USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=16 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 58 THR OG1 : rot 180:sc= 0.59 USER MOD Set 1.2: A 61 SER OG : rot 87:sc= 0.226 USER MOD Single : A 18 GLN : amide:sc=-0.00388 K(o=-0.0039,f=-3) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 55:sc= 0.21 USER MOD Single : A 29 THR OG1 : rot 169:sc= 1.1 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 -16:sc= 0.97 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= 0 (180deg=-3.68e-05) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 43 ASN : amide:sc= -2.47 K(o=-2.5,f=-7.5!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.051) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.963 X(o=-0.96,f=-0.89) 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=-0.00697) USER MOD Single : A 86 MET CE :methyl 179:sc= -0.867 (180deg=-0.892) USER MOD Single : A 87 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.7) USER MOD Single : A 91 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.089) USER MOD Single : A 95 ASN : amide:sc= -0.442 K(o=-0.44,f=-7.6!) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0.25 (180deg=0.128) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.489 -13.490 -4.998 1.00 0.00 N ATOM 172 CA ILE A 17 -5.150 -12.966 -5.243 1.00 0.00 C ATOM 173 C ILE A 17 -4.238 -14.100 -5.720 1.00 0.00 C ATOM 174 O ILE A 17 -3.479 -13.904 -6.665 1.00 0.00 O ATOM 175 CB ILE A 17 -4.637 -12.198 -3.993 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.176 -11.707 -4.074 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.778 -13.011 -2.697 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.914 -10.592 -5.074 1.00 0.00 C ATOM 0 HA ILE A 17 -5.159 -12.230 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.288 -11.324 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.871 -11.364 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.540 -12.555 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.404 -12.425 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.828 -13.253 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.202 -13.933 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.858 -10.323 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.180 -10.931 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.516 -9.721 -4.814 1.00 0.00 H new ATOM 190 N GLN A 18 -4.339 -15.298 -5.130 1.00 0.00 N ATOM 191 CA GLN A 18 -3.484 -16.414 -5.505 1.00 0.00 C ATOM 192 C GLN A 18 -3.693 -16.843 -6.963 1.00 0.00 C ATOM 193 O GLN A 18 -2.713 -17.197 -7.606 1.00 0.00 O ATOM 194 CB GLN A 18 -3.672 -17.603 -4.558 1.00 0.00 C ATOM 195 CG GLN A 18 -2.972 -17.375 -3.210 1.00 0.00 C ATOM 196 CD GLN A 18 -2.932 -18.658 -2.385 1.00 0.00 C ATOM 197 OE1 GLN A 18 -1.886 -19.281 -2.211 1.00 0.00 O ATOM 198 NE2 GLN A 18 -4.080 -19.106 -1.908 1.00 0.00 N ATOM 0 H GLN A 18 -5.008 -15.512 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.456 -16.063 -5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.736 -17.770 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.277 -18.505 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.957 -17.017 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.494 -16.597 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.938 -18.576 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.108 -19.982 -1.386 1.00 0.00 H new ATOM 207 N GLU A 19 -4.914 -16.789 -7.502 1.00 0.00 N ATOM 208 CA GLU A 19 -5.209 -17.126 -8.894 1.00 0.00 C ATOM 209 C GLU A 19 -4.509 -16.148 -9.843 1.00 0.00 C ATOM 210 O GLU A 19 -4.019 -16.547 -10.899 1.00 0.00 O ATOM 211 CB GLU A 19 -6.733 -17.135 -9.127 1.00 0.00 C ATOM 212 CG GLU A 19 -7.085 -17.721 -10.503 1.00 0.00 C ATOM 213 CD GLU A 19 -8.585 -17.900 -10.731 1.00 0.00 C ATOM 214 OE1 GLU A 19 -9.282 -16.917 -11.075 1.00 0.00 O ATOM 215 OE2 GLU A 19 -9.062 -19.056 -10.614 1.00 0.00 O ATOM 0 H GLU A 19 -5.738 -16.505 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.827 -18.125 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.219 -17.719 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.120 -16.119 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.684 -17.069 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.592 -18.687 -10.613 1.00 0.00 H new ATOM 222 N ILE A 20 -4.423 -14.870 -9.467 1.00 0.00 N ATOM 223 CA ILE A 20 -3.750 -13.864 -10.268 1.00 0.00 C ATOM 224 C ILE A 20 -2.235 -14.036 -10.126 1.00 0.00 C ATOM 225 O ILE A 20 -1.524 -13.980 -11.127 1.00 0.00 O ATOM 226 CB ILE A 20 -4.233 -12.458 -9.869 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.770 -12.308 -9.858 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.614 -11.427 -10.820 1.00 0.00 C ATOM 229 CD1 ILE A 20 -6.483 -12.682 -11.163 1.00 0.00 C ATOM 0 H ILE A 20 -4.820 -14.511 -8.599 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.997 -13.990 -11.322 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.906 -12.289 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.171 -12.927 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.014 -11.274 -9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.952 -10.428 -10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.527 -11.475 -10.751 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.922 -11.644 -11.843 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.557 -12.540 -11.044 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.120 -12.047 -11.971 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.280 -13.726 -11.403 1.00 0.00 H new ATOM 241 N VAL A 21 -1.734 -14.280 -8.914 1.00 0.00 N ATOM 242 CA VAL A 21 -0.331 -14.583 -8.630 1.00 0.00 C ATOM 243 C VAL A 21 0.113 -15.823 -9.406 1.00 0.00 C ATOM 244 O VAL A 21 1.267 -15.917 -9.823 1.00 0.00 O ATOM 245 CB VAL A 21 -0.180 -14.793 -7.113 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.182 -15.345 -6.684 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.422 -13.496 -6.335 1.00 0.00 C ATOM 0 H VAL A 21 -2.314 -14.272 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 21 0.305 -13.757 -8.947 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.939 -15.539 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.202 -15.462 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.348 -16.313 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.967 -14.653 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.306 -13.685 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.300 -12.742 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.432 -13.136 -6.532 1.00 0.00 H new ATOM 257 N ALA A 22 -0.798 -16.771 -9.612 1.00 0.00 N ATOM 258 CA ALA A 22 -0.557 -17.981 -10.379 1.00 0.00 C ATOM 259 C ALA A 22 -0.171 -17.618 -11.805 1.00 0.00 C ATOM 260 O ALA A 22 0.734 -18.217 -12.386 1.00 0.00 O ATOM 261 CB ALA A 22 -1.837 -18.810 -10.425 1.00 0.00 C ATOM 0 H ALA A 22 -1.746 -16.714 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 22 0.247 -18.547 -9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.661 -19.719 -11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.136 -19.074 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.630 -18.230 -10.898 1.00 0.00 H new ATOM 267 N MET A 23 -0.903 -16.655 -12.359 1.00 0.00 N ATOM 268 CA MET A 23 -0.735 -16.153 -13.701 1.00 0.00 C ATOM 269 C MET A 23 0.475 -15.222 -13.794 1.00 0.00 C ATOM 270 O MET A 23 0.989 -15.051 -14.897 1.00 0.00 O ATOM 271 CB MET A 23 -2.003 -15.392 -14.102 1.00 0.00 C ATOM 272 CG MET A 23 -3.287 -16.220 -14.118 1.00 0.00 C ATOM 273 SD MET A 23 -3.604 -17.060 -15.687 1.00 0.00 S ATOM 274 CE MET A 23 -5.184 -17.814 -15.225 1.00 0.00 C ATOM 0 H MET A 23 -1.659 -16.190 -11.856 1.00 0.00 H new ATOM 0 HA MET A 23 -0.565 -16.993 -14.375 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.138 -14.557 -13.415 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.853 -14.967 -15.094 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.236 -16.964 -13.323 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.130 -15.568 -13.891 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.570 -18.393 -16.064 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.037 -18.471 -14.368 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.898 -17.032 -14.964 1.00 0.00 H new ATOM 284 N SER A 24 0.919 -14.606 -12.691 1.00 0.00 N ATOM 285 CA SER A 24 2.000 -13.631 -12.711 1.00 0.00 C ATOM 286 C SER A 24 3.293 -14.263 -13.246 1.00 0.00 C ATOM 287 O SER A 24 3.592 -15.415 -12.906 1.00 0.00 O ATOM 288 CB SER A 24 2.232 -13.056 -11.307 1.00 0.00 C ATOM 289 OG SER A 24 1.102 -12.328 -10.867 1.00 0.00 O ATOM 0 H SER A 24 0.534 -14.775 -11.762 1.00 0.00 H new ATOM 0 HA SER A 24 1.712 -12.818 -13.378 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.443 -13.866 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.107 -12.407 -11.316 1.00 0.00 H new ATOM 0 HG SER A 24 0.305 -12.896 -10.921 1.00 0.00 H new ATOM 295 N PRO A 25 4.075 -13.521 -14.050 1.00 0.00 N ATOM 296 CA PRO A 25 5.421 -13.920 -14.416 1.00 0.00 C ATOM 297 C PRO A 25 6.332 -13.874 -13.189 1.00 0.00 C ATOM 298 O PRO A 25 5.897 -13.499 -12.101 1.00 0.00 O ATOM 299 CB PRO A 25 5.849 -12.951 -15.519 1.00 0.00 C ATOM 300 CG PRO A 25 5.085 -11.676 -15.200 1.00 0.00 C ATOM 301 CD PRO A 25 3.815 -12.159 -14.500 1.00 0.00 C ATOM 0 HA PRO A 25 5.478 -14.946 -14.780 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.926 -12.785 -15.509 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.594 -13.333 -16.508 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.666 -11.015 -14.557 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.851 -11.116 -16.105 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.569 -11.514 -13.657 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.964 -12.132 -15.181 1.00 0.00 H new ATOM 309 N GLU A 26 7.591 -14.267 -13.364 1.00 0.00 N ATOM 310 CA GLU A 26 8.617 -14.121 -12.347 1.00 0.00 C ATOM 311 C GLU A 26 8.755 -12.651 -11.941 1.00 0.00 C ATOM 312 O GLU A 26 9.357 -11.849 -12.657 1.00 0.00 O ATOM 313 CB GLU A 26 9.947 -14.717 -12.834 1.00 0.00 C ATOM 314 CG GLU A 26 10.284 -15.944 -11.993 1.00 0.00 C ATOM 315 CD GLU A 26 11.558 -16.652 -12.419 1.00 0.00 C ATOM 316 OE1 GLU A 26 11.605 -17.205 -13.540 1.00 0.00 O ATOM 317 OE2 GLU A 26 12.516 -16.701 -11.614 1.00 0.00 O ATOM 0 H GLU A 26 7.926 -14.699 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 26 8.323 -14.678 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.873 -14.992 -13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.743 -13.976 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.379 -15.642 -10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.454 -16.648 -12.047 1.00 0.00 H new ATOM 324 N LEU A 27 8.161 -12.288 -10.809 1.00 0.00 N ATOM 325 CA LEU A 27 8.171 -10.939 -10.285 1.00 0.00 C ATOM 