 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.798 -15.633 -9.429 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.361 -13.934 -7.804 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.479 -15.163 -9.500 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.029 -13.476 -7.835 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.091 -14.092 -8.683 1.00 0.00 C ATOM 0 H TRP A 72 12.336 -14.972 -6.731 1.00 0.00 H new ATOM 0 HA TRP A 72 9.748 -15.838 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.471 -14.386 -7.972 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.152 -15.798 -8.756 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.534 -17.377 -10.049 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.077 -17.243 -10.789 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.082 -13.423 -7.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.771 -15.620 -10.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.728 -12.651 -7.207 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.070 -13.739 -8.705 1.00 0.00 H new ATOM 1060 N HIS A 73 11.728 -18.284 -7.092 1.00 0.00 N ATOM 1061 CA HIS A 73 11.833 -19.742 -7.138 1.00 0.00 C ATOM 1062 C HIS A 73 11.614 -20.432 -5.783 1.00 0.00 C ATOM 1063 O HIS A 73 11.281 -21.618 -5.761 1.00 0.00 O ATOM 1064 CB HIS A 73 13.179 -20.178 -7.740 1.00 0.00 C ATOM 1065 CG HIS A 73 14.360 -20.216 -6.798 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.339 -19.259 -6.663 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.700 -21.266 -5.985 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.222 -19.706 -5.753 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.884 -20.932 -5.326 1.00 0.00 N ATOM 0 H HIS A 73 12.596 -17.799 -7.321 1.00 0.00 H new ATOM 0 HA HIS A 73 11.017 -20.068 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.054 -21.172 -8.170 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.420 -19.503 -8.561 1.00 0.00 H new ATOM 0 HD1 HIS A 73 15.386 -18.371 -7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.149 -22.188 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.085 -19.154 -5.412 1.00 0.00 H new ATOM 1077 N LYS A 74 11.847 -19.742 -4.660 1.00 0.00 N ATOM 1078 CA LYS A 74 11.683 -20.292 -3.308 1.00 0.00 C ATOM 1079 C LYS A 74 10.255 -20.091 -2.832 1.00 0.00 C ATOM 1080 O LYS A 74 9.717 -20.932 -2.112 1.00 0.00 O ATOM 1081 CB LYS A 74 12.647 -19.588 -2.337 1.00 0.00 C ATOM 1082 CG LYS A 74 14.085 -20.105 -2.484 1.00 0.00 C ATOM 1083 CD LYS A 74 14.494 -21.228 -1.543 1.00 0.00 C ATOM 1084 CE LYS A 74 15.959 -21.596 -1.839 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.596 -22.382 -0.759 1.00 0.00 N ATOM 0 H LYS A 74 12.160 -18.771 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 74 11.907 -21.358 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.627 -18.514 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.308 -19.743 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.222 -20.450 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.767 -19.268 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.384 -20.913 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.849 -22.095 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.003 -22.166 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.531 -20.682 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.580 -22.597 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.584 -21.832 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.073 -23.270 -0.621 1.00 0.00 H new ATOM 1099 N LEU A 75 9.659 -18.947 -3.158 1.00 0.00 N ATOM 1100 CA LEU A 75 8.338 -18.577 -2.682 1.00 0.00 C ATOM 1101 C LEU A 75 7.310 -19.349 -3.500 1.00 0.00 C ATOM 1102 O LEU A 75 7.394 -19.369 -4.723 1.00 0.00 O ATOM 1103 CB LEU A 75 8.153 -17.061 -2.847 1.00 0.00 C ATOM 1104 CG LEU A 75 9.041 -16.229 -1.903 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.093 -14.793 -2.406 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.514 -16.234 -0.464 1.00 0.00 C ATOM 0 H LEU A 75 10.087 -18.248 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 75 8.214 -18.822 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.374 -16.786 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.108 -16.808 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 75 10.035 -16.677 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.720 -14.198 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.510 -14.775 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.086 -14.377 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.171 -15.635 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.509 -15.813 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.487 -17.257 -0.090 1.00 0.00 H new ATOM 1118 N SER A 76 6.322 -19.958 -2.852 1.00 0.00 N ATOM 1119 CA SER A 76 5.163 -20.556 -3.517 1.00 0.00 C ATOM 1120 C SER A 76 4.090 -19.481 -3.758 1.00 0.00 C ATOM 1121 O SER A 76 4.324 -18.327 -3.421 1.00 0.00 O ATOM 1122 CB SER A 76 4.646 -21.685 -2.626 1.00 0.00 C ATOM 1123 OG SER A 76 5.701 -22.559 -2.261 1.00 0.00 O ATOM 0 H SER A 76 6.301 -20.053 -1.837 1.00 0.00 H new ATOM 0 HA SER A 76 5.433 -20.964 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.187 -21.267 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.870 -22.243 -3.151 1.00 0.00 H new ATOM 0 HG SER A 76 5.351 -23.274 -1.690 1.00 0.00 H new ATOM 1129 N LEU A 77 2.895 -19.801 -4.275 1.00 0.00 N ATOM 1130 CA LEU A 77 1.823 -18.815 -4.518 1.00 0.00 C ATOM 1131 C LEU A 77 1.559 -17.947 -3.282 1.00 0.00 C ATOM 1132 O LEU A 77 1.648 -16.725 -3.324 1.00 0.00 O ATOM 1133 CB LEU A 77 0.505 -19.483 -4.950 1.00 0.00 C ATOM 1134 CG LEU A 77 0.550 -20.301 -6.250 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.867 -20.767 -6.577 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.097 -19.507 -7.436 1.00 0.00 C ATOM 0 H LEU A 77 2.640 -20.753 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 77 2.180 -18.183 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.174 -20.139 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.252 -18.706 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 77 1.225 -21.142 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.855 -21.350 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.244 -21.384 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.515 -19.900 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.104 -20.138 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.465 -18.637 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.113 -19.178 -7.216 1.00 0.00 H new ATOM 1148 N LYS A 78 1.273 -18.592 -2.155 1.00 0.00 N ATOM 1149 CA LYS A 78 1.120 -17.976 -0.839 1.00 0.00 C ATOM 1150 C LYS A 78 2.359 -17.188 -0.379 1.00 0.00 C ATOM 1151 O LYS A 78 2.244 -16.237 0.394 1.00 0.00 O ATOM 1152 CB LYS A 78 0.677 -19.014 0.200 1.00 0.00 C ATOM 1153 CG LYS A 78 1.448 -20.340 0.230 1.00 0.00 C ATOM 1154 CD LYS A 78 1.034 -21.320 -0.879 1.00 0.00 C ATOM 1155 CE LYS A 78 1.395 -22.769 -0.549 1.00 0.00 C ATOM 1156 NZ LYS A 78 0.493 -23.361 0.456 1.00 0.00 N ATOM 0 H LYS A 78 1.135 -19.602 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 78 0.330 -17.231 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.749 -18.558 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.376 -19.238 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.514 -20.132 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.297 -20.816 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.041 -21.245 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.518 -21.032 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.359 -23.366 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.420 -22.810 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.737 -24.362 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.595 -22.852 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.491 -23.287 0.126 1.00 0.00 H new ATOM 1170 N GLY A 79 3.541 -17.571 -0.854 1.00 0.00 N ATOM 1171 CA GLY A 79 4.802 -16.848 -0.728 1.00 0.00 C ATOM 1172 C GLY A 79 4.837 -15.566 -1.551 1.00 0.00 C ATOM 1173 O GLY A 79 5.376 -14.553 -1.115 1.00 0.00 O ATOM 0 H GLY A 79 3.650 -18.446 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.972 -16.605 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.620 -17.497 -1.041 1.00 0.00 H new ATOM 1177 N ARG A 80 4.308 -15.628 -2.768 1.00 0.00 N ATOM 1178 CA ARG A 80 4.436 -14.609 -3.800 1.00 0.00 C ATOM 1179 C ARG A 80 3.327 -13.572 -3.718 1.00 0.00 C ATOM 1180 O ARG A 80 3.521 -12.461 -4.197 1.00 0.00 O ATOM 1181 CB ARG A 80 4.409 -15.307 -5.162 1.00 0.00 C ATOM 1182 CG ARG A 80 5.624 -16.206 -5.417 1.00 0.00 C ATOM 1183 CD ARG A 80 5.284 -17.194 -6.537 1.00 0.00 C ATOM 1184 NE ARG A 80 6.433 -18.032 -6.890 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.560 -18.817 -7.960 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.601 -18.850 -8.879 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.647 -19.564 -8.087 1.00 0.00 N ATOM 0 H ARG A 80 3.753 -16.427 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 80 5.376 -14.076 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.502 -15.907 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.356 -14.552 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.488 -15.602 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.892 -16.744 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.454 -17.828 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.950 -16.645 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 80 7.223 -18.013 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.767 -18.274 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.699 -19.451 -9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.373 -19.534 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.758 -20.169 -8.900 1.00 0.00 H new ATOM 1201 N GLU A 81 2.220 -13.906 -3.051 1.00 0.00 N ATOM 1202 CA GLU A 81 1.064 -13.063 -2.754 1.00 0.00 C ATOM 1203 C GLU A 81 1.472 -11.604 -2.520 1.00 0.00 C ATOM 1204 O GLU A 81 1.004 -10.742 -3.271 1.00 0.00 O ATOM 1205 CB GLU A 81 0.350 -13.623 -1.501 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.083 -14.123 -1.647 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.544 -14.834 -0.359 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.065 -14.484 0.749 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.408 -15.735 -0.415 1.00 0.00 O ATOM 0 H GLU A 81 2.101 -14.847 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 81 0.391 -13.078 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.952 -14.446 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.354 -12.843 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.746 -13.285 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.150 -14.809 -2.491 1.00 0.00 H new ATOM 1216 N PRO A 82 2.343 -11.296 -1.537 1.00 0.00 N ATOM 1217 CA PRO A 82 2.637 -9.915 -1.235 1.00 0.00 C ATOM 1218 C PRO A 82 3.431 -9.252 -2.358 1.00 0.00 C ATOM 1219 O PRO A 82 3.092 -8.144 -2.753 1.00 0.00 O ATOM 1220 CB PRO A 82 3.422 -9.925 0.080 1.00 0.00 C ATOM 1221 CG PRO A 82 4.014 -11.326 0.171 1.00 0.00 C ATOM 1222 CD PRO A 82 3.006 -12.182 -0.584 1.00 0.00 C ATOM 0 HA PRO A 82 1.722 -9.331 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.203 -9.165 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.773 -9.714 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.004 -11.375 -0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.122 -11.651 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.503 -13.004 -1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.283 -12.626 0.101 1.00 0.00 H new ATOM 1230 N PHE A 83 4.464 -9.911 -2.892 1.00 0.00 N ATOM 1231 CA PHE A 83 5.327 -9.339 -3.921 1.00 0.00 C ATOM 1232 C PHE A 83 4.555 -9.054 -5.210 1.00 0.00 C ATOM 1233 O PHE A 83 4.840 -8.053 -5.868 1.00 0.00 O ATOM 1234 CB PHE A 83 6.522 -10.256 -4.188 1.00 0.00 C ATOM 1235 CG PHE A 83 7.390 -10.558 -2.986 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.103 -11.662 -2.162 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.501 -9.745 -2.701 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.916 -11.947 -1.054 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.305 -10.026 -1.584 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.025 -11.135 -0.771 1.00 0.00 C ATOM 0 H PHE A 83 4.723 -10.859 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 83 5.700 -8.384 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.152 -11.198 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.144 -9.800 -4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.254 -12.292 -2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.736 -8.906 -3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.688 -12.791 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.143 -9.386 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.662 -11.363 0.071 1.00 0.00 H new ATOM 1250 N VAL A 84 3.562 -9.881 -5.552 1.00 0.00 N ATOM 1251 CA VAL A 84 2.622 -9.567 -6.620 1.00 0.00 C ATOM 1252 C VAL A 84 1.884 -8.285 -6.255 1.00 0.00 C ATOM 1253 O VAL A 84 1.887 -7.350 -7.058 1.00 0.00 O ATOM 1254 CB VAL A 84 1.679 -10.753 -6.903 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.609 -10.426 -7.956 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.497 -11.942 -7.423 1.00 0.00 C ATOM 0 H VAL A 84 3.392 -10.778 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 84 3.156 -9.397 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 84 1.178 -10.985 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.025 -11.298 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.001 -9.592 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.093 -10.155 -8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.831 -12.782 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.009 -11.657 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.233 -12.233 -6.673 1.00 0.00 H new ATOM 1266 N ARG A 85 1.293 -8.186 -5.053 1.00 0.00 N ATOM 1267 CA ARG A 85 0.569 -6.983 -4.700 1.00 0.00 C ATOM 1268 C ARG A 85 1.485 -5.763 -4.775 1.00 0.00 