USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 688 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 76 THR OG1 : rot 180:sc= -1.18 USER MOD Set 1.2: A 79 GLN : amide:sc= -0.674 K(o=-1.9,f=-4.3) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.241 K(o=-1.3,f=-4.3!) USER MOD Set 2.2: A 44 SER OG : rot 140:sc= -1.02 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 56:sc= 0.173 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 55 SER OG : rot 68:sc= 0.798 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0721 K(o=-0.072,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.036) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -0.478 K(o=-0.48,f=-1.7) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 72:sc= 0.00227 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 96 GLN : amide:sc= -1.99! C(o=-2!,f=-2.9!) USER MOD Single : A 97 TYR OH : rot 100:sc= 0.262 USER MOD Single : A 102 TYR OH : rot -30:sc= -1.14 USER MOD Single : A 103 SER OG : rot -127:sc= -0.022 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.626 10.264 -8.712 1.00 0.00 N ATOM 165 CA GLU A 15 -6.879 8.917 -9.196 1.00 0.00 C ATOM 166 C GLU A 15 -5.791 7.962 -8.701 1.00 0.00 C ATOM 167 O GLU A 15 -4.806 8.394 -8.104 1.00 0.00 O ATOM 168 CB GLU A 15 -6.978 8.892 -10.722 1.00 0.00 C ATOM 169 CG GLU A 15 -8.417 8.641 -11.175 1.00 0.00 C ATOM 170 CD GLU A 15 -8.478 8.354 -12.677 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.381 9.334 -13.447 1.00 0.00 O ATOM 172 OE2 GLU A 15 -8.619 7.161 -13.021 1.00 0.00 O ATOM 0 HA GLU A 15 -7.837 8.583 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.625 9.840 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.327 8.113 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.834 7.799 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.032 9.510 -10.942 1.00 0.00 H new ATOM 179 N PRO A 16 -6.012 6.649 -8.974 1.00 0.00 N ATOM 180 CA PRO A 16 -5.062 5.629 -8.563 1.00 0.00 C ATOM 181 C PRO A 16 -3.822 5.642 -9.458 1.00 0.00 C ATOM 182 O PRO A 16 -3.935 5.724 -10.680 1.00 0.00 O ATOM 183 CB PRO A 16 -5.833 4.321 -8.635 1.00 0.00 C ATOM 184 CG PRO A 16 -7.036 4.595 -9.523 1.00 0.00 C ATOM 185 CD PRO A 16 -7.168 6.101 -9.678 1.00 0.00 C ATOM 0 HA PRO A 16 -4.677 5.794 -7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.214 3.525 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.146 3.997 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.908 4.121 -10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.940 4.176 -9.081 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.167 6.393 -10.728 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.102 6.463 -9.248 1.00 0.00 H new ATOM 193 N ARG A 17 -2.666 5.561 -8.815 1.00 0.00 N ATOM 194 CA ARG A 17 -1.406 5.562 -9.538 1.00 0.00 C ATOM 195 C ARG A 17 -0.651 4.255 -9.291 1.00 0.00 C ATOM 196 O ARG A 17 -0.552 3.796 -8.154 1.00 0.00 O ATOM 197 CB ARG A 17 -0.527 6.739 -9.110 1.00 0.00 C ATOM 198 CG ARG A 17 -0.062 6.578 -7.661 1.00 0.00 C ATOM 199 CD ARG A 17 -0.254 7.877 -6.876 1.00 0.00 C ATOM 200 NE ARG A 17 0.503 8.974 -7.519 1.00 0.00 N ATOM 201 CZ ARG A 17 0.550 10.229 -7.052 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.117 10.554 -5.936 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.263 11.160 -7.701 1.00 0.00 N ATOM 0 H ARG A 17 -2.576 5.494 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.633 5.659 -10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.339 6.809 -9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.083 7.670 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.622 5.774 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.989 6.290 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.313 8.132 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.085 7.744 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 17 1.022 8.761 -8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.660 9.846 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.081 11.509 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.770 10.913 -8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.298 12.115 -7.345 1.00 0.00 H new ATOM 217 N LYS A 18 -0.137 3.692 -10.375 1.00 0.00 N ATOM 218 CA LYS A 18 0.606 2.446 -10.291 1.00 0.00 C ATOM 219 C LYS A 18 1.986 2.720 -9.688 1.00 0.00 C ATOM 220 O LYS A 18 2.848 3.303 -10.342 1.00 0.00 O ATOM 221 CB LYS A 18 0.658 1.759 -11.657 1.00 0.00 C ATOM 222 CG LYS A 18 0.923 0.260 -11.507 1.00 0.00 C ATOM 223 CD LYS A 18 -0.081 -0.559 -12.322 1.00 0.00 C ATOM 224 CE LYS A 18 -0.085 -0.120 -13.788 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.689 -1.167 -14.641 1.00 0.00 N ATOM 0 H LYS A 18 -0.221 4.076 -11.316 1.00 0.00 H new ATOM 0 HA LYS A 18 0.100 1.745 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.284 1.915 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.441 2.211 -12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.937 0.032 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.859 -0.021 -10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.170 -1.618 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.079 -0.441 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.643 0.810 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.935 0.081 -14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.684 -0.853 -15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.140 -2.046 -14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.669 -1.339 -14.338 1.00 0.00 H new ATOM 239 N ILE A 19 2.151 2.286 -8.447 1.00 0.00 N ATOM 240 CA ILE A 19 3.410 2.478 -7.748 1.00 0.00 C ATOM 241 C ILE A 19 4.111 1.127 -7.590 1.00 0.00 C ATOM 242 O ILE A 19 3.665 0.279 -6.818 1.00 0.00 O ATOM 243 CB ILE A 19 3.183 3.211 -6.425 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.536 4.578 -6.660 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.485 3.322 -5.629 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.457 4.861 -5.612 1.00 0.00 C ATOM 0 H ILE A 19 1.433 1.802 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 19 4.075 3.117 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 19 2.488 2.625 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.298 5.356 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.097 4.610 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.296 3.847 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.866 2.324 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.222 3.874 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.013 5.838 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.684 4.094 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.904 4.852 -4.618 1.00 0.00 H new ATOM 258 N ILE A 20 5.196 0.968 -8.334 1.00 0.00 N ATOM 259 CA ILE A 20 5.963 -0.265 -8.286 1.00 0.00 C ATOM 260 C ILE A 20 7.202 -0.057 -7.412 1.00 0.00 C ATOM 261 O ILE A 20 8.090 0.719 -7.764 1.00 0.00 O ATOM 262 CB ILE A 20 6.282 -0.753 -9.700 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.032 -1.312 -10.383 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.429 -1.766 -9.685 1.00 0.00 C ATOM 265 CD1 ILE A 20 4.879 -0.745 -11.796 1.00 0.00 C ATOM 0 H ILE A 20 5.562 1.673 -8.974 1.00 0.00 H new ATOM 0 HA ILE A 20 5.377 -1.060 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 20 6.615 0.102 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.094 -2.399 -10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.150 -1.067 -9.792 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.636 -2.097 -10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.321 -1.299 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.148 -2.624 -9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.983 -1.158 -12.259 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.793 0.340 -11.745 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.752 -1.013 -12.392 1.00 0.00 H new ATOM 277 N LEU A 21 7.222 -0.763 -6.291 1.00 0.00 N ATOM 278 CA LEU A 21 8.337 -0.665 -5.365 1.00 0.00 C ATOM 279 C LEU A 21 9.196 -1.926 -5.474 1.00 0.00 C ATOM 280 O LEU A 21 8.675 -3.021 -5.680 1.00 0.00 O ATOM 281 CB LEU A 21 7.834 -0.384 -3.948 1.00 0.00 C ATOM 282 CG LEU A 21 7.226 1.001 -3.715 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.889 2.049 -4.611 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.707 0.970 -3.895 1.00 0.00 C ATOM 0 H LEU A 21 6.484 -1.405 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 21 8.975 0.180 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.086 -1.135 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.666 -0.515 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 21 7.422 1.291 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.438 3.024 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.955 2.094 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.746 1.776 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.300 1.967 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.467 0.649 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.270 0.272 -3.181 1.00 0.00 H new ATOM 296 N HIS A 22 10.499 -1.730 -5.330 1.00 0.00 N ATOM 297 CA HIS A 22 11.436 -2.838 -5.409 1.00 0.00 C ATOM 298 C HIS A 22 11.834 -3.275 -3.998 1.00 0.00 C ATOM 299 O HIS A 22 12.655 -2.626 -3.352 1.00 0.00 O ATOM 300 CB HIS A 22 12.640 -2.470 -6.278 1.00 0.00 C ATOM 301 CG HIS A 22 12.334 -2.404 -7.755 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.333 -1.218 -8.468 1.00 0.00 N ATOM 303 CD2 HIS A 22 12.019 -3.388 -8.645 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.030 -1.487 -9.729 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.835 -2.833 -9.837 1.00 0.00 N ATOM 0 H HIS A 22 10.928 -0.820 -5.159 1.00 0.00 H new ATOM 0 HA HIS A 22 10.958 -3.689 -5.894 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.027 -1.504 -5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.431 -3.202 -6.114 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.934 -4.441 -8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.951 -0.768 -10.531 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.588 -3.331 -10.692 1.00 0.00 H new ATOM 313 N LYS A 23 11.234 -4.372 -3.561 1.00 0.00 N ATOM 314 CA LYS A 23 11.516 -4.904 -2.238 1.00 0.00 C ATOM 315 C LYS A 23 13.029 -4.928 -2.015 1.00 0.00 C ATOM 316 O LYS A 23 13.746 -5.680 -2.675 1.00 0.00 O ATOM 317 CB LYS A 23 10.845 -6.266 -2.054 1.00 0.00 C ATOM 318 CG LYS A 23 9.491 -6.121 -1.356 1.00 0.00 C ATOM 319 CD LYS A 23 9.248 -7.280 -0.386 1.00 0.00 C ATOM 320 CE LYS A 23 8.740 -8.518 -1.128 1.00 0.00 C ATOM 321 NZ LYS A 23 8.728 -9.692 -0.227 1.00 0.00 N ATOM 0 