USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 755 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 98 TYR OH : rot -26:sc= 1.25 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= -0.0412 F(o=-0.25!,f=1.2) USER MOD Set 2.1: A 85 TYR OH : rot 40:sc= 0.555 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.787 X(o=1.3,f=1.2!) USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0.167 USER MOD Set 3.2: A 102 SER OG : rot 27:sc= 0.486 USER MOD Set 4.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 37 HIS :FLIP no HD1:sc= -0.261 F(o=-1.1,f=-0.26) USER MOD Set 5.1: A 29 THR OG1 : rot 180:sc= 1.07 USER MOD Set 5.2: A 86 THR OG1 : rot -68:sc= 1.2 USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.078 USER MOD Single : A 18 MET CE :methyl -159:sc= -0.0278 (180deg=-0.776) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0167 (180deg=-0.163) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= -0.0272 (180deg=-0.27) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -1.78! USER MOD Single : A 35 GLN : amide:sc= -0.69 K(o=-0.69,f=-4.7!) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00111) USER MOD Single : A 47 TYR OH : rot 130:sc= -2.06! USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0146 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.569 F(o=-1.7!,f=-0.57) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 174:sc= -0.64 (180deg=-0.728) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 59:sc= 0.493 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -130:sc= 0.0267 USER MOD Single : A 84 TYR OH : rot -139:sc= 2.27 USER MOD Single : A 87 SER OG : rot -22:sc= 0.568 USER MOD Single : A 89 SER OG : rot -84:sc= 1.3 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc=-0.00299 F(o=-1,f=-0.003) USER MOD Single : A 105 GLN : amide:sc= -1.01 K(o=-1,f=-5.7!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0398 F(o=-0.72!,f=-0.04) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 34:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -4.989 -12.419 10.478 1.00 0.00 N ATOM 186 CA PHE A 13 -5.658 -11.272 9.886 1.00 0.00 C ATOM 187 C PHE A 13 -5.421 -11.246 8.379 1.00 0.00 C ATOM 188 O PHE A 13 -4.318 -11.535 7.907 1.00 0.00 O ATOM 189 CB PHE A 13 -5.176 -9.965 10.533 1.00 0.00 C ATOM 190 CG PHE A 13 -3.785 -9.548 10.137 1.00 0.00 C ATOM 191 CD1 PHE A 13 -2.682 -10.298 10.512 1.00 0.00 C ATOM 192 CD2 PHE A 13 -3.586 -8.405 9.378 1.00 0.00 C ATOM 193 CE1 PHE A 13 -1.410 -9.915 10.139 1.00 0.00 C ATOM 194 CE2 PHE A 13 -2.314 -8.019 9.002 1.00 0.00 C ATOM 195 CZ PHE A 13 -1.225 -8.774 9.383 1.00 0.00 C ATOM 0 HA PHE A 13 -6.729 -11.363 10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.870 -9.167 10.270 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.214 -10.075 11.617 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.819 -11.192 11.102 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.435 -7.809 9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.558 -10.508 10.438 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.173 -7.127 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.230 -8.474 9.091 1.00 0.00 H new ATOM 205 N SER A 14 -6.454 -10.910 7.628 1.00 0.00 N ATOM 206 CA SER A 14 -6.357 -10.864 6.182 1.00 0.00 C ATOM 207 C SER A 14 -6.643 -9.461 5.661 1.00 0.00 C ATOM 208 O SER A 14 -7.596 -8.805 6.087 1.00 0.00 O ATOM 209 CB SER A 14 -7.321 -11.879 5.566 1.00 0.00 C ATOM 210 OG SER A 14 -8.565 -11.877 6.247 1.00 0.00 O ATOM 0 H SER A 14 -7.372 -10.664 7.998 1.00 0.00 H new ATOM 0 HA SER A 14 -5.339 -11.123 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.478 -11.644 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.881 -12.875 5.608 1.00 0.00 H new ATOM 0 HG SER A 14 -9.165 -12.533 5.834 1.00 0.00 H new ATOM 216 N ILE A 15 -5.804 -8.992 4.755 1.00 0.00 N ATOM 217 CA ILE A 15 -5.988 -7.681 4.167 1.00 0.00 C ATOM 218 C ILE A 15 -6.567 -7.814 2.768 1.00 0.00 C ATOM 219 O ILE A 15 -5.938 -8.382 1.872 1.00 0.00 O ATOM 220 CB ILE A 15 -4.666 -6.890 4.119 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.087 -6.779 5.531 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.893 -5.508 3.520 1.00 0.00 C ATOM 223 CD1 ILE A 15 -2.756 -6.069 5.592 1.00 0.00 C ATOM 0 H ILE A 15 -4.989 -9.501 4.412 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.685 -7.128 4.797 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.955 -7.418 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.799 -6.250 6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.973 -7.780 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.949 -4.963 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.281 -5.610 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.611 -4.960 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.411 -6.030 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.028 -6.608 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.867 -5.055 5.208 1.00 0.00 H new ATOM 235 N GLU A 16 -7.776 -7.311 2.600 1.00 0.00 N ATOM 236 CA GLU A 16 -8.480 -7.408 1.334 1.00 0.00 C ATOM 237 C GLU A 16 -8.074 -6.254 0.427 1.00 0.00 C ATOM 238 O GLU A 16 -8.328 -5.094 0.745 1.00 0.00 O ATOM 239 CB GLU A 16 -9.988 -7.374 1.583 1.00 0.00 C ATOM 240 CG GLU A 16 -10.816 -7.887 0.421 1.00 0.00 C ATOM 241 CD GLU A 16 -10.660 -9.377 0.216 1.00 0.00 C ATOM 242 OE1 GLU A 16 -11.241 -10.151 1.006 1.00 0.00 O ATOM 243 OE2 GLU A 16 -9.963 -9.783 -0.732 1.00 0.00 O ATOM 0 H GLU A 16 -8.295 -6.826 3.332 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.219 -8.347 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.213 -7.970 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.286 -6.349 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.866 -7.655 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.522 -7.365 -0.490 1.00 0.00 H new ATOM 250 N THR A 17 -7.436 -6.568 -0.683 1.00 0.00 N ATOM 251 CA THR A 17 -6.980 -5.545 -1.607 1.00 0.00 C ATOM 252 C THR A 17 -7.820 -5.545 -2.879 1.00 0.00 C ATOM 253 O THR A 17 -7.922 -6.564 -3.565 1.00 0.00 O ATOM 254 CB THR A 17 -5.494 -5.751 -1.965 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.262 -7.128 -2.298 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.591 -5.341 -0.808 1.00 0.00 C ATOM 0 H THR A 17 -7.221 -7.523 -0.968 1.00 0.00 H new ATOM 0 HA THR A 17 -7.093 -4.581 -1.112 1.00 0.00 H new ATOM 0 HB THR A 17 -5.257 -5.122 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.009 -7.465 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.549 -5.496 -1.087 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.752 -4.288 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.826 -5.945 0.068 1.00 0.00 H new ATOM 264 N MET A 18 -8.437 -4.408 -3.177 1.00 0.00 N ATOM 265 CA MET A 18 -9.226 -4.261 -4.395 1.00 0.00 C ATOM 266 C MET A 18 -8.328 -4.341 -5.627 1.00 0.00 C ATOM 267 O MET A 18 -7.255 -3.739 -5.657 1.00 0.00 O ATOM 268 CB MET A 18 -9.989 -2.929 -4.401 1.00 0.00 C ATOM 269 CG MET A 18 -11.240 -2.915 -3.531 1.00 0.00 C ATOM 270 SD MET A 18 -10.894 -3.092 -1.769 1.00 0.00 S ATOM 271 CE MET A 18 -12.539 -2.919 -1.082 1.00 0.00 C ATOM 0 H MET A 18 -8.406 -3.573 -2.592 1.00 0.00 H new ATOM 0 HA MET A 18 -9.948 -5.077 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.318 -2.139 -4.064 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.272 -2.691 -5.426 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.777 -1.981 -3.696 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.901 -3.722 -3.846 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.467 -2.634 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.083 -2.150 -1.631 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.069 -3.868 -1.164 1.00 0.00 H new ATOM 281 N PRO A 19 -8.755 -5.101 -6.646 1.00 0.00 N ATOM 282 CA PRO A 19 -8.006 -5.255 -7.899 1.00 0.00 C ATOM 283 C PRO A 19 -7.671 -3.913 -8.546 1.00 0.00 C ATOM 284 O PRO A 19 -8.561 -3.157 -8.947 1.00 0.00 O ATOM 285 CB PRO A 19 -8.958 -6.059 -8.788 1.00 0.00 C ATOM 286 CG PRO A 19 -9.834 -6.793 -7.835 1.00 0.00 C ATOM 287 CD PRO A 19 -10.003 -5.885 -6.652 1.00 0.00 C ATOM 0 HA PRO A 19 -7.042 -5.739 -7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.540 -5.406 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.411 -6.746 -9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.797 -7.026 -8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.383 -7.740 -7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.879 -5.246 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.129 -6.448 -5.727 1.00 0.00 H new ATOM 295 N VAL A 20 -6.380 -3.628 -8.634 1.00 0.00 N ATOM 296 CA VAL A 20 -5.897 -2.370 -9.186 1.00 0.00 C ATOM 297 C VAL A 20 -5.915 -2.400 -10.715 1.00 0.00 C ATOM 298 O VAL A 20 -6.013 -3.474 -11.316 1.00 0.00 O ATOM 299 CB VAL A 20 -4.463 -2.066 -8.693 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.429 -1.975 -7.176 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.483 -3.123 -9.186 1.00 0.00 C ATOM 0 H VAL A 20 -5.640 -4.259 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.566 -1.582 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.160 -1.103 -9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.412 -1.761 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.093 -1.177 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.757 -2.922 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.482 -2.887 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.783 -4.101 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.482 -3.139 -10.276 1.00 0.00 H new ATOM 311 N PRO A 21 -5.842 -1.225 -11.366 1.00 0.00 N ATOM 312 CA PRO A 21 -5.749 -1.146 -12.822 1.00 0.00 C ATOM 313 C PRO A 21 -4.454 -1.769 -13.326 1.00 0.00 C ATOM 314 O PRO A 21 -3.363 -1.400 -12.887 1.00 0.00 O ATOM 315 CB PRO A 21 -5.767 0.358 -13.126 1.00 0.00 C ATOM 316 CG PRO A 21 -6.216 1.023 -11.870 1.00 0.00 C ATOM 317 CD PRO A 21 -5.852 0.104 -10.739 1.00 0.00 C ATOM 0 HA PRO A 21 -6.559 -1.687 -13.311 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.778 0.709 -13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.444 0.582 -13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.732 1.992 -11.751 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.291 1.204 -11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.880 0.355 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.578 0.159 -9.927 1.00 0.00 H new ATOM 325 N LYS A 22 -4.573 -2.712 -14.248 1.00 0.00 N ATOM 326 CA LYS A 22 -3.408 -3.419 -14.760 1.00 0.00 C ATOM 327 C LYS A 22 -2.633 -2.553 -15.748 1.00 0.00 C ATOM 328 O LYS A 22 -1.425 -2.711 -15.905 1.00 0.00 O ATOM 329 CB LYS A 22 -3.824 -4.737 -15.414 1.00 0.00 C ATOM 330 CG LYS A 22 -4.544 -5.681 -14.463 1.00 0.00 C ATOM 331 CD LYS A 22 -4.817 -7.025 -15.114 1.00 0.00 C ATOM 332 CE LYS A 22 -3.527 -7.773 -15.417 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.802 -8.166 -14.180 1.00 0.00 N ATOM 0 H LYS A 22 -5.461 -3.005 -14.656 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.752 -3.642 -13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.473 -4.524 -16.263 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.938 -5.235 -15.807 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.941 -5.826 -13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.485 -5.232 -14.145 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.442 -7.628 -14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.377 -6.876 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.755 -8.664 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.881 -7.146 -16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.047 -8.840 -14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.385 -7.322 -13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.466 -8.612 -13.515 1.00 0.00 H new ATOM 347 N LYS A 23 -3.329 -1.634 -16.401 1.00 0.00 N ATOM 348 CA LYS A 23 -2.687 -0.712 -17.324 1.00 0.00 C ATOM 349 C LYS A 23 -2.542 0.659 -16.682 1.00 0.00 C ATOM 350 O LYS A 23 -3.534 1.337 -16.410 1.00 0.00 O ATOM 351 CB LYS A 23 -3.477 -0.601 -18.630 1.00 0.00 C ATOM 352 CG LYS A 23 -3.580 -1.910 -19.392 1.00 0.00 C ATOM 353 CD LYS A 23 -4.256 -1.717 -20.740 1.00 0.00 C ATOM 354 CE LYS A 23 -4.429 -3.038 -21.470 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.330 -3.963 -20.735 1.00 0.00 N ATOM 0 H LYS A 23 -4.337 -1.508 -16.309 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.697 -1.102 -17.558 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.481 -0.240 -18.408 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.004 0.145 -19.269 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.583 -2.326 -19.540 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.143 -2.633 -18.801 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.230 -1.249 -20.596 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.663 -1.037 -21.352 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.833 -2.853 -22.465 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.455 -3.509 -21.