C ATOM 1269 O ARG A 85 1.056 -4.759 -5.329 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.082 -7.079 -3.316 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.436 -7.793 -3.363 1.00 0.00 C ATOM 1272 CD ARG A 85 -2.185 -7.588 -2.042 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.640 -7.493 -2.281 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.418 -6.402 -2.184 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.020 -5.321 -1.525 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.610 -6.394 -2.762 1.00 0.00 N ATOM 0 H ARG A 85 1.308 -8.911 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.235 -6.870 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.585 -7.612 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.215 -6.077 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.031 -7.407 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.289 -8.858 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.975 -8.417 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.831 -6.680 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.109 -8.357 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.104 -5.305 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.630 -4.506 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.933 -7.213 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.205 -5.569 -2.692 1.00 0.00 H new ATOM 1290 N MET A 86 2.722 -5.829 -4.270 1.00 0.00 N ATOM 1291 CA MET A 86 3.714 -4.775 -4.335 1.00 0.00 C ATOM 1292 C MET A 86 3.982 -4.333 -5.765 1.00 0.00 C ATOM 1293 O MET A 86 3.988 -3.133 -6.020 1.00 0.00 O ATOM 1294 CB MET A 86 5.004 -5.290 -3.695 1.00 0.00 C ATOM 1295 CG MET A 86 4.857 -5.387 -2.178 1.00 0.00 C ATOM 1296 SD MET A 86 5.529 -6.824 -1.302 1.00 0.00 S ATOM 1297 CE MET A 86 7.243 -6.783 -1.824 1.00 0.00 C ATOM 0 H MET A 86 3.064 -6.659 -3.786 1.00 0.00 H new ATOM 0 HA MET A 86 3.337 -3.905 -3.798 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.252 -6.269 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.830 -4.623 -3.943 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.319 -4.498 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.792 -5.335 -1.950 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.833 -7.441 -1.186 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.316 -7.119 -2.858 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.623 -5.764 -1.745 1.00 0.00 H new ATOM 1307 N GLN A 87 4.222 -5.271 -6.682 1.00 0.00 N ATOM 1308 CA GLN A 87 4.450 -4.945 -8.082 1.00 0.00 C ATOM 1309 C GLN A 87 3.265 -4.136 -8.626 1.00 0.00 C ATOM 1310 O GLN A 87 3.468 -3.101 -9.258 1.00 0.00 O ATOM 1311 CB GLN A 87 4.700 -6.213 -8.905 1.00 0.00 C ATOM 1312 CG GLN A 87 5.093 -5.894 -10.357 1.00 0.00 C ATOM 1313 CD GLN A 87 6.496 -5.293 -10.503 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.790 -4.179 -10.076 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.407 -6.022 -11.115 1.00 0.00 N ATOM 0 H GLN A 87 4.263 -6.269 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 87 5.347 -4.331 -8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.491 -6.798 -8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.802 -6.830 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.037 -6.808 -10.948 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.365 -5.199 -10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.166 -6.947 -11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.354 -5.661 -11.233 1.00 0.00 H new ATOM 1324 N LEU A 88 2.028 -4.585 -8.395 1.00 0.00 N ATOM 1325 CA LEU A 88 0.862 -3.886 -8.932 1.00 0.00 C ATOM 1326 C LEU A 88 0.568 -2.588 -8.183 1.00 0.00 C ATOM 1327 O LEU A 88 0.131 -1.631 -8.814 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.381 -4.786 -8.978 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.449 -5.780 -10.157 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.177 -5.140 -11.526 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.494 -6.970 -9.961 1.00 0.00 C ATOM 0 H LEU A 88 1.812 -5.418 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 88 1.115 -3.620 -9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.431 -5.352 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.266 -4.150 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.481 -6.130 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.243 -5.901 -12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.916 -4.362 -11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.821 -4.702 -11.531 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.413 -7.643 -10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.520 -6.611 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.222 -7.504 -9.051 1.00 0.00 H new ATOM 1343 N TRP A 89 0.880 -2.497 -6.888 1.00 0.00 N ATOM 1344 CA TRP A 89 0.774 -1.263 -6.128 1.00 0.00 C ATOM 1345 C TRP A 89 1.727 -0.245 -6.736 1.00 0.00 C ATOM 1346 O TRP A 89 1.361 0.904 -6.932 1.00 0.00 O ATOM 1347 CB TRP A 89 1.078 -1.535 -4.649 1.00 0.00 C ATOM 1348 CG TRP A 89 0.961 -0.345 -3.751 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.177 0.088 -3.168 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.996 0.590 -3.330 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.068 1.244 -2.457 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.405 1.575 -2.483 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.379 0.691 -3.576 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.151 2.607 -1.897 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.144 1.718 -2.989 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.534 2.670 -2.149 1.00 0.00 C ATOM 0 H TRP A 89 1.216 -3.288 -6.339 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.238 -0.860 -6.175 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.400 -2.310 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.089 -1.934 -4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.138 -0.399 -3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.649 1.785 -1.974 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.859 -0.028 -4.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.673 3.340 -1.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.205 1.776 -3.184 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.129 3.450 -1.697 1.00 0.00 H new ATOM 1367 N LEU A 90 2.938 -0.658 -7.111 1.00 0.00 N ATOM 1368 CA LEU A 90 3.871 0.212 -7.810 1.00 0.00 C ATOM 1369 C LEU A 90 3.331 0.649 -9.180 1.00 0.00 C ATOM 1370 O LEU A 90 3.775 1.664 -9.698 1.00 0.00 O ATOM 1371 CB LEU A 90 5.216 -0.500 -7.988 1.00 0.00 C ATOM 1372 CG LEU A 90 6.034 -0.603 -6.690 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.148 -1.630 -6.921 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.587 0.765 -6.271 1.00 0.00 C ATOM 0 H LEU A 90 3.293 -1.598 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 90 4.003 1.108 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.038 -1.503 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.803 0.032 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 90 5.400 -0.932 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.748 -1.726 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.707 -2.596 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.783 -1.300 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.161 0.659 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.233 1.153 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.761 1.457 -6.106 1.00 0.00 H new ATOM 1386 N ASN A 91 2.429 -0.106 -9.818 1.00 0.00 N ATOM 1387 CA ASN A 91 1.879 0.231 -11.138 1.00 0.00 C ATOM 1388 C ASN A 91 0.659 1.153 -11.040 1.00 0.00 C ATOM 1389 O ASN A 91 0.149 1.575 -12.083 1.00 0.00 O ATOM 1390 CB ASN A 91 1.482 -1.038 -11.925 1.00 0.00 C ATOM 1391 CG ASN A 91 2.640 -1.734 -12.622 1.00 0.00 C ATOM 1392 OD1 ASN A 91 2.650 -1.894 -13.841 1.00 0.00 O ATOM 1393 ND2 ASN A 91 3.629 -2.217 -11.893 1.00 0.00 N ATOM 0 H ASN A 91 2.057 -0.974 -9.431 1.00 0.00 H new ATOM 0 HA ASN A 91 2.673 0.756 -11.668 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.010 -1.742 -11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.734 -0.769 -12.671 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.395 -2.719 -12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.627 -2.088 -10.881 1.00 0.00 H new ATOM 1400 N ASP A 92 0.134 1.427 -9.848 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.031 2.291 -9.653 1.00 0.00 C ATOM 1402 C ASP A 92 -0.559 3.741 -9.499 1.00 0.00 C ATOM 1403 O ASP A 92 0.488 3.955 -8.894 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.796 1.853 -8.393 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.047 1.040 -8.684 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.858 1.441 -9.545 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.297 0.057 -7.949 1.00 0.00 O ATOM 0 H ASP A 92 0.510 1.051 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.695 2.213 -10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.130 1.264 -7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.075 2.739 -7.823 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.305 4.747 -9.991 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.945 6.151 -9.823 1.00 0.00 C ATOM 1414 C PRO A 93 -1.300 6.633 -8.412 1.00 0.00 C ATOM 1415 O PRO A 93 -0.451 7.136 -7.684 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.731 6.891 -10.906 