USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 75 ASN :FLIP amide:sc= -0.362 F(o=-2.2,f=-0.66) USER MOD Set 1.2: B 648 THR OG1 : rot -140:sc= -0.299 USER MOD Set 2.1: B 637 GLN :FLIP amide:sc= -0.924 F(o=-4.7,f=-2.4) USER MOD Set 2.2: B 641 GLN :FLIP amide:sc= -2.36! X(o=-2.6,f=-2.4!) USER MOD Set 2.3: B 656 GLN :FLIP amide:sc= 0.873 F(o=-6.6!,f=-2.4) USER MOD Set 3.1: A 66 ASN : amide:sc= -0.437 X(o=0.83,f=1.2) USER MOD Set 3.2: A 67 THR OG1 : rot 96:sc= 1.26 USER MOD Set 4.1: A 64 LYS NZ :NH3+ -146:sc= 0.321 (180deg=-0.418) USER MOD Set 4.2: B 658 GLN : amide:sc= -0.675 K(o=-0.35,f=-9.4!) USER MOD Set 5.1: A 27 HIS :FLIP no HD1:sc= -0.163 F(o=-0.79,f=-0.18) USER MOD Set 5.2: A 31 GLN :FLIP amide:sc= -0.0177 X(o=-0.38,f=-0.18) USER MOD Set 6.1: A 25 MET CE :methyl 153:sc= -4.23! (180deg=-6.97!) USER MOD Set 6.2: B 663 MET CE :methyl -119:sc= -2.21 (180deg=-4.75!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -130:sc= -0.426 USER MOD Single : A 52 GLN : amide:sc=-0.00105 X(o=-0.001,f=-0.059) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.133 F(o=-0.9,f=-0.13) USER MOD Single : A 73 GLN : amide:sc= -0.778 K(o=-0.78,f=-1.7) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= -0.0829 K(o=-0.083,f=-0.62) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 92:sc= 0.0471 USER MOD Single : B 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 673 MET CE :methyl 163:sc=-0.00949 (180deg=-0.44) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.725 -16.158 7.056 1.00 0.00 N ATOM 223 CA ALA A 17 -5.653 -15.284 7.517 1.00 0.00 C ATOM 224 C ALA A 17 -5.351 -14.196 6.492 1.00 0.00 C ATOM 225 O ALA A 17 -5.002 -13.072 6.849 1.00 0.00 O ATOM 226 CB ALA A 17 -4.401 -16.095 7.813 1.00 0.00 C ATOM 0 HA ALA A 17 -5.984 -14.799 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.609 -15.429 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.618 -16.830 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.077 -16.608 6.907 1.00 0.00 H new ATOM 232 N PHE A 18 -5.487 -14.539 5.215 1.00 0.00 N ATOM 233 CA PHE A 18 -5.228 -13.592 4.137 1.00 0.00 C ATOM 234 C PHE A 18 -6.390 -12.618 3.978 1.00 0.00 C ATOM 235 O PHE A 18 -6.192 -11.445 3.661 1.00 0.00 O ATOM 236 CB PHE A 18 -4.988 -14.338 2.822 1.00 0.00 C ATOM 237 CG PHE A 18 -4.351 -13.488 1.760 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.115 -12.610 1.008 1.00 0.00 C ATOM 239 CD2 PHE A 18 -2.990 -13.567 1.513 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.532 -11.827 0.028 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.402 -12.786 0.536 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.174 -11.915 -0.207 1.00 0.00 C ATOM 0 H PHE A 18 -5.775 -15.466 4.902 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.334 -13.023 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.352 -15.202 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.939 -14.718 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.177 -12.536 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.381 -14.247 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.138 -11.148 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.340 -12.857 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.717 -11.304 -0.971 1.00 0.00 H new ATOM 251 N ALA A 19 -7.604 -13.112 4.197 1.00 0.00 N ATOM 252 CA ALA A 19 -8.799 -12.285 4.080 1.00 0.00 C ATOM 253 C ALA A 19 -8.873 -11.264 5.210 1.00 0.00 C ATOM 254 O ALA A 19 -9.384 -10.159 5.027 1.00 0.00 O ATOM 255 CB ALA A 19 -10.046 -13.158 4.072 1.00 0.00 C ATOM 0 H ALA A 19 -7.786 -14.081 4.457 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.743 -11.741 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.931 -12.528 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.004 -13.844 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.097 -13.728 5.000 1.00 0.00 H new ATOM 261 N ALA A 20 -8.360 -11.640 6.376 1.00 0.00 N ATOM 262 CA ALA A 20 -8.367 -10.756 7.535 1.00 0.00 C ATOM 263 C ALA A 20 -7.643 -9.448 7.232 1.00 0.00 C ATOM 264 O ALA A 20 -8.180 -8.363 7.453 1.00 0.00 O ATOM 265 CB ALA A 20 -7.731 -11.447 8.731 1.00 0.00 C ATOM 0 H ALA A 20 -7.934 -12.551 6.544 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.404 -10.521 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.743 -10.775 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.292 -12.350 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.701 -11.712 8.493 1.00 0.00 H new ATOM 271 N LYS A 21 -6.420 -9.558 6.724 1.00 0.00 N ATOM 272 CA LYS A 21 -5.621 -8.385 6.389 1.00 0.00 C ATOM 273 C LYS A 21 -6.264 -7.596 5.253 1.00 0.00 C ATOM 274 O LYS A 21 -6.243 -6.365 5.252 1.00 0.00 O ATOM 275 CB LYS A 21 -4.203 -8.804 5.995 1.00 0.00 C ATOM 276 CG LYS A 21 -3.213 -8.759 7.147 1.00 0.00 C ATOM 277 CD LYS A 21 -2.497 -10.088 7.319 1.00 0.00 C ATOM 278 CE LYS A 21 -2.279 -10.417 8.788 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.270 -11.886 9.032 1.00 0.00 N ATOM 0 H LYS A 21 -5.960 -10.449 6.535 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.572 -7.745 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.231 -9.816 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.849 -8.152 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.481 -7.971 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.737 -8.505 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.081 -10.880 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.536 -10.054 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.334 -9.988 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.066 -9.955 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.119 -12.069 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.182 -12.292 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.503 -12.324 8.483 1.00 0.00 H new ATOM 289 N ALA A 22 -6.834 -8.311 4.290 1.00 0.00 N ATOM 290 CA ALA A 22 -7.485 -7.677 3.150 1.00 0.00 C ATOM 291 C ALA A 22 -8.607 -6.750 3.606 1.00 0.00 C ATOM 292 O ALA A 22 -8.711 -5.612 3.148 1.00 0.00 O ATOM 293 CB ALA A 22 -8.025 -8.732 2.196 1.00 0.00 C ATOM 0 H ALA A 22 -6.858 -9.331 4.276 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.742 -7.076 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.508 -8.244 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.204 -9.352 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.750 -9.357 2.717 1.00 0.00 H new ATOM 299 N GLY A 23 -9.447 -7.244 4.511 1.00 0.00 N ATOM 300 CA GLY A 23 -10.551 -6.447 5.013 1.00 0.00 C ATOM 301 C GLY A 23 -10.084 -5.249 5.816 1.00 0.00 C ATOM 302 O GLY A 23 -10.522 -4.124 5.578 1.00 0.00 O ATOM 0 H GLY A 23 -9.382 -8.182 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.158 -6.104 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.191 -7.071 5.636 1.00 0.00 H new ATOM 306 N LEU A 24 -9.194 -5.492 6.771 1.00 0.00 N ATOM 307 CA LEU A 24 -8.668 -4.425 7.615 1.00 0.00 C ATOM 308 C LEU A 24 -7.909 -3.396 6.783 1.00 0.00 C ATOM 309 O LEU A 24 -7.900 -2.208 7.103 1.00 0.00 O ATOM 310 CB LEU A 24 -7.749 -5.005 8.692 1.00 0.00 C ATOM 311 CG LEU A 24 -7.770 -4.296 10.046 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.639 -5.302 11.178 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.660 -3.257 10.122 1.00 0.00 C ATOM 0 H LEU A 24 -8.821 -6.418 6.980 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.510 -3.927 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.019 -6.050 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.727 -4.993 8.314 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.727 -3.785 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.656 -4.778 12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.469 -6.007 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.698 -5.843 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.690 -2.762 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.694 -3.746 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.799 -2.517 9.334 1.00 0.00 H new ATOM 324 N MET A 25 -7.275 -3.862 5.711 1.00 0.00 N ATOM 325 CA MET A 25 -6.517 -2.981 4.829 1.00 0.00 C ATOM 326 C MET A 25 -7.374 -1.808 4.364 1.00 0.00 C ATOM 327 O MET A 25 -7.033 -0.648 4.598 1.00 0.00 O ATOM 328 CB MET A 25 -5.998 -3.760 3.620 1.00 0.00 C ATOM 329 CG MET A 25 -5.389 -2.876 2.543 1.00 0.00 C ATOM 330 SD MET A 25 -3.791 -3.481 1.968 1.00 0.00 S ATOM 331 CE MET A 25 -2.684 -2.636 3.096 1.00 0.00 C ATOM 0 H MET A 25 -7.271 -4.843 5.433 1.00 0.00 H new ATOM 0 HA MET A 25 -5.669 -2.588 5.390 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.250 -4.478 3.955 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.818 -4.333 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.075 -2.815 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.271 -1.865 2.932 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.770 -3.219 3.214 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.438 -1.652 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.169 -2.522 4.065 1.00 0.00 H new ATOM 339 N ARG A 26 -8.486 -2.117 3.707 1.00 0.00 N ATOM 340 CA ARG A 26 -9.390 -1.087 3.208 1.00 0.00 C ATOM 341 C ARG A 26 -9.799 -0.135 4.327 1.00 0.00 C ATOM 342 O ARG A 26 -10.042 1.049 4.091 1.00 0.00 O ATOM 343 CB ARG A 26 -10.634 -1.728 2.589 1.00 0.00 C ATOM 344 CG ARG A 26 -10.377 -2.378 1.239 1.00 0.00 C ATOM 345 CD ARG A 26 -11.561 -3.222 0.792 1.00 0.00 C ATOM 346 NE ARG A 26 -11.527 -4.562 1.372 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.559 -5.397 1.351 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.700 -5.032 0.782 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.451 -6.601 1.899 1.00 0.00 N ATOM 0 H ARG A 26 -8.783 -3.072 3.507 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.864 -0.516 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.025 -2.479 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.406 -0.967 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.177 -1.607 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.486 -3.002 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.488 -2.726 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.563 -3.297 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.664 -4.873 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.786 -4.108 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.491 -5.675 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.575 -6.885 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.244 -7.242 1.882 1.00 0.00 H new ATOM 360 N HIS A 27 -9.873 -0.659 5.546 1.00 0.00 N ATOM 361 CA HIS A 27 -10.253 0.146 6.702 1.00 0.00 C ATOM 362 C HIS A 27 -9.103 1.050 7.136 1.00 0.00 C ATOM 363 O HIS A 27 -9.320 2.185 7.565 1.00 0.00 O ATOM 364 CB HIS A 27 -10.672 -0.758 7.863 1.00 0.00 C ATOM 365 CG HIS A 27 -10.824 -0.030 9.163 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.149 -0.151 10.330 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -11.766 0.956 9.368 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -10.689 0.755 11.209 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -11.663 1.411 10.604 1.00 0.00 N flip ATOM 0 H HIS A 27 -9.675 -1.637 5.759 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.097 0.773 6.416 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.617 -1.241 7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.931 -1.549 7.983 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.477 1.302 8.633 