H LYS A 23 10.553 -4.908 -4.100 1.00 0.00 H new ATOM 0 HA LYS A 23 11.090 -4.259 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.708 -6.742 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.492 -6.918 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.456 -5.176 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.695 -6.092 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.173 -7.520 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.521 -6.981 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.736 -8.334 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.376 -8.720 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.381 -10.524 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.692 -9.876 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.102 -9.502 0.582 1.00 0.00 H new ATOM 335 N GLY A 24 13.471 -4.096 -1.084 1.00 0.00 N ATOM 336 CA GLY A 24 14.887 -4.013 -0.765 1.00 0.00 C ATOM 337 C GLY A 24 15.302 -5.136 0.187 1.00 0.00 C ATOM 338 O GLY A 24 16.293 -5.824 -0.053 1.00 0.00 O ATOM 0 H GLY A 24 12.874 -3.473 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.474 -4.073 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.105 -3.047 -0.310 1.00 0.00 H new ATOM 342 N SER A 25 14.523 -5.287 1.248 1.00 0.00 N ATOM 343 CA SER A 25 14.797 -6.315 2.238 1.00 0.00 C ATOM 344 C SER A 25 13.645 -6.395 3.242 1.00 0.00 C ATOM 345 O SER A 25 12.982 -7.426 3.350 1.00 0.00 O ATOM 346 CB SER A 25 16.115 -6.042 2.964 1.00 0.00 C ATOM 347 OG SER A 25 17.146 -6.936 2.553 1.00 0.00 O ATOM 0 H SER A 25 13.702 -4.715 1.444 1.00 0.00 H new ATOM 0 HA SER A 25 14.888 -7.271 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.428 -5.015 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.962 -6.134 4.039 1.00 0.00 H new ATOM 0 HG SER A 25 17.251 -6.889 1.580 1.00 0.00 H new ATOM 353 N THR A 26 13.442 -5.295 3.950 1.00 0.00 N ATOM 354 CA THR A 26 12.381 -5.228 4.942 1.00 0.00 C ATOM 355 C THR A 26 11.015 -5.384 4.272 1.00 0.00 C ATOM 356 O THR A 26 10.231 -6.254 4.648 1.00 0.00 O ATOM 357 CB THR A 26 12.534 -3.914 5.710 1.00 0.00 C ATOM 358 OG1 THR A 26 12.476 -2.911 4.699 1.00 0.00 O ATOM 359 CG2 THR A 26 13.929 -3.750 6.318 1.00 0.00 C ATOM 0 H THR A 26 13.994 -4.442 3.857 1.00 0.00 H new ATOM 0 HA THR A 26 12.454 -6.049 5.656 1.00 0.00 H new ATOM 0 HB THR A 26 11.785 -3.867 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.566 -2.026 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.984 -2.801 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.122 -4.568 7.012 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.676 -3.763 5.524 1.00 0.00 H new ATOM 367 N GLY A 27 10.771 -4.528 3.291 1.00 0.00 N ATOM 368 CA GLY A 27 9.512 -4.560 2.565 1.00 0.00 C ATOM 369 C GLY A 27 9.543 -3.604 1.371 1.00 0.00 C ATOM 370 O GLY A 27 10.551 -3.513 0.670 1.00 0.00 O ATOM 0 H GLY A 27 11.424 -3.808 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.314 -5.574 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.696 -4.286 3.233 1.00 0.00 H new ATOM 374 N LEU A 28 8.428 -2.916 1.175 1.00 0.00 N ATOM 375 CA LEU A 28 8.315 -1.971 0.077 1.00 0.00 C ATOM 376 C LEU A 28 8.738 -0.582 0.561 1.00 0.00 C ATOM 377 O LEU A 28 8.899 0.336 -0.242 1.00 0.00 O ATOM 378 CB LEU A 28 6.908 -2.011 -0.522 1.00 0.00 C ATOM 379 CG LEU A 28 6.633 -3.146 -1.511 1.00 0.00 C ATOM 380 CD1 LEU A 28 7.787 -3.300 -2.503 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.330 -4.453 -0.776 1.00 0.00 C ATOM 0 H LEU A 28 7.595 -2.994 1.758 1.00 0.00 H new ATOM 0 HA LEU A 28 8.989 -2.246 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.189 -2.084 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.722 -1.063 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 28 5.745 -2.889 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.566 -4.113 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.913 -2.373 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.706 -3.524 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.138 -5.243 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.184 -4.729 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.452 -4.320 -0.144 1.00 0.00 H new ATOM 393 N GLY A 29 8.905 -0.472 1.870 1.00 0.00 N ATOM 394 CA GLY A 29 9.305 0.789 2.470 1.00 0.00 C ATOM 395 C GLY A 29 8.086 1.658 2.785 1.00 0.00 C ATOM 396 O GLY A 29 8.152 2.883 2.695 1.00 0.00 O ATOM 0 H GLY A 29 8.771 -1.236 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.866 0.599 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.971 1.323 1.792 1.00 0.00 H new ATOM 400 N PHE A 30 7.001 0.990 3.149 1.00 0.00 N ATOM 401 CA PHE A 30 5.769 1.686 3.478 1.00 0.00 C ATOM 402 C PHE A 30 4.822 0.781 4.267 1.00 0.00 C ATOM 403 O PHE A 30 4.764 -0.424 4.027 1.00 0.00 O ATOM 404 CB PHE A 30 5.104 2.069 2.154 1.00 0.00 C ATOM 405 CG PHE A 30 4.456 0.893 1.420 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.375 0.268 1.959 1.00 0.00 C ATOM 407 CD2 PHE A 30 4.962 0.472 0.230 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.773 -0.823 1.278 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.361 -0.619 -0.451 1.00 0.00 C ATOM 410 CZ PHE A 30 3.279 -1.244 0.088 1.00 0.00 C ATOM 0 H PHE A 30 6.950 -0.026 3.223 1.00 0.00 H new ATOM 0 HA PHE A 30 5.988 2.560 4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.345 2.827 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.850 2.524 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.974 0.601 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.821 0.968 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.914 -1.318 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.762 -0.953 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.822 -2.075 -0.429 1.00 0.00 H new ATOM 420 N ASN A 31 4.102 1.396 5.195 1.00 0.00 N ATOM 421 CA ASN A 31 3.160 0.660 6.021 1.00 0.00 C ATOM 422 C ASN A 31 1.764 0.754 5.403 1.00 0.00 C ATOM 423 O ASN A 31 1.570 1.440 4.400 1.00 0.00 O ATOM 424 CB ASN A 31 3.093 1.246 7.433 1.00 0.00 C ATOM 425 CG ASN A 31 3.181 0.142 8.489 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.364 -1.026 8.190 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.041 0.577 9.738 1.00 0.00 N ATOM 0 H ASN A 31 4.152 2.395 5.393 1.00 0.00 H new ATOM 0 HA ASN A 31 3.496 -0.376 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.908 1.956 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.162 1.800 7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.085 -0.082 10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.890 1.570 9.918 1.00 0.00 H new ATOM 434 N ILE A 32 0.827 0.055 6.027 1.00 0.00 N ATOM 435 CA ILE A 32 -0.545 0.051 5.550 1.00 0.00 C ATOM 436 C ILE A 32 -1.496 -0.020 6.747 1.00 0.00 C ATOM 437 O ILE A 32 -1.145 -0.567 7.791 1.00 0.00 O ATOM 438 CB ILE A 32 -0.755 -1.071 4.531 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.354 -2.426 5.117 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.018 -0.771 3.225 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.232 -3.547 4.558 1.00 0.00 C ATOM 0 H ILE A 32 0.991 -0.512 6.859 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.767 0.977 5.020 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.818 -1.124 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.692 -2.630 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.443 -2.397 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.184 -1.584 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.393 0.160 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.049 -0.675 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.926 -4.499 4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.275 -3.353 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.122 -3.589 3.474 1.00 0.00 H new ATOM 453 N VAL A 33 -2.680 0.542 6.555 1.00 0.00 N ATOM 454 CA VAL A 33 -3.684 0.550 7.605 1.00 0.00 C ATOM 455 C VAL A 33 -5.037 0.144 7.016 1.00 0.00 C ATOM 456 O VAL A 33 -5.152 -0.077 5.811 1.00 0.00 O ATOM 457 CB VAL A 33 -3.716 1.918 8.289 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.299 2.421 8.575 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.499 2.931 7.451 1.00 0.00 C ATOM 0 H VAL A 33 -2.967 0.995 5.687 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.434 -0.178 8.377 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.230 1.804 9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.350 3.395 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.787 1.715 9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.749 2.512 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.507 3.895 7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.026 3.039 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.523 2.581 7.321 1.00 0.00 H new ATOM 469 N GLY A 34 -6.026 0.059 7.892 1.00 0.00 N ATOM 470 CA GLY A 34 -7.366 -0.316 7.474 1.00 0.00 C ATOM 471 C GLY A 34 -7.681 -1.760 7.871 1.00 0.00 C ATOM 472 O GLY A 34 -7.043 -2.315 8.764 1.00 0.00 O ATOM 0 H GLY A 34 -5.927 0.243 8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.094 0.357 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.458 -0.204 6.394 1.00 0.00 H new ATOM 476 N GLY A 35 -8.665 -2.326 7.188 1.00 0.00 N ATOM 477 CA GLY A 35 -9.072 -3.695 7.458 1.00 0.00 C ATOM 478 C GLY A 35 -10.263 -3.733 8.418 1.00 0.00 C ATOM 479 O GLY A 35 -10.380 -4.648 9.232 1.00 0.00 O ATOM 0 H GLY A 35 -9.192 -1.862 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.337 -4.190 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.237 -4.249 7.887 1.00 0.00 H new ATOM 483 N GLU A 36 -11.117 -2.728 8.290 1.00 0.00 N ATOM 484 CA GLU A 36 -12.295 -2.635 9.136 1.00 0.00 C ATOM 485 C GLU A 36 -13.553 -2.485 8.279 1.00 0.00 C ATOM 486 O GLU A 36 -13.684 -1.522 7.525 1.00 0.00 O ATOM 487 CB GLU A 36 -12.167 -1.479 10.130 1.00 0.00 C ATOM 488 CG GLU A 36 -10.983 -1.697 11.075 1.00 0.00 C ATOM 489 CD GLU A 36 -11.388 -1.441 12.528 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.268 -0.272 12.953 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.808 -2.421 13.182 1.00 0.00 O ATOM 0 H GLU A 36 -11.017 -1.971 7.613 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.379 -3.557 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.037 -0.542 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.087 -1.388 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.613 -2.717 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.165 -1.031 10.799 1.00 0.00 H new ATOM 498 N ASP A 37 -14.448 -3.451 8.423 1.00 0.00 N ATOM 499 CA ASP A 37 -15.692 -3.438 7.672 1.00 0.00 C ATOM 500 C ASP A 37 -15.401 -3.057 