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.974 6.028 -11.130 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.532 4.615 -10.764 1.00 0.00 C ATOM 0 HA PRO A 93 0.125 6.328 -9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.999 7.898 -10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.148 6.993 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.804 6.358 -10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.313 6.082 -12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.302 4.107 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.362 4.018 -11.660 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.551 6.426 -7.987 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.072 6.797 -6.677 1.00 0.00 C ATOM 1428 C HIS A 94 -2.566 5.859 -5.564 1.00 0.00 C ATOM 1429 O HIS A 94 -3.200 5.747 -4.514 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.607 6.785 -6.752 1.00 0.00 C ATOM 1431 CG HIS A 94 -5.184 7.802 -7.705 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.203 9.163 -7.512 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.828 7.548 -8.887 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.898 9.713 -8.517 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.314 8.765 -9.376 1.00 0.00 N ATOM 0 H HIS A 94 -3.253 5.976 -8.575 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.714 7.794 -6.419 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.938 5.791 -7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.010 6.966 -5.756 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.765 9.666 -6.740 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.940 6.582 -9.357 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.096 10.769 -8.623 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.486 5.110 -5.792 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.990 4.064 -4.902 1.00 0.00 C ATOM 1445 C ASN A 95 -0.581 4.626 -3.543 1.00 0.00 C ATOM 1446 O ASN A 95 -1.118 4.218 -2.513 1.00 0.00 O ATOM 1447 CB ASN A 95 0.148 3.277 -5.580 1.00 0.00 C ATOM 1448 CG ASN A 95 1.417 4.048 -5.950 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.414 5.268 -6.061 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.529 3.360 -6.134 1.00 0.00 N ATOM 0 H ASN A 95 -0.915 5.220 -6.630 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.803 3.364 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.432 2.459 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.250 2.827 -6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.395 3.844 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.522 2.344 -6.039 1.00 0.00 H new ATOM 1457 N VAL A 96 0.340 5.581 -3.533 1.00 0.00 N ATOM 1458 CA VAL A 96 0.808 6.308 -2.372 1.00 0.00 C ATOM 1459 C VAL A 96 -0.330 7.181 -1.837 1.00 0.00 C ATOM 1460 O VAL A 96 -0.451 7.375 -0.630 1.00 0.00 O ATOM 1461 CB VAL A 96 2.019 7.137 -2.842 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.576 8.026 -1.740 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.179 6.238 -3.295 1.00 0.00 C ATOM 0 H VAL A 96 0.805 5.883 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 96 1.111 5.654 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 96 1.642 7.742 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.428 8.589 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.803 8.719 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.897 7.408 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.015 6.858 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.496 5.607 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.851 5.610 -4.123 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.174 7.698 -2.726 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.221 8.655 -2.396 1.00 0.00 C ATOM 1475 C GLU A 97 -3.293 8.036 -1.499 1.00 0.00 C ATOM 1476 O GLU A 97 -3.533 8.528 -0.393 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.832 9.227 -3.674 1.00 0.00 C ATOM 1478 CG GLU A 97 -1.773 9.920 -4.540 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.453 11.005 -5.359 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -2.519 12.144 -4.844 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -3.029 10.685 -6.423 1.00 0.00 O ATOM 0 H GLU A 97 -1.147 7.457 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.768 9.470 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.303 8.426 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.616 9.939 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.994 10.352 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.289 9.197 -5.197 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.943 6.956 -1.948 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.919 6.233 -1.149 1.00 0.00 C