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.639 -4.725 -21.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.822 -4.373 -19.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.161 -3.439 -20.393 1.00 0.00 H new ATOM 369 N LEU A 24 -1.306 1.054 -16.431 1.00 0.00 N ATOM 370 CA LEU A 24 -1.018 2.345 -15.829 1.00 0.00 C ATOM 371 C LEU A 24 0.079 3.054 -16.611 1.00 0.00 C ATOM 372 O LEU A 24 0.907 2.409 -17.253 1.00 0.00 O ATOM 373 CB LEU A 24 -0.597 2.174 -14.364 1.00 0.00 C ATOM 374 CG LEU A 24 -1.696 1.685 -13.419 1.00 0.00 C ATOM 375 CD1 LEU A 24 -1.120 1.379 -12.047 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.798 2.726 -13.306 1.00 0.00 C ATOM 0 H LEU A 24 -0.479 0.494 -16.637 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.923 2.952 -15.860 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.234 1.470 -14.322 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.224 3.130 -13.997 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.121 0.769 -13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.916 1.032 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.359 0.604 -12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.671 2.281 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.573 2.364 -12.630 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.382 3.655 -12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.230 2.906 -14.290 1.00 0.00 H new ATOM 388 N LYS A 25 0.071 4.377 -16.561 1.00 0.00 N ATOM 389 CA LYS A 25 1.062 5.181 -17.264 1.00 0.00 C ATOM 390 C LYS A 25 1.791 6.081 -16.278 1.00 0.00 C ATOM 391 O LYS A 25 1.342 6.258 -15.143 1.00 0.00 O ATOM 392 CB LYS A 25 0.393 6.035 -18.345 1.00 0.00 C ATOM 393 CG LYS A 25 -0.247 5.227 -19.464 1.00 0.00 C ATOM 394 CD LYS A 25 -0.964 6.132 -20.451 1.00 0.00 C ATOM 395 CE LYS A 25 -1.520 5.353 -21.631 1.00 0.00 C ATOM 396 NZ LYS A 25 -2.239 6.239 -22.584 1.00 0.00 N ATOM 0 H LYS A 25 -0.615 4.921 -16.038 1.00 0.00 H new ATOM 0 HA LYS A 25 1.777 4.511 -17.741 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.370 6.660 -17.880 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.136 6.706 -18.775 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.518 4.651 -19.984 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.953 4.512 -19.042 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.777 6.652 -19.943 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.274 6.895 -20.812 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.706 4.846 -22.149 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.198 4.580 -21.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.605 5.673 -23.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.031 6.704 -22.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.585 6.961 -22.948 1.00 0.00 H new ATOM 410 N VAL A 26 2.904 6.660 -16.707 1.00 0.00 N ATOM 411 CA VAL A 26 3.661 7.559 -15.854 1.00 0.00 C ATOM 412 C VAL A 26 2.856 8.829 -15.603 1.00 0.00 C ATOM 413 O VAL A 26 2.614 9.615 -16.520 1.00 0.00 O ATOM 414 CB VAL A 26 5.027 7.920 -16.473 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.819 8.828 -15.546 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.818 6.659 -16.787 1.00 0.00 C ATOM 0 H VAL A 26 3.300 6.523 -17.637 1.00 0.00 H new ATOM 0 HA VAL A 26 3.849 7.046 -14.911 1.00 0.00 H new ATOM 0 HB VAL A 26 4.847 8.458 -17.404 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.778 9.069 -16.004 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.260 9.747 -15.372 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.988 8.320 -14.596 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.779 6.932 -17.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.983 6.095 -15.869 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.259 6.046 -17.494 1.00 0.00 H new ATOM 426 N GLY A 27 2.423 9.011 -14.367 1.00 0.00 N ATOM 427 CA GLY A 27 1.587 10.144 -14.037 1.00 0.00 C ATOM 428 C GLY A 27 0.186 9.726 -13.651 1.00 0.00 C ATOM 429 O GLY A 27 -0.597 10.539 -13.166 1.00 0.00 O ATOM 0 H GLY A 27 2.636 8.393 -13.584 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.038 10.699 -13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.541 10.820 -14.891 1.00 0.00 H new ATOM 433 N GLU A 28 -0.132 8.454 -13.870 1.00 0.00 N ATOM 434 CA GLU A 28 -1.436 7.919 -13.504 1.00 0.00 C ATOM 435 C GLU A 28 -1.454 7.513 -12.039 1.00 0.00 C ATOM 436 O GLU A 28 -0.471 6.982 -11.526 1.00 0.00 O ATOM 437 CB GLU A 28 -1.799 6.721 -14.380 1.00 0.00 C ATOM 438 CG GLU A 28 -2.135 7.096 -15.810 1.00 0.00 C ATOM 439 CD GLU A 28 -3.312 8.044 -15.888 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.425 7.649 -15.481 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.128 9.195 -16.334 1.00 0.00 O ATOM 0 H GLU A 28 0.497 7.775 -14.299 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.177 8.703 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.966 6.018 -14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.651 6.204 -13.939 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.266 7.559 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.359 6.193 -16.378 1.00 0.00 H new ATOM 448 N THR A 29 -2.571 7.765 -11.378 1.00 0.00 N ATOM 449 CA THR A 29 -2.712 7.440 -9.969 1.00 0.00 C ATOM 450 C THR A 29 -3.758 6.347 -9.766 1.00 0.00 C ATOM 451 O THR A 29 -4.908 6.485 -10.189 1.00 0.00 O ATOM 452 CB THR A 29 -3.104 8.687 -9.149 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.153 9.736 -9.381 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.159 8.371 -7.660 1.00 0.00 C ATOM 0 H THR A 29 -3.396 8.195 -11.796 1.00 0.00 H new ATOM 0 HA THR A 29 -1.746 7.078 -9.619 1.00 0.00 H new ATOM 0 HB THR A 29 -4.095 9.007 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.405 10.527 -8.860 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.438 9.268 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.898 7.590 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.180 8.028 -7.325 1.00 0.00 H new ATOM 462 N ALA A 30 -3.347 5.259 -9.136 1.00 0.00 N ATOM 463 CA ALA A 30 -4.247 4.161 -8.833 1.00 0.00 C ATOM 464 C ALA A 30 -4.600 4.156 -7.350 1.00 0.00 C ATOM 465 O ALA A 30 -3.711 4.176 -6.494 1.00 0.00 O ATOM 466 CB ALA A 30 -3.613 2.835 -9.232 1.00 0.00 C ATOM 0 H ALA A 30 -2.387 5.113 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.165 4.295 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.298 2.020 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.403 2.839 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.683 2.696 -8.681 1.00 0.00 H new ATOM 472 N GLU A 31 -5.892 4.148 -7.047 1.00 0.00 N ATOM 473 CA GLU A 31 -6.340 4.093 -5.665 1.00 0.00 C ATOM 474 C GLU A 31 -6.409 2.642 -5.209 1.00 0.00 C ATOM 475 O GLU A 31 -7.361 1.922 -5.515 1.00 0.00 O ATOM 476 CB GLU A 31 -7.707 4.773 -5.498 1.00 0.00 C ATOM 477 CG GLU A 31 -8.219 4.770 -4.063 1.00 0.00 C ATOM 478 CD GLU A 31 -9.564 5.455 -3.910 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.597 4.815 -4.178 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.594 6.635 -3.504 1.00 0.00 O ATOM 0 H GLU A 31 -6.643 4.179 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.624 4.633 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.636 5.803 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.434 4.270 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.301 3.740 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.490 5.266 -3.422 1.00 0.00 H new ATOM 487 N ILE A 32 -5.380 2.215 -4.494 1.00 0.00 N ATOM 488 CA ILE A 32 -5.318 0.860 -3.982 1.00 0.00 C ATOM 489 C ILE A 32 -5.991 0.797 -2.624 1.00 0.00 C ATOM 490 O ILE A 32 -5.399 1.167 -1.610 1.00 0.00 O ATOM 491 CB ILE A 32 -3.857 0.375 -3.842 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.082 0.625 -5.138 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.823 -1.102 -3.474 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.611 0.282 -5.042 1.00 0.00 C ATOM 0 H ILE A 32 -4.574 2.793 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.832 0.211 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.379 0.941 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.532 0.038 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.184 1.674 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.788 -1.430 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.340 -1.253 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.317 -1.683 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.127 0.485 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.146 0.888 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.499 -0.774 -4.795 1.00 0.00 H new ATOM 506 N ARG A 33 -7.232 0.350 -2.596 1.00 0.00 N ATOM 507 CA ARG A 33 -7.956 0.262 -1.345 1.00 0.00 C ATOM 508 C ARG A 33 -7.665 -1.063 -0.671 1.00 0.00 C ATOM 509 O ARG A 33 -7.851 -2.126 -1.264 1.00 0.00 O ATOM 510 CB ARG A 33 -9.459 0.422 -1.559 1.00 0.00 C ATOM 511 CG ARG A 33 -10.228 0.553 -0.254 1.00 0.00 C ATOM 512 CD ARG A 33 -11.706 0.784 -0.494 1.00 0.00 C ATOM 513 NE ARG A 33 -12.394 1.203 0.725 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.198 2.263 0.791 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.406 3.011 -0.289 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.779 2.584 1.941 1.00 0.00 N ATOM 0 H ARG A 33 -7.755 0.045 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.620 1.076 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.642 1.303 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.836 -0.437 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.093 -0.351 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.820 1.380 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.835 1.545 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.161 -0.132 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.251 0.653 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.950 2.773 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.022 3.822 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.610 2.019 2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.395 3.396 1.992 1.00 0.00 H new ATOM 530 N CYS A 34 -7.183 -0.994 0.552 1.00 0.00 N ATOM 531 CA CYS A 34 -6.925 -2.185 1.328 1.00 0.00 C ATOM 532 C CYS A 34 -7.817 -2.187 2.559 1.00 0.00 C ATOM 533 O CYS A 34 -7.848 -1.216 3.318 1.00 0.00 O ATOM 534 CB CYS A 34 -5.452 -2.237 1.731 1.00 0.00 C ATOM 535 SG CYS A 34 -4.302 -1.976 0.358 1.00 0.00 S ATOM 0 H CYS A 34 -6.962 -0.121 1.030 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.147 -3.068 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.268 -1.481 2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.245 -3.206 2.186 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.080 -2.036 0.798 1.00 0.00 H new