6.219 1.00 0.00 C ATOM 501 O ASP A 37 -16.251 -2.480 5.543 1.00 0.00 O ATOM 502 CB ASP A 37 -16.670 -2.410 8.243 1.00 0.00 C ATOM 503 CG ASP A 37 -17.457 -2.878 9.469 1.00 0.00 C ATOM 504 OD1 ASP A 37 -17.806 -4.078 9.495 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.692 -2.025 10.352 1.00 0.00 O ATOM 0 H ASP A 37 -14.336 -4.248 9.049 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.135 -4.432 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.114 -1.510 8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.376 -2.130 7.462 1.00 0.00 H new ATOM 510 N GLY A 38 -14.196 -3.395 5.782 1.00 0.00 N ATOM 511 CA GLY A 38 -13.782 -3.095 4.422 1.00 0.00 C ATOM 512 C GLY A 38 -13.961 -1.608 4.109 1.00 0.00 C ATOM 513 O GLY A 38 -14.706 -1.246 3.200 1.00 0.00 O ATOM 0 H GLY A 38 -13.494 -3.874 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.738 -3.376 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.366 -3.691 3.721 1.00 0.00 H new ATOM 517 N GLU A 39 -13.265 -0.786 4.881 1.00 0.00 N ATOM 518 CA GLU A 39 -13.338 0.654 4.698 1.00 0.00 C ATOM 519 C GLU A 39 -12.344 1.103 3.625 1.00 0.00 C ATOM 520 O GLU A 39 -12.594 2.072 2.910 1.00 0.00 O ATOM 521 CB GLU A 39 -13.089 1.387 6.018 1.00 0.00 C ATOM 522 CG GLU A 39 -11.612 1.327 6.409 1.00 0.00 C ATOM 523 CD GLU A 39 -11.452 1.105 7.914 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.420 1.417 8.640 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.364 0.627 8.305 1.00 0.00 O ATOM 0 H GLU A 39 -12.648 -1.090 5.634 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.344 0.908 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.402 2.427 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.696 0.941 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.120 0.521 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.118 2.254 6.120 1.00 0.00 H new ATOM 532 N GLY A 40 -11.238 0.378 3.547 1.00 0.00 N ATOM 533 CA GLY A 40 -10.206 0.689 2.574 1.00 0.00 C ATOM 534 C GLY A 40 -8.829 0.756 3.237 1.00 0.00 C ATOM 535 O GLY A 40 -8.701 1.233 4.364 1.00 0.00 O ATOM 0 H GLY A 40 -11.034 -0.425 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.200 -0.069 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.429 1.642 2.094 1.00 0.00 H new ATOM 539 N ILE A 41 -7.833 0.272 2.510 1.00 0.00 N ATOM 540 CA ILE A 41 -6.470 0.271 3.014 1.00 0.00 C ATOM 541 C ILE A 41 -5.815 1.618 2.703 1.00 0.00 C ATOM 542 O ILE A 41 -6.204 2.298 1.755 1.00 0.00 O ATOM 543 CB ILE A 41 -5.697 -0.930 2.465 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.537 -2.206 2.544 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.350 -1.086 3.174 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.478 -2.815 3.947 1.00 0.00 C ATOM 0 H ILE A 41 -7.943 -0.122 1.576 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.465 0.156 4.098 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.487 -0.748 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.572 -1.981 2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.175 -2.930 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.821 -1.947 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.753 -0.187 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.516 -1.235 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.083 -3.721 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.445 -3.061 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.863 -2.098 4.672 1.00 0.00 H new ATOM 558 N PHE A 42 -4.831 1.964 3.521 1.00 0.00 N ATOM 559 CA PHE A 42 -4.118 3.218 3.345 1.00 0.00 C ATOM 560 C PHE A 42 -2.719 3.144 3.961 1.00 0.00 C ATOM 561 O PHE A 42 -2.493 2.393 4.908 1.00 0.00 O ATOM 562 CB PHE A 42 -4.925 4.297 4.069 1.00 0.00 C ATOM 563 CG PHE A 42 -6.321 4.527 3.485 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.333 3.670 3.784 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.548 5.590 2.667 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.628 3.884 3.242 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.843 5.804 2.125 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.856 4.946 2.424 1.00 0.00 C ATOM 0 H PHE A 42 -4.511 1.398 4.307 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.007 3.437 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.023 4.020 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.370 5.234 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.152 2.826 4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.744 6.271 2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.432 3.203 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.024 6.648 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.841 5.109 2.012 1.00 0.00 H new ATOM 578 N VAL A 43 -1.817 3.935 3.398 1.00 0.00 N ATOM 579 CA VAL A 43 -0.447 3.969 3.880 1.00 0.00 C ATOM 580 C VAL A 43 -0.409 4.653 5.248 1.00 0.00 C ATOM 581 O VAL A 43 -1.061 5.676 5.453 1.00 0.00 O ATOM 582 CB VAL A 43 0.454 4.647 2.847 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.853 4.893 3.417 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.524 3.827 1.557 1.00 0.00 C ATOM 0 H VAL A 43 -2.008 4.557 2.613 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.063 2.957 4.012 1.00 0.00 H new ATOM 0 HB VAL A 43 0.016 5.615 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.474 5.376 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.781 5.537 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.302 3.942 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.171 4.332 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.927 2.838 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.476 3.726 1.135 1.00 0.00 H new ATOM 594 N SER A 44 0.361 4.061 6.149 1.00 0.00 N ATOM 595 CA SER A 44 0.493 4.600 7.491 1.00 0.00 C ATOM 596 C SER A 44 1.814 5.361 7.623 1.00 0.00 C ATOM 597 O SER A 44 1.885 6.374 8.316 1.00 0.00 O ATOM 598 CB SER A 44 0.412 3.490 8.542 1.00 0.00 C ATOM 599 OG SER A 44 1.677 3.234 9.145 1.00 0.00 O ATOM 0 H SER A 44 0.900 3.213 5.975 1.00 0.00 H new ATOM 0 HA SER A 44 -0.334 5.288 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.307 3.771 9.312 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.040 2.577 8.077 1.00 0.00 H new ATOM 0 HG SER A 44 1.556 3.079 10.105 1.00 0.00 H new ATOM 605 N PHE A 45 2.828 4.842 6.946 1.00 0.00 N ATOM 606 CA PHE A 45 4.143 5.459 6.978 1.00 0.00 C ATOM 607 C PHE A 45 5.001 4.984 5.804 1.00 0.00 C ATOM 608 O PHE A 45 4.679 3.986 5.159 1.00 0.00 O ATOM 609 CB PHE A 45 4.807 5.029 8.287 1.00 0.00 C ATOM 610 CG PHE A 45 6.314 5.287 8.334 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.785 6.504 8.718 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.184 4.298 7.992 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.184 6.743 8.762 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.583 4.537 8.036 1.00 0.00 C ATOM 615 CZ PHE A 45 9.053 5.754 8.420 1.00 0.00 C ATOM 0 H PHE A 45 2.765 4.001 6.372 1.00 0.00 H new ATOM 0 HA PHE A 45 4.047 6.542 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.332 5.557 9.114 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.626 3.965 8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.095 7.289 8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.810 3.332 7.687 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.558 7.709 9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.274 3.752 7.765 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.117 5.935 8.453 1.00 0.00 H new ATOM 625 N ILE A 46 6.076 5.719 5.562 1.00 0.00 N ATOM 626 CA ILE A 46 6.982 5.385 4.477 1.00 0.00 C ATOM 627 C ILE A 46 8.424 5.442 4.986 1.00 0.00 C ATOM 628 O ILE A 46 8.872 6.477 5.476 1.00 0.00 O ATOM 629 CB ILE A 46 6.722 6.283 3.265 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.283 6.132 2.770 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.742 6.016 2.156 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.239 5.395 1.430 1.00 0.00 C ATOM 0 H ILE A 46 6.340 6.545 6.099 1.00 0.00 H new ATOM 0 HA ILE A 46 6.805 4.366 4.133 1.00 0.00 H new ATOM 0 HB ILE A 46 6.848 7.320 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.696 5.586 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.826 7.116 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.535 6.667 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.746 6.216 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.672 4.975 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.204 5.301 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.807 5.956 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.674 4.403 1.546 1.00 0.00 H new ATOM 644 N LEU A 47 9.110 4.317 4.853 1.00 0.00 N ATOM 645 CA LEU A 47 10.491 4.225 5.294 1.00 0.00 C ATOM 646 C LEU A 47 11.329 5.269 4.552 1.00 0.00 C ATOM 647 O LEU A 47 10.992 5.662 3.436 1.00 0.00 O ATOM 648 CB LEU A 47 11.011 2.795 5.136 1.00 0.00 C ATOM 649 CG LEU A 47 12.449 2.549 5.597 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.481 1.998 7.024 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.192 1.641 4.615 1.00 0.00 C ATOM 0 H LEU A 47 8.735 3.460 4.446 1.00 0.00 H new ATOM 0 HA LEU A 47 10.566 4.451 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.353 2.127 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.935 2.516 4.085 1.00 0.00 H new ATOM 0 HG LEU A 47 12.972 3.505 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.515 1.832 7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.015 2.714 7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.936 1.055 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.212 1.482 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.678 0.682 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.216 2.111 3.632 1.00 0.00 H new ATOM 663 N ALA A 48 12.404 5.689 5.202 1.00 0.00 N ATOM 664 CA ALA A 48 13.293 6.680 4.618 1.00 0.00 C ATOM 665 C ALA A 48 14.457 5.969 3.926 1.00 0.00 C ATOM 666 O ALA A 48 15.308 5.375 4.587 1.00 0.00 O ATOM 667 CB ALA A 48 13.763 7.647 5.706 1.00 0.00 C ATOM 0 H ALA A 48 12.680 5.361 6.128 1.00 0.00 H new ATOM 0 HA ALA A 48 12.771 7.268 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.430 8.390 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.900 8.147 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.295 7.093 6.480 1.00 0.00 H new ATOM 673 N GLY A 49 14.459 6.054 2.604 1.00 0.00 N ATOM 674 CA GLY A 49 15.505 5.427 1.815 1.00 0.00 C ATOM 675 C GLY A 49 14.969 4.205 1.066 1.00 0.00 C ATOM 676 O GLY A 49 15.619 3.697 0.154 1.00 0.00 O ATOM 0 H GLY A 49 13.752 6.548 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.909 6.146 