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.369 0.907 12.229 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.238 2.144 11.020 1.00 0.00 H new ATOM 376 N THR A 28 -7.881 0.542 7.022 1.00 0.00 N ATOM 377 CA THR A 28 -6.698 1.303 7.403 1.00 0.00 C ATOM 378 C THR A 28 -6.644 2.639 6.670 1.00 0.00 C ATOM 379 O THR A 28 -6.387 3.679 7.277 1.00 0.00 O ATOM 380 CB THR A 28 -5.405 0.517 7.109 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.661 -0.890 7.183 1.00 0.00 O ATOM 382 CG2 THR A 28 -4.309 0.891 8.096 1.00 0.00 C ATOM 0 H THR A 28 -7.684 -0.394 6.669 1.00 0.00 H new ATOM 0 HA THR A 28 -6.770 1.482 8.476 1.00 0.00 H new ATOM 0 HB THR A 28 -5.070 0.773 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.989 -1.315 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.406 0.324 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.097 1.957 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.638 0.660 9.109 1.00 0.00 H new ATOM 390 N ILE A 29 -6.888 2.602 5.365 1.00 0.00 N ATOM 391 CA ILE A 29 -6.869 3.811 4.550 1.00 0.00 C ATOM 392 C ILE A 29 -8.098 4.674 4.818 1.00 0.00 C ATOM 393 O ILE A 29 -7.983 5.864 5.109 1.00 0.00 O ATOM 394 CB ILE A 29 -6.806 3.478 3.048 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.502 2.747 2.720 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.932 4.747 2.219 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.572 1.254 2.953 1.00 0.00 C ATOM 0 H ILE A 29 -7.101 1.748 4.849 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.972 4.364 4.828 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.640 2.822 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.243 2.932 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.698 3.164 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.886 4.496 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.885 5.230 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.116 5.426 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.613 0.801 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.800 1.060 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.353 0.824 2.326 1.00 0.00 H new ATOM 408 N GLY A 30 -9.275 4.064 4.718 1.00 0.00 N ATOM 409 CA GLY A 30 -10.509 4.790 4.953 1.00 0.00 C ATOM 410 C GLY A 30 -10.517 5.501 6.292 1.00 0.00 C ATOM 411 O GLY A 30 -10.909 6.664 6.381 1.00 0.00 O ATOM 0 H GLY A 30 -9.396 3.080 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.655 5.520 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.349 4.097 4.908 1.00 0.00 H new ATOM 415 N GLN A 31 -10.084 4.801 7.335 1.00 0.00 N ATOM 416 CA GLN A 31 -10.045 5.372 8.676 1.00 0.00 C ATOM 417 C GLN A 31 -8.914 6.386 8.803 1.00 0.00 C ATOM 418 O GLN A 31 -9.047 7.397 9.492 1.00 0.00 O ATOM 419 CB GLN A 31 -9.876 4.267 9.720 1.00 0.00 C ATOM 420 CG GLN A 31 -9.456 4.781 11.087 1.00 0.00 C ATOM 421 CD GLN A 31 -10.276 4.182 12.212 1.00 0.00 C ATOM 422 OE1 GLN A 31 -11.595 4.287 12.106 1.00 0.00 O flip ATOM 423 NE2 GLN A 31 -9.729 3.630 13.169 1.00 0.00 N flip ATOM 0 H GLN A 31 -9.755 3.837 7.277 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.990 5.886 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.816 3.725 9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.132 3.554 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.403 4.553 11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.554 5.866 11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.712 3.571 13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.294 3.232 13.919 1.00 0.00 H new ATOM 430 N ALA A 32 -7.800 6.109 8.132 1.00 0.00 N ATOM 431 CA ALA A 32 -6.645 6.998 8.169 1.00 0.00 C ATOM 432 C ALA A 32 -7.019 8.402 7.705 1.00 0.00 C ATOM 433 O ALA A 32 -6.653 9.391 8.339 1.00 0.00 O ATOM 434 CB ALA A 32 -5.520 6.438 7.311 1.00 0.00 C ATOM 0 H ALA A 32 -7.673 5.276 7.557 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.301 7.064 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.664 7.112 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.227 5.459 7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.862 6.342 6.280 1.00 0.00 H new ATOM 440 N GLU A 33 -7.746 8.480 6.596 1.00 0.00 N ATOM 441 CA GLU A 33 -8.166 9.764 6.047 1.00 0.00 C ATOM 442 C GLU A 33 -8.860 10.609 7.112 1.00 0.00 C ATOM 443 O GLU A 33 -8.700 11.829 7.150 1.00 0.00 O ATOM 444 CB GLU A 33 -9.104 9.552 4.857 1.00 0.00 C ATOM 445 CG GLU A 33 -9.228 10.770 3.955 1.00 0.00 C ATOM 446 CD GLU A 33 -10.664 11.059 3.561 1.00 0.00 C ATOM 447 OE1 GLU A 33 -11.342 10.133 3.069 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.107 12.212 3.744 1.00 0.00 O ATOM 0 H GLU A 33 -8.057 7.670 6.060 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.276 10.295 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.744 8.709 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.093 9.283 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.813 11.639 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.633 10.614 3.055 1.00 0.00 H new ATOM 658 N PHE A 51 -3.704 20.617 -0.692 1.00 0.00 N ATOM 659 CA PHE A 51 -4.304 19.529 0.072 1.00 0.00 C ATOM 660 C PHE A 51 -5.011 18.542 -0.853 1.00 0.00 C ATOM 661 O PHE A 51 -5.029 17.339 -0.594 1.00 0.00 O ATOM 662 CB PHE A 51 -5.293 20.084 1.098 1.00 0.00 C ATOM 663 CG PHE A 51 -6.075 19.018 1.813 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.261 18.538 1.284 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.623 18.500 3.016 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.983 17.557 1.939 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.339 17.519 3.676 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.522 17.048 3.138 1.00 0.00 C ATOM 0 HA PHE A 51 -3.507 19.002 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.748 20.678 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.987 20.757 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.627 18.935 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.701 18.867 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.905 17.189 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.974 17.121 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.085 16.284 3.654 1.00 0.00 H new ATOM 677 N GLN A 52 -5.594 19.061 -1.928 1.00 0.00 N ATOM 678 CA GLN A 52 -6.304 18.226 -2.890 1.00 0.00 C ATOM 679 C GLN A 52 -5.331 17.353 -3.676 1.00 0.00 C ATOM 680 O GLN A 52 -5.479 16.132 -3.726 1.00 0.00 O ATOM 681 CB GLN A 52 -7.118 19.096 -3.850 1.00 0.00 C ATOM 682 CG GLN A 52 -7.899 18.297 -4.880 1.00 0.00 C ATOM 683 CD GLN A 52 -9.347 18.087 -4.480 1.00 0.00 C ATOM 684 OE1 GLN A 52 -10.099 19.045 -4.305 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.743 16.828 -4.335 1.00 0.00 N ATOM 0 H GLN A 52 -5.589 20.055 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.982 17.575 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.812 19.707 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.445 19.780 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.862 18.814 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.421 17.328 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.084 16.065 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.706 16.624 -4.068 1.00 0.00 H new ATOM 692 N ALA A 53 -4.337 17.987 -4.289 1.00 0.00 N ATOM 693 CA ALA A 53 -3.339 17.269 -5.071 1.00 0.00 C ATOM 694 C ALA A 53 -2.739 16.118 -4.270 1.00 0.00 C ATOM 695 O ALA A 53 -2.367 15.088 -4.830 1.00 0.00 O ATOM 696 CB ALA A 53 -2.246 18.219 -5.534 1.00 0.00 C ATOM 0 H ALA A 53 -4.202 18.998 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.833 16.849 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.508 17.668 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.683 19.004 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.762 18.667 -4.666 1.00 0.00 H new ATOM 702 N ALA A 54 -2.645 16.303 -2.958 1.00 0.00 N ATOM 703 CA ALA A 54 -2.090 15.279 -2.079 1.00 0.00 C ATOM 704 C ALA A 54 -3.105 14.171 -1.819 1.00 0.00 C ATOM 705 O ALA A 54 -2.739 13.004 -1.668 1.00 0.00 O ATOM 706 CB ALA A 54 -1.635 15.901 -0.767 1.00 0.00 C ATOM 0 H ALA A 54 -2.946 17.152 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.227 14.836 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.223 15.126 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.870 16.652 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.485 16.371 -0.273 1.00 0.00 H new ATOM 712 N HIS A 55 -4.380 14.542 -1.765 1.00 0.00 N ATOM 713 CA HIS A 55 -5.447 13.579 -1.522 1.00 0.00 C ATOM 714 C HIS A 55 -5.660 12.684 -2.740 1.00 0.00 C ATOM 715 O HIS A 55 -5.980 11.504 -2.608 1.00 0.00 O ATOM 716 CB HIS A 55 -6.747 14.302 -1.173 1.00 0.00 C ATOM 717 CG HIS A 55 -7.916 13.383 -0.994 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.638 12.682 -1.899 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.468 13.100 0.238 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.603 11.994 -1.204 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.479 12.263 0.083 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.699 15.503 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.152 12.953 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.600 14.872 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.977 15.019 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.127 13.500 1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.343 11.339 -1.640 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.064 11.889 0.830 1.00 0.00 H new ATOM 728 N ALA A 56 -5.479 13.257 -3.926 1.00 0.00 N ATOM 729 CA ALA A 56 -5.650 12.512 -5.168 1.00 0.00 C ATOM 730 C ALA A 56 -4.507 11.525 -5.378 1.00 0.00 C ATOM 731 O ALA A 56 -4.691 10.466 -5.977 1.00 0.00 O ATOM 732 CB ALA A 56 -5.749 13.467 -6.347 1.00 0.00 C ATOM 0 H ALA A 56 -5.214 14.234 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.577 11.943 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.876 12.897 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.604 14.129 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.837 14.061 -6.411 1.00 0.00 H new ATOM 738 N ARG A 57 -3.327 11.880 -4.880 1.00 0.00 N ATOM 739 CA ARG A 57 -2.153 11.026 -5.015 1.00 0.00 C ATOM 740 C ARG A 57 -2.340 9.719 -4.250 1.00 0.00 C ATOM 741 O ARG A 57 -1.933 8.653 -4.711 1.00 0.00 O ATOM 742 CB ARG A 57 -0.905 11.752 -4.508 1.00 0.00 C ATOM 743 CG ARG A 57 -0.241 12.627 -5.558 1.00 0.00 C ATOM 744 CD ARG A 57 1.110 13.139 -5.083 1.00 0.00 C ATOM 745 NE ARG A 57 2.216 12.373 -5.652 1.00 0.00 N ATOM 746 CZ ARG A 57 3.475 12.795 -5.659 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.787 13.971 -5.131 1.00 0.00 N ATOM 748 NH2 ARG A 57 4.426 12.041 -6.195 1.00 0.00 N ATOM 0 H ARG A 57 -3.159 12.753 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.025 10.793 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.177 12.369 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.185 11.015 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.112 12.058 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.889 13.471 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.217 14.188 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.155 13.088 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 57 2.010 11.464 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.059 14.554 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.755 14.292 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.190 11.136 