ATOM 541 N GLN A 35 -8.554 -3.267 2.740 1.00 0.00 N ATOM 542 CA GLN A 35 -9.446 -3.390 3.875 1.00 0.00 C ATOM 543 C GLN A 35 -8.912 -4.451 4.824 1.00 0.00 C ATOM 544 O GLN A 35 -8.883 -5.639 4.493 1.00 0.00 O ATOM 545 CB GLN A 35 -10.848 -3.772 3.400 1.00 0.00 C ATOM 546 CG GLN A 35 -11.919 -3.640 4.468 1.00 0.00 C ATOM 547 CD GLN A 35 -12.277 -2.196 4.770 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.196 -1.329 3.900 1.00 0.00 O ATOM 549 NE2 GLN A 35 -12.676 -1.928 6.005 1.00 0.00 N ATOM 0 H GLN A 35 -8.552 -4.072 2.114 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.501 -2.434 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.117 -3.143 2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.831 -4.801 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.814 -4.171 4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.574 -4.123 5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.730 -2.675 6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.930 -0.974 6.263 1.00 0.00 H new ATOM 558 N LEU A 36 -8.484 -4.021 5.994 1.00 0.00 N ATOM 559 CA LEU A 36 -7.918 -4.930 6.973 1.00 0.00 C ATOM 560 C LEU A 36 -9.027 -5.635 7.750 1.00 0.00 C ATOM 561 O LEU A 36 -9.808 -4.994 8.457 1.00 0.00 O ATOM 562 CB LEU A 36 -6.987 -4.168 7.922 1.00 0.00 C ATOM 563 CG LEU A 36 -6.191 -5.041 8.892 1.00 0.00 C ATOM 564 CD1 LEU A 36 -4.701 -4.790 8.734 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.623 -4.776 10.325 1.00 0.00 C ATOM 0 H LEU A 36 -8.517 -3.046 6.291 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.334 -5.689 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.286 -3.583 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.582 -3.461 8.499 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.393 -6.086 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.150 -5.420 9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.398 -5.028 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.484 -3.742 8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.046 -5.406 11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.450 -3.728 10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.683 -5.004 10.433 1.00 0.00 H new ATOM 577 N HIS A 37 -9.106 -6.951 7.596 1.00 0.00 N ATOM 578 CA HIS A 37 -10.100 -7.751 8.302 1.00 0.00 C ATOM 579 C HIS A 37 -9.618 -8.062 9.708 1.00 0.00 C ATOM 580 O HIS A 37 -8.577 -8.695 9.889 1.00 0.00 O ATOM 581 CB HIS A 37 -10.384 -9.061 7.559 1.00 0.00 C ATOM 582 CG HIS A 37 -11.165 -8.891 6.293 1.00 0.00 C ATOM 583 ND1 HIS A 37 -12.321 -8.230 6.054 1.00 0.00 N flip ATOM 584 CD2 HIS A 37 -10.797 -9.459 5.092 1.00 0.00 C flip ATOM 585 CE1 HIS A 37 -12.630 -8.409 4.729 1.00 0.00 C flip ATOM 586 NE2 HIS A 37 -11.694 -9.153 4.172 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.491 -7.489 6.986 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.022 -7.172 8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.436 -9.546 7.326 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.930 -9.731 8.223 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.914 -10.060 4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.497 -8.007 4.225 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -11.667 -9.443 3.195 1.00 0.00 H new ATOM 595 N ARG A 38 -10.362 -7.608 10.701 1.00 0.00 N ATOM 596 CA ARG A 38 -9.989 -7.845 12.084 1.00 0.00 C ATOM 597 C ARG A 38 -10.814 -8.953 12.710 1.00 0.00 C ATOM 598 O ARG A 38 -12.034 -9.010 12.544 1.00 0.00 O ATOM 599 CB ARG A 38 -10.137 -6.578 12.921 1.00 0.00 C ATOM 600 CG ARG A 38 -9.142 -5.494 12.566 1.00 0.00 C ATOM 601 CD ARG A 38 -9.062 -4.436 13.653 1.00 0.00 C ATOM 602 NE ARG A 38 -10.296 -3.668 13.786 1.00 0.00 N ATOM 603 CZ ARG A 38 -10.335 -2.339 13.828 1.00 0.00 C ATOM 604 NH1 ARG A 38 -9.210 -1.634 13.742 1.00 0.00 N ATOM 605 NH2 ARG A 38 -11.502 -1.723 13.964 1.00 0.00 N ATOM 0 H ARG A 38 -11.223 -7.076 10.577 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.943 -8.152 12.074 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.147 -6.187 12.796 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.022 -6.834 13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.158 -5.937 12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.430 -5.028 11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.834 -4.916 14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.238 -3.757 13.433 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.177 -4.178 13.850 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.315 -2.112 13.644 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.243 -0.615 13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.361 -2.268 14.036 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.540 -0.704 13.997 1.00 0.00 H new ATOM 712 N THR A 45 -5.799 -0.151 16.736 1.00 0.00 N ATOM 713 CA THR A 45 -4.483 -0.126 17.349 1.00 0.00 C ATOM 714 C THR A 45 -3.458 0.454 16.366 1.00 0.00 C ATOM 715 O THR A 45 -3.835 0.992 15.325 1.00 0.00 O ATOM 716 CB THR A 45 -4.078 -1.547 17.809 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.989 -1.482 18.733 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.697 -2.433 16.628 1.00 0.00 C ATOM 0 HA THR A 45 -4.510 0.515 18.230 1.00 0.00 H new ATOM 0 HB THR A 45 -4.945 -1.989 18.301 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.745 -2.388 19.016 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.419 -3.423 16.990 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.546 -2.520 15.950 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.854 -1.990 16.098 1.00 0.00 H new ATOM 726 N LYS A 46 -2.171 0.355 16.686 1.00 0.00 N ATOM 727 CA LYS A 46 -1.139 0.905 15.819 1.00 0.00 C ATOM 728 C LYS A 46 -0.791 -0.072 14.704 1.00 0.00 C ATOM 729 O LYS A 46 -0.160 -1.104 14.939 1.00 0.00 O ATOM 730 CB LYS A 46 0.125 1.246 16.611 1.00 0.00 C ATOM 731 CG LYS A 46 -0.105 2.223 17.749 1.00 0.00 C ATOM 732 CD LYS A 46 1.200 2.596 18.430 1.00 0.00 C ATOM 733 CE LYS A 46 0.959 3.380 19.713 1.00 0.00 C ATOM 734 NZ LYS A 46 0.296 4.690 19.466 1.00 0.00 N ATOM 0 H LYS A 46 -1.822 -0.097 17.531 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.536 1.821 15.381 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.547 0.326 17.015 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.866 1.665 15.930 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.588 3.122 17.367 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.785 1.782 18.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.764 1.691 18.656 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.810 3.190 17.749 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.342 2.786 20.387 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.911 3.548 20.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.170 5.191 20.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.887 5.264 18.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.633 4.531 19.026 1.00 0.00 H new ATOM 748 N TYR A 47 -1.224 0.247 13.498 1.00 0.00 N ATOM 749 CA TYR A 47 -0.852 -0.530 12.329 1.00 0.00 C ATOM 750 C TYR A 47 0.298 0.171 11.627 1.00 0.00 C ATOM 751 O TYR A 47 0.366 1.392 11.628 1.00 0.00 O ATOM 752 CB TYR A 47 -2.044 -0.691 11.386 1.00 0.00 C ATOM 753 CG TYR A 47 -3.265 -1.263 12.067 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.370 -2.626 12.315 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.303 -0.438 12.484 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.477 -3.149 12.954 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.408 -0.954 13.128 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.491 -2.307 13.360 1.00 0.00 C ATOM 759 OH TYR A 47 -6.590 -2.821 14.006 1.00 0.00 O ATOM 0 H TYR A 47 -1.835 1.040 13.302 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.540 -1.528 12.636 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.295 0.280 10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.760 -1.340 10.558 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.574 -3.286 12.003 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.243 0.625 12.301 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.548 -4.211 13.135 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.204 -0.299 13.449 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.758 -2.309 14.824 1.00 0.00 H new ATOM 769 N PHE A 48 1.206 -0.589 11.052 1.00 0.00 N ATOM 770 CA PHE A 48 2.401 -0.012 10.458 1.00 0.00 C ATOM 771 C PHE A 48 2.505 -0.366 8.983 1.00 0.00 C ATOM 772 O PHE A 48 2.287 -1.515 8.596 1.00 0.00 O ATOM 773 CB PHE A 48 3.645 -0.497 11.202 1.00 0.00 C ATOM 774 CG PHE A 48 3.611 -0.203 12.674 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.661 1.103 13.135 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.526 -1.231 13.599 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.627 1.378 14.487 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.491 -0.960 14.953 1.00 0.00 C ATOM 779 CZ PHE A 48 3.541 0.345 15.397 1.00 0.00 C ATOM 0 H PHE A 48 1.143 -1.605 10.982 1.00 0.00 H new ATOM 0 HA PHE A 48 2.332 1.072 10.544 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.751 -1.572 11.056 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.527 -0.028 10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.727 1.916 12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.487 -2.255 13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.668 2.401 14.832 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.424 -1.770 15.664 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.513 0.558 16.455 1.00 0.00 H new ATOM 789 N ILE A 49 2.836 0.624 8.169 1.00 0.00 N ATOM 790 CA ILE A 49 2.977 0.418 6.739 1.00 0.00 C ATOM 791 C ILE A 49 4.332 0.914 6.238 1.00 0.00 C ATOM 792 O ILE A 49 4.805 1.987 6.624 1.00 0.00 O ATOM 793 CB ILE A 49 1.843 1.120 5.949 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.011 0.887 4.443 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.809 2.611 6.256 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.928 1.528 3.604 1.00 0.00 C ATOM 0 H ILE A 49 3.012 1.580 8.477 1.00 0.00 H new ATOM 0 HA ILE A 49 2.909 -0.656 6.567 1.00 0.00 H new ATOM 0 HB ILE A 49 0.894 0.686 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.979 1.277 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.021 -0.186 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.005 3.081 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.637 2.759 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.761 3.062 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.113 1.320 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.042 1.120 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.931 2.606 3.768 1.00 0.00 H new ATOM 808 N ARG A 50 4.966 0.100 5.408 1.00 0.00 N ATOM 809 CA ARG A 50 6.183 0.486 4.712 1.00 0.00 C ATOM 810 C ARG A 50 6.268 -0.320 3.421 1.00 0.00 C ATOM 811 O ARG A 50 5.948 -1.507 3.411 1.00 0.00 O ATOM 812 CB ARG A 50 7.421 0.251 5.597 1.00 0.00 C ATOM 813 CG ARG A 50 7.848 -1.205 5.707 1.00 0.00 C ATOM 814 CD ARG A 50 8.788 -1.438 6.882 1.00 0.00 C ATOM 815 NE ARG A 50 9.888 -0.472 6.938 1.00 0.00 N ATOM 816 CZ ARG A 50 11.105 -0.765 7.399 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.426 -2.021 7.683 1.00 0.00 N ATOM 818 NH2 ARG A 50 12.018 0.188 7.546 1.00 0.00 N ATOM 0 H ARG A 50 4.651 -0.847 5.198 1.00 0.00 H new ATOM 0 HA ARG A 50 6.157 1.551 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.253 0.832 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.216 0.633 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.965 -1.834 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.340 -1.509 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.219 -1.386 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.200 -2.445 6.816 1.00 0.00 H new ATOM 0 HE ARG A 50 9.714 0.477 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.741 -2.765 