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.326 5.128 2.466 1.00 0.00 H new ATOM 680 N GLY A 50 13.788 3.769 1.479 1.00 0.00 N ATOM 681 CA GLY A 50 13.157 2.616 0.858 1.00 0.00 C ATOM 682 C GLY A 50 12.736 2.929 -0.579 1.00 0.00 C ATOM 683 O GLY A 50 12.976 4.029 -1.074 1.00 0.00 O ATOM 0 H GLY A 50 13.251 4.193 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.847 1.773 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.285 2.317 1.439 1.00 0.00 H new ATOM 687 N PRO A 51 12.100 1.916 -1.225 1.00 0.00 N ATOM 688 CA PRO A 51 11.643 2.072 -2.596 1.00 0.00 C ATOM 689 C PRO A 51 10.390 2.947 -2.660 1.00 0.00 C ATOM 690 O PRO A 51 10.191 3.683 -3.625 1.00 0.00 O ATOM 691 CB PRO A 51 11.406 0.657 -3.095 1.00 0.00 C ATOM 692 CG PRO A 51 11.290 -0.210 -1.852 1.00 0.00 C ATOM 693 CD PRO A 51 11.799 0.600 -0.670 1.00 0.00 C ATOM 0 HA PRO A 51 12.370 2.585 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.498 0.602 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.228 0.324 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.255 -0.511 -1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.873 -1.124 -1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.049 0.665 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.686 0.144 -0.230 1.00 0.00 H new ATOM 701 N ALA A 52 9.577 2.838 -1.619 1.00 0.00 N ATOM 702 CA ALA A 52 8.348 3.609 -1.545 1.00 0.00 C ATOM 703 C ALA A 52 8.691 5.090 -1.365 1.00 0.00 C ATOM 704 O ALA A 52 7.902 5.962 -1.726 1.00 0.00 O ATOM 705 CB ALA A 52 7.474 3.071 -0.411 1.00 0.00 C ATOM 0 H ALA A 52 9.746 2.227 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 52 7.778 3.512 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.552 3.650 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.235 2.025 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.012 3.154 0.534 1.00 0.00 H new ATOM 711 N ASP A 53 9.868 5.328 -0.806 1.00 0.00 N ATOM 712 CA ASP A 53 10.325 6.687 -0.573 1.00 0.00 C ATOM 713 C ASP A 53 11.176 7.145 -1.759 1.00 0.00 C ATOM 714 O ASP A 53 10.872 8.154 -2.394 1.00 0.00 O ATOM 715 CB ASP A 53 11.187 6.770 0.688 1.00 0.00 C ATOM 716 CG ASP A 53 12.106 7.992 0.763 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.563 9.098 0.972 1.00 0.00 O ATOM 718 OD2 ASP A 53 13.330 7.791 0.611 1.00 0.00 O ATOM 0 H ASP A 53 10.519 4.602 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 53 9.447 7.322 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.531 6.773 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.798 5.870 0.752 1.00 0.00 H new ATOM 723 N LEU A 54 12.226 6.381 -2.023 1.00 0.00 N ATOM 724 CA LEU A 54 13.123 6.695 -3.122 1.00 0.00 C ATOM 725 C LEU A 54 12.302 6.970 -4.383 1.00 0.00 C ATOM 726 O LEU A 54 12.430 8.031 -4.992 1.00 0.00 O ATOM 727 CB LEU A 54 14.165 5.588 -3.296 1.00 0.00 C ATOM 728 CG LEU A 54 15.256 5.519 -2.225 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.409 4.621 -2.675 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.737 6.920 -1.842 1.00 0.00 C ATOM 0 H LEU A 54 12.476 5.545 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 54 13.688 7.602 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.647 4.629 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.644 5.717 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 54 14.828 5.069 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.171 4.589 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.035 3.614 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.844 5.019 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.512 6.843 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.142 7.419 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.900 7.498 -1.451 1.00 0.00 H new ATOM 742 N SER A 55 11.476 5.997 -4.737 1.00 0.00 N ATOM 743 CA SER A 55 10.634 6.121 -5.914 1.00 0.00 C ATOM 744 C SER A 55 10.074 7.541 -6.010 1.00 0.00 C ATOM 745 O SER A 55 10.073 8.141 -7.084 1.00 0.00 O ATOM 746 CB SER A 55 9.493 5.102 -5.885 1.00 0.00 C ATOM 747 OG SER A 55 9.969 3.764 -6.006 1.00 0.00 O ATOM 0 H SER A 55 11.372 5.119 -4.229 1.00 0.00 H new ATOM 0 HA SER A 55 11.245 5.918 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.937 5.206 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.797 5.314 -6.697 1.00 0.00 H new ATOM 0 HG SER A 55 10.476 3.523 -5.203 1.00 0.00 H new ATOM 753 N GLY A 56 9.613 8.039 -4.872 1.00 0.00 N ATOM 754 CA GLY A 56 9.052 9.378 -4.814 1.00 0.00 C ATOM 755 C GLY A 56 7.561 9.364 -5.157 1.00 0.00 C ATOM 756 O GLY A 56 6.902 10.402 -5.124 1.00 0.00 O ATOM 0 H GLY A 56 9.617 7.539 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.195 9.793 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.582 10.029 -5.509 1.00 0.00 H new ATOM 760 N GLU A 57 7.072 8.175 -5.479 1.00 0.00 N ATOM 761 CA GLU A 57 5.671 8.011 -5.828 1.00 0.00 C ATOM 762 C GLU A 57 4.837 7.753 -4.570 1.00 0.00 C ATOM 763 O GLU A 57 3.952 8.538 -4.236 1.00 0.00 O ATOM 764 CB GLU A 57 5.487 6.885 -6.847 1.00 0.00 C ATOM 765 CG GLU A 57 6.405 7.085 -8.055 1.00 0.00 C ATOM 766 CD GLU A 57 6.368 8.536 -8.538 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.353 8.897 -9.172 1.00 0.00 O ATOM 768 OE2 GLU A 57 7.355 9.252 -8.263 1.00 0.00 O ATOM 0 H GLU A 57 7.621 7.316 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 57 5.322 8.935 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.702 5.925 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.448 6.853 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.426 6.813 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.098 6.421 -8.863 1.00 0.00 H new ATOM 775 N LEU A 58 5.151 6.649 -3.908 1.00 0.00 N ATOM 776 CA LEU A 58 4.442 6.278 -2.695 1.00 0.00 C ATOM 777 C LEU A 58 4.863 7.211 -1.557 1.00 0.00 C ATOM 778 O LEU A 58 6.026 7.601 -1.468 1.00 0.00 O ATOM 779 CB LEU A 58 4.653 4.795 -2.384 1.00 0.00 C ATOM 780 CG LEU A 58 3.395 3.997 -2.034 1.00 0.00 C ATOM 781 CD1 LEU A 58 3.748 2.561 -1.642 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.582 4.704 -0.947 1.00 0.00 C ATOM 0 H LEU A 58 5.886 6.000 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 58 3.367 6.403 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.128 4.327 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.353 4.715 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 58 2.767 3.943 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.836 2.016 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.253 2.070 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.407 2.572 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.693 4.116 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.190 4.809 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.283 5.691 -1.300 1.00 0.00 H new ATOM 794 N ARG A 59 3.894 7.542 -0.717 1.00 0.00 N ATOM 795 CA ARG A 59 4.149 8.422 0.411 1.00 0.00 C ATOM 796 C ARG A 59 2.950 8.428 1.361 1.00 0.00 C ATOM 797 O ARG A 59 1.869 7.961 1.006 1.00 0.00 O ATOM 798 CB ARG A 59 4.427 9.851 -0.058 1.00 0.00 C ATOM 799 CG ARG A 59 3.140 10.538 -0.518 1.00 0.00 C ATOM 800 CD ARG A 59 2.825 11.755 0.354 1.00 0.00 C ATOM 801 NE ARG A 59 2.901 12.991 -0.456 1.00 0.00 N ATOM 802 CZ ARG A 59 4.042 13.631 -0.745 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.210 13.156 -0.292 1.00 0.00 N ATOM 804 NH2 ARG A 59 4.015 14.747 -1.487 1.00 0.00 N ATOM 0 H ARG A 59 2.930 7.217 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 59 5.029 8.046 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.878 10.422 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.147 9.835 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.241 10.848 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.311 9.831 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.830 11.655 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.530 11.810 1.184 1.00 0.00 H new ATOM 0 HE ARG A 59 2.030 13.380 -0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.231 12.307 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.079 13.643 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.126 15.109 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.884 15.234 -1.707 1.00 0.00 H new ATOM 818 N ARG A 60 3.181 8.963 2.551 1.00 0.00 N ATOM 819 CA ARG A 60 2.134 9.036 3.555 1.00 0.00 C ATOM 820 C ARG A 60 0.940 9.831 3.020 1.00 0.00 C ATOM 821 O ARG A 60 1.059 11.022 2.739 1.00 0.00 O ATOM 822 CB ARG A 60 2.644 9.698 4.837 1.00 0.00 C ATOM 823 CG ARG A 60 1.508 9.897 5.841 1.00 0.00 C ATOM 824 CD ARG A 60 2.015 10.573 7.117 1.00 0.00 C ATOM 825 NE ARG A 60 1.041 11.589 7.573 1.00 0.00 N ATOM 826 CZ ARG A 60 0.703 12.677 6.867 1.00 0.00 C ATOM 827 NH1 ARG A 60 1.259 12.896 5.668 1.00 0.00 N ATOM 828 NH2 ARG A 60 -0.190 13.545 7.360 1.00 0.00 N ATOM 0 H ARG A 60 4.079 9.350 2.842 1.00 0.00 H new ATOM 0 HA ARG A 60 1.824 8.017 3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.424 9.081 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.096 10.661 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.723 10.504 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.063 8.933 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.167 9.827 7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.981 11.042 6.931 1.00 0.00 H new ATOM 0 HE ARG A 60 0.599 11.453 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.939 12.235 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.002 13.724 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.613 13.378 8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.447 14.373 6.822 1.00 0.00 H new ATOM 842 N GLY A 61 -0.182 9.139 2.895 1.00 0.00 N ATOM 843 CA GLY A 61 -1.396 9.764 2.399 1.00 0.00 C ATOM 844 C GLY A 61 -1.877 9.086 1.114 1.00 0.00 C ATOM 845 O GLY A 61 -2.443 9.738 0.238 1.00 0.00 O ATOM 0 H GLY A 61 -0.276 8.151 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.176 9.706 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.213 10.822 2.210 1.00 0.00 H new ATOM 849 N ASP A 62 -1.634 7.786 1.043 1.00 0.00 N ATOM 850 CA ASP A 62 -2.035 7.012 -0.120 1.00 0.00 C ATOM 851 C ASP A 62 -3.033 5.935 0.309 1.00 0.00 C ATOM 852 O ASP A 62 -2.994 5.465 1.445 1.00 0.00 O ATOM 853 CB ASP A 62 -0.832 6.315 -0.759 1.00 0.00 C ATOM 854 CG ASP A 62 -0.363 6.921 -2.084 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.636 8.124 -2.286 1.00 0.00 O ATOM 856 OD2 ASP A 62 0.258 6.167 -2.864 1.00 0.00 O ATOM 0 H ASP A 62 -1.164 7.249 1.772 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.481 7.695 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.002 6.336 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.084 