326 C LEU A 27 9.382 -10.810 -9.392 1.00 0.00 C ATOM 327 O LEU A 27 9.445 -11.415 -8.323 1.00 0.00 O ATOM 328 CB LEU A 27 6.842 -10.631 -9.604 1.00 0.00 C ATOM 329 CG LEU A 27 6.046 -9.619 -10.435 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.756 -10.115 -11.853 1.00 0.00 C ATOM 331 CD2 LEU A 27 4.732 -9.394 -9.710 1.00 0.00 C ATOM 0 H LEU A 27 7.648 -12.945 -10.221 1.00 0.00 H new ATOM 0 HA LEU A 27 8.260 -10.189 -11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.265 -11.548 -9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.020 -10.233 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 27 6.632 -8.705 -10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.190 -9.357 -12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.696 -10.305 -12.371 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.175 -11.036 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.128 -8.677 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.194 -10.338 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.930 -9.004 -8.711 1.00 0.00 H new ATOM 343 N ASP A 28 10.366 -10.071 -9.900 1.00 0.00 N ATOM 344 CA ASP A 28 11.738 -10.080 -9.424 1.00 0.00 C ATOM 345 C ASP A 28 11.828 -9.512 -8.013 1.00 0.00 C ATOM 346 O ASP A 28 11.826 -8.290 -7.829 1.00 0.00 O ATOM 347 CB ASP A 28 12.627 -9.304 -10.410 1.00 0.00 C ATOM 348 CG ASP A 28 14.014 -9.910 -10.560 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.218 -11.110 -10.241 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.926 -9.164 -10.976 1.00 0.00 O ATOM 0 H ASP A 28 10.220 -9.430 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 28 12.096 -11.108 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.141 -9.276 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.722 -8.272 -10.071 1.00 0.00 H new ATOM 355 N THR A 29 11.784 -10.389 -7.011 1.00 0.00 N ATOM 356 CA THR A 29 11.362 -9.995 -5.676 1.00 0.00 C ATOM 357 C THR A 29 12.286 -8.931 -5.087 1.00 0.00 C ATOM 358 O THR A 29 11.785 -7.955 -4.533 1.00 0.00 O ATOM 359 CB THR A 29 11.193 -11.212 -4.749 1.00 0.00 C ATOM 360 OG1 THR A 29 12.366 -11.994 -4.690 1.00 0.00 O ATOM 361 CG2 THR A 29 10.053 -12.132 -5.199 1.00 0.00 C ATOM 0 H THR A 29 12.035 -11.373 -7.102 1.00 0.00 H new ATOM 0 HA THR A 29 10.377 -9.537 -5.764 1.00 0.00 H new ATOM 0 HB THR A 29 10.966 -10.794 -3.768 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.289 -12.644 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.974 -12.976 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.115 -11.576 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.258 -12.500 -6.204 1.00 0.00 H new ATOM 369 N TYR A 30 13.609 -9.065 -5.239 1.00 0.00 N ATOM 370 CA TYR A 30 14.553 -8.068 -4.772 1.00 0.00 C ATOM 371 C TYR A 30 14.254 -6.696 -5.361 1.00 0.00 C ATOM 372 O TYR A 30 14.083 -5.750 -4.587 1.00 0.00 O ATOM 373 CB TYR A 30 15.985 -8.477 -5.106 1.00 0.00 C ATOM 374 CG TYR A 30 16.959 -7.778 -4.209 1.00 0.00 C ATOM 375 CD1 TYR A 30 16.989 -8.155 -2.862 1.00 0.00 C ATOM 376 CD2 TYR A 30 17.716 -6.689 -4.672 1.00 0.00 C ATOM 377 CE1 TYR A 30 17.805 -7.458 -1.965 1.00 0.00 C ATOM 378 CE2 TYR A 30 18.541 -5.992 -3.775 1.00 0.00 C ATOM 379 CZ TYR A 30 18.598 -6.380 -2.420 1.00 0.00 C ATOM 380 OH TYR A 30 19.402 -5.707 -1.556 1.00 0.00 O ATOM 0 H TYR A 30 14.045 -9.870 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 30 14.447 -8.004 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.094 -9.556 -4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.204 -8.236 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.385 -8.981 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.664 -6.391 -5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 30 17.829 -7.744 -0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.133 -5.158 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 30 19.877 -4.997 -2.037 1.00 0.00 H new ATOM 390 N SER A 31 14.138 -6.610 -6.690 1.00 0.00 N ATOM 391 CA SER A 31 13.891 -5.358 -7.381 1.00 0.00 C ATOM 392 C SER A 31 12.629 -4.705 -6.808 1.00 0.00 C ATOM 393 O SER A 31 12.660 -3.544 -6.401 1.00 0.00 O ATOM 394 CB SER A 31 13.790 -5.665 -8.873 1.00 0.00 C ATOM 395 OG SER A 31 14.177 -4.565 -9.657 1.00 0.00 O ATOM 0 H SER A 31 14.214 -7.415 -7.312 1.00 0.00 H new ATOM 0 HA SER A 31 14.700 -4.641 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.420 -6.522 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.765 -5.945 -9.119 1.00 0.00 H new ATOM 0 HG SER A 31 14.102 -4.797 -10.606 1.00 0.00 H new ATOM 401 N ILE A 32 11.554 -5.479 -6.639 1.00 0.00 N ATOM 402 CA ILE A 32 10.291 -5.009 -6.076 1.00 0.00 C ATOM 403 C ILE A 32 10.517 -4.514 -4.637 1.00 0.00 C ATOM 404 O ILE A 32 10.009 -3.452 -4.283 1.00 0.00 O ATOM 405 CB ILE A 32 9.246 -6.150 -6.185 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.980 -6.501 -7.664 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.913 -5.785 -5.516 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.243 -7.829 -7.858 1.00 0.00 C ATOM 0 H ILE A 32 11.539 -6.466 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 32 9.900 -4.157 -6.632 1.00 0.00 H new ATOM 0 HB ILE A 32 9.668 -7.009 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.395 -5.701 -8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.931 -6.542 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.215 -6.616 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.081 -5.581 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.496 -4.899 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.091 -8.009 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.836 -8.639 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.276 -7.785 -7.356 1.00 0.00 H new ATOM 420 N THR A 33 11.252 -5.221 -3.770 1.00 0.00 N ATOM 421 CA THR A 33 11.469 -4.747 -2.393 1.00 0.00 C ATOM 422 C THR A 33 12.194 -3.414 -2.339 1.00 0.00 C ATOM 423 O THR A 33 11.828 -2.535 -1.559 1.00 0.00 O ATOM 424 CB THR A 33 12.154 -5.789 -1.516 1.00 0.00 C ATOM 425 OG1 THR A 33 13.420 -6.187 -1.996 1.00 0.00 O ATOM 426 CG2 THR A 33 11.246 -7.009 -1.357 1.00 0.00 C ATOM 0 H THR A 33 11.701 -6.110 -3.990 1.00 0.00 H new ATOM 0 HA THR A 33 10.474 -4.584 -1.979 1.00 0.00 H new ATOM 0 HB THR A 33 12.328 -5.317 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.515 -5.916 -2.933 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.740 -7.751 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.308 -6.706 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.042 -7.441 -2.337 1.00 0.00 H new ATOM 434 N LYS A 34 13.186 -3.254 -3.202 1.00 0.00 N ATOM 435 CA LYS A 34 13.932 -2.030 -3.348 1.00 0.00 C ATOM 436 C LYS A 34 12.985 -0.941 -3.809 1.00 0.00 C ATOM 437 O LYS A 34 12.809 0.028 -3.087 1.00 0.00 O ATOM 438 CB LYS A 34 15.110 -2.222 -4.317 1.00 0.00 C ATOM 439 CG LYS A 34 15.787 -0.859 -4.464 1.00 0.00 C ATOM 440 CD LYS A 34 17.217 -0.904 -4.992 1.00 0.00 C ATOM 441 CE LYS A 34 17.923 0.398 -4.606 1.00 0.00 C ATOM 442 NZ LYS A 34 18.432 0.359 -3.220 1.00 0.00 N ATOM 0 H LYS A 34 13.496 -3.994 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 34 14.364 -1.737 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.811 -2.962 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.761 -2.586 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.187 -0.243 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.790 -0.365 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.747 -1.760 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.216 -1.027 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.751 0.579 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.230 1.233 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.559 1.330 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.751 -0.142 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.345 -0.139 -3.199 1.00 0.00 H new ATOM 456 N ARG A 35 12.359 -1.094 -4.974 1.00 0.00 N ATOM 457 CA ARG A 35 11.543 -0.061 -5.597 1.00 0.00 C ATOM 458 C ARG A 35 10.443 0.407 -4.649 1.00 0.00 C ATOM 459 O ARG A 35 10.123 1.590 -4.610 1.00 0.00 O ATOM 460 CB ARG A 35 10.992 -0.635 -6.912 1.00 0.00 C ATOM 461 CG ARG A 35 10.751 0.409 -8.014 1.00 0.00 C ATOM 462 CD ARG A 35 9.375 1.039 -7.817 1.00 0.00 C ATOM 463 NE ARG A 35 8.886 1.787 -8.984 1.00 0.00 N ATOM 464 CZ ARG A 35 8.192 1.279 -10.010 1.00 0.00 C ATOM 465 NH1 ARG A 35 8.164 -0.030 -10.225 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.496 2.082 -10.806 1.00 0.00 N ATOM 0 H ARG A 35 12.407 -1.955 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 35 12.137 0.826 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.689 -1.385 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.053 -1.148 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.524 1.177 -7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.812 -0.061 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.659 0.254 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.414 1.710 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 35 9.095 2.785 -9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.674 -0.660 -9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.632 -0.407 -11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.489 3.088 -10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.968 1.693 -11.587 1.00 0.00 H new ATOM 480 N VAL A 36 9.896 -0.502 -3.846 1.00 0.00 N ATOM 481 CA VAL A 36 8.924 -0.185 -2.817 1.00 0.00 C ATOM 482 C VAL A 36 9.572 0.681 -1.746 1.00 0.00 C ATOM 483 O VAL A 36 9.038 1.734 -1.424 1.00 0.00 O ATOM 484 CB VAL A 36 8.342 -1.502 -2.282 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.592 -1.332 -0.958 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.315 -2.041 -3.298 1.00 0.00 C ATOM 0 H VAL A 36 10.123 -1.495 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 36 8.095 0.401 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 36 9.186 -2.174 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.205 -2.298 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.273 -0.940 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.764 -0.637 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.895 -2.977 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.516 -1.311 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.807 -2.217 -4.254 1.00 0.00 H new ATOM 496 N LYS A 37 10.701 0.267 -1.171 1.00 0.00 N ATOM 497 CA LYS A 37 11.384 1.061 -0.158 1.00 0.00 C ATOM 498 C LYS A 37 11.786 2.430 -0.686 1.00 0.00 C ATOM 499 O LYS A 37 11.681 3.396 0.066 1.00 0.00 O ATOM 500 CB LYS A 37 12.623 0.311 0.322 1.00 0.00 C ATOM 501 CG LYS A 37 12.225 -0.805 1.289 1.00 0.00 C ATOM 502 CD LYS A 37 13.473 -1.429 1.916 1.00 0.00 C ATOM 503 CE LYS A 37 14.202 -2.415 1.004 1.00 0.00 C ATOM 504 NZ LYS A 37 15.592 -2.588 1.471 1.00 0.00 N ATOM 0 