7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.357 -2.242 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.791 1.153 7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.946 -0.045 7.899 1.00 0.00 H new ATOM 832 N TYR A 51 6.656 0.310 2.328 1.00 0.00 N ATOM 833 CA TYR A 51 6.684 -0.384 1.049 1.00 0.00 C ATOM 834 C TYR A 51 8.116 -0.569 0.575 1.00 0.00 C ATOM 835 O TYR A 51 8.972 0.289 0.805 1.00 0.00 O ATOM 836 CB TYR A 51 5.861 0.373 -0.004 1.00 0.00 C ATOM 837 CG TYR A 51 6.558 1.572 -0.612 1.00 0.00 C ATOM 838 CD1 TYR A 51 6.803 2.721 0.131 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.970 1.549 -1.939 1.00 0.00 C ATOM 840 CE1 TYR A 51 7.441 3.809 -0.433 1.00 0.00 C ATOM 841 CE2 TYR A 51 7.605 2.635 -2.506 1.00 0.00 C ATOM 842 CZ TYR A 51 7.841 3.760 -1.751 1.00 0.00 C ATOM 843 OH TYR A 51 8.477 4.841 -2.316 1.00 0.00 O ATOM 0 H TYR A 51 6.952 1.286 2.296 1.00 0.00 H new ATOM 0 HA TYR A 51 6.235 -1.368 1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.595 -0.319 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.929 0.705 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.490 2.764 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.790 0.667 -2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.626 4.695 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.916 2.602 -3.540 1.00 0.00 H new ATOM 0 HH TYR A 51 8.693 4.642 -3.251 1.00 0.00 H new ATOM 853 N PHE A 52 8.375 -1.691 -0.069 1.00 0.00 N ATOM 854 CA PHE A 52 9.691 -1.970 -0.604 1.00 0.00 C ATOM 855 C PHE A 52 9.607 -2.175 -2.109 1.00 0.00 C ATOM 856 O PHE A 52 8.616 -2.696 -2.621 1.00 0.00 O ATOM 857 CB PHE A 52 10.292 -3.206 0.076 1.00 0.00 C ATOM 858 CG PHE A 52 11.685 -3.537 -0.381 1.00 0.00 C ATOM 859 CD1 PHE A 52 12.747 -2.711 -0.056 1.00 0.00 C ATOM 860 CD2 PHE A 52 11.930 -4.673 -1.137 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.029 -3.008 -0.477 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.209 -4.977 -1.561 1.00 0.00 C ATOM 863 CZ PHE A 52 14.260 -4.143 -1.231 1.00 0.00 C ATOM 0 H PHE A 52 7.687 -2.426 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 52 10.342 -1.119 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.302 -3.046 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.645 -4.063 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.571 -1.824 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.112 -5.328 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 52 14.849 -2.355 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.387 -5.865 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.261 -4.378 -1.562 1.00 0.00 H new ATOM 873 N GLN A 53 10.632 -1.728 -2.815 1.00 0.00 N ATOM 874 CA GLN A 53 10.700 -1.904 -4.254 1.00 0.00 C ATOM 875 C GLN A 53 12.074 -2.416 -4.646 1.00 0.00 C ATOM 876 O GLN A 53 13.045 -1.658 -4.638 1.00 0.00 O ATOM 877 CB GLN A 53 10.433 -0.589 -4.989 1.00 0.00 C ATOM 878 CG GLN A 53 9.078 0.034 -4.703 1.00 0.00 C ATOM 879 CD GLN A 53 8.883 1.348 -5.434 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.975 2.046 -5.705 1.00 0.00 O flip ATOM 881 NE2 GLN A 53 7.761 1.730 -5.762 1.00 0.00 N flip ATOM 0 H GLN A 53 11.431 -1.239 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 53 9.933 -2.625 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.210 0.126 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.518 -0.764 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.292 -0.662 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.975 0.199 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.943 1.164 -5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.648 2.613 -6.261 1.00 0.00 H new ATOM 890 N PRO A 54 12.191 -3.712 -4.952 1.00 0.00 N ATOM 891 CA PRO A 54 13.431 -4.272 -5.484 1.00 0.00 C ATOM 892 C PRO A 54 13.804 -3.584 -6.793 1.00 0.00 C ATOM 893 O PRO A 54 14.941 -3.147 -6.989 1.00 0.00 O ATOM 894 CB PRO A 54 13.089 -5.746 -5.729 1.00 0.00 C ATOM 895 CG PRO A 54 11.899 -6.020 -4.873 1.00 0.00 C ATOM 896 CD PRO A 54 11.140 -4.728 -4.788 1.00 0.00 C ATOM 0 HA PRO A 54 14.280 -4.142 -4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.868 -5.929 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.924 -6.394 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.281 -6.807 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.202 -6.360 -3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.382 -4.654 -5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.625 -4.625 -3.833 1.00 0.00 H new ATOM 904 N ASP A 55 12.810 -3.464 -7.660 1.00 0.00 N ATOM 905 CA ASP A 55 12.957 -2.797 -8.945 1.00 0.00 C ATOM 906 C ASP A 55 11.655 -2.084 -9.285 1.00 0.00 C ATOM 907 O ASP A 55 10.596 -2.712 -9.319 1.00 0.00 O ATOM 908 CB ASP A 55 13.306 -3.806 -10.050 1.00 0.00 C ATOM 909 CG ASP A 55 14.753 -4.266 -10.014 1.00 0.00 C ATOM 910 OD1 ASP A 55 15.078 -5.196 -9.242 1.00 0.00 O ATOM 911 OD2 ASP A 55 15.575 -3.706 -10.771 1.00 0.00 O ATOM 0 H ASP A 55 11.873 -3.829 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 55 13.771 -2.075 -8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.654 -4.675 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.100 -3.355 -11.021 1.00 0.00 H new ATOM 916 N GLY A 56 11.726 -0.778 -9.504 1.00 0.00 N ATOM 917 CA GLY A 56 10.530 -0.018 -9.819 1.00 0.00 C ATOM 918 C GLY A 56 10.598 1.407 -9.313 1.00 0.00 C ATOM 919 O GLY A 56 11.542 1.778 -8.608 1.00 0.00 O ATOM 0 H GLY A 56 12.587 -0.232 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.383 -0.010 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.663 -0.514 -9.383 1.00 0.00 H new ATOM 923 N ALA A 57 9.598 2.207 -9.663 1.00 0.00 N ATOM 924 CA ALA A 57 9.566 3.608 -9.268 1.00 0.00 C ATOM 925 C ALA A 57 8.151 4.169 -9.337 1.00 0.00 C ATOM 926 O ALA A 57 7.477 4.063 -10.364 1.00 0.00 O ATOM 927 CB ALA A 57 10.493 4.430 -10.150 1.00 0.00 C ATOM 0 H ALA A 57 8.798 1.908 -10.220 1.00 0.00 H new ATOM 0 HA ALA A 57 9.908 3.670 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.457 5.475 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.513 4.058 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.174 4.348 -11.189 1.00 0.00 H new ATOM 933 N GLY A 58 7.708 4.772 -8.246 1.00 0.00 N ATOM 934 CA GLY A 58 6.397 5.378 -8.212 1.00 0.00 C ATOM 935 C GLY A 58 6.196 6.213 -6.968 1.00 0.00 C ATOM 936 O GLY A 58 6.980 6.124 -6.023 1.00 0.00 O ATOM 0 H GLY A 58 8.238 4.852 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.263 6.003 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.635 4.599 -8.254 1.00 0.00 H new ATOM 940 N THR A 59 5.160 7.031 -6.972 1.00 0.00 N ATOM 941 CA THR A 59 4.841 7.867 -5.832 1.00 0.00 C ATOM 942 C THR A 59 3.656 7.283 -5.072 1.00 0.00 C ATOM 943 O THR A 59 2.533 7.267 -5.574 1.00 0.00 O ATOM 944 CB THR A 59 4.514 9.304 -6.282 1.00 0.00 C ATOM 945 OG1 THR A 59 5.585 9.814 -7.093 1.00 0.00 O ATOM 946 CG2 THR A 59 4.301 10.219 -5.084 1.00 0.00 C ATOM 0 H THR A 59 4.521 7.134 -7.760 1.00 0.00 H new ATOM 0 HA THR A 59 5.711 7.898 -5.176 1.00 0.00 H new ATOM 0 HB THR A 59 3.592 9.278 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.373 10.727 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.072 11.226 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.472 9.845 -4.483 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.207 10.242 -4.478 1.00 0.00 H new ATOM 954 N LEU A 60 3.909 6.797 -3.867 1.00 0.00 N ATOM 955 CA LEU A 60 2.872 6.162 -3.072 1.00 0.00 C ATOM 956 C LEU A 60 2.444 7.074 -1.932 1.00 0.00 C ATOM 957 O LEU A 60 3.253 7.451 -1.087 1.00 0.00 O ATOM 958 CB LEU A 60 3.375 4.822 -2.524 1.00 0.00 C ATOM 959 CG LEU A 60 2.331 3.984 -1.785 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.183 3.622 -2.713 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.967 2.730 -1.206 1.00 0.00 C ATOM 0 H LEU A 60 4.825 6.831 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 60 2.007 5.977 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.768 4.234 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.207 5.015 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 60 1.932 4.578 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.450 3.026 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.710 4.533 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.565 3.047 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.209 2.146 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.394 2.133 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.754 3.011 -0.507 1.00 0.00 H new ATOM 973 N LYS A 61 1.178 7.447 -1.924 1.00 0.00 N ATOM 974 CA LYS A 61 0.641 8.290 -0.869 1.00 0.00 C ATOM 975 C LYS A 61 -0.428 7.541 -0.093 1.00 0.00 C ATOM 976 O LYS A 61 -1.169 6.736 -0.655 1.00 0.00 O ATOM 977 CB LYS A 61 0.045 9.571 -1.455 1.00 0.00 C ATOM 978 CG LYS A 61 1.037 10.404 -2.248 1.00 0.00 C ATOM 979 CD LYS A 61 0.353 11.586 -2.912 1.00 0.00 C ATOM 980 CE LYS A 61 1.326 12.383 -3.759 1.00 0.00 C ATOM 981 NZ LYS A 61 0.646 13.471 -4.504 1.00 0.00 N ATOM 0 H LYS A 61 0.500 7.179 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 61 1.456 8.555 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.792 9.308 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.357 10.178 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.826 10.761 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.513 9.783 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.468 11.231 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.082 12.232 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.100 12.809 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.825 11.717 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.345 13.993 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.075 13.063 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.191 14.121 -3.831 1.00 0.00 H new ATOM 995 N MET A 62 -0.504 7.798 1.197 1.00 0.00 N ATOM 996 CA MET A 62 -1.543 7.208 2.017 1.00 0.00 C ATOM 997 C MET A 62 -2.811 8.053 1.904 1.00 0.00 C ATOM 998 O MET A 62 -2.745 9.221 1.531 1.00 0.00 O ATOM 999 CB MET A 62 -1.076 7.085 3.473 1.00 0.00 C ATOM 1000 CG MET A 62 -2.056 6.351 4.376 1.00 0.00 C ATOM 1001 SD MET A 62 -1.308 5.787 5.918 1.00 0.00 S ATOM 1002 CE MET A 62 -0.601 7.309 6.544 1.00 0.00 C ATOM 0 H MET A 62 0.139 8.410 1.699 1.00 0.00 H new ATOM 0 HA MET A 62 -1.762 6.201 1.663 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.118 6.565 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.905 8.084 3.875 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.894 7.010 4.605 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.462 5.493 3.840 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.198 7.139 7.542 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.199 7.638 5.881 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.373 8.077 6.590 1.00 0.00 H new ATOM 1012 N SER A 63 -3.954 7.443 2.199 1.00 0.00 N ATOM 1013 CA SER A 63 -5.266 8.086 2.091 1.00 0.00 C ATOM 1014 C SER A 63 -5.310 9.482 2.727 1.00 0.00 C ATOM 1015 O SER A 63 -6.037 10.360 2.256 1.00 0.00 O ATOM 1016 CB SER A 63 -6.312 7.180 2.746 1.00 0.00 C ATOM 1017 OG SER A 63 -7.623 7.663 2.548 1.00 0.00 O ATOM 0 H SER A 63 -4.000 6.477 2.524 1.00 0.00 H new ATOM 0 HA SER A 63 -5.478 8.226 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.230 6.174 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.110 7.105 3.814 1.00 0.00 H new ATOM 0 HG SER A 63 -8.263 7.058 2.979 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.528 9.694 3.777 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.565 10.958 4.508 1.00 0.00 C ATOM 1025 C ASP A 64 -3.743 12.029 3.792 1.00 0.00 C ATOM 1026 O ASP A 64 -3.817 13.213 4.128 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.029 10.770 5.925 1.00 0.00 C ATOM 1028 CG ASP A 64 -2.520 10.662 5.958 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -1.959 9.872 5.173 