5.267 -0.925 1.00 0.00 H new ATOM 861 N ARG A 63 -3.903 5.575 -0.622 1.00 0.00 N ATOM 862 CA ARG A 63 -4.910 4.561 -0.355 1.00 0.00 C ATOM 863 C ARG A 63 -4.658 3.322 -1.217 1.00 0.00 C ATOM 864 O ARG A 63 -5.014 3.298 -2.394 1.00 0.00 O ATOM 865 CB ARG A 63 -6.316 5.093 -0.637 1.00 0.00 C ATOM 866 CG ARG A 63 -7.375 4.033 -0.330 1.00 0.00 C ATOM 867 CD ARG A 63 -8.716 4.395 -0.973 1.00 0.00 C ATOM 868 NE ARG A 63 -9.779 3.500 -0.464 1.00 0.00 N ATOM 869 CZ ARG A 63 -9.881 2.201 -0.776 1.00 0.00 C ATOM 870 NH1 ARG A 63 -8.985 1.637 -1.597 1.00 0.00 N ATOM 871 NH2 ARG A 63 -10.879 1.466 -0.267 1.00 0.00 N ATOM 0 H ARG A 63 -3.932 5.967 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.840 4.294 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.500 5.982 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.391 5.396 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.041 3.063 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.499 3.939 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.966 5.433 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.644 4.308 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.478 3.897 0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.225 2.197 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.063 0.648 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.561 1.895 0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.957 0.477 -0.505 1.00 0.00 H new ATOM 885 N ILE A 64 -4.046 2.324 -0.597 1.00 0.00 N ATOM 886 CA ILE A 64 -3.743 1.085 -1.293 1.00 0.00 C ATOM 887 C ILE A 64 -5.038 0.483 -1.842 1.00 0.00 C ATOM 888 O ILE A 64 -6.016 0.334 -1.112 1.00 0.00 O ATOM 889 CB ILE A 64 -2.962 0.136 -0.381 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.688 0.803 0.142 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.666 -1.187 -1.091 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.722 1.113 -1.002 1.00 0.00 C ATOM 0 H ILE A 64 -3.752 2.348 0.379 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.093 1.277 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.583 -0.095 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.944 1.724 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.202 0.149 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.110 -1.843 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.603 -1.666 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.073 -0.995 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.175 1.587 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.449 0.187 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.203 1.787 -1.712 1.00 0.00 H new ATOM 904 N LEU A 65 -5.002 0.154 -3.125 1.00 0.00 N ATOM 905 CA LEU A 65 -6.161 -0.428 -3.781 1.00 0.00 C ATOM 906 C LEU A 65 -5.872 -1.894 -4.110 1.00 0.00 C ATOM 907 O LEU A 65 -6.642 -2.780 -3.742 1.00 0.00 O ATOM 908 CB LEU A 65 -6.564 0.408 -4.998 1.00 0.00 C ATOM 909 CG LEU A 65 -7.260 1.737 -4.698 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.071 2.727 -5.849 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.738 1.519 -4.366 1.00 0.00 C ATOM 0 H LEU A 65 -4.189 0.279 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.023 -0.414 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.669 0.614 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.225 -0.192 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.793 2.176 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.575 3.663 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.007 2.915 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.495 2.309 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.209 2.479 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.236 1.048 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.823 0.875 -3.491 1.00 0.00 H new ATOM 923 N SER A 66 -4.760 -2.105 -4.799 1.00 0.00 N ATOM 924 CA SER A 66 -4.361 -3.448 -5.182 1.00 0.00 C ATOM 925 C SER A 66 -2.840 -3.587 -5.092 1.00 0.00 C ATOM 926 O SER A 66 -2.116 -2.595 -5.172 1.00 0.00 O ATOM 927 CB SER A 66 -4.842 -3.785 -6.594 1.00 0.00 C ATOM 928 OG SER A 66 -4.668 -2.692 -7.492 1.00 0.00 O ATOM 0 H SER A 66 -4.123 -1.368 -5.102 1.00 0.00 H new ATOM 0 HA SER A 66 -4.826 -4.152 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.295 -4.651 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.895 -4.063 -6.561 1.00 0.00 H new ATOM 0 HG SER A 66 -4.985 -2.947 -8.383 1.00 0.00 H new ATOM 934 N VAL A 67 -2.399 -4.826 -4.928 1.00 0.00 N ATOM 935 CA VAL A 67 -0.977 -5.107 -4.827 1.00 0.00 C ATOM 936 C VAL A 67 -0.603 -6.192 -5.839 1.00 0.00 C ATOM 937 O VAL A 67 -1.069 -7.326 -5.740 1.00 0.00 O ATOM 938 CB VAL A 67 -0.619 -5.483 -3.388 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.623 -6.376 -3.348 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.425 -4.234 -2.527 1.00 0.00 C ATOM 0 H VAL A 67 -3.002 -5.646 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.394 -4.219 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.452 -6.049 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.856 -6.629 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.432 -7.290 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.466 -5.846 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.171 -4.530 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.382 -3.629 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.347 -3.652 -2.517 1.00 0.00 H new ATOM 950 N ASN A 68 0.235 -5.806 -6.790 1.00 0.00 N ATOM 951 CA ASN A 68 0.677 -6.731 -7.819 1.00 0.00 C ATOM 952 C ASN A 68 -0.527 -7.173 -8.653 1.00 0.00 C ATOM 953 O ASN A 68 -0.565 -8.299 -9.147 1.00 0.00 O ATOM 954 CB ASN A 68 1.309 -7.980 -7.202 1.00 0.00 C ATOM 955 CG ASN A 68 2.519 -8.443 -8.017 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.684 -8.104 -9.178 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.352 -9.233 -7.347 1.00 0.00 N ATOM 0 H ASN A 68 0.620 -4.865 -6.869 1.00 0.00 H new ATOM 0 HA ASN A 68 1.416 -6.220 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.616 -7.768 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.570 -8.780 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.190 -9.595 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.154 -9.477 -6.377 1.00 0.00 H new ATOM 964 N GLY A 69 -1.482 -6.264 -8.784 1.00 0.00 N ATOM 965 CA GLY A 69 -2.685 -6.546 -9.549 1.00 0.00 C ATOM 966 C GLY A 69 -3.624 -7.471 -8.773 1.00 0.00 C ATOM 967 O GLY A 69 -4.183 -8.410 -9.337 1.00 0.00 O ATOM 0 H GLY A 69 -1.447 -5.331 -8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.199 -5.613 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.416 -7.008 -10.499 1.00 0.00 H new ATOM 971 N VAL A 70 -3.768 -7.174 -7.490 1.00 0.00 N ATOM 972 CA VAL A 70 -4.630 -7.967 -6.630 1.00 0.00 C ATOM 973 C VAL A 70 -5.671 -7.056 -5.977 1.00 0.00 C ATOM 974 O VAL A 70 -5.319 -6.063 -5.341 1.00 0.00 O ATOM 975 CB VAL A 70 -3.787 -8.738 -5.612 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.678 -9.510 -4.635 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.802 -9.675 -6.313 1.00 0.00 C ATOM 0 H VAL A 70 -3.302 -6.395 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.171 -8.711 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.209 -8.014 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.054 -10.049 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.321 -8.812 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.294 -10.219 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.215 -10.211 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.352 -10.390 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.135 -9.092 -6.949 1.00 0.00 H new ATOM 987 N ASN A 71 -6.930 -7.425 -6.156 1.00 0.00 N ATOM 988 CA ASN A 71 -8.024 -6.653 -5.592 1.00 0.00 C ATOM 989 C ASN A 71 -7.987 -6.762 -4.066 1.00 0.00 C ATOM 990 O ASN A 71 -8.208 -7.838 -3.512 1.00 0.00 O ATOM 991 CB ASN A 71 -9.377 -7.183 -6.071 1.00 0.00 C ATOM 992 CG ASN A 71 -10.420 -6.064 -6.115 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.297 -5.094 -6.844 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.450 -6.253 -5.295 1.00 0.00 N ATOM 0 H ASN A 71 -7.217 -8.249 -6.684 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.907 -5.618 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.269 -7.623 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.717 -7.976 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.199 -5.563 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.491 -7.088 -4.711 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.704 -5.635 -3.430 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.635 -5.591 -1.980 1.00 0.00 C ATOM 1003 C LEU A 72 -8.466 -4.412 -1.469 1.00 0.00 C ATOM 1004 O LEU A 72 -8.347 -4.020 -0.309 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.178 -5.563 -1.514 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.314 -6.750 -1.943 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -3.826 -6.397 -1.879 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.644 -7.996 -1.119 1.00 0.00 C ATOM 0 H LEU A 72 -7.520 -4.745 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.066 -6.495 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.716 -4.649 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.166 -5.505 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.545 -6.982 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.234 -7.258 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.622 -5.558 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.561 -6.123 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.015 -8.825 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.460 -7.794 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.692 -8.259 -1.260 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.289 -3.879 -2.361 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.140 -2.753 -2.015 1.00 0.00 C ATOM 1022 C ARG A 73 -10.797 -2.983 -0.652 1.00 0.00 C ATOM 1023 O ARG A 73 -10.471 -2.303 0.320 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.229 -2.542 -3.069 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.793 -1.506 -4.107 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.804 -1.419 -5.252 1.00 0.00 C ATOM 1027 NE ARG A 73 -11.118 -1.618 -6.549 1.00 0.00 N ATOM 1028 CZ ARG A 73 -11.721 -1.516 -7.741 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.025 -1.215 -7.809 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -11.020 -1.713 -8.866 1.00 0.00 N ATOM 0 H ARG A 73 -9.384 -4.206 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.512 -1.863 