H LYS A 37 11.160 -0.616 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 37 10.693 1.216 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.155 -0.110 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.307 1.002 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.577 -0.406 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.654 -1.568 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.162 -0.633 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.187 -1.942 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.686 -3.375 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.196 -2.049 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.086 -3.259 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.082 -1.671 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.588 -2.956 2.444 1.00 0.00 H new ATOM 518 N GLU A 38 12.236 2.519 -1.935 1.00 0.00 N ATOM 519 CA GLU A 38 12.531 3.785 -2.604 1.00 0.00 C ATOM 520 C GLU A 38 11.290 4.680 -2.565 1.00 0.00 C ATOM 521 O GLU A 38 11.365 5.795 -2.057 1.00 0.00 O ATOM 522 CB GLU A 38 13.000 3.565 -4.055 1.00 0.00 C ATOM 523 CG GLU A 38 14.335 2.823 -4.192 1.00 0.00 C ATOM 524 CD GLU A 38 15.516 3.628 -3.659 1.00 0.00 C ATOM 525 OE1 GLU A 38 16.073 4.464 -4.405 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.907 3.393 -2.493 1.00 0.00 O ATOM 0 H GLU A 38 12.409 1.702 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 38 13.348 4.274 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.232 3.005 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.087 4.535 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.276 1.876 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.507 2.585 -5.242 1.00 0.00 H new ATOM 533 N VAL A 39 10.146 4.185 -3.055 1.00 0.00 N ATOM 534 CA VAL A 39 8.879 4.914 -3.024 1.00 0.00 C ATOM 535 C VAL A 39 8.541 5.320 -1.597 1.00 0.00 C ATOM 536 O VAL A 39 8.405 6.504 -1.336 1.00 0.00 O ATOM 537 CB VAL A 39 7.759 4.094 -3.705 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.348 4.611 -3.417 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.986 4.178 -5.216 1.00 0.00 C ATOM 0 H VAL A 39 10.077 3.263 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 39 8.976 5.835 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 39 7.813 3.079 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.619 3.984 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.162 4.581 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.257 5.637 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.213 3.609 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.943 5.220 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.964 3.765 -5.460 1.00 0.00 H new ATOM 549 N LEU A 40 8.419 4.378 -0.662 1.00 0.00 N ATOM 550 CA LEU A 40 7.971 4.671 0.696 1.00 0.00 C ATOM 551 C LEU A 40 8.867 5.707 1.362 1.00 0.00 C ATOM 552 O LEU A 40 8.383 6.509 2.155 1.00 0.00 O ATOM 553 CB LEU A 40 7.964 3.390 1.535 1.00 0.00 C ATOM 554 CG LEU A 40 6.934 2.345 1.082 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.172 1.079 1.907 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.496 2.844 1.241 1.00 0.00 C ATOM 0 H LEU A 40 8.628 3.393 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 40 6.961 5.076 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.957 2.942 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.766 3.651 2.575 1.00 0.00 H new ATOM 0 HG LEU A 40 7.062 2.142 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.456 0.312 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.185 0.716 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.045 1.305 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.804 2.071 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.305 3.075 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.354 3.742 0.640 1.00 0.00 H new ATOM 568 N THR A 41 10.167 5.683 1.078 1.00 0.00 N ATOM 569 CA THR A 41 11.104 6.690 1.520 1.00 0.00 C ATOM 570 C THR A 41 10.710 8.047 0.929 1.00 0.00 C ATOM 571 O THR A 41 10.415 8.962 1.697 1.00 0.00 O ATOM 572 CB THR A 41 12.511 6.211 1.149 1.00 0.00 C ATOM 573 OG1 THR A 41 12.778 4.998 1.838 1.00 0.00 O ATOM 574 CG2 THR A 41 13.565 7.223 1.536 1.00 0.00 C ATOM 0 H THR A 41 10.598 4.944 0.522 1.00 0.00 H new ATOM 0 HA THR A 41 11.089 6.833 2.600 1.00 0.00 H new ATOM 0 HB THR A 41 12.547 6.070 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.517 4.239 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.550 6.848 1.257 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.375 8.163 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.532 7.389 2.613 1.00 0.00 H new ATOM 582 N ASP A 42 10.645 8.181 -0.398 1.00 0.00 N ATOM 583 CA ASP A 42 10.265 9.425 -1.076 1.00 0.00 C ATOM 584 C ASP A 42 8.894 9.926 -0.619 1.00 0.00 C ATOM 585 O ASP A 42 8.657 11.130 -0.562 1.00 0.00 O ATOM 586 CB ASP A 42 10.215 9.203 -2.596 1.00 0.00 C ATOM 587 CG ASP A 42 11.411 9.803 -3.320 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.424 9.089 -3.512 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.311 10.952 -3.808 1.00 0.00 O ATOM 0 H ASP A 42 10.858 7.419 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 42 11.017 10.171 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.171 8.133 -2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.299 9.641 -2.992 1.00 0.00 H new ATOM 594 N ASN A 43 7.965 9.013 -0.329 1.00 0.00 N ATOM 595 CA ASN A 43 6.607 9.298 0.109 1.00 0.00 C ATOM 596 C ASN A 43 6.574 9.747 1.570 1.00 0.00 C ATOM 597 O ASN A 43 5.506 10.119 2.045 1.00 0.00 O ATOM 598 CB ASN A 43 5.696 8.060 0.013 1.00 0.00 C ATOM 599 CG ASN A 43 5.557 7.322 -1.296 1.00 0.00 C ATOM 600 OD1 ASN A 43 4.953 6.263 -1.281 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.012 7.810 -2.437 1.00 0.00 N ATOM 0 H ASN A 43 8.152 8.013 -0.398 1.00 0.00 H new ATOM 0 HA ASN A 43 6.249 10.087 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.047 7.342 0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.696 8.369 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.858 7.300 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.517 8.696 -2.447 1.00 0.00 H new ATOM 608 N ASN A 44 7.690 9.687 2.305 1.00 0.00 N ATOM 609 CA ASN A 44 7.767 9.912 3.750 1.00 0.00 C ATOM 610 C ASN A 44 6.819 8.974 4.516 1.00 0.00 C ATOM 611 O ASN A 44 6.198 9.371 5.510 1.00 0.00 O ATOM 612 CB ASN A 44 7.542 11.397 4.096 1.00 0.00 C ATOM 613 CG ASN A 44 8.654 12.290 3.578 1.00 0.00 C ATOM 614 OD1 ASN A 44 9.647 12.494 4.270 1.00 0.00 O ATOM 615 ND2 ASN A 44 8.552 12.818 2.369 1.00 0.00 N ATOM 0 H ASN A 44 8.598 9.472 1.893 1.00 0.00 H new ATOM 0 HA ASN A 44 8.777 9.664 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.592 11.725 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.466 11.507 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.304 13.402 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.722 12.641 1.804 1.00 0.00 H new ATOM 622 N LEU A 45 6.675 7.724 4.064 1.00 0.00 N ATOM 623 CA LEU A 45 5.709 6.755 4.571 1.00 0.00 C ATOM 624 C LEU A 45 6.409 5.656 5.365 1.00 0.00 C ATOM 625 O LEU A 45 7.313 4.976 4.875 1.00 0.00 O ATOM 626 CB LEU A 45 4.909 6.147 3.411 1.00 0.00 C ATOM 627 CG LEU A 45 3.798 7.054 2.858 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.095 6.358 1.699 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.713 7.359 3.891 1.00 0.00 C ATOM 0 H LEU A 45 7.250 7.350 3.309 1.00 0.00 H new ATOM 0 HA LEU A 45 5.022 7.274 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.597 5.901 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.463 5.210 3.746 1.00 0.00 H new ATOM 0 HG LEU A 45 4.288 7.980 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.308 7.004 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.816 6.148 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.657 5.423 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.956 8.003 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.250 6.428 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.158 7.864 4.748 1.00 0.00 H new ATOM 641 N GLY A 46 5.948 5.461 6.597 1.00 0.00 N ATOM 642 CA GLY A 46 6.370 4.443 7.549 1.00 0.00 C ATOM 643 C GLY A 46 6.036 3.040 7.058 1.00 0.00 C ATOM 644 O GLY A 46 4.859 2.775 6.817 1.00 0.00 O ATOM 0 H GLY A 46 5.215 6.056 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.444 4.524 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.884 4.618 8.509 1.00 0.00 H new ATOM 648 N GLN A 47 7.025 2.152 6.899 1.00 0.00 N ATOM 649 CA GLN A 47 6.880 0.817 6.304 1.00 0.00 C ATOM 650 C GLN A 47 5.704 0.005 6.848 1.00 0.00 C ATOM 651 O GLN A 47 5.097 -0.746 6.083 1.00 0.00 O ATOM 652 CB GLN A 47 8.168 -0.005 6.502 1.00 0.00 C ATOM 653 CG GLN A 47 8.970 -0.189 5.214 1.00 0.00 C ATOM 654 CD GLN A 47 10.280 -0.916 5.457 1.00 0.00 C ATOM 655 OE1 GLN A 47 11.354 -0.339 5.342 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.260 -2.186 5.800 1.00 0.00 N ATOM 0 H GLN A 47 7.982 2.350 7.191 1.00 0.00 H new ATOM 0 HA GLN A 47 6.683 1.002 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.795 0.488 7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.908 -0.985 6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.374 -0.748 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.174 0.786 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.370 -2.674 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.135 -2.683 5.968 1.00 0.00 H new ATOM 665 N ARG A 48 5.382 0.142 8.141 1.00 0.00 N ATOM 666 CA ARG A 48 4.285 -0.596 8.758 1.00 0.00 C ATOM 667 C ARG A 48 3.000 -0.435 7.960 1.00 0.00 C ATOM 668 O ARG A 48 2.317 -1.414 7.716 1.00 0.00 O ATOM 669 CB ARG A 48 4.066 -0.129 10.205 1.00 0.00 C ATOM 670 CG ARG A 48 2.946 -0.947 10.868 1.00 0.00 C ATOM 671 CD ARG A 48 2.763 -0.558 12.330 1.00 0.00 C ATOM 672 NE ARG A 48 1.793 -1.454 12.967 1.00 0.00 N ATOM 673 CZ ARG A 48 1.081 -1.216 14.067 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.157 -0.055 14.708 1.00 0.00 N ATOM 675 NH2 ARG A 48 0.294 -2.180 14.514 1.00 0.00 N ATOM 0 H ARG A 48 5.875 0.765 8.781 1.00 0.00 H new ATOM 0 HA ARG A 48 4.556 -1.652 8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.990 -0.238 10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.808 0.930 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.012 -0.791 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.180 -2.009 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.718 -0.612 12.852 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.419 0.474 12.401 1.00 0.00 H new ATOM 0 HE ARG A 48 1.648 -2.359 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.772 0.681 14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.600 0.101 15.548 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.247 -3.071 