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -1.888 11.388 6.750 1.00 0.00 O ATOM 0 H ASP A 64 -3.863 9.012 4.142 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.604 11.285 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.345 11.609 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.465 9.871 6.360 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.956 11.604 2.813 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.127 12.523 2.060 1.00 0.00 C ATOM 1037 C GLY A 65 -0.650 12.343 2.347 1.00 0.00 C ATOM 1038 O GLY A 65 0.194 12.948 1.683 1.00 0.00 O ATOM 0 H GLY A 65 -2.877 10.629 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.307 12.379 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.417 13.546 2.297 1.00 0.00 H new ATOM 1042 N THR A 66 -0.329 11.514 3.332 1.00 0.00 N ATOM 1043 CA THR A 66 1.059 11.265 3.691 1.00 0.00 C ATOM 1044 C THR A 66 1.793 10.532 2.573 1.00 0.00 C ATOM 1045 O THR A 66 1.409 9.430 2.181 1.00 0.00 O ATOM 1046 CB THR A 66 1.161 10.443 4.992 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.635 11.201 6.089 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.604 10.059 5.285 1.00 0.00 C ATOM 0 H THR A 66 -1.010 11.004 3.895 1.00 0.00 H new ATOM 0 HA THR A 66 1.528 12.236 3.848 1.00 0.00 H new ATOM 0 HB THR A 66 0.580 9.530 4.863 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.302 11.427 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.646 9.480 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.995 9.460 4.463 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.206 10.961 5.395 1.00 0.00 H new ATOM 1056 N VAL A 67 2.839 11.158 2.054 1.00 0.00 N ATOM 1057 CA VAL A 67 3.681 10.525 1.056 1.00 0.00 C ATOM 1058 C VAL A 67 4.542 9.460 1.721 1.00 0.00 C ATOM 1059 O VAL A 67 5.292 9.750 2.654 1.00 0.00 O ATOM 1060 CB VAL A 67 4.580 11.549 0.331 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.413 10.871 -0.747 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.743 12.671 -0.266 1.00 0.00 C ATOM 0 H VAL A 67 3.123 12.104 2.309 1.00 0.00 H new ATOM 0 HA VAL A 67 3.033 10.068 0.308 1.00 0.00 H new ATOM 0 HB VAL A 67 5.260 11.981 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.038 11.613 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.046 10.109 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.752 10.405 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.396 13.382 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.035 12.255 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.198 13.181 0.529 1.00 0.00 H new ATOM 1072 N LEU A 68 4.411 8.233 1.255 1.00 0.00 N ATOM 1073 CA LEU A 68 5.104 7.111 1.856 1.00 0.00 C ATOM 1074 C LEU A 68 6.463 6.921 1.207 1.00 0.00 C ATOM 1075 O LEU A 68 6.560 6.671 0.005 1.00 0.00 O ATOM 1076 CB LEU A 68 4.264 5.839 1.711 1.00 0.00 C ATOM 1077 CG LEU A 68 2.843 5.938 2.274 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.065 4.660 2.003 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.881 6.230 3.767 1.00 0.00 C ATOM 0 H LEU A 68 3.826 7.987 0.456 1.00 0.00 H new ATOM 0 HA LEU A 68 5.253 7.317 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.203 5.579 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.781 5.020 2.211 1.00 0.00 H new ATOM 0 HG LEU A 68 2.334 6.761 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.059 4.753 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.006 4.491 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.572 3.818 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.863 6.297 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.410 5.428 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.397 7.174 3.940 1.00 0.00 H new ATOM 1091 N LEU A 69 7.508 7.067 2.003 1.00 0.00 N ATOM 1092 CA LEU A 69 8.867 6.879 1.528 1.00 0.00 C ATOM 1093 C LEU A 69 9.520 5.718 2.264 1.00 0.00 C ATOM 1094 O LEU A 69 9.232 5.487 3.439 1.00 0.00 O ATOM 1095 CB LEU A 69 9.683 8.161 1.732 1.00 0.00 C ATOM 1096 CG LEU A 69 9.182 9.386 0.966 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.025 10.603 1.307 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.205 9.127 -0.533 1.00 0.00 C ATOM 0 H LEU A 69 7.439 7.317 2.989 1.00 0.00 H new ATOM 0 HA LEU A 69 8.839 6.650 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.695 8.399 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.714 7.966 1.437 1.00 0.00 H new ATOM 0 HG LEU A 69 8.152 9.581 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.657 11.467 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.961 10.802 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.063 10.414 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.845 10.010 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.225 8.906 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.562 8.278 -0.766 1.00 0.00 H new ATOM 1110 N PRO A 70 10.415 4.974 1.591 1.00 0.00 N ATOM 1111 CA PRO A 70 11.098 3.816 2.184 1.00 0.00 C ATOM 1112 C PRO A 70 12.057 4.220 3.302 1.00 0.00 C ATOM 1113 O PRO A 70 12.648 3.369 3.970 1.00 0.00 O ATOM 1114 CB PRO A 70 11.876 3.203 1.009 1.00 0.00 C ATOM 1115 CG PRO A 70 11.307 3.832 -0.217 1.00 0.00 C ATOM 1116 CD PRO A 70 10.830 5.192 0.199 1.00 0.00 C ATOM 0 HA PRO A 70 10.391 3.126 2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.943 3.407 1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.760 2.119 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.059 3.906 -1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.486 3.236 -0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.620 5.939 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.003 5.539 -0.421 1.00 0.00 H new ATOM 1124 N ASN A 71 12.213 5.524 3.491 1.00 0.00 N ATOM 1125 CA ASN A 71 13.064 6.056 4.545 1.00 0.00 C ATOM 1126 C ASN A 71 12.383 5.910 5.901 1.00 0.00 C ATOM 1127 O ASN A 71 13.039 5.737 6.926 1.00 0.00 O ATOM 1128 CB ASN A 71 13.377 7.532 4.278 1.00 0.00 C ATOM 1129 CG ASN A 71 14.332 8.125 5.300 1.00 0.00 C ATOM 1130 OD1 ASN A 71 15.211 7.436 5.823 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.169 9.406 5.592 1.00 0.00 N ATOM 0 H ASN A 71 11.757 6.237 2.922 1.00 0.00 H new ATOM 0 HA ASN A 71 13.996 5.491 4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.809 7.633 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.448 8.102 4.282 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.783 9.856 6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.430 9.943 5.138 1.00 0.00 H new ATOM 1138 N ASP A 72 11.058 5.946 5.896 1.00 0.00 N ATOM 1139 CA ASP A 72 10.302 5.932 7.139 1.00 0.00 C ATOM 1140 C ASP A 72 9.251 4.835 7.154 1.00 0.00 C ATOM 1141 O ASP A 72 9.023 4.146 6.160 1.00 0.00 O ATOM 1142 CB ASP A 72 9.618 7.281 7.377 1.00 0.00 C ATOM 1143 CG ASP A 72 10.556 8.334 7.925 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.741 8.383 9.159 1.00 0.00 O ATOM 1145 OD2 ASP A 72 11.098 9.122 7.131 1.00 0.00 O ATOM 0 H ASP A 72 10.488 5.985 5.051 1.00 0.00 H new ATOM 0 HA ASP A 72 11.019 5.737 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.192 7.636 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.790 7.144 8.072 1.00 0.00 H new ATOM 1150 N LEU A 73 8.626 4.685 8.307 1.00 0.00 N ATOM 1151 CA LEU A 73 7.518 3.768 8.490 1.00 0.00 C ATOM 1152 C LEU A 73 6.357 4.541 9.102 1.00 0.00 C ATOM 1153 O LEU A 73 6.548 5.293 10.056 1.00 0.00 O ATOM 1154 CB LEU A 73 7.952 2.589 9.379 1.00 0.00 C ATOM 1155 CG LEU A 73 6.841 1.625 9.812 1.00 0.00 C ATOM 1156 CD1 LEU A 73 7.398 0.219 9.979 1.00 0.00 C ATOM 1157 CD2 LEU A 73 6.212 2.089 11.119 1.00 0.00 C ATOM 0 H LEU A 73 8.876 5.201 9.150 1.00 0.00 H new ATOM 0 HA LEU A 73 7.200 3.349 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.712 2.019 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.426 2.991 10.275 1.00 0.00 H new ATOM 0 HG LEU A 73 6.075 1.614 9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.598 -0.455 10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.816 -0.122 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.180 0.225 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.426 1.393 11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.974 2.123 11.898 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.786 3.083 10.985 1.00 0.00 H new ATOM 1169 N TYR A 74 5.166 4.376 8.552 1.00 0.00 N ATOM 1170 CA TYR A 74 4.031 5.191 8.967 1.00 0.00 C ATOM 1171 C TYR A 74 2.916 4.334 9.557 1.00 0.00 C ATOM 1172 O TYR A 74 2.774 3.163 9.204 1.00 0.00 O ATOM 1173 CB TYR A 74 3.521 6.016 7.781 1.00 0.00 C ATOM 1174 CG TYR A 74 4.542 7.010 7.268 1.00 0.00 C ATOM 1175 CD1 TYR A 74 4.660 8.269 7.842 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.393 6.687 6.217 1.00 0.00 C ATOM 1177 CE1 TYR A 74 5.597 9.178 7.386 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.331 7.590 5.753 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.429 8.835 6.340 1.00 0.00 C ATOM 1180 OH TYR A 74 7.368 9.737 5.889 1.00 0.00 O ATOM 0 H TYR A 74 4.958 3.693 7.824 1.00 0.00 H new ATOM 0 HA TYR A 74 4.364 5.871 9.751 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.239 5.343 6.972 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.619 6.551 8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.009 8.543 8.659 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.320 5.714 5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.677 10.152 7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.984 7.323 4.935 1.00 0.00 H new ATOM 0 HH TYR A 74 7.873 9.341 5.149 1.00 0.00 H new ATOM 1190 N PRO A 75 2.132 4.901 10.488 1.00 0.00 N ATOM 1191 CA PRO A 75 1.029 4.208 11.137 1.00 0.00 C ATOM 1192 C PRO A 75 -0.294 4.353 10.382 1.00 0.00 C ATOM 1193 O PRO A 75 -0.686 5.455 9.991 1.00 0.00 O ATOM 1194 CB PRO A 75 0.936 4.893 12.508 1.00 0.00 C ATOM 1195 CG PRO A 75 1.835 6.096 12.448 1.00 0.00 C ATOM 1196 CD PRO A 75 2.269 6.258 11.016 1.00 0.00 C ATOM 0 HA PRO A 75 1.206 3.134 11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.091 5.187 12.726 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.248 4.215 13.302 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.310 6.986 12.794 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.699 5.963 13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.640 6.968 10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.294 6.621 10.941 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.978 3.233 10.197 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.278 3.215 9.541 1.00 0.00 C ATOM 1206 C LEU A 76 -3.372 3.618 10.523 1.00 0.00 C ATOM 1207 O LEU A 76 -3.475 3.054 11.614 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.566 1.823 8.974 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.611 1.354 7.874 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.870 -0.102 7.524 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.757 2.229 6.639 1.00 0.00 C ATOM 0 H LEU A 76 -0.649 2.315 10.496 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.263 3.932 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.534 1.102 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.582 1.813 8.579 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.590 1.441 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.181 -0.416 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.720 -0.721 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.895 -0.215 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.072 1.883 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.781 2.169 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.523 3.262 6.896 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.200 4.604 10.146 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.239 5.147 11.028 1.00 0.00 C ATOM 1225 C PRO A 77 -6.466 4.241 11.179 1.00 0.00 C ATOM 1226 O PRO A 77 -7.048 4.153 12.263 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.624 6.459 10.341 