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.393 12.366 -6.200 1.00 0.00 H new ATOM 759 N PHE A 58 -2.958 9.810 -3.077 1.00 0.00 N ATOM 760 CA PHE A 58 -3.198 8.636 -2.246 1.00 0.00 C ATOM 761 C PHE A 58 -4.171 7.677 -2.926 1.00 0.00 C ATOM 762 O PHE A 58 -3.871 6.499 -3.112 1.00 0.00 O ATOM 763 CB PHE A 58 -3.748 9.055 -0.881 1.00 0.00 C ATOM 764 CG PHE A 58 -3.610 7.992 0.172 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.286 6.789 0.053 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.805 8.198 1.281 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.162 5.809 1.020 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.676 7.222 2.251 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.356 6.027 2.121 1.00 0.00 C ATOM 0 H PHE A 58 -3.302 10.685 -2.680 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.247 8.122 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.228 9.954 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.801 9.316 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.918 6.615 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.273 9.131 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.694 4.875 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.044 7.394 3.110 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.258 5.264 2.879 1.00 0.00 H new ATOM 778 N VAL A 59 -5.339 8.194 -3.296 1.00 0.00 N ATOM 779 CA VAL A 59 -6.357 7.385 -3.956 1.00 0.00 C ATOM 780 C VAL A 59 -5.822 6.773 -5.246 1.00 0.00 C ATOM 781 O VAL A 59 -6.202 5.665 -5.624 1.00 0.00 O ATOM 782 CB VAL A 59 -7.613 8.217 -4.278 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.232 9.501 -4.999 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.594 7.400 -5.105 1.00 0.00 C ATOM 0 H VAL A 59 -5.603 9.168 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.626 6.588 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.100 8.487 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.132 10.076 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.570 10.091 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.721 9.257 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.476 8.003 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.120 7.098 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.891 6.513 -4.546 1.00 0.00 H new ATOM 794 N ALA A 60 -4.937 7.503 -5.917 1.00 0.00 N ATOM 795 CA ALA A 60 -4.346 7.031 -7.164 1.00 0.00 C ATOM 796 C ALA A 60 -3.565 5.739 -6.947 1.00 0.00 C ATOM 797 O ALA A 60 -3.605 4.832 -7.776 1.00 0.00 O ATOM 798 CB ALA A 60 -3.445 8.102 -7.759 1.00 0.00 C ATOM 0 H ALA A 60 -4.613 8.423 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.154 6.822 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.011 7.736 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.030 8.999 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.648 8.339 -7.055 1.00 0.00 H new ATOM 804 N ALA A 61 -2.853 5.665 -5.827 1.00 0.00 N ATOM 805 CA ALA A 61 -2.063 4.485 -5.501 1.00 0.00 C ATOM 806 C ALA A 61 -2.943 3.373 -4.940 1.00 0.00 C ATOM 807 O ALA A 61 -2.681 2.190 -5.158 1.00 0.00 O ATOM 808 CB ALA A 61 -0.964 4.842 -4.511 1.00 0.00 C ATOM 0 H ALA A 61 -2.807 6.409 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.604 4.120 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.382 3.951 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.311 5.597 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.411 5.234 -3.597 1.00 0.00 H new ATOM 814 N ALA A 62 -3.987 3.760 -4.214 1.00 0.00 N ATOM 815 CA ALA A 62 -4.906 2.797 -3.622 1.00 0.00 C ATOM 816 C ALA A 62 -5.409 1.805 -4.665 1.00 0.00 C ATOM 817 O ALA A 62 -5.598 0.624 -4.373 1.00 0.00 O ATOM 818 CB ALA A 62 -6.077 3.516 -2.968 1.00 0.00 C ATOM 0 H ALA A 62 -4.217 4.735 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.364 2.239 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.755 2.783 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.706 4.180 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.610 4.101 -3.718 1.00 0.00 H new ATOM 824 N ALA A 63 -5.622 2.292 -5.883 1.00 0.00 N ATOM 825 CA ALA A 63 -6.103 1.448 -6.970 1.00 0.00 C ATOM 826 C ALA A 63 -5.171 0.261 -7.195 1.00 0.00 C ATOM 827 O ALA A 63 -5.608 -0.815 -7.605 1.00 0.00 O ATOM 828 CB ALA A 63 -6.240 2.261 -8.248 1.00 0.00 C ATOM 0 H ALA A 63 -5.469 3.267 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.083 1.061 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.600 1.618 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.949 3.073 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.269 2.675 -8.522 1.00 0.00 H new ATOM 834 N LYS A 64 -3.887 0.463 -6.924 1.00 0.00 N ATOM 835 CA LYS A 64 -2.893 -0.591 -7.095 1.00 0.00 C ATOM 836 C LYS A 64 -3.003 -1.629 -5.984 1.00 0.00 C ATOM 837 O LYS A 64 -3.005 -2.833 -6.242 1.00 0.00 O ATOM 838 CB LYS A 64 -1.484 0.006 -7.112 1.00 0.00 C ATOM 839 CG LYS A 64 -0.579 -0.601 -8.171 1.00 0.00 C ATOM 840 CD LYS A 64 -0.491 -2.111 -8.029 1.00 0.00 C ATOM 841 CE LYS A 64 0.417 -2.718 -9.088 1.00 0.00 C ATOM 842 NZ LYS A 64 0.050 -2.265 -10.458 1.00 0.00 N ATOM 0 H LYS A 64 -3.509 1.348 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.084 -1.084 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.556 1.081 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.027 -0.134 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.957 -0.349 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.418 -0.168 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.115 -2.363 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.488 -2.544 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.451 -2.444 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.358 -3.805 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.225 -3.034 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.957 -2.007 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.625 -1.438 -10.716 1.00 0.00 H new ATOM 852 N VAL A 65 -3.096 -1.155 -4.745 1.00 0.00 N ATOM 853 CA VAL A 65 -3.210 -2.042 -3.593 1.00 0.00 C ATOM 854 C VAL A 65 -4.530 -2.805 -3.616 1.00 0.00 C ATOM 855 O VAL A 65 -4.580 -3.989 -3.282 1.00 0.00 O ATOM 856 CB VAL A 65 -3.103 -1.261 -2.270 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.010 -2.217 -1.091 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.907 -0.322 -2.301 1.00 0.00 C ATOM 0 H VAL A 65 -3.095 -0.162 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.383 -2.750 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.005 -0.660 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.935 -1.647 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.901 -2.844 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.127 -2.847 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.847 0.222 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.994 -0.900 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.022 0.386 -3.122 1.00 0.00 H new ATOM 868 N ASN A 66 -5.597 -2.119 -4.011 1.00 0.00 N ATOM 869 CA ASN A 66 -6.919 -2.733 -4.077 1.00 0.00 C ATOM 870 C ASN A 66 -6.962 -3.819 -5.147 1.00 0.00 C ATOM 871 O ASN A 66 -7.444 -4.926 -4.905 1.00 0.00 O ATOM 872 CB ASN A 66 -7.982 -1.671 -4.367 1.00 0.00 C ATOM 873 CG ASN A 66 -9.220 -2.257 -5.020 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.175 -2.632 -4.339 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.208 -2.338 -6.344 1.00 0.00 N ATOM 0 H ASN A 66 -5.573 -1.138 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.128 -3.193 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.264 -1.179 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.559 -0.905 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.012 -2.723 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.394 -2.015 -6.867 1.00 0.00 H new ATOM 881 N THR A 67 -6.454 -3.494 -6.332 1.00 0.00 N ATOM 882 CA THR A 67 -6.435 -4.441 -7.440 1.00 0.00 C ATOM 883 C THR A 67 -5.560 -5.647 -7.117 1.00 0.00 C ATOM 884 O THR A 67 -5.853 -6.768 -7.536 1.00 0.00 O ATOM 885 CB THR A 67 -5.922 -3.781 -8.734 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.789 -2.707 -9.114 1.00 0.00 O ATOM 887 CG2 THR A 67 -5.838 -4.797 -9.864 1.00 0.00 C ATOM 0 H THR A 67 -6.051 -2.583 -6.549 1.00 0.00 H new ATOM 0 HA THR A 67 -7.463 -4.771 -7.592 1.00 0.00 H new ATOM 0 HB THR A 67 -4.923 -3.390 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.426 -1.860 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.473 -4.307 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.153 -5.597 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.827 -5.215 -10.052 1.00 0.00 H new ATOM 895 N LEU A 68 -4.488 -5.412 -6.369 1.00 0.00 N ATOM 896 CA LEU A 68 -3.571 -6.480 -5.989 1.00 0.00 C ATOM 897 C LEU A 68 -4.165 -7.336 -4.874 1.00 0.00 C ATOM 898 O LEU A 68 -3.840 -8.517 -4.743 1.00 0.00 O ATOM 899 CB LEU A 68 -2.232 -5.894 -5.539 1.00 0.00 C ATOM 900 CG LEU A 68 -1.324 -5.366 -6.651 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.063 -4.752 -6.062 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.973 -6.478 -7.627 1.00 0.00 C ATOM 0 H LEU A 68 -4.232 -4.491 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.408 -7.113 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.430 -5.080 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.689 -6.661 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.862 -4.590 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.572 -4.381 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.334 -3.926 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.478 -5.508 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.327 -6.083 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.455 -7.277 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.886 -6.872 -8.074 1.00 0.00 H new ATOM 913 N LEU A 69 -5.039 -6.734 -4.075 1.00 0.00 N ATOM 914 CA LEU A 69 -5.680 -7.441 -2.972 1.00 0.00 C ATOM 915 C LEU A 69 -6.720 -8.431 -3.491 1.00 0.00 C ATOM 916 O LEU A 69 -6.970 -9.465 -2.872 1.00 0.00 O ATOM 917 CB LEU A 69 -6.339 -6.445 -2.016 1.00 0.00 C ATOM 918 CG LEU A 69 -5.516 -6.047 -0.790 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.258 -5.007 0.035 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.194 -7.270 0.056 1.00 0.00 C ATOM 0 H LEU A 69 -5.320 -5.758 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.912 -7.997 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.581 -5.541 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.282 -6.870 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.578 -5.609 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.658 -4.736 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.438 -4.121 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.211 -5.418 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.608 -6.968 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.121 -7.737 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.622 -7.983 -0.538 1.00 0.00 H new ATOM 931 N ASP A 70 -7.321 -8.104 -4.629 1.00 0.00 N ATOM 932 CA ASP A 70 -8.332 -8.966 -5.233 1.00 0.00 C ATOM 933 C ASP A 70 -7.681 -10.126 -5.979 1.00 0.00 C ATOM 934 O ASP A 70 -8.020 -11.289 -5.758 1.00 0.00 O ATOM 935 CB ASP A 70 -9.215 -8.160 -6.187 1.00 0.00 C ATOM 936 CG ASP A 70 -10.484 -8.898 -6.565 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.408 -9.813 -7.413 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.552 -8.562 -6.013 1.00 0.00 O ATOM 0 H ASP A 70 -7.127 -7.250 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.952 -9.374 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.476 -7.210 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.651 -7.927 -7.090 1.00 0.00 H new ATOM 942 N VAL A 71 -6.746 -9.803 -6.866 1.00 0.00 N ATOM 943 CA VAL A 71 -6.047 -10.817 -7.646 1.00 0.00 C ATOM 944 C VAL A 71 -5.326 -11.807 -6.739 1.00 0.00 C ATOM 945 O VAL A 71 -5.203 -12.988 -7.063 1.00 0.00 O ATOM 946 CB VAL A 71 -5.026 -10.183 -8.609 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.723 -9.243 -9.582 1.00 0.00 C ATOM 948 CG2 VAL A 71 -3.945 -9.450 -7.830 1.00 0.00 C ATOM 0 H VAL A 71 -6.455 -8.846 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.803 -11.344 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.552 -10.978 -9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.986 -8.804 -10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.458 -9.800 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.224 -8.451 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.232 -9.008 -8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.400 -8.663 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.427 -10.153 -7.177 1.00 0.00 H new ATOM 958 N ALA A 72 -4.849 -11.318 -5.598 1.00 0.00 N ATOM 959 CA ALA A 72 -4.142 -12.160 -4.642 1.00 0.00 C ATOM 960 C ALA A 72 -5.040 -13.278 -4.125 1.00 0.00 C ATOM 961 O ALA A 72 -4.656 -14.447 -4.129 1.00 0.00 O ATOM 962 CB ALA A 72 -3.622 -11.321 -3.484 1.00 0.00 C ATOM 0 H ALA A 72 -4.940 -10.343 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.296 -12.617 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.096 -11.963 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.938 -10.562 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.459 -10.837 -2.981 1.00 0.00 H new ATOM 968 N GLN A 73 -6.237 -12.912 -3.681 1.00 0.00 N ATOM 969 CA GLN A 73 -7.190 -13.885 -3.158 1.00 0.00 C ATOM 970 C GLN A 73 -7.762 -14.743 -4.283 1.00 0.00 C ATOM 971 O GLN A 73 -8.046 -15.925 -4.092 1.00 0.00 O ATOM 972 CB GLN A 73 -8.323 -13.175 -2.416 1.00 0.00 C ATOM 973 CG GLN A 73 -7.843 -12.290 -1.277 1.00 0.00 C ATOM 974 CD GLN A 73 -8.771 -11.120 -1.016 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.236 -10.462 -1.947 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.046 -10.856 0.256 1.00 0.00 N ATOM 0 H GLN A 73 -6.571 -11.948 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.662 -14.535 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.886 -12.568 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.011 -13.922 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.754 -12.888 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.847 -11.914 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.638 -11.428 0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.665 -10.081 0.494 1.00 0.00 H new ATOM 983 N ALA A 74 -7.929 -14.139 -5.455 1.00 0.00 N ATOM 984 CA ALA A 74 -8.465 -14.848 -6.610 1.00 0.00 C ATOM 985 C ALA A 74 -7.475 -15.887 -7.125 1.00 0.00 C ATOM 986 O ALA A 74 -7.867 -16.966 -7.567 1.00 0.00 O ATOM 987 CB ALA A 74 -8.824 -13.863 -7.713 1.00 0.00 C ATOM 0 H ALA A 74 -7.701 -13.160 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.369 -15.371 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.223 -14.406 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.574 -13.163 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.932 -13.314 -8.015 1.00 0.00 H new ATOM 993 N ASN A 75 -6.190 -15.552 -7.067 1.00 0.00 N ATOM 994 CA ASN A 75 -5.144 -16.456 -7.529 1.00 0.00 C ATOM 995 C ASN A 75 -4.820 -17.503 -6.468 1.00 0.00 C ATOM 996 O ASN A 75 -4.611 -18.676 -6.779 1.00 0.00 O ATOM 997 CB ASN A 75 -3.882 -15.669 -7.887 1.00 0.00 C ATOM 998 CG ASN A 75 -3.965 -15.036 -9.263 1.00 0.00 C ATOM 999 OD1 ASN A 75 -5.057 -14.326 -9.523 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -3.057 -15.184 -10.082 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.849 -14.662 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.510 -16.968 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.719 -14.891 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.019 -16.334 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.236 -15.738 -9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.126 -14.752 -11.004 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.779 -17.070 -5.212 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.482 -17.968 -4.102 1.00 0.00 C ATOM 1008 C LEU A 76 -5.661 -18.895 -3.822 1.00 0.00 C ATOM 1009 O LEU A 76 -5.480 -20.027 -3.372 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.141 -17.165 -2.846 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.794 -16.441 -2.859 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.572 -15.703 -1.547 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.662 -17.424 -3.117 1.00 0.00 C ATOM 0 H LEU A 76 -4.948 -16.102 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.622 -18.577 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.927 -16.426 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.160 -17.840 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.805 -15.710 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.609 -15.194 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.366 -14.970 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.582 -16.416 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.711 -16.891 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.650 -18.179 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.813 -17.907 -4.082 1.00 0.00 H new ATOM 1024 N GLY A 77 -6.868 -18.409 -4.091 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.058 -19.207 -3.863 1.00 0.00 C ATOM 1026 C GLY A 77 -8.412 -19.314 -2.393 1.00 0.00 C ATOM 1027 O GLY A 77 -9.382 -18.710 -1.937 1.00 0.00 O ATOM 0 H GLY A 77 -7.043 -17.476 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.896 -18.767 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.905 -20.206 -4.270 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.624 -20.085 -1.651 1.00 0.00 N ATOM 1032 CA GLU A 78 -7.862 -20.271 -0.224 1.00 0.00 C ATOM 1033 C GLU A 78 -7.993 -18.926 0.485 1.00 0.00 C ATOM 1034 O GLU A 78 -8.786 -18.776 1.413 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.726 -21.082 0.404 1.00 0.00 C ATOM 1036 CG GLU A 78 -6.671 -22.522 -0.075 1.00 0.00 C ATOM 1037 CD GLU A 78 -5.546 -23.309 0.571 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -4.803 -22.723 1.385 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -5.410 -24.511 0.260 1.00 0.00 O ATOM 0 H GLU A 78 -6.816 -20.591 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.798 -20.818 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.776 -20.596 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.840 -21.072 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.622 -23.010 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.545 -22.536 -1.158 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.209 -17.950 0.039 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.238 -16.617 0.628 1.00 0.00 C ATOM 1046 C ALA A 79 -8.661 -16.071 0.681 1.00 0.00 C ATOM 1047 O ALA A 79 -9.165 -15.727 1.749 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.337 -15.674 -0.154 1.00 0.00 C ATOM 0 H ALA A 79 -6.546 -18.058 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.867 -16.691 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.369 -14.682 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.314 -16.049 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.682 -15.614 -1.186 1.00 0.00 H new ATOM 1533 N ALA B 620 2.146 11.809 9.714 1.00 0.00 N ATOM 1534 CA ALA B 620 2.998 10.848 9.026 1.00 0.00 C ATOM 1535 C ALA B 620 2.983 9.496 9.731 1.00 0.00 C ATOM 1536 O ALA B 620 3.111 8.451 9.094 1.00 0.00 O ATOM 1537 CB ALA B 620 4.421 11.379 8.930 1.00 0.00 C ATOM 0 HA ALA B 620 2.605 10.707 8.019 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.047 10.651 8.414 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.423 12.317 8.375 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.814 11.550 9.932 1.00 0.00 H new ATOM 1543 N GLY B 621 2.824 9.524 11.051 1.00 0.00 N ATOM 1544 CA GLY B 621 2.797 8.295 11.821 1.00 0.00 C ATOM 1545 C GLY B 621 1.782 7.301 11.289 1.00 0.00 C ATOM 1546 O GLY B 621 2.060 6.104 11.207 1.00 0.00 O ATOM 0 H GLY B 621 2.713 10.376 11.600 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.788 7.840 11.809 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.565 8.526 12.861 1.00 0.00 H new ATOM 1550 N TYR B 622 0.604 7.797 10.930 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.457 6.944 10.408 1.00 0.00 C ATOM 1552 C TYR B 622 -0.045 6.313 9.081 1.00 0.00 C ATOM 1553 O TYR B 622 -0.368 5.158 8.805 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.745 7.749 10.224 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.649 7.730 11.436 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.505 8.670 12.450 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.648 6.773 11.566 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.328 8.655 13.559 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.477 6.752 12.671 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.313 7.695 13.665 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.136 7.677 14.767 1.00 0.00 O ATOM 0 H TYR B 622 0.359 8.785 10.991 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.635 6.147 11.130 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.488 8.782 9.989 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -2.291 7.354 9.367 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -1.737 9.425 12.369 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.779 6.033 10.790 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -3.201 9.391 14.339 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -5.249 6.002 12.756 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.776 6.939 14.686 1.00 0.00 H new ATOM 1570 N ALA B 623 0.669 7.080 8.265 1.00 0.00 N ATOM 1571 CA ALA B 623 1.127 6.597 6.968 1.00 0.00 C ATOM 1572 C ALA B 623 2.012 5.365 7.124 1.00 0.00 C ATOM 1573 O ALA B 623 2.013 4.478 6.271 1.00 0.00 O ATOM 1574 CB ALA B 623 1.876 7.697 6.230 1.00 0.00 C ATOM 0 H ALA B 623 0.943 8.039 8.479 1.00 0.00 H new ATOM 0 HA ALA B 623 0.252 6.313 6.383 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.212 7.323 5.263 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.214 8.550 6.079 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.739 8.008 6.819 1.00 0.00 H new ATOM 1580 N GLY B 624 2.765 5.317 8.219 1.00 0.00 N ATOM 1581 CA GLY B 624 3.645 4.188 8.464 1.00 0.00 C ATOM 1582 C GLY B 624 2.883 2.920 8.794 1.00 0.00 C ATOM 1583 O GLY B 624 3.362 1.814 8.539 1.00 0.00 O ATOM 0 H GLY B 624 2.782 6.038 8.940 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.265 4.017 7.584 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.318 4.428 9.287 1.00 0.00 H new ATOM 1587 N THR B 625 1.692 3.078 9.364 1.00 0.00 N ATOM 1588 CA THR B 625 0.863 1.936 9.731 1.00 0.00 C ATOM 1589 C THR B 625 0.609 1.033 8.530 1.00 0.00 C ATOM 1590 O THR B 625 0.560 -0.191 8.660 1.00 0.00 O ATOM 1591 CB THR B 625 -0.488 2.389 10.316 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.274 3.168 11.498 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.364 