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.449 -3.488 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.149 -2.213 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.691 -0.530 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.813 -1.772 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.579 -2.174 -5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.299 -0.448 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.124 -1.847 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.559 -1.063 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.484 -1.137 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.027 -1.941 -8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.479 -1.635 -9.773 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.709 -3.943 -0.625 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.414 -4.271 0.602 1.00 0.00 C ATOM 1046 C ASN A 74 -11.741 -5.473 1.267 1.00 0.00 C ATOM 1047 O ASN A 74 -12.416 -6.353 1.798 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.871 -4.643 0.318 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.574 -3.539 -0.474 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.606 -3.538 -1.694 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -15.135 -2.601 0.285 1.00 0.00 N ATOM 0 H ASN A 74 -11.976 -4.505 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.385 -3.396 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.909 -5.578 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.397 -4.813 1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.629 -1.821 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.071 -2.662 1.301 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.417 -5.471 1.217 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.644 -6.550 1.808 1.00 0.00 C ATOM 1060 C ALA A 75 -9.179 -6.134 3.205 1.00 0.00 C ATOM 1061 O ALA A 75 -8.929 -4.955 3.454 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.475 -6.906 0.886 1.00 0.00 C ATOM 0 H ALA A 75 -9.860 -4.739 0.776 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.257 -7.445 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.895 -7.715 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.860 -7.224 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.837 -6.032 0.754 1.00 0.00 H new ATOM 1068 N THR A 76 -9.078 -7.124 4.079 1.00 0.00 N ATOM 1069 CA THR A 76 -8.647 -6.875 5.445 1.00 0.00 C ATOM 1070 C THR A 76 -7.194 -6.398 5.467 1.00 0.00 C ATOM 1071 O THR A 76 -6.530 -6.368 4.432 1.00 0.00 O ATOM 1072 CB THR A 76 -8.881 -8.152 6.254 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.472 -9.198 5.378 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.366 -8.428 6.497 1.00 0.00 C ATOM 0 H THR A 76 -9.287 -8.100 3.869 1.00 0.00 H new ATOM 0 HA THR A 76 -9.226 -6.073 5.903 1.00 0.00 H new ATOM 0 HB THR A 76 -8.365 -8.074 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.589 -10.063 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.476 -9.345 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.805 -7.597 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.877 -8.539 5.540 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.741 -6.038 6.659 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.378 -5.565 6.830 1.00 0.00 C ATOM 1084 C HIS A 77 -4.397 -6.660 6.406 1.00 0.00 C ATOM 1085 O HIS A 77 -3.439 -6.393 5.683 1.00 0.00 O ATOM 1086 CB HIS A 77 -5.146 -5.084 8.264 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.830 -4.371 8.467 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.322 -4.078 9.721 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.925 -3.896 7.564 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.163 -3.454 9.567 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.919 -3.342 8.230 1.00 0.00 N ATOM 0 H HIS A 77 -7.294 -6.064 7.516 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.205 -4.702 6.186 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.958 -4.414 8.548 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.191 -5.941 8.936 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.764 -4.304 10.612 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.012 -3.960 6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.524 -3.097 10.361 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.671 -7.869 6.874 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.825 -9.005 6.552 1.00 0.00 C ATOM 1101 C GLU A 78 -3.823 -9.255 5.042 1.00 0.00 C ATOM 1102 O GLU A 78 -2.776 -9.191 4.400 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.272 -10.254 7.314 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.089 -11.190 7.573 1.00 0.00 C ATOM 1105 CD GLU A 78 -2.260 -11.391 6.303 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -2.679 -12.233 5.480 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -1.226 -10.699 6.185 1.00 0.00 O ATOM 0 H GLU A 78 -5.467 -8.086 7.474 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.806 -8.774 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.725 -9.964 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.037 -10.779 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.459 -10.776 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.454 -12.153 7.929 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.008 -9.534 4.519 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.156 -9.793 3.098 1.00 0.00 C ATOM 1116 C GLN A 79 -4.379 -8.756 2.285 1.00 0.00 C ATOM 1117 O GLN A 79 -3.975 -9.023 1.154 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.632 -9.811 2.694 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.366 -10.982 3.352 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.877 -10.869 3.143 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.383 -9.909 2.584 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.568 -11.901 3.620 1.00 0.00 N ATOM 0 H GLN A 79 -5.874 -9.586 5.055 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.742 -10.778 2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.104 -8.872 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.715 -9.888 1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.007 -11.922 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.143 -11.002 4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.082 -12.673 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.584 -11.921 3.528 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.192 -7.593 2.893 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.470 -6.515 2.240 1.00 0.00 C ATOM 1133 C ALA A 80 -1.967 -6.726 2.427 1.00 0.00 C ATOM 1134 O ALA A 80 -1.185 -6.504 1.504 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.944 -5.171 2.798 1.00 0.00 C ATOM 0 H ALA A 80 -4.528 -7.374 3.831 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.671 -6.513 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.402 -4.362 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.012 -5.057 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.756 -5.136 3.871 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.607 -7.153 3.629 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.211 -7.397 3.949 1.00 0.00 C ATOM 1143 C ALA A 81 0.246 -8.689 3.268 1.00 0.00 C ATOM 1144 O ALA A 81 1.297 -8.719 2.629 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.037 -7.447 5.469 1.00 0.00 C ATOM 0 H ALA A 81 -2.258 -7.336 4.393 1.00 0.00 H new ATOM 0 HA ALA A 81 0.415 -6.587 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.010 -7.630 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.348 -6.496 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.649 -8.250 5.879 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.565 -9.724 3.427 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.258 -11.014 2.835 1.00 0.00 C ATOM 1153 C ALA A 82 -0.005 -10.836 1.336 1.00 0.00 C ATOM 1154 O ALA A 82 0.738 -11.607 0.732 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.398 -11.993 3.121 1.00 0.00 C ATOM 0 H ALA A 82 -1.435 -9.695 3.958 1.00 0.00 H new ATOM 0 HA ALA A 82 0.648 -11.431 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.167 -12.961 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.517 -12.108 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.324 -11.609 2.692 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.639 -9.814 0.779 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.492 -9.524 -0.637 1.00 0.00 C ATOM 1163 C ALA A 83 0.930 -9.030 -0.907 1.00 0.00 C ATOM 1164 O ALA A 83 1.373 -9.000 -2.055 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.554 -8.508 -1.063 1.00 0.00 C ATOM 0 H ALA A 83 -1.256 -9.177 1.283 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.646 -10.425 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.444 -8.290 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.546 -8.920 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.429 -7.589 -0.490 1.00 0.00 H new ATOM 1171 N LEU A 84 1.607 -8.655 0.168 1.00 0.00 N ATOM 1172 CA LEU A 84 2.970 -8.164 0.061 1.00 0.00 C ATOM 1173 C LEU A 84 3.944 -9.307 0.354 1.00 0.00 C ATOM 1174 O LEU A 84 5.122 -9.227 0.008 1.00 0.00 O ATOM 1175 CB LEU A 84 3.171 -6.940 0.958 1.00 0.00 C ATOM 1176 CG LEU A 84 2.817 -5.588 0.335 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.395 -5.466 -1.076 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.306 -5.352 0.358 1.00 0.00 C ATOM 0 H LEU A 84 1.237 -8.681 1.118 1.00 0.00 H new ATOM 0 HA LEU A 84 3.173 -7.824 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.571 -7.071 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.214 -6.911 1.272 1.00 0.00 H new ATOM 0 HG LEU A 84 3.274 -4.804 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.129 -4.496 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.480 -5.557 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.988 -6.258 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.082 -4.384 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.806 -6.138 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.951 -5.365 1.389 1.00 0.00 H new ATOM 1190 N LYS A 85 3.417 -10.343 0.988 1.00 0.00 N ATOM 1191 CA LYS A 85 4.225 -11.501 1.331 1.00 0.00 C ATOM 1192 C LYS A 85 4.214 -12.490 0.163 1.00 0.00 C ATOM 1193 O LYS A 85 5.137 -13.288 0.012 1.00 0.00 O ATOM 1194 CB LYS A 85 3.756 -12.108 2.655 1.00 0.00 C ATOM 1195 CG LYS A 85 4.413 -11.404 3.844 1.00 0.00 C ATOM 1196 CD LYS A 85 3.964 -9.943 3.932 1.00 0.00 C ATOM 1197 CE LYS A 85 5.085 -8.999 3.491 1.00 0.00 C ATOM 1198 NZ LYS A 85 5.112 -7.792 4.348 1.00 0.00 N ATOM 0 H LYS A 85 2.440 -10.405 1.274 1.00 