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.333 6.238 8.895 1.00 0.00 C ATOM 1229 CD PRO A 77 -4.165 5.288 8.837 1.00 0.00 C ATOM 0 HA PRO A 77 -4.870 5.258 12.048 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.676 6.694 10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.047 7.295 10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.200 5.819 8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.094 7.179 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.265 4.581 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.225 5.819 8.688 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.858 3.563 10.106 1.00 0.00 N ATOM 1238 CA GLY A 78 -8.088 2.794 10.143 1.00 0.00 C ATOM 1239 C GLY A 78 -8.008 1.500 9.358 1.00 0.00 C ATOM 1240 O GLY A 78 -6.997 1.216 8.716 1.00 0.00 O ATOM 0 H GLY A 78 -6.353 3.532 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.336 2.567 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.901 3.402 9.746 1.00 0.00 H new ATOM 1244 N GLU A 79 -9.089 0.725 9.411 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.167 -0.564 8.726 1.00 0.00 C ATOM 1246 C GLU A 79 -9.188 -0.358 7.220 1.00 0.00 C ATOM 1247 O GLU A 79 -8.619 -1.145 6.463 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.436 -1.336 9.125 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.802 -1.247 10.598 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.433 0.082 10.964 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -12.548 0.369 10.485 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -10.801 0.861 11.705 1.00 0.00 O ATOM 0 H GLU A 79 -9.933 0.971 9.928 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.289 -1.140 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.272 -0.962 8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.304 -2.385 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.492 -2.053 10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.906 -1.398 11.201 1.00 0.00 H new ATOM 1259 N THR A 80 -9.869 0.696 6.797 1.00 0.00 N ATOM 1260 CA THR A 80 -9.987 1.016 5.391 1.00 0.00 C ATOM 1261 C THR A 80 -8.964 2.081 4.999 1.00 0.00 C ATOM 1262 O THR A 80 -9.195 3.283 5.140 1.00 0.00 O ATOM 1263 CB THR A 80 -11.424 1.479 5.034 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.482 1.961 3.684 1.00 0.00 O ATOM 1265 CG2 THR A 80 -11.916 2.560 5.989 1.00 0.00 C ATOM 0 H THR A 80 -10.351 1.347 7.417 1.00 0.00 H new ATOM 0 HA THR A 80 -9.782 0.109 4.823 1.00 0.00 H new ATOM 0 HB THR A 80 -12.078 0.612 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.922 2.837 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.926 2.861 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.922 2.171 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.252 3.423 5.935 1.00 0.00 H new ATOM 1273 N PHE A 81 -7.816 1.636 4.533 1.00 0.00 N ATOM 1274 CA PHE A 81 -6.779 2.555 4.112 1.00 0.00 C ATOM 1275 C PHE A 81 -6.574 2.457 2.610 1.00 0.00 C ATOM 1276 O PHE A 81 -6.473 1.367 2.047 1.00 0.00 O ATOM 1277 CB PHE A 81 -5.469 2.316 4.882 1.00 0.00 C ATOM 1278 CG PHE A 81 -4.998 0.885 4.909 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.544 -0.023 5.803 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -3.995 0.455 4.055 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.103 -1.332 5.844 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.552 -0.852 4.090 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.105 -1.748 4.986 1.00 0.00 C ATOM 0 H PHE A 81 -7.578 0.649 4.436 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.100 3.570 4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.687 2.932 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.601 2.659 5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.325 0.297 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.555 1.150 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.538 -2.028 6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.772 -1.175 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.757 -2.770 5.014 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.545 3.605 1.958 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.423 3.655 0.515 1.00 0.00 C ATOM 1295 C ARG A 82 -5.059 4.203 0.149 1.00 0.00 C ATOM 1296 O ARG A 82 -4.659 5.266 0.625 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.532 4.528 -0.084 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.912 4.230 0.486 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.003 5.043 -0.199 1.00 0.00 C ATOM 1300 NE ARG A 82 -9.679 6.467 -0.270 1.00 0.00 N ATOM 1301 CZ ARG A 82 -10.063 7.376 0.629 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.723 7.011 1.722 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -9.768 8.656 0.443 1.00 0.00 N ATOM 0 H ARG A 82 -6.605 4.518 2.408 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.527 2.650 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.293 5.577 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.554 4.383 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.128 3.168 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.917 4.446 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.159 4.659 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.941 4.914 0.341 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.121 6.788 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.941 6.027 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.012 7.714 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.248 8.944 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.061 9.352 1.129 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.335 3.457 -0.661 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.002 3.845 -1.068 1.00 0.00 C ATOM 1319 C LEU A 83 -3.032 4.409 -2.476 1.00 0.00 C ATOM 1320 O LEU A 83 -3.361 3.710 -3.433 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.058 2.646 -0.984 1.00 0.00 C ATOM 1322 CG LEU A 83 -1.965 2.000 0.401 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -0.988 0.836 0.381 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.551 3.029 1.445 1.00 0.00 C ATOM 0 H LEU A 83 -4.653 2.570 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.634 4.619 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.386 1.892 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.061 2.964 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.950 1.618 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.934 0.389 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.327 0.088 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.000 1.195 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.490 2.551 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.577 3.443 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.289 3.831 1.478 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.706 5.681 -2.590 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.715 6.362 -3.869 1.00 0.00 C ATOM 1338 C TYR A 84 -1.357 6.239 -4.533 1.00 0.00 C ATOM 1339 O TYR A 84 -0.410 6.939 -4.174 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.094 7.832 -3.688 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.525 8.025 -3.246 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -4.872 7.994 -1.901 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.532 8.221 -4.179 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.184 8.156 -1.501 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.844 8.380 -3.788 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.165 8.347 -2.448 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.474 8.495 -2.056 1.00 0.00 O ATOM 0 H TYR A 84 -2.429 6.269 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.461 5.894 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.429 8.285 -2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.936 8.360 -4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.104 7.841 -1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.284 8.250 -5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.439 8.133 -0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.617 8.530 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.057 8.000 -2.668 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.259 5.323 -5.481 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.010 5.088 -6.174 1.00 0.00 C ATOM 1359 C TYR A 85 0.005 5.790 -7.525 1.00 0.00 C ATOM 1360 O TYR A 85 -0.724 5.416 -8.441 1.00 0.00 O ATOM 1361 CB TYR A 85 0.240 3.587 -6.362 1.00 0.00 C ATOM 1362 CG TYR A 85 1.467 3.299 -7.195 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.741 3.443 -6.659 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.351 2.920 -8.525 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.864 3.212 -7.427 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.469 2.695 -9.300 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.723 2.843 -8.746 1.00 0.00 C ATOM 1368 OH TYR A 85 4.838 2.639 -9.521 1.00 0.00 O ATOM 0 H TYR A 85 -2.031 4.731 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 85 0.790 5.500 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.351 3.116 -5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.631 3.135 -6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.854 3.740 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.370 2.799 -8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.848 3.320 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.363 2.405 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 85 5.523 2.177 -8.994 1.00 0.00 H new ATOM 1378 N THR A 86 0.826 6.817 -7.629 1.00 0.00 N ATOM 1379 CA THR A 86 1.061 7.482 -8.893 1.00 0.00 C ATOM 1380 C THR A 86 2.277 6.855 -9.576 1.00 0.00 C ATOM 1381 O THR A 86 3.399 6.944 -9.068 1.00 0.00 O ATOM 1382 CB THR A 86 1.290 8.996 -8.690 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.188 9.565 -7.964 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.443 9.711 -10.024 1.00 0.00 C ATOM 0 H THR A 86 1.345 7.211 -6.844 1.00 0.00 H new ATOM 0 HA THR A 86 0.180 7.357 -9.522 1.00 0.00 H new ATOM 0 HB THR A 86 2.211 9.125 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.616 9.547 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.603 10.775 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.297 9.299 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.539 9.572 -10.617 1.00 0.00 H new ATOM 1392 N SER A 87 2.047 6.202 -10.705 1.00 0.00 N ATOM 1393 CA SER A 87 3.099 5.484 -11.409 1.00 0.00 C ATOM 1394 C SER A 87 4.162 6.448 -11.930 1.00 0.00 C ATOM 1395 O SER A 87 3.842 7.513 -12.465 1.00 0.00 O ATOM 1396 CB SER A 87 2.494 4.689 -12.566 1.00 0.00 C ATOM 1397 OG SER A 87 1.432 3.867 -12.113 1.00 0.00 O ATOM 0 H SER A 87 1.134 6.155 -11.156 1.00 0.00 H new ATOM 0 HA SER A 87 3.579 4.797 -10.711 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.128 5.374 -13.331 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.264 4.073 -13.031 1.00 0.00 H new ATOM 0 HG SER A 87 1.528 3.710 -11.150 1.00 0.00 H new ATOM 1403 N ALA A 88 5.425 6.083 -11.748 1.00 0.00 N ATOM 1404 CA ALA A 88 6.529 6.914 -12.198 1.00 0.00 C ATOM 1405 C ALA A 88 7.460 6.131 -13.115 1.00 0.00 C ATOM 1406 O ALA A 88 8.513 6.626 -13.515 1.00 0.00 O ATOM 1407 CB ALA A 88 7.294 7.462 -11.003 1.00 0.00 C ATOM 0 H ALA A 88 5.708 5.216 -11.291 1.00 0.00 H new ATOM 0 HA ALA A 88 6.121 7.750 -12.766 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.119 8.083 -11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.624 8.062 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.688 6.635 -10.413 1.00 0.00 H new ATOM 1413 N SER A 89 7.060 4.917 -13.460 1.00 0.00 N ATOM 1414 CA SER A 89 7.862 4.069 -14.324 1.00 0.00 C ATOM 1415 C SER A 89 6.970 3.326 -15.315 1.00 0.00 C ATOM 1416 O SER A 89 5.745 3.338 -15.184 1.00 0.00 O ATOM 1417 CB SER A 89 8.683 3.085 -13.484 1.00 0.00 C ATOM 1418 OG SER A 89 7.877 