ATOM 1490 C LYS A 98 -4.236 5.637 0.088 1.00 0.00 C ATOM 1491 O LYS A 98 -4.827 5.658 1.164 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.580 5.155 -2.028 1.00 0.00 C ATOM 1493 CG LYS A 98 -7.111 5.238 -2.096 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.739 6.015 -3.275 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.892 5.137 -4.538 1.00 0.00 C ATOM 1496 NZ LYS A 98 -9.080 5.484 -5.362 1.00 0.00 N ATOM 0 H LYS A 98 -3.801 6.564 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.700 6.905 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.180 5.233 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.299 4.173 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.501 4.220 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.463 5.692 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.717 6.395 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.119 6.880 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.995 5.235 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.961 4.091 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.122 4.858 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.943 5.365 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.007 6.472 -5.678 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.979 5.177 -0.027 1.00 0.00 N ATOM 1511 CA LEU A 99 -2.207 4.700 1.120 1.00 0.00 C ATOM 1512 C LEU A 99 -2.101 5.780 2.198 1.00 0.00 C ATOM 1513 O LEU A 99 -2.299 5.475 3.371 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.810 4.214 0.690 1.00 0.00 C ATOM 1515 CG LEU A 99 0.064 3.732 1.865 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.490 2.454 2.481 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.479 3.407 1.399 1.00 0.00 C ATOM 0 H LEU A 99 -2.477 5.128 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.739 3.849 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.922 3.400 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.295 5.024 0.174 1.00 0.00 H new ATOM 0 HG LEU A 99 0.067 4.543 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.149 2.141 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.498 2.636 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.518 1.669 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.073 3.070 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.442 2.620 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.934 4.299 0.969 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.794 7.033 1.843 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.698 8.102 2.837 1.00 0.00 C ATOM 1531 C ARG A 100 -3.018 8.303 3.560 1.00 0.00 C ATOM 1532 O ARG A 100 -3.027 8.568 4.767 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.302 9.441 2.191 1.00 0.00 C ATOM 1534 CG ARG A 100 0.209 9.629 2.165 1.00 0.00 C ATOM 1535 CD ARG A 100 0.566 11.078 1.829 1.00 0.00 C ATOM 1536 NE ARG A 100 1.985 11.306 2.114 1.00 0.00 N ATOM 1537 CZ ARG A 100 2.521 11.735 3.260 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.753 12.168 4.253 1.00 0.00 N ATOM 1539 NH2 ARG A 100 3.836 11.719 3.432 1.00 0.00 N ATOM 0 H ARG A 100 -1.610 7.327 0.884 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.929 7.793 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.692 9.484 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.761 10.261 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.631 9.360 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.651 8.959 1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.357 11.282 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.049 11.761 2.415 1.00 0.00 H new ATOM 0 HE ARG A 100 2.636 11.116 1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.739 12.176 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.178 12.492 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.444 11.378 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.240 12.048 4.309 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.117 8.205 2.820 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.454 8.529 3.298 1.00 0.00 C ATOM 1555 C ASP A 101 -5.910 7.605 4.428 1.00 0.00 C ATOM 1556 O ASP A 101 -6.744 8.002 5.237 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.427 8.515 2.109 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.516 9.549 2.351 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.219 10.761 2.257 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.654 9.191 2.724 1.00 0.00 O ATOM 0 H ASP A 101 -4.102 7.891 1.850 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.438 9.529 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.895 8.737 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.867 7.524 1.994 1.00 0.00 H new