14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.266 -2.033 15.354 1.00 0.00 H new ATOM 689 N LEU A 49 2.665 0.797 7.591 1.00 0.00 N ATOM 690 CA LEU A 49 1.370 1.182 7.068 1.00 0.00 C ATOM 691 C LEU A 49 1.087 0.472 5.752 1.00 0.00 C ATOM 692 O LEU A 49 0.065 -0.188 5.591 1.00 0.00 O ATOM 693 CB LEU A 49 1.411 2.705 6.946 1.00 0.00 C ATOM 694 CG LEU A 49 0.022 3.320 7.040 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.208 4.787 7.394 1.00 0.00 C ATOM 696 CD2 LEU A 49 -0.792 3.219 5.775 1.00 0.00 C ATOM 0 H LEU A 49 3.316 1.580 7.652 1.00 0.00 H new ATOM 0 HA LEU A 49 0.548 0.887 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.044 3.115 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.866 2.981 5.995 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.536 2.763 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.767 5.269 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.730 4.868 8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.794 5.277 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.766 3.682 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.272 3.732 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.927 2.170 5.512 1.00 0.00 H new ATOM 708 N PHE A 50 2.033 0.591 4.827 1.00 0.00 N ATOM 709 CA PHE A 50 2.112 -0.192 3.604 1.00 0.00 C ATOM 710 C PHE A 50 1.846 -1.679 3.862 1.00 0.00 C ATOM 711 O PHE A 50 0.966 -2.253 3.218 1.00 0.00 O ATOM 712 CB PHE A 50 3.489 0.039 2.978 1.00 0.00 C ATOM 713 CG PHE A 50 3.786 -0.833 1.783 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.189 -0.545 0.543 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.655 -1.933 1.914 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.464 -1.351 -0.570 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.935 -2.735 0.798 1.00 0.00 C ATOM 718 CZ PHE A 50 4.338 -2.438 -0.439 1.00 0.00 C ATOM 0 H PHE A 50 2.795 1.263 4.914 1.00 0.00 H new ATOM 0 HA PHE A 50 1.336 0.132 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.567 1.084 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.253 -0.133 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.519 0.297 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.104 -2.158 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.005 -1.135 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.606 -3.576 0.889 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.555 -3.055 -1.298 1.00 0.00 H new ATOM 728 N GLY A 51 2.595 -2.308 4.775 1.00 0.00 N ATOM 729 CA GLY A 51 2.421 -3.730 5.037 1.00 0.00 C ATOM 730 C GLY A 51 1.051 -4.032 5.615 1.00 0.00 C ATOM 731 O GLY A 51 0.416 -4.976 5.175 1.00 0.00 O ATOM 0 H GLY A 51 3.317 -1.856 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.557 -4.290 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.191 -4.069 5.730 1.00 0.00 H new ATOM 735 N GLU A 52 0.564 -3.223 6.545 1.00 0.00 N ATOM 736 CA GLU A 52 -0.728 -3.377 7.186 1.00 0.00 C ATOM 737 C GLU A 52 -1.849 -3.366 6.145 1.00 0.00 C ATOM 738 O GLU A 52 -2.616 -4.327 6.043 1.00 0.00 O ATOM 739 CB GLU A 52 -0.915 -2.250 8.212 1.00 0.00 C ATOM 740 CG GLU A 52 -0.319 -2.601 9.578 1.00 0.00 C ATOM 741 CD GLU A 52 -1.205 -3.599 10.314 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.383 -3.270 10.587 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.749 -4.724 10.612 1.00 0.00 O ATOM 0 H GLU A 52 1.080 -2.411 6.885 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.769 -4.337 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.447 -1.340 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.978 -2.038 8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.679 -3.020 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.209 -1.696 10.175 1.00 0.00 H new ATOM 750 N SER A 53 -1.971 -2.275 5.388 1.00 0.00 N ATOM 751 CA SER A 53 -3.059 -2.056 4.468 1.00 0.00 C ATOM 752 C SER A 53 -2.927 -2.936 3.219 1.00 0.00 C ATOM 753 O SER A 53 -3.889 -3.625 2.867 1.00 0.00 O ATOM 754 CB SER A 53 -3.076 -0.558 4.153 1.00 0.00 C ATOM 755 OG SER A 53 -3.407 0.175 5.325 1.00 0.00 O ATOM 0 H SER A 53 -1.296 -1.510 5.407 1.00 0.00 H new ATOM 0 HA SER A 53 -4.013 -2.347 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.101 -0.244 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.801 -0.350 3.366 1.00 0.00 H new ATOM 0 HG SER A 53 -3.415 1.133 5.120 1.00 0.00 H new ATOM 761 N ILE A 54 -1.792 -2.899 2.513 1.00 0.00 N ATOM 762 CA ILE A 54 -1.657 -3.599 1.235 1.00 0.00 C ATOM 763 C ILE A 54 -1.476 -5.089 1.505 1.00 0.00 C ATOM 764 O ILE A 54 -2.137 -5.920 0.884 1.00 0.00 O ATOM 765 CB ILE A 54 -0.486 -3.036 0.390 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.495 -1.499 0.277 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.453 -3.662 -1.018 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.788 -0.889 -0.274 1.00 0.00 C ATOM 0 H ILE A 54 -0.956 -2.393 2.806 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.563 -3.442 0.650 1.00 0.00 H new ATOM 0 HB ILE A 54 0.419 -3.315 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.306 -1.078 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.333 -1.194 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.381 -3.244 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.329 -4.742 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.387 -3.444 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.691 0.196 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.973 -1.273 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.622 -1.155 0.376 1.00 0.00 H new ATOM 780 N LEU A 55 -0.538 -5.429 2.388 1.00 0.00 N ATOM 781 CA LEU A 55 -0.021 -6.794 2.475 1.00 0.00 C ATOM 782 C LEU A 55 -0.675 -7.618 3.583 1.00 0.00 C ATOM 783 O LEU A 55 -0.658 -8.843 3.505 1.00 0.00 O ATOM 784 CB LEU A 55 1.514 -6.763 2.600 1.00 0.00 C ATOM 785 CG LEU A 55 2.207 -5.909 1.518 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.720 -5.942 1.707 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.884 -6.332 0.080 1.00 0.00 C ATOM 0 H LEU A 55 -0.121 -4.778 3.053 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.287 -7.307 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.782 -6.376 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.895 -7.783 2.545 1.00 0.00 H new ATOM 0 HG LEU A 55 1.814 -4.901 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.196 -5.335 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.973 -5.544 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.074 -6.970 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.411 -5.681 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.201 -7.363 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.810 -6.253 -0.090 1.00 0.00 H new ATOM 799 N GLY A 56 -1.289 -6.991 4.584 1.00 0.00 N ATOM 800 CA GLY A 56 -1.720 -7.664 5.798 1.00 0.00 C ATOM 801 C GLY A 56 -0.535 -8.271 6.550 1.00 0.00 C ATOM 802 O GLY A 56 -0.625 -9.428 6.964 1.00 0.00 O ATOM 0 H GLY A 56 -1.501 -5.993 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.239 -6.956 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.434 -8.448 5.547 1.00 0.00 H new ATOM 806 N LEU A 57 0.574 -7.533 6.706 1.00 0.00 N ATOM 807 CA LEU A 57 1.744 -7.957 7.471 1.00 0.00 C ATOM 808 C LEU A 57 2.075 -6.903 8.525 1.00 0.00 C ATOM 809 O LEU A 57 1.866 -5.712 8.284 1.00 0.00 O ATOM 810 CB LEU A 57 2.930 -8.123 6.511 1.00 0.00 C ATOM 811 CG LEU A 57 2.733 -9.238 5.468 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.866 -9.143 4.448 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.691 -10.630 6.108 1.00 0.00 C ATOM 0 H LEU A 57 0.679 -6.606 6.293 1.00 0.00 H new ATOM 0 HA LEU A 57 1.539 -8.905 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.101 -7.179 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.828 -8.335 7.091 1.00 0.00 H new ATOM 0 HG LEU A 57 1.769 -9.099 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.747 -9.925 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.838 -8.167 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.823 -9.269 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.550 -11.383 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.629 -10.818 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.864 -10.680 6.816 1.00 0.00 H new ATOM 825 N THR A 58 2.626 -7.327 9.667 1.00 0.00 N ATOM 826 CA THR A 58 3.070 -6.405 10.707 1.00 0.00 C ATOM 827 C THR A 58 4.291 -5.627 10.215 1.00 0.00 C ATOM 828 O THR A 58 4.944 -6.016 9.243 1.00 0.00 O ATOM 829 CB THR A 58 3.394 -7.160 12.014 1.00 0.00 C ATOM 830 OG1 THR A 58 4.404 -8.123 11.773 1.00 0.00 O ATOM 831 CG2 THR A 58 2.156 -7.808 12.645 1.00 0.00 C ATOM 0 H THR A 58 2.774 -8.311 9.891 1.00 0.00 H new ATOM 0 HA THR A 58 2.264 -5.704 10.922 1.00 0.00 H new ATOM 0 HB THR A 58 3.757 -6.428 12.736 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.608 -8.599 12.605 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.443 -8.325 13.561 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.421 -7.038 12.878 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.723 -8.523 11.945 1.00 0.00 H new ATOM 839 N GLN A 59 4.680 -4.578 10.944 1.00 0.00 N ATOM 840 CA GLN A 59 5.947 -3.897 10.727 1.00 0.00 C ATOM 841 C GLN A 59 7.113 -4.884 10.768 1.00 0.00 C ATOM 842 O GLN A 59 8.029 -4.754 9.959 1.00 0.00 O ATOM 843 CB GLN A 59 6.134 -2.822 11.799 1.00 0.00 C ATOM 844 CG GLN A 59 7.297 -1.882 11.488 1.00 0.00 C ATOM 845 CD GLN A 59 7.457 -0.796 12.543 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.760 -0.765 13.557 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.399 0.096 12.340 1.00 0.00 N ATOM 0 H GLN A 59 4.122 -4.181 11.700 1.00 0.00 H new ATOM 0 HA GLN A 59 5.931 -3.434 9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.216 -2.241 11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.306 -3.301 12.763 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.220 -2.458 11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.137 -1.419 10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.967 0.055 11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.563 0.830 13.029 1.00 0.00 H new ATOM 856 N GLY A 60 7.088 -5.838 11.702 1.00 0.00 N ATOM 857 CA GLY A 60 8.098 -6.872 11.812 1.00 0.00 C ATOM 858 C GLY A 60 8.143 -7.705 10.538 1.00 0.00 C ATOM 859 O GLY A 60 9.168 -7.738 9.862 1.00 0.00 O ATOM 0 H GLY A 60 6.354 -5.908 12.407 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.073 -6.420 11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.880 -7.513 12.666 1.00 0.00 H new ATOM 863 N SER A 61 7.029 -8.355 10.200 1.00 0.00 N ATOM 864 CA SER A 61 6.933 -9.257 9.064 1.00 0.00 C ATOM 865 C SER A 61 7.339 -8.548 7.774 1.00 0.00 C ATOM 866 O SER A 61 8.190 -9.052 7.035 1.00 0.00 O ATOM 867 CB SER A 61 5.495 -9.767 9.003 1.00 0.00 C ATOM 868 OG SER A 61 5.232 -10.565 10.137 1.00 0.00 O ATOM 0 H SER A 61 6.156 -8.264 10.720 1.00 0.00 H new ATOM 0 HA SER A 61 7.616 -10.098 9.180 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.801 -8.927 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.341 -10.347 8.093 1.00 0.00 H new ATOM 0 HG SER A 61 4.927 -9.996 10.874 1.00 0.00 H new ATOM 874 N VAL A 62 6.795 -7.355 7.529 1.00 0.00 N ATOM 875 CA VAL A 62 7.090 -6.592 6.332 1.00 0.00 C ATOM 876 C VAL A 62 8.549 -6.110 6.334 1.00 0.00 C ATOM 877 O VAL A 62 9.129 -5.973 5.258 1.00 0.00 O ATOM 878 CB VAL A 62 6.042 -5.464 6.174 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.519 -4.071 6.608 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.532 -5.420 4.735 1.00 0.00 C ATOM 0 H VAL A 62 6.138 -6.897 8.160 1.00 0.00 H new ATOM 0 HA VAL A 62 7.006 -7.222 5.447 1.00 0.00 H new ATOM 0 HB VAL A 62 5.236 -5.720 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.716 -3.349 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.797 -4.094 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.383 -3.780 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.795 -4.623 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.366 -5.231 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.070 -6.375 4.483 1.00 0.00 H new ATOM 890 N SER A 63 9.170 -5.878 7.500 1.00 0.00 N ATOM 891 CA SER A 63 10.588 -5.550 7.573 1.00 0.00 C ATOM 892 C SER A 63 11.394 -6.747 7.100 1.00 0.00 C ATOM 893 O SER A 63 12.298 -6.587 6.287 1.00 0.00 O ATOM 894 CB SER A 63 11.020 -5.165 8.994 1.00 0.00 C ATOM 895 OG SER A 63 12.351 -4.670 9.004 1.00 0.00 O ATOM 0 H SER A 63 8.703 -5.914 8.406 1.00 0.00 H new ATOM 0 HA SER A 63 10.770 -4.686 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.344 -4.408 9.391 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.946 -6.034 9.648 1.00 0.00 H new ATOM 0 HG SER A 63 12.604 -4.430 9.920 1.00 0.00 H new ATOM 901 N ASP A 64 11.086 -7.942 7.605 1.00 0.00 N ATOM 902 CA ASP A 64 11.778 -9.155 7.189 1.00 0.00 C ATOM 903 C ASP A 64 11.601 -9.360 5.688 1.00 0.00 C ATOM 904 O ASP A 64 12.553 -9.730 5.007 1.00 0.00 O ATOM 905 CB ASP A 64 11.292 -10.373 7.992 1.00 0.00 C ATOM 906 CG ASP A 64 12.096 -10.550 9.274 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.327 -10.756 9.194 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.532 -10.443 10.383 1.00 0.00 O ATOM 0 H ASP A 64 10.359 -8.092 8.305 1.00 0.00 H new ATOM 0 HA ASP A 64 12.842 -9.045 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.237 -10.252 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.377 -11.271 7.381 1.00 0.00 H new ATOM 913 N LEU A 65 10.407 -9.074 5.151 1.00 0.00 N ATOM 914 CA LEU A 65 10.133 -9.185 3.726 1.00 0.00 C ATOM 915 C LEU A 65 10.981 -8.210 2.914 1.00 0.00 C ATOM 916 O LEU A 65 11.617 -8.619 1.948 1.00 0.00 O ATOM 917 CB LEU A 65 8.633 -8.956 3.445 1.00 0.00 C ATOM 918 CG LEU A 65 8.164 -9.820 2.269 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.972 -11.263 2.746 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.852 -9.304 1.685 1.00 0.00 C ATOM 0 H LEU A 65 9.607 -8.759 5.700 1.00 0.00 H new ATOM 0 HA LEU A 65 10.400 -10.195 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.050 -9.196 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.456 -7.904 3.223 1.00 0.00 H new ATOM 0 HG LEU A 65 8.925 -9.775 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.638 -11.881 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.917 -11.649 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.224 -11.288 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.549 -9.940 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.080 -9.320 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.989 -8.283 1.330 1.00 0.00 H new ATOM 932 N LEU A 66 10.956 -6.925 3.275 1.00 0.00 N ATOM 933 CA LEU A 66 11.559 -5.861 2.482 1.00 0.00 C ATOM 934 C LEU A 66 13.074 -5.839 2.623 1.00 0.00 C ATOM 935 O LEU A 66 13.779 -5.593 1.647 1.00 0.00 O ATOM 936 CB LEU A 66 10.942 -4.507 2.884 1.00 0.00 C ATOM 937 CG LEU A 66 9.501 -4.335 2.362 1.00 0.00 C ATOM 938 CD1 LEU A 66 8.851 -3.055 2.888 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.503 -4.289 0.837 1.00 0.00 C ATOM 0 H LEU A 66 10.513 -6.595 4.132 1.00 0.00 H new ATOM 0 HA LEU A 66 11.346 -6.052 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.944 -4.419 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.564 -3.699 2.498 1.00 0.00 H new ATOM 0 HG LEU A 66 8.925 -5.188 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.837 -2.974 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.817 -3.085 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.435 -2.192 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.482 -4.167 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.110 -3.449 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.918 -5.218 0.446 1.00 0.00 H new ATOM 951 N SER A 67 13.575 -6.088 3.825 1.00 0.00 N ATOM 952 CA SER A 67 14.997 -6.222 4.103 1.00 0.00 C ATOM 953 C SER A 67 15.553 -7.469 3.412 1.00 0.00 C ATOM 954 O SER A 67 16.577 -7.363 2.728 1.00 0.00 O ATOM 955 CB SER A 67 15.260 -6.247 5.615 1.00 0.00 C ATOM 956 OG SER A 67 16.651 -6.184 5.867 1.00 0.00 O ATOM 0 H SER A 67 12.990 -6.205 4.652 1.00 0.00 H new ATOM 0 HA SER A 67 15.517 -5.353 3.700 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.757 -5.407 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.844 -7.156 6.049 1.00 0.00 H new ATOM 0 HG SER A 67 16.809 -6.199 6.834 1.00 0.00 H new ATOM 962 N ARG A 68 14.914 -8.638 3.572 1.00 0.00 N ATOM 963 CA ARG A 68 15.448 -9.914 3.098 1.00 0.00 C ATOM 964 C ARG A 68 14.361 -10.719 2.370 1.00 0.00 C ATOM 965 O ARG A 68 13.826 -11.684 2.924 1.00 0.00 O ATOM 966 CB ARG A 68 16.077 -10.700 4.265 1.00 0.00 C ATOM 967 CG ARG A 68 17.324 -10.021 4.858 1.00 0.00 C ATOM 968 CD ARG A 68 18.123 -11.038 5.678 1.00 0.00 C ATOM 969 NE ARG A 68 19.316 -10.467 6.333 1.00 0.00 N ATOM 970 CZ ARG A 68 19.471 -10.226 7.642 1.00 0.00 C ATOM 971 NH1 ARG A 68 18.436 -10.225 8.472 1.00 0.00 N ATOM 972 NH2 ARG A 68 20.683 -10.005 8.126 1.00 0.00 N ATOM 0 H ARG A 68 14.009 -8.720 4.036 1.00 0.00 H new ATOM 0 HA ARG A 68 16.240 -9.722 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.333 -10.826 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.346 -11.698 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.944 -9.616 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.028 -9.182 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.473 -11.469 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.433 -11.854 5.025 1.00 0.00 H new ATOM 0 HE ARG A 68 20.103 -10.232 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.498 -10.410 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.579 -10.039 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.491 -10.019 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.809 -9.821 9.121 1.00 0.00 H new ATOM 986 N PRO A 69 14.032 -10.388 1.111 1.00 0.00 N ATOM 987 CA PRO A 69 13.098 -11.176 0.316 1.00 0.00 C ATOM 988 C PRO A 69 13.755 -12.464 -0.179 1.00 0.00 C ATOM 989 O PRO A 69 14.858 -12.424 -0.729 1.00 0.00 O ATOM 990 CB PRO A 69 12.747 -10.286 -0.868 1.00 0.00 C ATOM 991 CG PRO A 69 14.007 -9.459 -1.075 1.00 0.00 C ATOM 992 CD PRO A 69 14.506 -9.237 0.352 1.00 0.00 C ATOM 0 HA PRO A 69 12.223 -11.470 0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.502 -10.873 -1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.884 -9.656 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.742 -9.987 -1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.794 -8.517 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.593 -9.168 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.116 -8.307 0.764 1.00 0.00 H new ATOM 1000 N LYS A 70 13.077 -13.605 -0.058 1.00 0.00 N ATOM 1001 CA LYS A 70 13.424 -14.791 -0.827 1.00 0.00 C ATOM 1002 C LYS A 70 13.046 -14.586 -2.307 1.00 0.00 C ATOM 1003 O LYS A 70 12.151 -13.790 -2.609 1.00 0.00 O ATOM 1004 CB LYS A 70 12.732 -16.023 -0.215 1.00 0.00 C ATOM 1005 CG LYS A 70 13.663 -16.759 0.770 1.00 0.00 C ATOM 1006 CD LYS A 70 14.021 -16.039 2.084 1.00 0.00 C ATOM 1007 CE LYS A 70 13.117 -16.356 3.279 1.00 0.00 C ATOM 1008 NZ LYS A 70 13.343 -17.712 3.820 1.00 0.00 N ATOM 0 H LYS A 70 12.282 -13.729 0.569 1.00 0.00 H new ATOM 0 HA LYS A 70 14.500 -14.961 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.824 -15.713 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.429 -16.704 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.198 -17.711 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.592 -16.987 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.047 -16.294 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.996 -14.964 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.291 -15.622 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.074 -16.259 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.706 -17.875 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.152 -18.417 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.330 -17.800 4.135 1.00 0.00 H new ATOM 1022 N PRO A 71 13.680 -15.324 -3.235 1.00 0.00 N ATOM 1023 CA PRO A 71 13.397 -15.249 -4.664 1.00 0.00 C ATOM 1024 C PRO A 71 12.041 -15.872 -5.001 1.00 0.00 C ATOM 1025 O PRO A 71 11.524 -16.711 -4.258 1.00 0.00 O ATOM 1026 CB PRO A 71 14.545 -16.003 -5.341 1.00 0.00 C ATOM 1027 CG PRO A 71 15.030 -16.982 -4.291 1.00 0.00 C ATOM 1028 CD PRO A 71 14.748 -16.270 -2.969 1.00 0.00 C ATOM 0 HA PRO A 71 13.335 -14.217 -5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.205 -16.520 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.340 -15.323 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.499 -17.932 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.091 -17.201 -4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.453 -16.983 -2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.639 -15.758 -2.605 1.00 0.00 H new ATOM 1036 N TRP A 72 11.512 -15.546 -6.183 1.00 0.00 N ATOM 1037 CA TRP A 72 10.232 -16.048 -6.679 1.00 0.00 C ATOM 1038 C TRP A 72 10.140 -17.575 -6.586 1.00 0.00 C ATOM 1039 O TRP A 72 9.164 -18.099 -6.049 1.00 0.00 O ATOM 1040 CB TRP A 72 10.040 -15.568 -8.120 1.00 0.00 C ATOM 1041 CG TRP A 72 8.694 -15.831 -8.726 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.394 -16.789 -9.635 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.471 -15.061 -8.551 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.095 -16.628 -10.078 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.482 -15.575 -9.440 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.118 -13.941 -7.770 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.211 -15.001 -9.554 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 5.829 -13.384 -7.849 1.00 0.00 C ATOM 1049 CH2 TRP A 72 4.882 -13.907 -8.747 1.00 0.00 C ATOM 0 H TRP A 72 11.973 -14.911 -6.835 1.00 0.00 H new ATOM 0 HA TRP A 72 9.432 -15.655 -6.052 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.228 -14.495 -8.153 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.797 -16.043 -8.744 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.070 -17.564 -9.965 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.650 -17.213 -10.785 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.847 -13.505 -7.