0.00 H new ATOM 0 HA LYS A 85 5.263 -11.208 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.672 -12.026 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.998 -13.171 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.155 -11.924 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.497 -11.450 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.086 -9.790 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.669 -9.710 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.045 -9.513 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.937 -8.710 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.878 -7.162 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.202 -7.294 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.275 -8.072 5.336 1.00 0.00 H new ATOM 1212 N ARG A 86 3.158 -12.404 -0.633 1.00 0.00 N ATOM 1213 CA ARG A 86 3.014 -13.281 -1.782 1.00 0.00 C ATOM 1214 C ARG A 86 3.603 -12.621 -3.031 1.00 0.00 C ATOM 1215 O ARG A 86 3.714 -13.254 -4.079 1.00 0.00 O ATOM 1216 CB ARG A 86 1.544 -13.618 -2.038 1.00 0.00 C ATOM 1217 CG ARG A 86 0.833 -12.466 -2.751 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.522 -12.915 -3.301 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.700 -12.412 -4.682 1.00 0.00 N ATOM 1220 CZ ARG A 86 0.117 -12.711 -5.701 1.00 0.00 C ATOM 1221 NH1 ARG A 86 1.172 -13.512 -5.502 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -0.122 -12.208 -6.920 1.00 0.00 N ATOM 0 H ARG A 86 2.394 -11.740 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 86 3.554 -14.203 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.475 -14.522 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.045 -13.828 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.692 -11.637 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.456 -12.098 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.585 -14.003 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.324 -12.543 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.494 -11.800 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.354 -13.895 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.793 -13.739 -6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.925 -11.598 -7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.499 -12.435 -7.696 1.00 0.00 H new ATOM 1236 N ALA A 87 3.965 -11.355 -2.877 1.00 0.00 N ATOM 1237 CA ALA A 87 4.540 -10.602 -3.978 1.00 0.00 C ATOM 1238 C ALA A 87 5.973 -11.078 -4.223 1.00 0.00 C ATOM 1239 O ALA A 87 6.260 -12.271 -4.129 1.00 0.00 O ATOM 1240 CB ALA A 87 4.468 -9.106 -3.667 1.00 0.00 C ATOM 0 H ALA A 87 3.871 -10.832 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 87 3.975 -10.772 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.900 -8.541 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.427 -8.812 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.026 -8.897 -2.754 1.00 0.00 H new ATOM 1246 N GLY A 88 6.836 -10.121 -4.532 1.00 0.00 N ATOM 1247 CA GLY A 88 8.233 -10.428 -4.791 1.00 0.00 C ATOM 1248 C GLY A 88 9.073 -9.150 -4.848 1.00 0.00 C ATOM 1249 O GLY A 88 8.863 -8.230 -4.060 1.00 0.00 O ATOM 0 H GLY A 88 6.595 -9.133 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.616 -11.085 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.322 -10.968 -5.733 1.00 0.00 H new ATOM 1253 N GLN A 89 10.006 -9.136 -5.788 1.00 0.00 N ATOM 1254 CA GLN A 89 10.879 -7.987 -5.958 1.00 0.00 C ATOM 1255 C GLN A 89 10.104 -6.817 -6.567 1.00 0.00 C ATOM 1256 O GLN A 89 10.134 -5.706 -6.040 1.00 0.00 O ATOM 1257 CB GLN A 89 12.095 -8.344 -6.815 1.00 0.00 C ATOM 1258 CG GLN A 89 13.320 -8.621 -5.941 1.00 0.00 C ATOM 1259 CD GLN A 89 14.496 -7.731 -6.348 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.589 -6.572 -5.978 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.387 -8.336 -7.129 1.00 0.00 N ATOM 0 H GLN A 89 10.177 -9.902 -6.440 1.00 0.00 H new ATOM 0 HA GLN A 89 11.244 -7.684 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.871 -9.221 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.312 -7.527 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.072 -8.446 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.605 -9.669 -6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.249 -9.309 -7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.209 -7.827 -7.455 1.00 0.00 H new ATOM 1270 N SER A 90 9.427 -7.106 -7.669 1.00 0.00 N ATOM 1271 CA SER A 90 8.645 -6.092 -8.355 1.00 0.00 C ATOM 1272 C SER A 90 7.173 -6.204 -7.952 1.00 0.00 C ATOM 1273 O SER A 90 6.433 -7.015 -8.508 1.00 0.00 O ATOM 1274 CB SER A 90 8.790 -6.218 -9.873 1.00 0.00 C ATOM 1275 OG SER A 90 9.582 -7.344 -10.242 1.00 0.00 O ATOM 0 H SER A 90 9.404 -8.028 -8.104 1.00 0.00 H new ATOM 0 HA SER A 90 9.022 -5.113 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.802 -6.306 -10.326 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.243 -5.310 -10.271 1.00 0.00 H new ATOM 0 HG SER A 90 9.077 -8.167 -10.077 1.00 0.00 H new ATOM 1281 N VAL A 91 6.792 -5.379 -6.988 1.00 0.00 N ATOM 1282 CA VAL A 91 5.422 -5.376 -6.504 1.00 0.00 C ATOM 1283 C VAL A 91 4.725 -4.096 -6.969 1.00 0.00 C ATOM 1284 O VAL A 91 5.200 -2.993 -6.702 1.00 0.00 O ATOM 1285 CB VAL A 91 5.404 -5.547 -4.983 1.00 0.00 C ATOM 1286 CG1 VAL A 91 3.980 -5.786 -4.476 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.338 -6.678 -4.548 1.00 0.00 C ATOM 0 H VAL A 91 7.408 -4.708 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 91 4.868 -6.218 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 91 5.768 -4.622 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.995 -5.904 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.352 -4.935 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.577 -6.689 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.307 -6.779 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.017 -7.612 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.357 -6.450 -4.862 1.00 0.00 H new ATOM 1297 N THR A 92 3.608 -4.285 -7.657 1.00 0.00 N ATOM 1298 CA THR A 92 2.841 -3.159 -8.162 1.00 0.00 C ATOM 1299 C THR A 92 1.776 -2.741 -7.146 1.00 0.00 C ATOM 1300 O THR A 92 0.726 -3.375 -7.045 1.00 0.00 O ATOM 1301 CB THR A 92 2.261 -3.554 -9.522 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.391 -4.008 -10.261 1.00 0.00 O ATOM 1303 CG2 THR A 92 1.757 -2.347 -10.316 1.00 0.00 C ATOM 0 H THR A 92 3.216 -5.201 -7.876 1.00 0.00 H new ATOM 0 HA THR A 92 3.473 -2.282 -8.304 1.00 0.00 H new ATOM 0 HB THR A 92 1.443 -4.260 -9.377 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.106 -4.286 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.356 -2.682 -11.272 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.974 -1.841 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.582 -1.656 -10.491 1.00 0.00 H new ATOM 1311 N ILE A 93 2.083 -1.678 -6.418 1.00 0.00 N ATOM 1312 CA ILE A 93 1.165 -1.168 -5.413 1.00 0.00 C ATOM 1313 C ILE A 93 0.388 0.016 -5.992 1.00 0.00 C ATOM 1314 O ILE A 93 0.930 1.112 -6.128 1.00 0.00 O ATOM 1315 CB ILE A 93 1.915 -0.838 -4.121 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.533 -2.097 -3.509 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.006 -0.107 -3.131 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.935 -2.346 -4.068 1.00 0.00 C ATOM 0 H ILE A 93 2.955 -1.155 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 93 0.433 -1.930 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 93 2.735 -0.162 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.583 -1.992 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.896 -2.957 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.564 0.116 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.654 0.823 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.151 -0.738 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.352 -3.246 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.878 -2.475 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.575 -1.495 -3.837 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.869 -0.245 -6.319 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.726 0.785 -6.880 1.00 0.00 C ATOM 1332 C VAL A 94 -2.533 1.439 -5.757 1.00 0.00 C ATOM 1333 O VAL A 94 -3.525 0.879 -5.293 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.607 0.190 -7.981 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.485 1.267 -8.622 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.760 -0.525 -9.035 1.00 0.00 C ATOM 0 H VAL A 94 -1.315 -1.156 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.127 1.567 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.264 -0.549 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.101 0.818 -9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.128 1.712 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.852 2.039 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.411 -0.938 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.067 0.184 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.198 -1.331 -8.564 1.00 0.00 H new ATOM 1346 N ALA A 95 -2.077 2.616 -5.353 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.745 3.352 -4.292 1.00 0.00 C ATOM 1348 C ALA A 95 -3.100 4.753 -4.796 1.00 0.00 C ATOM 1349 O ALA A 95 -2.327 5.368 -5.529 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.848 3.389 -3.053 1.00 0.00 C ATOM 0 H ALA A 95 -1.254 3.078 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.674 2.858 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.349 3.941 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.648 2.371 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.907 3.881 -3.299 1.00 0.00 H new ATOM 1356 N GLN A 96 -4.271 5.216 -4.383 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.738 6.532 -4.782 1.00 0.00 C ATOM 1358 C GLN A 96 -4.649 7.507 -3.607 1.00 0.00 C ATOM 1359 O GLN A 96 -5.214 7.257 -2.544 1.00 0.00 O ATOM 1360 CB GLN A 96 -6.165 6.464 -5.331 1.00 0.00 C ATOM 1361 CG GLN A 96 -7.111 5.814 -4.319 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.566 5.924 -4.780 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -9.456 6.287 -4.028 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.757 5.591 -6.053 1.00 0.00 N ATOM 0 H GLN A 96 -4.910 4.703 -3.776 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.093 6.898 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.515 7.468 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.174 5.895 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.845 4.765 -4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.996 6.295 