1.189 10.644 1.00 0.00 C ATOM 0 H THR B 625 1.280 3.985 9.581 1.00 0.00 H new ATOM 0 HA THR B 625 1.410 1.378 10.491 1.00 0.00 H new ATOM 0 HB THR B 625 -0.997 2.998 9.569 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.138 3.453 11.863 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.313 1.533 11.056 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.549 0.615 9.736 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.858 0.558 11.375 1.00 0.00 H new ATOM 1601 N LEU B 626 0.446 1.643 7.361 1.00 0.00 N ATOM 1602 CA LEU B 626 0.197 0.893 6.135 1.00 0.00 C ATOM 1603 C LEU B 626 1.426 0.086 5.731 1.00 0.00 C ATOM 1604 O LEU B 626 1.309 -1.029 5.223 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.199 1.843 5.004 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.123 2.999 5.391 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.555 3.773 4.155 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.336 2.481 6.150 1.00 0.00 C ATOM 0 H LEU B 626 0.482 2.655 7.236 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.623 0.200 6.322 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.710 2.260 4.572 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.686 1.261 4.221 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.573 3.676 6.045 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.212 4.592 4.449 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.676 4.176 3.652 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.087 3.107 3.476 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.982 3.317 6.417 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.888 1.783 5.521 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.008 1.972 7.056 1.00 0.00 H new ATOM 1619 N GLN B 627 2.604 0.657 5.960 1.00 0.00 N ATOM 1620 CA GLN B 627 3.855 -0.010 5.620 1.00 0.00 C ATOM 1621 C GLN B 627 3.906 -1.411 6.220 1.00 0.00 C ATOM 1622 O GLN B 627 4.254 -2.376 5.540 1.00 0.00 O ATOM 1623 CB GLN B 627 5.047 0.812 6.115 1.00 0.00 C ATOM 1624 CG GLN B 627 6.152 0.963 5.082 1.00 0.00 C ATOM 1625 CD GLN B 627 7.476 0.395 5.556 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.513 -0.609 6.267 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.570 1.036 5.162 1.00 0.00 N ATOM 0 H GLN B 627 2.718 1.580 6.379 1.00 0.00 H new ATOM 0 HA GLN B 627 3.907 -0.097 4.535 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.698 1.802 6.409 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.457 0.340 7.008 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.854 0.461 4.161 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.279 2.019 4.843 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.491 1.865 4.573 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.489 0.700 5.449 1.00 0.00 H new ATOM 1634 N SER B 628 3.555 -1.516 7.498 1.00 0.00 N ATOM 1635 CA SER B 628 3.564 -2.798 8.190 1.00 0.00 C ATOM 1636 C SER B 628 2.361 -3.644 7.784 1.00 0.00 C ATOM 1637 O SER B 628 2.427 -4.874 7.771 1.00 0.00 O ATOM 1638 CB SER B 628 3.563 -2.584 9.705 1.00 0.00 C ATOM 1639 OG SER B 628 4.808 -2.950 10.274 1.00 0.00 O ATOM 0 H SER B 628 3.261 -0.728 8.075 1.00 0.00 H new ATOM 0 HA SER B 628 4.472 -3.329 7.906 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.352 -1.538 9.927 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.766 -3.173 10.158 1.00 0.00 H new ATOM 0 HG SER B 628 4.781 -2.802 11.242 1.00 0.00 H new ATOM 1644 N LEU B 629 1.261 -2.976 7.453 1.00 0.00 N ATOM 1645 CA LEU B 629 0.041 -3.664 7.046 1.00 0.00 C ATOM 1646 C LEU B 629 0.235 -4.369 5.707 1.00 0.00 C ATOM 1647 O LEU B 629 -0.270 -5.471 5.496 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.119 -2.673 6.950 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.519 -3.255 7.148 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.843 -4.252 6.046 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.634 -3.914 8.515 1.00 0.00 C ATOM 0 H LEU B 629 1.189 -1.959 7.459 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.193 -4.415 7.801 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.964 -1.891 7.693 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.082 -2.195 5.971 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.241 -2.440 7.097 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.843 -4.656 6.203 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.802 -3.751 5.079 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.117 -5.064 6.065 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.637 -4.323 8.639 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.902 -4.718 8.594 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.445 -3.174 9.293 1.00 0.00 H new ATOM 1662 N GLY B 630 0.971 -3.726 4.806 1.00 0.00 N ATOM 1663 CA GLY B 630 1.220 -4.306 3.499 1.00 0.00 C ATOM 1664 C GLY B 630 2.066 -5.562 3.576 1.00 0.00 C ATOM 1665 O GLY B 630 1.740 -6.575 2.957 1.00 0.00 O ATOM 0 H GLY B 630 1.400 -2.813 4.958 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.269 -4.541 3.021 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.721 -3.572 2.868 1.00 0.00 H new ATOM 1669 N ALA B 631 3.154 -5.496 4.335 1.00 0.00 N ATOM 1670 CA ALA B 631 4.048 -6.637 4.490 1.00 0.00 C ATOM 1671 C ALA B 631 3.282 -7.878 4.933 1.00 0.00 C ATOM 1672 O ALA B 631 3.573 -8.990 4.490 1.00 0.00 O ATOM 1673 CB ALA B 631 5.152 -6.312 5.485 1.00 0.00 C ATOM 0 H ALA B 631 3.438 -4.664 4.853 1.00 0.00 H new ATOM 0 HA ALA B 631 4.499 -6.848 3.520 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.812 -7.173 5.591 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.725 -5.457 5.126 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.711 -6.072 6.452 1.00 0.00 H new ATOM 1679 N GLU B 632 2.303 -7.682 5.810 1.00 0.00 N ATOM 1680 CA GLU B 632 1.497 -8.788 6.314 1.00 0.00 C ATOM 1681 C GLU B 632 0.852 -9.560 5.166 1.00 0.00 C ATOM 1682 O GLU B 632 0.845 -10.791 5.159 1.00 0.00 O ATOM 1683 CB GLU B 632 0.415 -8.269 7.263 1.00 0.00 C ATOM 1684 CG GLU B 632 0.942 -7.314 8.322 1.00 0.00 C ATOM 1685 CD GLU B 632 0.574 -7.741 9.729 1.00 0.00 C ATOM 1686 OE1 GLU B 632 -0.568 -7.466 10.154 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.427 -8.352 10.406 1.00 0.00 O ATOM 0 H GLU B 632 2.049 -6.769 6.186 1.00 0.00 H new ATOM 0 HA GLU B 632 2.156 -9.464 6.859 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.355 -7.763 6.681 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.062 -9.117 7.755 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.027 -7.248 8.239 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.547 -6.316 8.134 1.00 0.00 H new ATOM 1692 N ILE B 633 0.312 -8.826 4.197 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.333 -9.440 3.045 1.00 0.00 C ATOM 1694 C ILE B 633 0.695 -10.046 2.096 1.00 0.00 C ATOM 1695 O ILE B 633 0.468 -11.102 1.509 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.191 -8.422 2.271 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.260 -7.822 3.187 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.834 -9.083 1.060 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.319 -6.311 3.139 1.00 0.00 C ATOM 0 H ILE B 633 0.309 -7.806 4.188 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.978 -10.230 3.430 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.545 -7.617 1.921 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.234 -8.224 2.908 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.067 -8.138 4.212 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.437 -8.351 0.523 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.057 -9.467 0.399 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.469 -9.905 1.389 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.099 -5.956 3.813 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.358 -5.899 3.447 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -2.543 -5.988 2.122 1.00 0.00 H new ATOM 1710 N ALA B 634 1.830 -9.369 1.952 1.00 0.00 N ATOM 1711 CA ALA B 634 2.896 -9.841 1.078 1.00 0.00 C ATOM 1712 C ALA B 634 3.421 -11.198 1.537 1.00 0.00 C ATOM 1713 O ALA B 634 3.541 -12.130 0.741 1.00 0.00 O ATOM 1714 CB ALA B 634 4.028 -8.825 1.028 1.00 0.00 C ATOM 0 H ALA B 634 2.034 -8.491 2.430 1.00 0.00 H new ATOM 0 HA ALA B 634 2.484 -9.959 0.076 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.817 -9.191 0.371 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.649 -7.877 0.646 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.430 -8.678 2.031 1.00 0.00 H new ATOM 1720 N VAL B 635 3.736 -11.301 2.824 1.00 0.00 N ATOM 1721 CA VAL B 635 4.248 -12.544 3.389 1.00 0.00 C ATOM 1722 C VAL B 635 3.281 -13.698 3.146 1.00 0.00 C ATOM 1723 O VAL B 635 3.672 -14.751 2.645 1.00 0.00 O ATOM 1724 CB VAL B 635 4.501 -12.411 4.902 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.995 -13.728 5.479 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.493 -11.292 5.179 1.00 0.00 C ATOM 0 H VAL B 635 3.646 -10.538 3.495 1.00 0.00 H new ATOM 0 HA VAL B 635 5.193 -12.754 2.887 1.00 0.00 H new ATOM 0 HB VAL B 635 3.559 -12.160 5.390 1.00 0.00 H new ATOM 0 HG11 VAL B 635 5.168 -13.614 6.549 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.246 -14.502 5.313 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.926 -14.013 4.989 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.660 -11.212 6.253 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.437 -11.511 4.680 1.00 0.00 H new ATOM 0 HG23 VAL B 635 5.094 -10.350 4.803 1.00 0.00 H new ATOM 1736 N GLU B 636 2.018 -13.489 3.503 1.00 0.00 N ATOM 1737 CA GLU B 636 0.995 -14.513 3.324 1.00 0.00 C ATOM 1738 C GLU B 636 0.965 -15.005 1.880 1.00 0.00 C ATOM 1739 O GLU B 636 0.754 -16.190 1.621 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.379 -13.967 3.718 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.463 -13.515 5.166 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.475 -14.312 5.967 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.571 -14.585 5.436 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -1.169 -14.663 7.126 1.00 0.00 O ATOM 0 H GLU B 636 1.679 -12.621 3.917 1.00 0.00 H new ATOM 0 HA GLU B 636 1.242 -15.355 3.971 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.626 -13.127 3.069 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -1.130 -14.737 3.543 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.519 -13.610 5.630 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.730 -12.459 5.198 1.00 0.00 H new ATOM 1749 N GLN B 637 1.178 -14.086 0.943 1.00 0.00 N ATOM 1750 CA GLN B 637 1.174 -14.426 -0.474 1.00 0.00 C ATOM 1751 C GLN B 637 2.440 -15.186 -0.856 1.00 0.00 C ATOM 1752 O GLN B 637 2.421 -16.036 -1.746 1.00 0.00 O ATOM 1753 CB GLN B 637 1.050 -13.160 -1.324 1.00 0.00 C ATOM 1754 CG GLN B 637 1.849 -13.213 -2.616 1.00 0.00 C ATOM 1755 CD GLN B 637 3.291 -12.788 -2.428 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.219 -13.659 -2.805 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 3.569 -11.689 -1.948 1.00 0.00 N flip ATOM 0 H GLN B 637 1.355 -13.101 1.140 1.00 0.00 H new ATOM 0 HA GLN B 637 0.315 -15.069 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.001 -12.995 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.382 -12.304 -0.736 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.822 -14.227 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.378 -12.567 