2.450 -12.508 1.00 0.00 O ATOM 0 H SER A 89 6.182 4.497 -13.153 1.00 0.00 H new ATOM 0 HA SER A 89 8.552 4.694 -14.891 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.132 2.334 -14.134 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.501 3.614 -12.996 1.00 0.00 H new ATOM 0 HG SER A 89 7.803 3.027 -11.719 1.00 0.00 H new ATOM 1424 N THR A 90 7.584 2.707 -16.313 1.00 0.00 N ATOM 1425 CA THR A 90 6.845 1.963 -17.321 1.00 0.00 C ATOM 1426 C THR A 90 7.368 0.531 -17.439 1.00 0.00 C ATOM 1427 O THR A 90 6.641 -0.368 -17.865 1.00 0.00 O ATOM 1428 CB THR A 90 6.911 2.664 -18.699 1.00 0.00 C ATOM 1429 OG1 THR A 90 6.146 1.938 -19.673 1.00 0.00 O ATOM 1430 CG2 THR A 90 8.348 2.803 -19.178 1.00 0.00 C ATOM 0 H THR A 90 8.595 2.706 -16.446 1.00 0.00 H new ATOM 0 HA THR A 90 5.804 1.930 -17.001 1.00 0.00 H new ATOM 0 HB THR A 90 6.487 3.661 -18.581 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.198 2.396 -20.538 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.362 3.299 -20.148 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.915 3.395 -18.460 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.798 1.815 -19.269 1.00 0.00 H new ATOM 1438 N ASP A 91 8.617 0.312 -17.041 1.00 0.00 N ATOM 1439 CA ASP A 91 9.217 -1.015 -17.129 1.00 0.00 C ATOM 1440 C ASP A 91 8.720 -1.890 -15.982 1.00 0.00 C ATOM 1441 O ASP A 91 8.141 -1.381 -15.022 1.00 0.00 O ATOM 1442 CB ASP A 91 10.749 -0.932 -17.121 1.00 0.00 C ATOM 1443 CG ASP A 91 11.331 -0.620 -15.755 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.200 0.531 -15.290 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.950 -1.522 -15.152 1.00 0.00 O ATOM 0 H ASP A 91 9.230 1.031 -16.657 1.00 0.00 H new ATOM 0 HA ASP A 91 8.915 -1.466 -18.074 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.158 -1.879 -17.474 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.067 -0.165 -17.827 1.00 0.00 H new ATOM 1450 N GLN A 92 8.945 -3.197 -16.094 1.00 0.00 N ATOM 1451 CA GLN A 92 8.425 -4.162 -15.124 1.00 0.00 C ATOM 1452 C GLN A 92 8.884 -3.822 -13.708 1.00 0.00 C ATOM 1453 O GLN A 92 10.068 -3.928 -13.386 1.00 0.00 O ATOM 1454 CB GLN A 92 8.891 -5.577 -15.479 1.00 0.00 C ATOM 1455 CG GLN A 92 8.208 -6.668 -14.668 1.00 0.00 C ATOM 1456 CD GLN A 92 8.858 -8.028 -14.843 1.00 0.00 C ATOM 1457 OE1 GLN A 92 9.475 -8.313 -15.869 1.00 0.00 O ATOM 1458 NE2 GLN A 92 8.708 -8.886 -13.846 1.00 0.00 N ATOM 0 H GLN A 92 9.487 -3.615 -16.850 1.00 0.00 H new ATOM 0 HA GLN A 92 7.337 -4.114 -15.161 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.707 -5.755 -16.538 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.968 -5.644 -15.327 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.227 -6.395 -13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.160 -6.731 -14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.190 -8.612 -13.011 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.111 -9.821 -13.913 1.00 0.00 H new ATOM 1467 N GLN A 93 7.946 -3.420 -12.867 1.00 0.00 N ATOM 1468 CA GLN A 93 8.272 -3.062 -11.500 1.00 0.00 C ATOM 1469 C GLN A 93 7.537 -3.956 -10.514 1.00 0.00 C ATOM 1470 O GLN A 93 6.451 -4.463 -10.798 1.00 0.00 O ATOM 1471 CB GLN A 93 7.943 -1.595 -11.225 1.00 0.00 C ATOM 1472 CG GLN A 93 6.485 -1.232 -11.435 1.00 0.00 C ATOM 1473 CD GLN A 93 6.156 0.142 -10.895 1.00 0.00 C ATOM 1474 OE1 GLN A 93 6.765 0.605 -9.927 1.00 0.00 O ATOM 1475 NE2 GLN A 93 5.200 0.810 -11.513 1.00 0.00 N ATOM 0 H GLN A 93 6.958 -3.334 -13.106 1.00 0.00 H new ATOM 0 HA GLN A 93 9.344 -3.207 -11.367 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.220 -1.359 -10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.558 -0.969 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.253 -1.268 -12.499 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.853 -1.974 -10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.720 0.393 -12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.942 1.744 -11.193 1.00 0.00 H new ATOM 1484 N THR A 94 8.144 -4.152 -9.361 1.00 0.00 N ATOM 1485 CA THR A 94 7.573 -4.989 -8.325 1.00 0.00 C ATOM 1486 C THR A 94 7.591 -4.259 -6.987 1.00 0.00 C ATOM 1487 O THR A 94 8.655 -3.913 -6.476 1.00 0.00 O ATOM 1488 CB THR A 94 8.350 -6.316 -8.219 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.357 -6.968 -9.497 1.00 0.00 O ATOM 1490 CG2 THR A 94 7.733 -7.241 -7.182 1.00 0.00 C ATOM 0 H THR A 94 9.043 -3.738 -9.116 1.00 0.00 H new ATOM 0 HA THR A 94 6.539 -5.211 -8.588 1.00 0.00 H new ATOM 0 HB THR A 94 9.369 -6.089 -7.907 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.852 -7.811 -9.431 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.306 -8.167 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.746 -6.755 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.704 -7.465 -7.461 1.00 0.00 H new ATOM 1498 N VAL A 95 6.411 -4.000 -6.447 1.00 0.00 N ATOM 1499 CA VAL A 95 6.288 -3.278 -5.189 1.00 0.00 C ATOM 1500 C VAL A 95 5.655 -4.168 -4.128 1.00 0.00 C ATOM 1501 O VAL A 95 4.462 -4.468 -4.189 1.00 0.00 O ATOM 1502 CB VAL A 95 5.426 -2.004 -5.351 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.427 -1.180 -4.074 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.902 -1.172 -6.530 1.00 0.00 C ATOM 0 H VAL A 95 5.522 -4.280 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 95 7.293 -2.988 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 95 4.401 -2.317 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.814 -0.290 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.020 -1.775 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.448 -0.883 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.279 -0.282 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.939 -0.875 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.830 -1.761 -7.444 1.00 0.00 H new ATOM 1514 N ASP A 96 6.452 -4.613 -3.175 1.00 0.00 N ATOM 1515 CA ASP A 96 5.938 -5.420 -2.082 1.00 0.00 C ATOM 1516 C ASP A 96 5.815 -4.586 -0.815 1.00 0.00 C ATOM 1517 O ASP A 96 6.804 -4.121 -0.248 1.00 0.00 O ATOM 1518 CB ASP A 96 6.793 -6.680 -1.853 1.00 0.00 C ATOM 1519 CG ASP A 96 8.281 -6.418 -1.679 1.00 0.00 C ATOM 1520 OD1 ASP A 96 8.878 -5.736 -2.532 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.869 -6.957 -0.714 1.00 0.00 O ATOM 0 H ASP A 96 7.455 -4.431 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 96 4.941 -5.763 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.423 -7.197 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.654 -7.355 -2.697 1.00 0.00 H new ATOM 1526 N VAL A 97 4.577 -4.380 -0.393 1.00 0.00 N ATOM 1527 CA VAL A 97 4.282 -3.545 0.761 1.00 0.00 C ATOM 1528 C VAL A 97 4.166 -4.393 2.022 1.00 0.00 C ATOM 1529 O VAL A 97 3.531 -5.445 2.014 1.00 0.00 O ATOM 1530 CB VAL A 97 2.970 -2.754 0.556 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.729 -1.797 1.712 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.990 -2.005 -0.769 1.00 0.00 C ATOM 0 H VAL A 97 3.753 -4.784 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 97 5.105 -2.840 0.873 1.00 0.00 H new ATOM 0 HB VAL A 97 2.147 -3.468 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.800 -1.252 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.657 -2.361 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.557 -1.091 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.056 -1.456 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.826 -1.306 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.102 -2.716 -1.587 1.00 0.00 H new ATOM 1542 N TYR A 98 4.784 -3.931 3.098 1.00 0.00 N ATOM 1543 CA TYR A 98 4.787 -4.658 4.356 1.00 0.00 C ATOM 1544 C TYR A 98 3.833 -4.015 5.350 1.00 0.00 C ATOM 1545 O TYR A 98 3.974 -2.836 5.685 1.00 0.00 O ATOM 1546 CB TYR A 98 6.202 -4.701 4.944 1.00 0.00 C ATOM 1547 CG TYR A 98 7.187 -5.461 4.086 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.639 -4.936 2.884 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.655 -6.713 4.470 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.526 -5.628 2.091 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.544 -7.415 3.678 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.975 -6.865 2.490 1.00 0.00 C ATOM 1553 OH TYR A 98 9.845 -7.562 1.685 1.00 0.00 O ATOM 0 H TYR A 98 5.294 -3.048 3.124 1.00 0.00 H new ATOM 0 HA TYR A 98 4.453 -5.677 4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.562 -3.681 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.163 -5.160 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.288 -3.966 2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.319 -7.143 5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.868 -5.201 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.898 -8.387 3.988 1.00 0.00 H new ATOM 0 HH TYR A 98 9.725 -7.282 0.754 1.00 0.00 H new ATOM 1563 N PHE A 99 2.862 -4.790 5.806 1.00 0.00 N ATOM 1564 CA PHE A 99 1.911 -4.319 6.798 1.00 0.00 C ATOM 1565 C PHE A 99 2.158 -5.019 8.127 1.00 0.00 C ATOM 1566 O PHE A 99 2.206 -6.249 8.191 1.00 0.00 O ATOM 1567 CB PHE A 99 0.476 -4.573 6.331 1.00 0.00 C ATOM 1568 CG PHE A 99 0.112 -3.856 5.059 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.006 -2.476 5.039 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.123 -4.562 3.888 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.350 -1.814 3.878 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.468 -3.902 2.722 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.582 -2.527 2.719 1.00 0.00 C ATOM 0 H PHE A 99 2.712 -5.752 5.503 1.00 0.00 H new ATOM 0 HA PHE A 99 2.048 -3.245 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.336 -5.644 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.212 -4.266 7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.173 -1.912 5.942 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.036 -5.638 3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.438 -0.738 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.648 -4.462 1.816 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.852 -2.009 1.811 1.00 0.00 H new ATOM 1583 N GLN A 100 2.329 -4.235 9.176 1.00 0.00 N ATOM 1584 CA GLN A 100 2.604 -4.769 10.500 1.00 0.00 C ATOM 1585 C GLN A 100 1.545 -4.285 11.484 1.00 0.00 C ATOM 1586 O GLN A 100 0.923 -3.246 11.267 1.00 0.00 O ATOM 1587 CB GLN A 100 4.001 -4.331 10.959 1.00 0.00 C ATOM 1588 CG GLN A 100 4.431 -4.917 12.298 1.00 0.00 C ATOM 1589 CD GLN A 100 5.820 -4.475 12.721 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.211 -3.278 12.315 1.00 0.00 O flip ATOM 1591 NE2 GLN A 100 6.531 -5.199 13.417 1.00 0.00 N flip ATOM 0 H GLN A 100 2.282 -3.217 9.137 1.00 0.00 H new ATOM 0 HA GLN A 100 2.574 -5.858 10.462 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.728 -4.619 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.024 -3.243 11.027 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.713 -4.623 13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.405 -6.005 12.237 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.193 -6.116 13.710 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.458 -4.882 13.701 1.00 0.00 H new ATOM 1600 N ASP A 101 1.326 -5.037 12.550 1.00 0.00 N ATOM 1601 CA ASP A 101 0.379 -4.623 13.581 1.00 0.00 C ATOM 1602 C ASP A 101 1.039 -4.606 14.955 1.00 0.00 C ATOM 1603 O ASP A 101 2.213 -4.956 15.098 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.871 -5.519 13.598 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.579 -6.984 13.879 1.00 0.00 C ATOM 1606 OD1 ASP A 101 0.360 -7.278 14.651 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.306 -7.843 13.350 1.00 0.00 O ATOM 0 H ASP A 101 1.785 -5.931 12.727 1.00 0.00 H new ATOM 0 HA ASP A 101 0.060 -3.610 13.337 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.562 -5.146 14.353 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.376 -5.438 12.636 1.00 0.00 H new ATOM 1612 N SER A 102 0.275 -4.208 15.965 