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.493 -15.398 -10.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.565 -12.550 -7.216 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.900 -13.464 -8.814 1.00 0.00 H new ATOM 1060 N HIS A 73 11.168 -18.293 -7.058 1.00 0.00 N ATOM 1061 CA HIS A 73 11.177 -19.755 -7.098 1.00 0.00 C ATOM 1062 C HIS A 73 11.175 -20.402 -5.704 1.00 0.00 C ATOM 1063 O HIS A 73 10.775 -21.560 -5.569 1.00 0.00 O ATOM 1064 CB HIS A 73 12.386 -20.249 -7.910 1.00 0.00 C ATOM 1065 CG HIS A 73 13.714 -20.167 -7.188 1.00 0.00 C ATOM 1066 ND1 HIS A 73 14.707 -19.239 -7.405 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.170 -21.037 -6.232 1.00 0.00 C ATOM 1068 CE1 HIS A 73 15.726 -19.525 -6.580 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.455 -20.630 -5.863 1.00 0.00 N ATOM 0 H HIS A 73 12.021 -17.870 -7.424 1.00 0.00 H new ATOM 0 HA HIS A 73 10.250 -20.062 -7.582 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.211 -21.284 -8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.451 -19.666 -8.828 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.632 -21.885 -5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.636 -18.949 -6.503 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.067 -21.082 -5.184 1.00 0.00 H new ATOM 1077 N LYS A 74 11.673 -19.702 -4.676 1.00 0.00 N ATOM 1078 CA LYS A 74 11.682 -20.190 -3.295 1.00 0.00 C ATOM 1079 C LYS A 74 10.275 -20.114 -2.717 1.00 0.00 C ATOM 1080 O LYS A 74 9.909 -20.948 -1.888 1.00 0.00 O ATOM 1081 CB LYS A 74 12.663 -19.347 -2.454 1.00 0.00 C ATOM 1082 CG LYS A 74 14.112 -19.822 -2.603 1.00 0.00 C ATOM 1083 CD LYS A 74 14.531 -20.873 -1.585 1.00 0.00 C ATOM 1084 CE LYS A 74 15.972 -21.256 -1.930 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.504 -22.278 -1.018 1.00 0.00 N ATOM 0 H LYS A 74 12.084 -18.774 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 74 12.011 -21.229 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.592 -18.302 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.373 -19.395 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.248 -20.228 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.776 -18.962 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.466 -20.479 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.876 -21.743 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.013 -21.627 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.603 -20.368 -1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.482 -22.508 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.489 -21.915 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.918 -23.135 -1.077 1.00 0.00 H new ATOM 1099 N LEU A 75 9.510 -19.103 -3.119 1.00 0.00 N ATOM 1100 CA LEU A 75 8.145 -18.866 -2.683 1.00 0.00 C ATOM 1101 C LEU A 75 7.198 -19.760 -3.494 1.00 0.00 C ATOM 1102 O LEU A 75 7.551 -20.244 -4.568 1.00 0.00 O ATOM 1103 CB LEU A 75 7.818 -17.377 -2.897 1.00 0.00 C ATOM 1104 CG LEU A 75 8.725 -16.398 -2.121 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.613 -14.988 -2.697 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.371 -16.358 -0.635 1.00 0.00 C ATOM 0 H LEU A 75 9.840 -18.402 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 75 8.025 -19.108 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.891 -17.153 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.783 -17.201 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 75 9.748 -16.759 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.260 -14.313 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.918 -14.997 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.581 -14.646 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.031 -15.658 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.337 -16.035 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.493 -17.352 -0.205 1.00 0.00 H new ATOM 1118 N SER A 76 5.975 -19.948 -3.002 1.00 0.00 N ATOM 1119 CA SER A 76 4.805 -20.452 -3.729 1.00 0.00 C ATOM 1120 C SER A 76 3.782 -19.312 -3.821 1.00 0.00 C ATOM 1121 O SER A 76 4.072 -18.223 -3.331 1.00 0.00 O ATOM 1122 CB SER A 76 4.225 -21.656 -2.979 1.00 0.00 C ATOM 1123 OG SER A 76 5.235 -22.600 -2.696 1.00 0.00 O ATOM 0 H SER A 76 5.758 -19.741 -2.027 1.00 0.00 H new ATOM 0 HA SER A 76 5.074 -20.779 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.761 -21.323 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.442 -22.122 -3.578 1.00 0.00 H new ATOM 0 HG SER A 76 4.846 -23.361 -2.216 1.00 0.00 H new ATOM 1129 N LEU A 77 2.581 -19.545 -4.364 1.00 0.00 N ATOM 1130 CA LEU A 77 1.505 -18.547 -4.489 1.00 0.00 C ATOM 1131 C LEU A 77 1.350 -17.677 -3.238 1.00 0.00 C ATOM 1132 O LEU A 77 1.628 -16.486 -3.286 1.00 0.00 O ATOM 1133 CB LEU A 77 0.160 -19.197 -4.840 1.00 0.00 C ATOM 1134 CG LEU A 77 0.130 -20.051 -6.114 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -1.308 -20.497 -6.357 1.00 0.00 C ATOM 1136 CD2 LEU A 77 0.659 -19.321 -7.349 1.00 0.00 C ATOM 0 H LEU A 77 2.321 -20.457 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 77 1.807 -17.897 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.147 -19.822 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.586 -18.408 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 77 0.793 -20.902 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.352 -21.107 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.656 -21.083 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.945 -19.621 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.609 -19.984 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.052 -18.435 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.694 -19.023 -7.180 1.00 0.00 H new ATOM 1148 N LYS A 78 0.976 -18.257 -2.097 1.00 0.00 N ATOM 1149 CA LYS A 78 0.879 -17.579 -0.803 1.00 0.00 C ATOM 1150 C LYS A 78 2.132 -16.813 -0.370 1.00 0.00 C ATOM 1151 O LYS A 78 2.033 -15.814 0.345 1.00 0.00 O ATOM 1152 CB LYS A 78 0.421 -18.541 0.302 1.00 0.00 C ATOM 1153 CG LYS A 78 1.173 -19.881 0.388 1.00 0.00 C ATOM 1154 CD LYS A 78 0.655 -20.912 -0.628 1.00 0.00 C ATOM 1155 CE LYS A 78 0.945 -22.352 -0.211 1.00 0.00 C ATOM 1156 NZ LYS A 78 0.035 -22.802 0.860 1.00 0.00 N ATOM 0 H LYS A 78 0.724 -19.244 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 78 0.118 -16.814 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.516 -18.032 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.639 -18.751 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.236 -19.709 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.073 -20.286 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.420 -20.784 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.113 -20.721 -1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.844 -23.009 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.977 -22.432 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.216 -23.804 1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.198 -22.234 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.951 -22.686 0.550 1.00 0.00 H new ATOM 1170 N GLY A 79 3.305 -17.277 -0.795 1.00 0.00 N ATOM 1171 CA GLY A 79 4.581 -16.604 -0.624 1.00 0.00 C ATOM 1172 C GLY A 79 4.692 -15.359 -1.484 1.00 0.00 C ATOM 1173 O GLY A 79 5.243 -14.349 -1.055 1.00 0.00 O ATOM 0 H GLY A 79 3.391 -18.167 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.709 -16.332 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.389 -17.291 -0.876 1.00 0.00 H new ATOM 1177 N ARG A 80 4.203 -15.437 -2.713 1.00 0.00 N ATOM 1178 CA ARG A 80 4.327 -14.422 -3.750 1.00 0.00 C ATOM 1179 C ARG A 80 3.205 -13.395 -3.655 1.00 0.00 C ATOM 1180 O ARG A 80 3.416 -12.275 -4.101 1.00 0.00 O ATOM 1181 CB ARG A 80 4.290 -15.121 -5.111 1.00 0.00 C ATOM 1182 CG ARG A 80 5.487 -16.054 -5.301 1.00 0.00 C ATOM 1183 CD ARG A 80 5.203 -16.988 -6.477 1.00 0.00 C ATOM 1184 NE ARG A 80 6.267 -17.977 -6.659 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.194 -19.044 -7.458 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.236 -19.180 -8.369 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.082 -20.013 -7.294 1.00 0.00 N ATOM 0 H ARG A 80 3.681 -16.254 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 80 5.268 -13.888 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.366 -15.692 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.282 -14.373 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.391 -15.475 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.662 -16.632 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.255 -17.501 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.094 -16.401 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 80 7.131 -17.840 -6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.526 -18.455 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.211 -20.009 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.798 -19.932 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.050 -20.840 -7.890 1.00 0.00 H new ATOM 1201 N GLU A 81 2.080 -13.744 -3.021 1.00 0.00 N ATOM 1202 CA GLU A 81 0.908 -12.913 -2.750 1.00 0.00 C ATOM 1203 C GLU A 81 1.302 -11.455 -2.493 1.00 0.00 C ATOM 1204 O GLU A 81 0.888 -10.598 -3.278 1.00 0.00 O ATOM 1205 CB GLU A 81 0.094 -13.525 -1.582 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.328 -13.913 -1.969 1.00 0.00 C ATOM 1207 CD GLU A 81 -2.090 -14.606 -0.830 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.956 -15.831 -0.654 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.849 -13.909 -0.116 1.00 0.00 O ATOM 0 H GLU A 81 1.959 -14.689 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 81 0.268 -12.899 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.614 -14.408 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.056 -12.808 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.873 -13.019 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.296 -14.576 -2.834 1.00 0.00 H new ATOM 1216 N PRO A 82 2.144 -11.164 -1.484 1.00 0.00 N ATOM 1217 CA PRO A 82 2.510 -9.799 -1.190 1.00 0.00 C ATOM 1218 C PRO A 82 3.330 -9.205 -2.334 1.00 0.00 C ATOM 1219 O PRO A 82 3.004 -8.116 -2.784 1.00 0.00 O ATOM 1220 CB PRO A 82 3.240 -9.829 0.160 1.00 0.00 C ATOM 1221 CG PRO A 82 3.753 -11.262 0.284 1.00 0.00 C ATOM 1222 CD PRO A 82 2.731 -12.075 -0.507 1.00 0.00 C ATOM 0 HA PRO A 82 1.645 -9.142 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.059 -9.110 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.569 -9.575 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.756 -11.367 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.802 -11.582 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.208 -12.921 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.965 -12.483 0.153 1.00 0.00 H new ATOM 1230 N PHE A 83 4.368 -9.882 -2.843 1.00 0.00 N ATOM 1231 CA PHE A 83 5.265 -9.325 -3.862 1.00 0.00 C ATOM 1232 C PHE A 83 4.519 -8.919 -5.125 1.00 0.00 C ATOM 1233 O PHE A 83 4.863 -7.907 -5.737 1.00 0.00 O ATOM 1234 CB PHE A 83 6.390 -10.296 -4.225 1.00 0.00 C ATOM 1235 CG PHE A 83 7.287 -10.659 -3.065 1.00 0.00 C ATOM 1236 CD1 PHE A 83 6.952 -11.714 -2.196 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.442 -9.897 -2.826 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.767 -12.006 -1.088 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.240 -10.174 -1.707 1.00 0.00 C ATOM 1240 CZ PHE A 83 8.912 -11.230 -0.840 1.00 0.00 C ATOM 0 H PHE A 83 4.609 -10.832 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 83 5.702 -8.432 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.952 -11.208 -4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.997 -9.854 -5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.065 -12.302 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.715 -9.100 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.514 -12.824 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.114 -9.571 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.538 -11.444 0.014 1.00 0.00 H new ATOM 1250 N VAL A 84 3.495 -9.679 -5.504 1.00 0.00 N ATOM 1251 CA VAL A 84 2.643 -9.288 -6.606 1.00 0.00 C ATOM 1252 C VAL A 84 1.852 -8.041 -6.221 1.00 0.00 C ATOM 1253 O VAL A 84 1.842 -7.088 -6.999 1.00 0.00 O ATOM 1254 CB VAL A 84 1.777 -10.466 -7.068 1.00 0.00 C ATOM 1255 CG1 VAL A 84 1.047 -10.100 -8.358 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.631 -11.703 -7.376 1.00 0.00 C ATOM 0 H VAL A 84 3.242 -10.563 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 84 3.245 -9.018 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 84 1.079 -10.685 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.434 -10.942 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.410 -9.233 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.775 -9.864 -9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.986 -12.519 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.342 -11.466 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.173 -12.004 -6.479 1.00 0.00 H new ATOM 1266 N ARG A 85 1.248 -7.987 -5.021 1.00 0.00 N ATOM 1267 CA ARG A 85 0.565 -6.774 -4.589 1.00 0.00 C ATOM 1268 C ARG A 85 1.532 -5.591 -4.632 1.00 0.00 C ATOM 1269 O ARG A 85 1.172 -4.576 -5.210 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.079 -6.911 -3.204 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.327 -7.799 -3.192 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.959 -7.769 -1.798 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.277 -8.423 -1.767 1.00 0.00 N ATOM 1274 CZ ARG A 85 -3.958 -8.726 -0.654 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -3.534 -8.327 0.540 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.083 -9.418 -0.770 1.00 0.00 N ATOM 0 H ARG A 85 1.223 -8.756 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.255 -6.596 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.655 -7.321 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.345 -5.920 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.043 -7.449 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.062 -8.821 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.294 -8.263 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.062 -6.734 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.705 -8.664 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.677 -7.780 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.066 -8.567 1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.411 -9.707 -1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.620 -9.661 0.062 1.00 0.00 H new ATOM 1290 N MET A 86 2.760 -5.703 -4.110 1.00 0.00 N ATOM 1291 CA MET A 86 3.787 -4.685 -4.210 1.00 0.00 C ATOM 1292 C MET A 86 4.009 -4.234 -5.652 1.00 0.00 C ATOM 1293 O MET A 86 3.951 -3.037 -5.915 1.00 0.00 O ATOM 1294 CB MET A 86 5.086 -5.202 -3.576 1.00 0.00 C ATOM 1295 CG MET A 86 4.944 -5.396 -2.064 1.00 0.00 C ATOM 1296 SD MET A 86 5.277 -6.971 -1.240 1.00 0.00 S ATOM 1297 CE MET A 86 7.037 -7.178 -1.486 1.00 0.00 C ATOM 0 H MET A 86 3.064 -6.529 -3.595 1.00 0.00 H new ATOM 0 HA MET A 86 3.452 -3.804 -3.662 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.365 -6.149 -4.039 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.894 -4.499 -3.778 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.594 -4.657 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.919 -5.125 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.365 -8.102 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.252 -7.224 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.568 -6.334 -1.045 1.00 0.00 H new ATOM 1307 N GLN A 87 4.266 -5.158 -6.581 1.00 0.00 N ATOM 1308 CA GLN A 87 4.519 -4.818 -7.977 1.00 0.00 C ATOM 1309 C GLN A 87 3.364 -4.000 -8.581 1.00 0.00 C ATOM 1310 O GLN A 87 3.617 -3.029 -9.299 1.00 0.00 O ATOM 1311 CB GLN A 87 4.774 -6.078 -8.808 1.00 0.00 C ATOM 1312 CG GLN A 87 5.293 -5.743 -10.216 1.00 0.00 C ATOM 1313 CD GLN A 87 6.739 -5.242 -10.248 1.00 0.00 C ATOM 1314 OE1 GLN A 87 7.075 -4.156 -9.773 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.631 -6.039 -10.805 1.00 0.00 N ATOM 0 H GLN A 87 4.304 -6.158 -6.385 1.00 0.00 H new ATOM 0 HA GLN A 87 5.415 -4.198 -8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.499 -6.710 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.851 -6.652 -8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.214 -6.632 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.647 -4.984 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.341 -6.936 -11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.611 -5.758 -10.846 1.00 0.00 H new ATOM 1324 N LEU A 88 2.108 -4.393 -8.337 1.00 0.00 N ATOM 1325 CA LEU A 88 0.958 -3.688 -8.901 1.00 0.00 C ATOM 1326 C LEU A 88 0.656 -2.403 -8.137 1.00 0.00 C ATOM 1327 O LEU A 88 0.297 -1.415 -8.771 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.302 -4.567 -8.964 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.380 -5.596 -10.115 1.00 0.00 C ATOM 1330 CD1 LEU A 88 0.060 -5.049 -11.479 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.405 -6.866 -9.808 1.00 0.00 C ATOM 0 H LEU A 88 1.866 -5.194 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 88 1.237 -3.433 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.387 -5.106 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.170 -3.911 -9.036 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.442 -5.832 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.025 -5.834 -12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.577 -4.210 -11.757 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.096 -4.714 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.320 -7.558 -10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.454 -6.616 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.003 -7.334 -8.909 1.00 0.00 H new ATOM 1343 N TRP A 89 0.852 -2.354 -6.816 1.00 0.00 N ATOM 1344 CA TRP A 89 0.714 -1.130 -6.036 1.00 0.00 C ATOM 1345 C TRP A 89 1.693 -0.098 -6.594 1.00 0.00 C ATOM 1346 O TRP A 89 1.347 1.059 -6.790 1.00 0.00 O ATOM 1347 CB TRP A 89 0.953 -1.410 -4.546 1.00 0.00 C ATOM 1348 CG TRP A 89 0.816 -0.217 -3.645 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.319 0.190 -3.039 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.843 0.727 -3.227 1.00 0.00 C ATOM 1351 NE1 TRP A 89 -0.077 1.341 -2.315 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.255 1.695 -2.360 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.223 0.841 -3.489 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.001 2.733 -1.777 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 3.985 1.864 -2.901 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.381 2.811 -2.051 1.00 0.00 C ATOM 0 H TRP A 89 1.112 -3.168 -6.259 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.299 -0.736 -6.116 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.250 -2.176 -4.219 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.954 -1.824 -4.426 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.274 -0.310 -3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.793 1.863 -1.811 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.701 0.133 -4.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.526 3.457 -1.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.044 1.925 -3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.976 3.597 -1.609 1.00 0.00 H new ATOM 1367 N LEU A 90 2.907 -0.518 -6.947 1.00 0.00 N ATOM 1368 CA LEU A 90 3.898 0.349 -7.571 1.00 0.00 C ATOM 1369 C LEU A 90 3.485 0.878 -8.951 1.00 0.00 C ATOM 1370 O LEU A 90 4.075 1.853 -9.415 1.00 0.00 O ATOM 1371 CB LEU A 90 5.214 -0.413 -7.705 1.00 0.00 C ATOM 1372 CG LEU A 90 5.996 -0.588 -6.397 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.089 -1.624 -6.664 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.574 0.739 -5.905 1.00 0.00 C ATOM 0 H LEU A 90 3.230 -1.475 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 90 3.999 1.219 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.005 -1.399 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.847 0.108 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 90 5.337 -0.932 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.672 -1.780 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.631 -2.566 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.744 -1.266 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.121 0.576 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.250 1.143 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.763 1.446 -5.729 1.00 0.00 H new ATOM 1386 N ASN A 91 2.516 0.244 -9.619 1.00 0.00 N ATOM 1387 CA ASN A 91 2.020 0.640 -10.938 1.00 0.00 C ATOM 1388 C ASN A 91 0.699 1.414 -10.853 1.00 0.00 C ATOM 1389 O ASN A 91 0.317 2.037 -11.846 1.00 0.00 O ATOM 1390 CB ASN A 91 1.827 -0.596 -11.839 1.00 0.00 C ATOM 1391 CG ASN A 91 3.122 -1.099 -12.463 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.704 -0.455 -13.334 1.00 0.00 O ATOM 1393 ND2 ASN A 91 3.597 -2.268 -12.067 1.00 0.00 N ATOM 0 H ASN A 91 2.044 -0.580 -9.246 1.00 0.00 H new ATOM 0 HA ASN