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN B 637 2.824 -11.050 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.545 -11.417 -1.827 1.00 0.00 H new ATOM 1764 N ALA B 638 3.539 -14.873 -0.177 1.00 0.00 N ATOM 1765 CA ALA B 638 4.814 -15.528 -0.443 1.00 0.00 C ATOM 1766 C ALA B 638 4.829 -16.947 0.115 1.00 0.00 C ATOM 1767 O ALA B 638 5.576 -17.802 -0.361 1.00 0.00 O ATOM 1768 CB ALA B 638 5.957 -14.715 0.145 1.00 0.00 C ATOM 0 H ALA B 638 3.572 -14.170 0.561 1.00 0.00 H new ATOM 0 HA ALA B 638 4.945 -15.590 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.903 -15.216 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.966 -13.722 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.822 -14.624 1.223 1.00 0.00 H new ATOM 1774 N ALA B 639 4.002 -17.190 1.126 1.00 0.00 N ATOM 1775 CA ALA B 639 3.919 -18.505 1.747 1.00 0.00 C ATOM 1776 C ALA B 639 3.010 -19.433 0.950 1.00 0.00 C ATOM 1777 O ALA B 639 3.147 -20.656 1.009 1.00 0.00 O ATOM 1778 CB ALA B 639 3.425 -18.382 3.181 1.00 0.00 C ATOM 0 H ALA B 639 3.379 -16.492 1.533 1.00 0.00 H new ATOM 0 HA ALA B 639 4.919 -18.939 1.755 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.368 -19.372 3.632 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.116 -17.762 3.752 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.436 -17.923 3.187 1.00 0.00 H new ATOM 1784 N LEU B 640 2.079 -18.846 0.205 1.00 0.00 N ATOM 1785 CA LEU B 640 1.145 -19.620 -0.605 1.00 0.00 C ATOM 1786 C LEU B 640 1.470 -19.487 -2.089 1.00 0.00 C ATOM 1787 O LEU B 640 0.579 -19.535 -2.935 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.290 -19.161 -0.341 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.668 -18.946 1.124 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.941 -18.120 1.232 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.835 -20.282 1.835 1.00 0.00 C ATOM 0 H LEU B 640 1.951 -17.836 0.145 1.00 0.00 H new ATOM 0 HA LEU B 640 1.242 -20.669 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.456 -18.228 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.970 -19.899 -0.766 1.00 0.00 H new ATOM 0 HG LEU B 640 0.139 -18.397 1.610 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.194 -17.977 2.283 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.786 -17.149 0.761 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.756 -18.641 0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.104 -20.109 2.877 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.622 -20.857 1.348 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.102 -20.838 1.790 1.00 0.00 H new ATOM 1802 N GLN B 641 2.753 -19.322 -2.396 1.00 0.00 N ATOM 1803 CA GLN B 641 3.195 -19.183 -3.778 1.00 0.00 C ATOM 1804 C GLN B 641 2.803 -20.406 -4.600 1.00 0.00 C ATOM 1805 O GLN B 641 2.245 -20.280 -5.690 1.00 0.00 O ATOM 1806 CB GLN B 641 4.711 -18.981 -3.833 1.00 0.00 C ATOM 1807 CG GLN B 641 5.167 -17.646 -3.265 1.00 0.00 C ATOM 1808 CD GLN B 641 5.026 -16.511 -4.258 1.00 0.00 C ATOM 1809 OE1 GLN B 641 3.803 -16.023 -4.430 1.00 0.00 O flip ATOM 1810 NE2 GLN B 641 6.005 -16.075 -4.866 1.00 0.00 N flip ATOM 0 H GLN B 641 3.504 -19.281 -1.707 1.00 0.00 H new ATOM 0 HA GLN B 641 2.703 -18.309 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.197 -19.786 -3.282 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.042 -19.058 -4.869 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.585 -17.417 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.209 -17.725 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN B 641 6.927 -16.479 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN B 641 5.893 -15.310 -5.531 1.00 0.00 H new ATOM 1817 N SER B 642 3.100 -21.589 -4.070 1.00 0.00 N ATOM 1818 CA SER B 642 2.782 -22.835 -4.758 1.00 0.00 C ATOM 1819 C SER B 642 1.295 -22.908 -5.092 1.00 0.00 C ATOM 1820 O SER B 642 0.893 -23.584 -6.038 1.00 0.00 O ATOM 1821 CB SER B 642 3.182 -24.034 -3.895 1.00 0.00 C ATOM 1822 OG SER B 642 4.369 -23.766 -3.169 1.00 0.00 O ATOM 0 H SER B 642 3.560 -21.710 -3.168 1.00 0.00 H new ATOM 0 HA SER B 642 3.347 -22.861 -5.690 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.375 -24.273 -3.203 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.329 -24.909 -4.528 1.00 0.00 H new ATOM 0 HG SER B 642 4.139 -23.397 -2.291 1.00 0.00 H new ATOM 1827 N ALA B 643 0.484 -22.205 -4.308 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.958 -22.188 -4.520 1.00 0.00 C ATOM 1829 C ALA B 643 -1.329 -21.281 -5.689 1.00 0.00 C ATOM 1830 O ALA B 643 -2.308 -21.531 -6.394 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.672 -21.738 -3.254 1.00 0.00 C ATOM 0 H ALA B 643 0.801 -21.640 -3.520 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.277 -23.201 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.748 -21.730 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.440 -22.426 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.340 -20.735 -2.986 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.543 -20.229 -5.888 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.792 -19.285 -6.973 1.00 0.00 C ATOM 1839 C TRP B 644 -0.934 -20.012 -8.305 1.00 0.00 C ATOM 1840 O TRP B 644 -0.297 -21.039 -8.533 1.00 0.00 O ATOM 1841 CB TRP B 644 0.343 -18.262 -7.055 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.024 -17.030 -7.825 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.001 -16.875 -9.182 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.467 -15.780 -7.285 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.401 -15.604 -9.517 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.694 -14.913 -8.370 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.696 -15.311 -5.988 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.137 -13.605 -8.198 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.135 -14.012 -5.819 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.354 -13.172 -6.918 1.00 0.00 C ATOM 0 H TRP B 644 0.271 -20.008 -5.314 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.727 -18.765 -6.763 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.639 -17.976 -6.046 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.211 -18.729 -7.522 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.294 -17.639 -9.888 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.470 -15.235 -10.465 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.533 -15.952 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.304 -12.955 -9.044 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.312 -13.638 -4.822 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.701 -12.163 -6.752 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.775 -19.472 -9.182 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.000 -20.071 -10.492 1.00 0.00 C ATOM 1862 C GLN B 645 -1.094 -19.439 -11.543 1.00 0.00 C ATOM 1863 O GLN B 645 -0.152 -20.067 -12.024 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.465 -19.912 -10.903 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.446 -20.496 -9.899 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.561 -22.004 -10.004 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.342 -22.524 -10.801 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -3.782 -22.716 -9.198 1.00 0.00 N ATOM 0 H GLN B 645 -2.311 -18.622 -9.009 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.761 -21.132 -10.424 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.683 -18.852 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.617 -20.394 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.130 -20.229 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.428 -20.049 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.149 -22.244 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.817 -23.735 -9.224 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.387 -18.191 -11.897 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.588 -17.495 -12.889 1.00 0.00 C ATOM 1877 C GLY B 646 -1.289 -17.395 -14.229 1.00 0.00 C ATOM 1878 O GLY B 646 -0.941 -16.553 -15.058 1.00 0.00 O ATOM 0 H GLY B 646 -2.163 -17.650 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.357 -16.493 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.361 -18.015 -13.017 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.276 -18.257 -14.445 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.028 -18.262 -15.695 1.00 0.00 C ATOM 1884 C ASP B 647 -4.329 -17.480 -15.551 1.00 0.00 C ATOM 1885 O ASP B 647 -5.301 -17.732 -16.264 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.326 -19.699 -16.129 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.927 -19.963 -17.568 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.660 -19.524 -18.478 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.881 -20.610 -17.783 1.00 0.00 O ATOM 0 H ASP B 647 -2.574 -18.962 -13.771 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.419 -17.779 -16.459 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.795 -20.391 -15.475 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.391 -19.899 -16.007 1.00 0.00 H new ATOM 1893 N THR B 648 -4.342 -16.529 -14.622 1.00 0.00 N ATOM 1894 CA THR B 648 -5.525 -15.712 -14.381 1.00 0.00 C ATOM 1895 C THR B 648 -5.229 -14.235 -14.616 1.00 0.00 C ATOM 1896 O THR B 648 -6.106 -13.473 -15.022 1.00 0.00 O ATOM 1897 CB THR B 648 -6.053 -15.896 -12.946 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.967 -15.838 -12.014 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.781 -17.224 -12.804 1.00 0.00 C ATOM 0 H THR B 648 -3.546 -16.306 -14.024 1.00 0.00 H new ATOM 0 HA THR B 648 -6.288 -16.044 -15.085 1.00 0.00 H new ATOM 0 HB THR B 648 -6.756 -15.091 -12.734 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.100 -16.511 -11.314 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.145 -17.332 -11.782 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.624 -17.252 -13.494 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.096 -18.041 -13.033 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.987 -13.837 -14.360 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.597 -12.452 -14.550 1.00 0.00 C ATOM 1909 C GLY B 649 -2.207 -12.161 -14.020 1.00 0.00 C ATOM 1910 O GLY B 649 -1.211 -12.425 -14.695 1.00 0.00 O ATOM 0 H GLY B 649 -3.243 -14.449 -14.024 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.635 -12.210 -15.612 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.316 -11.804 -14.049 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.139 -11.616 -12.811 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.861 -11.290 -12.191 1.00 0.00 C ATOM 1916 C ILE B 650 -0.144 -12.549 -11.712 1.00 0.00 C ATOM 1917 O ILE B 650 -0.775 -13.494 -11.239 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.040 -10.331 -10.999 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.716 -9.036 -11.456 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.304 -10.034 -10.351 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.911 -8.032 -10.342 1.00 0.00 C ATOM 0 H ILE B 650 -2.954 -11.391 -12.241 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.258 -10.799 -12.955 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.679 -10.811 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.116 -8.581 -12.244 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.686 -9.276 -11.892 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.161 -9.355 