1.00 0.00 N ATOM 1613 CA SER A 102 0.792 -4.096 17.324 1.00 0.00 C ATOM 1614 C SER A 102 0.906 -5.462 17.997 1.00 0.00 C ATOM 1615 O SER A 102 1.469 -5.580 19.086 1.00 0.00 O ATOM 1616 CB SER A 102 -0.107 -3.177 18.149 1.00 0.00 C ATOM 1617 OG SER A 102 -0.186 -1.888 17.561 1.00 0.00 O ATOM 0 H SER A 102 -0.709 -3.956 15.868 1.00 0.00 H new ATOM 0 HA SER A 102 1.794 -3.670 17.268 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.105 -3.609 18.224 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.282 -3.095 19.164 1.00 0.00 H new ATOM 0 HG SER A 102 -0.034 -1.959 16.595 1.00 0.00 H new ATOM 1623 N PHE A 103 0.389 -6.492 17.340 1.00 0.00 N ATOM 1624 CA PHE A 103 0.456 -7.845 17.872 1.00 0.00 C ATOM 1625 C PHE A 103 1.778 -8.479 17.461 1.00 0.00 C ATOM 1626 O PHE A 103 2.189 -9.511 17.995 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.730 -8.676 17.363 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.804 -10.066 17.942 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -1.133 -10.259 19.274 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -0.549 -11.176 17.151 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -1.207 -11.533 19.806 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -0.621 -12.452 17.678 1.00 0.00 C ATOM 1633 CZ PHE A 103 -0.949 -12.631 19.007 1.00 0.00 C ATOM 0 H PHE A 103 -0.081 -6.416 16.438 1.00 0.00 H new ATOM 0 HA PHE A 103 0.400 -7.813 18.960 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.655 -8.148 17.595 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.668 -8.750 16.277 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.334 -9.405 19.904 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.291 -11.042 16.111 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.466 -11.670 20.845 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.421 -13.308 17.051 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.004 -13.627 19.421 1.00 0.00 H new ATOM 1643 N GLY A 104 2.441 -7.847 16.503 1.00 0.00 N ATOM 1644 CA GLY A 104 3.734 -8.315 16.064 1.00 0.00 C ATOM 1645 C GLY A 104 3.648 -9.086 14.768 1.00 0.00 C ATOM 1646 O GLY A 104 4.588 -9.789 14.392 1.00 0.00 O ATOM 0 H GLY A 104 2.102 -7.014 16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.403 -7.464 15.936 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.170 -8.950 16.835 1.00 0.00 H new ATOM 1650 N GLN A 105 2.520 -8.965 14.086 1.00 0.00 N ATOM 1651 CA GLN A 105 2.327 -9.642 12.816 1.00 0.00 C ATOM 1652 C GLN A 105 2.873 -8.791 11.686 1.00 0.00 C ATOM 1653 O GLN A 105 2.794 -7.565 11.726 1.00 0.00 O ATOM 1654 CB GLN A 105 0.848 -9.922 12.568 1.00 0.00 C ATOM 1655 CG GLN A 105 0.171 -10.744 13.652 1.00 0.00 C ATOM 1656 CD GLN A 105 0.655 -12.177 13.709 1.00 0.00 C ATOM 1657 OE1 GLN A 105 1.809 -12.480 13.412 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.236 -13.077 14.089 1.00 0.00 N ATOM 0 H GLN A 105 1.725 -8.404 14.392 1.00 0.00 H new ATOM 0 HA GLN A 105 2.863 -10.591 12.853 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.323 -8.972 12.469 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.745 -10.444 11.617 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.345 -10.271 14.618 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.906 -10.738 13.483 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.184 -12.787 14.328 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.025 -14.062 14.144 1.00 0.00 H new ATOM 1667 N LEU A 106 3.438 -9.443 10.688 1.00 0.00 N ATOM 1668 CA LEU A 106 3.957 -8.748 9.529 1.00 0.00 C ATOM 1669 C LEU A 106 3.559 -9.491 8.262 1.00 0.00 C ATOM 1670 O LEU A 106 3.959 -10.632 8.046 1.00 0.00 O ATOM 1671 CB LEU A 106 5.477 -8.619 9.637 1.00 0.00 C ATOM 1672 CG LEU A 106 6.157 -7.832 8.515 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.522 -6.459 8.353 1.00 0.00 C ATOM 1674 CD2 LEU A 106 7.640 -7.687 8.804 1.00 0.00 C ATOM 0 H LEU A 106 3.549 -10.457 10.658 1.00 0.00 H new ATOM 0 HA LEU A 106 3.533 -7.745 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.716 -8.142 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.907 -9.620 9.666 1.00 0.00 H new ATOM 0 HG LEU A 106 6.026 -8.383 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.023 -5.919 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.466 -6.573 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.622 -5.900 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.114 -7.125 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.777 -7.157 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.095 -8.675 8.874 1.00 0.00 H new ATOM 1686 N GLN A 107 2.754 -8.839 7.441 1.00 0.00 N ATOM 1687 CA GLN A 107 2.239 -9.444 6.222 1.00 0.00 C ATOM 1688 C GLN A 107 2.559 -8.558 5.026 1.00 0.00 C ATOM 1689 O GLN A 107 2.228 -7.373 5.020 1.00 0.00 O ATOM 1690 CB GLN A 107 0.723 -9.654 6.354 1.00 0.00 C ATOM 1691 CG GLN A 107 0.066 -10.282 5.136 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.410 -10.577 5.359 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -1.776 -10.887 6.595 1.00 0.00 O flip ATOM 1694 NE2 GLN A 107 -2.213 -10.535 4.428 1.00 0.00 N flip ATOM 0 H GLN A 107 2.440 -7.881 7.598 1.00 0.00 H new ATOM 0 HA GLN A 107 2.714 -10.412 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.530 -10.286 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.251 -8.691 6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.175 -9.613 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.584 -11.207 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.894 -10.292 3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.198 -10.743 4.594 1.00 0.00 H new ATOM 1703 N GLN A 108 3.222 -9.118 4.025 1.00 0.00 N ATOM 1704 CA GLN A 108 3.600 -8.345 2.853 1.00 0.00 C ATOM 1705 C GLN A 108 2.714 -8.692 1.665 1.00 0.00 C ATOM 1706 O GLN A 108 2.327 -9.845 1.475 1.00 0.00 O ATOM 1707 CB GLN A 108 5.072 -8.567 2.489 1.00 0.00 C ATOM 1708 CG GLN A 108 5.403 -9.993 2.061 1.00 0.00 C ATOM 1709 CD GLN A 108 6.814 -10.136 1.513 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.314 -9.096 0.862 1.00 0.00 O flip ATOM 1711 NE2 GLN A 108 7.444 -11.185 1.651 1.00 0.00 N flip ATOM 0 H GLN A 108 3.507 -10.097 4.001 1.00 0.00 H new ATOM 0 HA GLN A 108 3.462 -7.292 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.342 -7.886 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.690 -8.305 3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.281 -10.660 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.690 -10.313 1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.029 -11.966 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.381 -11.273 1.258 1.00 0.00 H new ATOM 1720 N LEU A 109 2.389 -7.680 0.880 1.00 0.00 N ATOM 1721 CA LEU A 109 1.610 -7.867 -0.330 1.00 0.00 C ATOM 1722 C LEU A 109 2.410 -7.382 -1.531 1.00 0.00 C ATOM 1723 O LEU A 109 2.780 -6.211 -1.612 1.00 0.00 O ATOM 1724 CB LEU A 109 0.279 -7.117 -0.230 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.633 -7.557 0.920 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.908 -6.731 0.934 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.960 -9.039 0.803 1.00 0.00 C ATOM 0 H LEU A 109 2.656 -6.712 1.062 1.00 0.00 H new ATOM 0 HA LEU A 109 1.392 -8.928 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.487 -6.053 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.261 -7.241 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.106 -7.393 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.544 -7.057 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.658 -5.678 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.438 -6.864 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.609 -9.335 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.468 -9.226 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.038 -9.619 0.841 1.00 0.00 H new ATOM 1739 N THR A 110 2.693 -8.294 -2.446 1.00 0.00 N ATOM 1740 CA THR A 110 3.538 -7.997 -3.590 1.00 0.00 C ATOM 1741 C THR A 110 2.701 -7.611 -4.809 1.00 0.00 C ATOM 1742 O THR A 110 1.924 -8.416 -5.321 1.00 0.00 O ATOM 1743 CB THR A 110 4.416 -9.215 -3.930 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.022 -9.715 -2.729 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.500 -8.848 -4.930 1.00 0.00 C ATOM 0 H THR A 110 2.347 -9.253 -2.418 1.00 0.00 H new ATOM 0 HA THR A 110 4.174 -7.152 -3.327 1.00 0.00 H new ATOM 0 HB THR A 110 3.783 -9.981 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.580 -10.492 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.104 -9.728 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.040 -8.484 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.135 -8.068 -4.509 1.00 0.00 H new ATOM 1753 N PHE A 111 2.857 -6.371 -5.262 1.00 0.00 N ATOM 1754 CA PHE A 111 2.118 -5.873 -6.414 1.00 0.00 C ATOM 1755 C PHE A 111 3.041 -5.690 -7.615 1.00 0.00 C ATOM 1756 O PHE A 111 4.009 -4.931 -7.551 1.00 0.00 O ATOM 1757 CB PHE A 111 1.448 -4.535 -6.087 1.00 0.00 C ATOM 1758 CG PHE A 111 0.523 -4.582 -4.905 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.761 -5.087 -5.033 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.935 -4.110 -3.669 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.617 -5.124 -3.948 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.083 -4.144 -2.582 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.195 -4.651 -2.722 1.00 0.00 C ATOM 0 H PHE A 111 3.492 -5.690 -4.845 1.00 0.00 H new ATOM 0 HA PHE A 111 1.354 -6.611 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.222 -3.790 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.888 -4.199 -6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.097 -5.456 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.932 -3.712 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.615 -5.522 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.416 -3.775 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.862 -4.677 -1.873 1.00 0.00 H new ATOM 1773 N SER A 112 2.753 -6.398 -8.694 1.00 0.00 N ATOM 1774 CA SER A 112 3.467 -6.202 -9.946 1.00 0.00 C ATOM 1775 C SER A 112 2.719 -5.190 -10.807 1.00 0.00 C ATOM 1776 O SER A 112 1.568 -5.422 -11.185 1.00 0.00 O ATOM 1777 CB SER A 112 3.612 -7.533 -10.688 1.00 0.00 C ATOM 1778 OG SER A 112 2.346 -8.142 -10.895 1.00 0.00 O ATOM 0 H SER A 112 2.029 -7.115 -8.729 1.00 0.00 H new ATOM 0 HA SER A 112 4.465 -5.819 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.101 -7.367 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.253 -8.204 -10.116 1.00 0.00 H new ATOM 0 HG SER A 112 1.669 -7.448 -11.041 1.00 0.00 H new ATOM 1784 N PHE A 113 3.361 -4.069 -11.102 1.00 0.00 N ATOM 1785 CA PHE A 113 2.718 -2.998 -11.851 1.00 0.00 C ATOM 1786 C PHE A 113 3.293 -2.871 -13.253 1.00 0.00 C ATOM 1787 O PHE A 113 4.498 -3.043 -13.451 1.00 0.00 O ATOM 1788 CB PHE A 113 2.864 -1.659 -11.124 1.00 0.00 C ATOM 1789 CG PHE A 113 1.939 -1.486 -9.954 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.580 -1.305 -10.157 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.425 -1.490 -8.656 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.276 -1.130 -9.089 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.572 -1.317 -7.584 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.218 -1.137 -7.801 1.00 0.00 C ATOM 0 H PHE A 113 4.326 -3.877 -10.834 1.00 0.00 H new ATOM 0 HA PHE A 113 1.662 -3.255 -11.929 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.892 -1.558 -10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.686 -0.852 -11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.186 -1.301 -11.163 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.482 -1.630 -8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.333 -0.988 -9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 113 1.962 -1.322 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.451 -1.002 -6.964 1.00 0.00 H new