A 91 2.773 1.299 -11.370 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.380 -1.398 -11.252 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.121 -0.351 -12.633 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.450 -2.640 -12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.110 -2.798 -11.344 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.020 1.373 -9.726 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.227 2.179 -9.527 1.00 0.00 C ATOM 1402 C ASP A 92 -0.776 3.633 -9.426 1.00 0.00 C ATOM 1403 O ASP A 92 0.104 3.926 -8.624 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.959 1.817 -8.222 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.482 1.816 -8.324 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -4.049 2.854 -8.737 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.121 0.846 -7.856 1.00 0.00 O ATOM 0 H ASP A 92 0.218 0.782 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.913 2.000 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.629 0.830 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.661 2.523 -7.446 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.351 4.579 -10.166 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.992 5.977 -10.029 1.00 0.00 C ATOM 1414 C PRO A 93 -1.566 6.562 -8.732 1.00 0.00 C ATOM 1415 O PRO A 93 -1.013 7.515 -8.175 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.541 6.644 -11.286 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.693 5.743 -11.730 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.382 4.368 -11.149 1.00 0.00 C ATOM 0 HA PRO A 93 0.083 6.137 -9.949 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.887 7.656 -11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.777 6.721 -12.060 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.648 6.117 -11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.763 5.703 -12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.269 3.926 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.046 3.682 -11.927 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.646 5.979 -8.202 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.320 6.421 -6.984 1.00 0.00 C ATOM 1428 C HIS A 94 -2.841 5.624 -5.762 1.00 0.00 C ATOM 1429 O HIS A 94 -3.535 5.563 -4.749 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.835 6.321 -7.190 1.00 0.00 C ATOM 1431 CG HIS A 94 -5.299 7.060 -8.415 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.330 8.427 -8.589 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.652 6.477 -9.600 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.702 8.659 -9.859 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.904 7.502 -10.512 1.00 0.00 N ATOM 0 H HIS A 94 -3.086 5.162 -8.624 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.067 7.462 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.119 5.272 -7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.345 6.721 -6.313 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.723 5.417 -9.794 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.822 9.640 -10.295 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -6.187 7.394 -11.486 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.684 4.975 -5.863 1.00 0.00 N ATOM 1444 CA ASN A 95 -1.052 4.143 -4.848 1.00 0.00 C ATOM 1445 C ASN A 95 -0.730 4.901 -3.564 1.00 0.00 C ATOM 1446 O ASN A 95 -1.334 4.619 -2.531 1.00 0.00 O ATOM 1447 CB ASN A 95 0.172 3.443 -5.451 1.00 0.00 C ATOM 1448 CG ASN A 95 1.234 4.332 -6.095 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.100 5.551 -6.179 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.277 3.745 -6.635 1.00 0.00 N ATOM 0 H ASN A 95 -1.126 5.021 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.768 3.382 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.650 2.860 -4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.179 2.736 -6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.978 4.301 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.386 2.733 -6.564 1.00 0.00 H new ATOM 1457 N VAL A 96 0.189 5.865 -3.607 1.00 0.00 N ATOM 1458 CA VAL A 96 0.598 6.669 -2.476 1.00 0.00 C ATOM 1459 C VAL A 96 -0.607 7.431 -1.923 1.00 0.00 C ATOM 1460 O VAL A 96 -0.736 7.579 -0.715 1.00 0.00 O ATOM 1461 CB VAL A 96 1.720 7.629 -2.920 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.271 8.317 -1.679 1.00 0.00 C ATOM 1463 CG2 VAL A 96 2.877 6.922 -3.647 1.00 0.00 C ATOM 0 H VAL A 96 0.682 6.110 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 96 0.984 6.033 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 96 1.287 8.336 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.068 9.003 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.473 8.874 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.667 7.568 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.631 7.656 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.324 6.181 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.497 6.428 -4.541 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.503 7.883 -2.798 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.731 8.578 -2.449 1.00 0.00 C ATOM 1475 C GLU A 97 -3.603 7.718 -1.535 1.00 0.00 C ATOM 1476 O GLU A 97 -3.871 8.108 -0.397 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.439 8.964 -3.758 1.00 0.00 C ATOM 1478 CG GLU A 97 -3.124 10.416 -4.123 1.00 0.00 C ATOM 1479 CD GLU A 97 -4.206 11.330 -3.555 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -4.181 11.636 -2.343 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -5.153 11.661 -4.307 1.00 0.00 O ATOM 0 H GLU A 97 -1.385 7.769 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.517 9.484 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.118 8.302 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.516 8.835 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.149 10.699 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.071 10.527 -5.206 1.00 0.00 H new ATOM 1488 N LYS A 98 -4.015 6.532 -1.997 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.797 5.626 -1.160 1.00 0.00 C ATOM 1490 C LYS A 98 -4.013 5.229 0.087 1.00 0.00 C ATOM 1491 O LYS A 98 -4.624 5.051 1.138 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.250 4.378 -1.941 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.659 4.508 -2.538 1.00 0.00 C ATOM 1494 CD LYS A 98 -6.749 5.317 -3.842 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.948 4.410 -5.069 1.00 0.00 C ATOM 1496 NZ LYS A 98 -5.816 3.488 -5.301 1.00 0.00 N ATOM 0 H LYS A 98 -3.821 6.183 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.694 6.161 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.540 4.184 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.223 3.514 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.051 3.508 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.308 4.973 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.577 6.023 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.839 5.904 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.861 3.829 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.089 5.032 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.854 3.131 -6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.920 3.994 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.877 2.690 -4.637 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.686 5.086 0.017 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.919 4.707 1.196 1.00 0.00 C ATOM 1512 C LEU A 99 -1.893 5.834 2.228 1.00 0.00 C ATOM 1513 O LEU A 99 -1.990 5.578 3.425 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.484 4.296 0.819 1.00 0.00 C ATOM 1515 CG LEU A 99 0.278 3.665 1.999 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.483 2.506 2.626 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.618 3.087 1.541 1.00 0.00 C ATOM 0 H LEU A 99 -2.134 5.225 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.417 3.846 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.518 3.587 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.060 5.172 0.466 1.00 0.00 H new ATOM 0 HG LEU A 99 0.409 4.471 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.096 2.095 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.445 2.860 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.646 1.731 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.135 2.648 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.444 2.319 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.231 3.882 1.115 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.763 7.091 1.802 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.780 8.214 2.730 1.00 0.00 C ATOM 1531 C ARG A 100 -3.162 8.367 3.343 1.00 0.00 C ATOM 1532 O ARG A 100 -3.252 8.721 4.520 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.379 9.524 2.025 1.00 0.00 C ATOM 1534 CG ARG A 100 0.139 9.658 1.861 1.00 0.00 C ATOM 1535 CD ARG A 100 0.507 11.023 1.274 1.00 0.00 C ATOM 1536 NE ARG A 100 0.551 12.077 2.307 1.00 0.00 N ATOM 1537 CZ ARG A 100 0.479 13.394 2.079 1.00 0.00 C ATOM 1538 NH1 ARG A 100 0.189 13.850 0.867 1.00 0.00 N ATOM 1539 NH2 ARG A 100 0.699 14.264 3.061 1.00 0.00 N ATOM 0 H ARG A 100 -1.645 7.353 0.823 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.054 8.009 3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.853 9.565 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.756 10.372 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.626 9.530 2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.510 8.866 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.478 10.956 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.219 11.296 0.509 1.00 0.00 H new ATOM 0 HE ARG A 100 0.644 11.776 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.020 13.196 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.136 14.855 0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.925 13.929 3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.642 15.266 2.877 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.218 8.107 2.573 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.607 8.163 3.021 1.00 0.00 C ATOM 1555 C ASP A 101 -5.868 7.226 4.199 1.00 0.00 C ATOM 1556 O ASP A 101 -6.558 7.616 5.134 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.532 7.872 1.837 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.992 8.126 2.189 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.418 9.300 2.134 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.740 7.140 2.392 1.00 0.00 O ATOM 0 H ASP A 101 -4.127 7.844 1.592 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.817 9.167 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.247 8.497 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.408 6.835 1.524 1.00 0.00 H new