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.750 -10.963 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.966 -9.571 -11.083 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.395 -7.139 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.536 -8.469 -9.564 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.942 -7.763 -9.921 1.00 0.00 H new ATOM 1932 N THR B 651 1.179 -12.554 -11.838 1.00 0.00 N ATOM 1933 CA THR B 651 1.982 -13.695 -11.419 1.00 0.00 C ATOM 1934 C THR B 651 2.565 -13.476 -10.028 1.00 0.00 C ATOM 1935 O THR B 651 2.458 -12.386 -9.464 1.00 0.00 O ATOM 1936 CB THR B 651 3.133 -13.966 -12.407 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.869 -13.317 -13.656 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.309 -15.460 -12.635 1.00 0.00 C ATOM 0 H THR B 651 1.717 -11.780 -12.227 1.00 0.00 H new ATOM 0 HA THR B 651 1.317 -14.559 -11.400 1.00 0.00 H new ATOM 0 HB THR B 651 4.053 -13.568 -11.978 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.606 -13.492 -14.278 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.127 -15.627 -13.336 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.537 -15.948 -11.688 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.389 -15.876 -13.045 1.00 0.00 H new ATOM 1946 N TYR B 652 3.180 -14.517 -9.479 1.00 0.00 N ATOM 1947 CA TYR B 652 3.779 -14.438 -8.151 1.00 0.00 C ATOM 1948 C TYR B 652 4.937 -13.446 -8.133 1.00 0.00 C ATOM 1949 O TYR B 652 5.118 -12.704 -7.168 1.00 0.00 O ATOM 1950 CB TYR B 652 4.267 -15.818 -7.707 1.00 0.00 C ATOM 1951 CG TYR B 652 5.348 -16.392 -8.594 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.025 -17.146 -9.716 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.692 -16.182 -8.312 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.008 -17.674 -10.530 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.682 -16.704 -9.121 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.336 -17.449 -10.228 1.00 0.00 C ATOM 1957 OH TYR B 652 8.319 -17.973 -11.037 1.00 0.00 O ATOM 0 H TYR B 652 3.277 -15.426 -9.932 1.00 0.00 H new ATOM 0 HA TYR B 652 3.016 -14.088 -7.456 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.644 -15.750 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.421 -16.505 -7.689 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.987 -17.322 -9.956 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.967 -15.600 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.739 -18.259 -11.397 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.722 -16.529 -8.888 1.00 0.00 H new ATOM 0 HH TYR B 652 9.199 -17.722 -10.687 1.00 0.00 H new ATOM 1966 N GLN B 653 5.718 -13.438 -9.209 1.00 0.00 N ATOM 1967 CA GLN B 653 6.859 -12.537 -9.317 1.00 0.00 C ATOM 1968 C GLN B 653 6.400 -11.106 -9.572 1.00 0.00 C ATOM 1969 O GLN B 653 6.942 -10.159 -9.003 1.00 0.00 O ATOM 1970 CB GLN B 653 7.791 -12.994 -10.441 1.00 0.00 C ATOM 1971 CG GLN B 653 7.115 -13.067 -11.801 1.00 0.00 C ATOM 1972 CD GLN B 653 8.024 -13.630 -12.875 1.00 0.00 C ATOM 1973 OE1 GLN B 653 9.010 -14.305 -12.579 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.696 -13.355 -14.132 1.00 0.00 N ATOM 0 H GLN B 653 5.581 -14.045 -10.017 1.00 0.00 H new ATOM 0 HA GLN B 653 7.401 -12.562 -8.372 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.637 -12.309 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.193 -13.976 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.221 -13.686 -11.725 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.788 -12.069 -12.094 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.870 -12.791 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.270 -13.707 -14.898 1.00 0.00 H new ATOM 1981 N ALA B 654 5.397 -10.955 -10.431 1.00 0.00 N ATOM 1982 CA ALA B 654 4.864 -9.639 -10.761 1.00 0.00 C ATOM 1983 C ALA B 654 4.131 -9.030 -9.570 1.00 0.00 C ATOM 1984 O ALA B 654 4.293 -7.847 -9.268 1.00 0.00 O ATOM 1985 CB ALA B 654 3.937 -9.730 -11.963 1.00 0.00 C ATOM 0 H ALA B 654 4.937 -11.728 -10.911 1.00 0.00 H new ATOM 0 HA ALA B 654 5.701 -8.988 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.547 -8.740 -12.197 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.490 -10.115 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.109 -10.401 -11.734 1.00 0.00 H new ATOM 1991 N TRP B 655 3.324 -9.844 -8.899 1.00 0.00 N ATOM 1992 CA TRP B 655 2.566 -9.384 -7.741 1.00 0.00 C ATOM 1993 C TRP B 655 3.499 -8.915 -6.630 1.00 0.00 C ATOM 1994 O TRP B 655 3.263 -7.881 -6.006 1.00 0.00 O ATOM 1995 CB TRP B 655 1.659 -10.503 -7.223 1.00 0.00 C ATOM 1996 CG TRP B 655 0.659 -10.035 -6.210 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.671 -9.803 -6.417 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.909 -9.740 -4.832 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.262 -9.382 -5.251 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.314 -9.336 -4.263 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.048 -9.780 -4.022 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.428 -8.973 -2.923 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.933 -9.420 -2.693 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.701 -9.022 -2.154 1.00 0.00 C ATOM 0 H TRP B 655 3.178 -10.825 -9.137 1.00 0.00 H new ATOM 0 HA TRP B 655 1.950 -8.540 -8.053 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.131 -10.952 -8.064 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.276 -11.285 -6.780 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.183 -9.932 -7.359 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.247 -9.142 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.001 -10.087 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.375 -8.664 -2.506 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.807 -9.446 -2.059 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.643 -8.749 -1.111 1.00 0.00 H new ATOM 2014 N GLN B 656 4.557 -9.683 -6.389 1.00 0.00 N ATOM 2015 CA GLN B 656 5.525 -9.343 -5.352 1.00 0.00 C ATOM 2016 C GLN B 656 6.041 -7.920 -5.532 1.00 0.00 C ATOM 2017 O GLN B 656 5.950 -7.096 -4.623 1.00 0.00 O ATOM 2018 CB GLN B 656 6.695 -10.329 -5.374 1.00 0.00 C ATOM 2019 CG GLN B 656 6.369 -11.675 -4.746 1.00 0.00 C ATOM 2020 CD GLN B 656 7.048 -11.872 -3.405 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.300 -11.667 -2.327 1.00 0.00 O flip ATOM 2022 NE2 GLN B 656 8.231 -12.205 -3.338 1.00 0.00 N flip ATOM 0 H GLN B 656 4.766 -10.543 -6.896 1.00 0.00 H new ATOM 0 HA GLN B 656 5.022 -9.407 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.008 -10.485 -6.406 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.541 -9.887 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.290 -11.761 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.674 -12.472 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.769 -12.352 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.674 -12.334 -2.428 1.00 0.00 H new ATOM 2029 N ALA B 657 6.582 -7.638 -6.713 1.00 0.00 N ATOM 2030 CA ALA B 657 7.111 -6.313 -7.013 1.00 0.00 C ATOM 2031 C ALA B 657 5.992 -5.280 -7.090 1.00 0.00 C ATOM 2032 O ALA B 657 6.132 -4.164 -6.589 1.00 0.00 O ATOM 2033 CB ALA B 657 7.895 -6.341 -8.317 1.00 0.00 C ATOM 0 H ALA B 657 6.665 -8.309 -7.477 1.00 0.00 H new ATOM 0 HA ALA B 657 7.782 -6.025 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.284 -5.345 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.724 -7.043 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.239 -6.655 -9.129 1.00 0.00 H new ATOM 2039 N GLN B 658 4.884 -5.658 -7.719 1.00 0.00 N ATOM 2040 CA GLN B 658 3.743 -4.763 -7.862 1.00 0.00 C ATOM 2041 C GLN B 658 3.267 -4.266 -6.501 1.00 0.00 C ATOM 2042 O GLN B 658 2.983 -3.081 -6.326 1.00 0.00 O ATOM 2043 CB GLN B 658 2.598 -5.473 -8.587 1.00 0.00 C ATOM 2044 CG GLN B 658 2.655 -5.332 -10.099 1.00 0.00 C ATOM 2045 CD GLN B 658 1.399 -5.836 -10.780 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.475 -5.069 -11.053 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.357 -7.134 -11.061 1.00 0.00 N ATOM 0 H GLN B 658 4.753 -6.579 -8.138 1.00 0.00 H new ATOM 0 HA GLN B 658 4.060 -3.903 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.616 -6.532 -8.328 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.649 -5.074 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.808 -4.284 -10.357 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.516 -5.882 -10.479 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.145 -7.734 -10.817 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.537 -7.530 -11.520 1.00 0.00 H new ATOM 2054 N TRP B 659 3.184 -5.179 -5.540 1.00 0.00 N ATOM 2055 CA TRP B 659 2.743 -4.833 -4.193 1.00 0.00 C ATOM 2056 C TRP B 659 3.724 -3.874 -3.528 1.00 0.00 C ATOM 2057 O TRP B 659 3.347 -2.787 -3.095 1.00 0.00 O ATOM 2058 CB TRP B 659 2.589 -6.096 -3.344 1.00 0.00 C ATOM 2059 CG TRP B 659 1.969 -5.840 -2.004 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.623 -5.693 -0.814 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.574 -5.701 -1.718 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.718 -5.472 0.196 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.453 -5.472 -0.333 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.586 -5.747 -2.496 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.780 -5.289 0.287 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.810 -5.566 -1.880 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.899 -5.339 -0.500 1.00 0.00 C ATOM 0 H TRP B 659 3.416 -6.164 -5.668 1.00 0.00 H new ATOM 0 HA TRP B 659 1.776 -4.336 -4.271 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.978 -6.818 -3.887 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.569 -6.551 -3.202 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.694 -5.743 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.950 -5.331 1.179 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.527 -5.921 -3.560 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.851 -5.114 1.350 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.713 -5.600 -2.472 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.870 -5.201 -0.048 1.00 0.00 H new ATOM 2077 N ASN B 660 4.985 -4.286 -3.450 1.00 0.00 N ATOM 2078 CA ASN B 660 6.021 -3.463 -2.837 1.00 0.00 C ATOM 2079 C ASN B 660 6.074 -2.082 -3.485 1.00 0.00 C ATOM 2080 O ASN B 660 6.045 -1.062 -2.797 1.00 0.00 O ATOM 2081 CB ASN B 660 7.385 -4.147 -2.957 1.00 0.00 C ATOM 2082 CG ASN B 660 8.102 -4.244 -1.625 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.005 -5.253 -0.927 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.829 -3.191 -1.266 1.00 0.00 N ATOM 0 H ASN B 660 5.314 -5.184 -3.803 1.00 0.00 H new ATOM 0 HA ASN B 660 5.775 -3.341 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.252 -5.148 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN B 660 8.006 -3.593 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.335 -3.199 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.881 -2.375 -1.876 1.00 0.00 H new ATOM 2090 N GLN B 661 6.150 -2.060 -4.812 1.00 0.00 N ATOM 2091 CA GLN B 661 6.206 -0.805 -5.552 1.00 0.00 C ATOM 2092 C GLN B 661 4.968 0.043 -5.281 1.00 0.00 C ATOM 2093 O GLN B 661 5.069 1.243 -5.024 1.00 0.00 O ATOM 2094 CB GLN B 661 6.333 -1.079 -7.052 1.00 0.00 C ATOM 2095 CG GLN B 661 7.713 -1.563 -7.467 1.00 0.00 C ATOM 2096 CD GLN B 661 8.596 -0.442 -7.975 