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.967 5.296 -6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.693 5.631 -6.456 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.934 8.599 -3.838 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.763 9.612 -2.811 1.00 0.00 C ATOM 1375 C TYR A 97 -5.117 10.137 -2.327 1.00 0.00 C ATOM 1376 O TYR A 97 -5.733 10.974 -2.985 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.993 10.757 -3.472 1.00 0.00 C ATOM 1378 CG TYR A 97 -2.133 11.570 -2.503 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -2.681 12.639 -1.824 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.809 11.235 -2.307 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -1.872 13.405 -0.912 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.001 12.000 -1.395 1.00 0.00 C ATOM 1383 CZ TYR A 97 -0.571 13.047 -0.742 1.00 0.00 C ATOM 1384 OH TYR A 97 0.194 13.770 0.120 1.00 0.00 O ATOM 0 H TYR A 97 -3.467 8.804 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.240 9.199 -1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.353 10.347 -4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.703 11.425 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.717 12.901 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.380 10.398 -2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.289 14.244 -0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.039 11.748 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 97 0.261 13.295 0.975 1.00 0.00 H new ATOM 1394 N ARG A 98 -5.540 9.623 -1.182 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.809 10.029 -0.603 1.00 0.00 C ATOM 1396 C ARG A 98 -6.589 10.645 0.780 1.00 0.00 C ATOM 1397 O ARG A 98 -6.613 9.941 1.788 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.763 8.839 -0.477 1.00 0.00 C ATOM 1399 CG ARG A 98 -9.221 9.298 -0.528 1.00 0.00 C ATOM 1400 CD ARG A 98 -10.031 8.445 -1.506 1.00 0.00 C ATOM 1401 NE ARG A 98 -11.398 8.995 -1.645 1.00 0.00 N ATOM 1402 CZ ARG A 98 -12.374 8.412 -2.355 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -12.139 7.258 -2.995 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -13.584 8.983 -2.426 1.00 0.00 N ATOM 0 H ARG A 98 -5.026 8.929 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.255 10.769 -1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.573 8.129 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.575 8.315 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.661 9.233 0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.266 10.345 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.538 8.424 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.079 7.416 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.611 9.873 -1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.218 6.824 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.882 6.814 -3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.763 9.862 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.326 8.539 -2.966 1.00 0.00 H new ATOM 1418 N PRO A 99 -6.373 11.988 0.783 1.00 0.00 N ATOM 1419 CA PRO A 99 -6.149 12.707 2.026 1.00 0.00 C ATOM 1420 C PRO A 99 -7.455 12.880 2.803 1.00 0.00 C ATOM 1421 O PRO A 99 -7.437 13.162 4.000 1.00 0.00 O ATOM 1422 CB PRO A 99 -5.526 14.029 1.608 1.00 0.00 C ATOM 1423 CG PRO A 99 -5.852 14.195 0.133 1.00 0.00 C ATOM 1424 CD PRO A 99 -6.337 12.854 -0.391 1.00 0.00 C ATOM 0 HA PRO A 99 -5.491 12.170 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.932 14.854 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.448 14.022 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.618 14.958 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.971 14.524 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.322 12.941 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -5.665 12.460 -1.153 1.00 0.00 H new ATOM 1432 N GLU A 100 -8.558 12.703 2.091 1.00 0.00 N ATOM 1433 CA GLU A 100 -9.871 12.836 2.698 1.00 0.00 C ATOM 1434 C GLU A 100 -10.173 11.623 3.581 1.00 0.00 C ATOM 1435 O GLU A 100 -10.850 11.746 4.600 1.00 0.00 O ATOM 1436 CB GLU A 100 -10.953 13.020 1.632 1.00 0.00 C ATOM 1437 CG GLU A 100 -12.166 13.757 2.204 1.00 0.00 C ATOM 1438 CD GLU A 100 -13.237 13.965 1.131 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -12.849 14.372 0.014 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -14.418 13.712 1.451 1.00 0.00 O ATOM 0 H GLU A 100 -8.569 12.468 1.098 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.870 13.727 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.547 13.580 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.261 12.047 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.584 13.188 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.854 14.722 2.604 1.00 0.00 H new ATOM 1447 N GLU A 101 -9.655 10.479 3.158 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.860 9.246 3.897 1.00 0.00 C ATOM 1449 C GLU A 101 -8.807 9.105 4.998 1.00 0.00 C ATOM 1450 O GLU A 101 -9.129 9.186 6.183 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.838 8.036 2.961 1.00 0.00 C ATOM 1452 CG GLU A 101 -11.214 7.804 2.332 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.880 6.556 2.913 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.182 6.586 4.126 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.072 5.599 2.132 1.00 0.00 O ATOM 0 H GLU A 101 -9.093 10.381 2.312 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.844 9.286 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.097 8.192 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.533 7.148 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.848 8.673 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.110 7.696 1.252 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.571 8.897 4.569 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.470 8.745 5.504 1.00 0.00 C ATOM 1464 C TYR A 102 -6.644 9.669 6.711 1.00 0.00 C ATOM 1465 O TYR A 102 -6.258 9.319 7.825 1.00 0.00 O ATOM 1466 CB TYR A 102 -5.209 9.155 4.740 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.907 8.883 5.497 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.668 7.633 6.031 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.972 9.887 5.645 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.443 7.377 6.744 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.747 9.630 6.357 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.543 8.388 6.871 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.386 8.146 7.543 1.00 0.00 O ATOM 0 H TYR A 102 -7.308 8.830 3.586 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.420 7.721 5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.183 8.622 3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -5.267 10.218 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.399 6.847 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.159 10.865 5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.244 6.404 7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.007 10.407 6.480 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.543 7.464 8.229 1.00 0.00 H new ATOM 1483 N SER A 103 -7.225 10.830 6.448 1.00 0.00 N ATOM 1484 CA SER A 103 -7.455 11.807 7.500 1.00 0.00 C ATOM 1485 C SER A 103 -8.054 11.121 8.729 1.00 0.00 C ATOM 1486 O SER A 103 -7.647 11.394 9.857 1.00 0.00 O ATOM 1487 CB SER A 103 -8.375 12.930 7.016 1.00 0.00 C ATOM 1488 OG SER A 103 -9.630 12.433 6.561 1.00 0.00 O ATOM 0 H SER A 103 -7.543 11.117 5.522 1.00 0.00 H new ATOM 0 HA SER A 103 -6.497 12.251 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.539 13.640 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.887 13.476 6.209 1.00 0.00 H new ATOM 0 HG SER A 103 -9.809 12.773 5.659 1.00 0.00 H new ATOM 1494 N ARG A 104 -9.013 10.244 8.469 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.672 9.517 9.540 1.00 0.00 C ATOM 1496 C ARG A 104 -8.635 8.893 10.476 1.00 0.00 C ATOM 1497 O ARG A 104 -8.834 8.850 11.689 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.575 8.414 8.983 1.00 0.00 C ATOM 1499 CG ARG A 104 -11.589 8.986 7.990 1.00 0.00 C ATOM 1500 CD ARG A 104 -12.610 7.924 7.576 1.00 0.00 C ATOM 1501 NE ARG A 104 -12.980 8.104 6.154 1.00 0.00 N ATOM 1502 CZ ARG A 104 -13.758 9.096 5.701 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -14.253 10.003 6.555 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -14.042 9.182 4.394 1.00 0.00 N ATOM 0 H ARG A 104 -9.349 10.021 7.532 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.285 10.228 10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.967 7.655 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.100 7.921 9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.104 9.835 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.069 9.359 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.193 6.928 7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.498 7.998 8.203 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.620 7.431 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.037 9.938 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.845 10.758 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.666 8.492 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.634 9.937 4.049 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.550 8.424 9.876 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.481 7.804 10.640 1.00 0.00 C ATOM 1520 C PHE A 105 -5.534 8.860 11.214 1.00 0.00 C ATOM 1521 O PHE A 105 -5.184 8.810 12.392 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.703 6.908 9.675 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.530 5.765 9.083 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -7.315 5.003 9.891 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.480 5.510 7.748 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -8.082 3.943 9.342 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.247 4.450 7.198 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.032 3.688 8.007 1.00 0.00 C ATOM 0 H PHE A 105 -7.389 8.461 8.870 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.898 7.238 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.313 7.520 8.862 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.844 6.488 10.198 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.355 5.205 10.951 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.856 6.114 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.705 3.339 9.984 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.208 4.248 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.615 2.881 7.589 1.00 0.00 H new