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.649 -0.172 -9.175 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.297 0.220 -7.061 1.00 0.00 N ATOM 0 H GLN B 661 6.174 -2.896 -5.396 1.00 0.00 H new ATOM 0 HA GLN B 661 7.083 -0.252 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.593 -1.826 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.097 -0.167 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN B 661 8.196 -2.044 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.610 -2.320 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.223 -0.037 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.909 0.985 -7.344 1.00 0.00 H new ATOM 2105 N ALA B 662 3.800 -0.588 -5.340 1.00 0.00 N ATOM 2106 CA ALA B 662 2.543 0.109 -5.099 1.00 0.00 C ATOM 2107 C ALA B 662 2.513 0.721 -3.703 1.00 0.00 C ATOM 2108 O ALA B 662 2.279 1.919 -3.546 1.00 0.00 O ATOM 2109 CB ALA B 662 1.369 -0.841 -5.286 1.00 0.00 C ATOM 0 H ALA B 662 3.698 -1.580 -5.553 1.00 0.00 H new ATOM 0 HA ALA B 662 2.461 0.919 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.436 -0.307 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.372 -1.227 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.456 -1.670 -4.584 1.00 0.00 H new ATOM 2115 N MET B 663 2.750 -0.109 -2.693 1.00 0.00 N ATOM 2116 CA MET B 663 2.752 0.353 -1.309 1.00 0.00 C ATOM 2117 C MET B 663 3.715 1.521 -1.127 1.00 0.00 C ATOM 2118 O MET B 663 3.397 2.498 -0.449 1.00 0.00 O ATOM 2119 CB MET B 663 3.134 -0.790 -0.368 1.00 0.00 C ATOM 2120 CG MET B 663 1.957 -1.361 0.405 1.00 0.00 C ATOM 2121 SD MET B 663 1.975 -0.893 2.146 1.00 0.00 S ATOM 2122 CE MET B 663 0.227 -0.958 2.533 1.00 0.00 C ATOM 0 H MET B 663 2.943 -1.104 -2.806 1.00 0.00 H new ATOM 0 HA MET B 663 1.746 0.694 -1.065 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.598 -1.588 -0.948 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.883 -0.433 0.339 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.028 -1.017 -0.050 1.00 0.00 H new ATOM 0 HG3 MET B 663 1.968 -2.448 0.325 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.113 0.028 2.849 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.330 -1.267 1.649 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.059 -1.675 3.337 1.00 0.00 H new ATOM 2130 N GLU B 664 4.892 1.414 -1.735 1.00 0.00 N ATOM 2131 CA GLU B 664 5.901 2.461 -1.637 1.00 0.00 C ATOM 2132 C GLU B 664 5.313 3.819 -2.012 1.00 0.00 C ATOM 2133 O GLU B 664 5.375 4.771 -1.233 1.00 0.00 O ATOM 2134 CB GLU B 664 7.091 2.141 -2.545 1.00 0.00 C ATOM 2135 CG GLU B 664 8.315 2.998 -2.269 1.00 0.00 C ATOM 2136 CD GLU B 664 9.608 2.209 -2.341 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.938 1.518 -1.356 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.289 2.284 -3.385 1.00 0.00 O ATOM 0 H GLU B 664 5.170 0.612 -2.301 1.00 0.00 H new ATOM 0 HA GLU B 664 6.243 2.504 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.358 1.091 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.791 2.275 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.352 3.815 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.223 3.448 -1.281 1.00 0.00 H new ATOM 2143 N ASP B 665 4.743 3.900 -3.209 1.00 0.00 N ATOM 2144 CA ASP B 665 4.143 5.141 -3.688 1.00 0.00 C ATOM 2145 C ASP B 665 2.866 5.460 -2.916 1.00 0.00 C ATOM 2146 O ASP B 665 2.494 6.624 -2.766 1.00 0.00 O ATOM 2147 CB ASP B 665 3.839 5.041 -5.183 1.00 0.00 C ATOM 2148 CG ASP B 665 3.392 6.364 -5.773 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.930 7.410 -5.357 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.501 6.353 -6.649 1.00 0.00 O ATOM 0 H ASP B 665 4.683 3.122 -3.866 1.00 0.00 H new ATOM 0 HA ASP B 665 4.857 5.948 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.728 4.694 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.062 4.294 -5.344 1.00 0.00 H new ATOM 2154 N LEU B 666 2.199 4.419 -2.430 1.00 0.00 N ATOM 2155 CA LEU B 666 0.963 4.588 -1.674 1.00 0.00 C ATOM 2156 C LEU B 666 1.227 5.297 -0.349 1.00 0.00 C ATOM 2157 O LEU B 666 0.419 6.107 0.105 1.00 0.00 O ATOM 2158 CB LEU B 666 0.309 3.229 -1.417 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.227 3.000 -0.004 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.434 3.886 0.260 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.586 1.534 0.198 1.00 0.00 C ATOM 0 H LEU B 666 2.493 3.449 -2.546 1.00 0.00 H new ATOM 0 HA LEU B 666 0.286 5.204 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.514 3.105 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.038 2.449 -1.638 1.00 0.00 H new ATOM 0 HG LEU B 666 0.555 3.265 0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.801 3.709 1.271 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.147 4.932 0.157 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.220 3.653 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.966 1.388 1.209 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.351 1.244 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.302 0.919 0.052 1.00 0.00 H new ATOM 2172 N VAL B 667 2.364 4.989 0.264 1.00 0.00 N ATOM 2173 CA VAL B 667 2.737 5.598 1.536 1.00 0.00 C ATOM 2174 C VAL B 667 3.167 7.048 1.344 1.00 0.00 C ATOM 2175 O VAL B 667 2.674 7.948 2.025 1.00 0.00 O ATOM 2176 CB VAL B 667 3.879 4.821 2.217 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.173 5.401 3.592 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.532 3.343 2.315 1.00 0.00 C ATOM 0 H VAL B 667 3.044 4.321 -0.099 1.00 0.00 H new ATOM 0 HA VAL B 667 1.854 5.565 2.175 1.00 0.00 H new ATOM 0 HB VAL B 667 4.778 4.920 1.608 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.983 4.839 4.058 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.467 6.446 3.491 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.280 5.334 4.214 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.350 2.809 2.799 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.622 3.221 2.902 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.376 2.939 1.315 1.00 0.00 H new ATOM 2188 N ARG B 668 4.090 7.267 0.413 1.00 0.00 N ATOM 2189 CA ARG B 668 4.587 8.609 0.132 1.00 0.00 C ATOM 2190 C ARG B 668 3.447 9.540 -0.265 1.00 0.00 C ATOM 2191 O ARG B 668 3.495 10.743 -0.007 1.00 0.00 O ATOM 2192 CB ARG B 668 5.635 8.564 -0.982 1.00 0.00 C ATOM 2193 CG ARG B 668 6.822 7.669 -0.667 1.00 0.00 C ATOM 2194 CD ARG B 668 7.829 7.657 -1.807 1.00 0.00 C ATOM 2195 NE ARG B 668 7.348 6.889 -2.952 1.00 0.00 N ATOM 2196 CZ ARG B 668 7.823 7.033 -4.184 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.786 7.911 -4.429 1.00 0.00 N ATOM 2198 NH2 ARG B 668 7.334 6.297 -5.175 1.00 0.00 N ATOM 0 H ARG B 668 4.508 6.533 -0.159 1.00 0.00 H new ATOM 0 HA ARG B 668 5.048 8.996 1.041 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.162 8.216 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.994 9.575 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.308 8.015 0.245 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.473 6.654 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.037 8.681 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.770 7.234 -1.456 1.00 0.00 H new ATOM 0 HE ARG B 668 6.607 6.205 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.164 8.478 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG B 668 9.149 8.019 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG B 668 6.593 5.621 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG B 668 7.699 6.408 -6.121 1.00 0.00 H new ATOM 2209 N ALA B 669 2.421 8.976 -0.893 1.00 0.00 N ATOM 2210 CA ALA B 669 1.266 9.755 -1.325 1.00 0.00 C ATOM 2211 C ALA B 669 0.639 10.502 -0.152 1.00 0.00 C ATOM 2212 O ALA B 669 0.010 11.545 -0.333 1.00 0.00 O ATOM 2213 CB ALA B 669 0.237 8.851 -1.988 1.00 0.00 C ATOM 0 H ALA B 669 2.365 7.982 -1.114 1.00 0.00 H new ATOM 0 HA ALA B 669 1.607 10.492 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.619 9.446 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.684 8.367 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.092 8.092 -1.278 1.00 0.00 H new ATOM 2219 N TYR B 670 0.815 9.963 1.049 1.00 0.00 N ATOM 2220 CA TYR B 670 0.263 10.577 2.250 1.00 0.00 C ATOM 2221 C TYR B 670 1.210 11.639 2.802 1.00 0.00 C ATOM 2222 O TYR B 670 0.821 12.790 3.005 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.005 9.513 3.316 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.801 10.024 4.494 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -0.175 10.662 5.558 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.181 9.868 4.545 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.899 11.130 6.638 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.913 10.334 5.620 1.00 0.00 C ATOM 2229 CZ TYR B 670 -2.267 10.964 6.664 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.992 11.429 7.737 1.00 0.00 O ATOM 0 H TYR B 670 1.336 9.102 1.217 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.678 11.058 1.982 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.541 8.681 2.860 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.947 9.121 3.674 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.897 10.794 5.541 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.690 9.374 3.730 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -0.396 11.623 7.457 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.985 10.206 5.643 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.942 11.233 7.599 1.00 0.00 H new ATOM 2239 N HIS B 671 2.455 11.244 3.044 1.00 0.00 N ATOM 2240 CA HIS B 671 3.460 12.161 3.572 1.00 0.00 C ATOM 2241 C HIS B 671 3.602 13.386 2.675 1.00 0.00 C ATOM 2242 O HIS B 671 4.010 14.455 3.127 1.00 0.00 O ATOM 2243 CB HIS B 671 4.808 11.452 3.705 1.00 0.00 C ATOM 2244 CG HIS B 671 5.846 12.267 4.415 1.00 0.00 C ATOM 2245 ND1 HIS B 671 7.159 12.338 4.003 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.755 13.050 5.516 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.832 13.127 4.820 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.005 13.572 5.747 1.00 0.00 N ATOM 0 H HIS B 671 2.793 10.295 2.883 1.00 0.00 H new ATOM 0 HA HIS B 671 3.133 12.491 4.558 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.665 10.514 4.242 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.175 11.198 2.711 1.00 0.00 H new ATOM 0 HD2 HIS B 671 4.866 13.230 6.103 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.882 13.368 4.743 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.253 14.201 6.511 1.00 0.00 H new ATOM 2255 N ALA B 672 3.264 13.223 1.399 1.00 0.00 N ATOM 2256 CA ALA B 672 3.352 14.316 0.439 1.00 0.00 C ATOM 2257 C ALA B 672 2.608 15.549 0.941 1.00 0.00 C ATOM 2258 O ALA B 672 3.081 16.675 0.787 1.00 0.00 O ATOM 2259 CB ALA B 672 2.802 13.878 -0.910 1.00 0.00 C ATOM 0 H ALA B 672 2.927 12.344 1.007 1.00 0.00 H new ATOM 0 HA ALA B 672 4.403 14.581 0.322 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.874 14.704 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.380 13.031 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.758 13.585 -0.799 1.00 0.00 H new ATOM 2265 N MET B 673 1.444 15.329 1.541 1.00 0.00 N ATOM 2266 CA MET B 673 0.635 16.423 2.065 1.00 0.00 C ATOM 2267 C MET B 673 1.394 17.191 3.142 1.00 0.00 C ATOM 2268 O MET B 673 1.287 18.414 3.237 1.00 0.00 O ATOM 2269 CB MET B 673 -0.680 15.887 2.635 1.00 0.00 C ATOM 2270 CG MET B 673 -1.863 16.813 2.406 1.00 0.00 C ATOM 2271 SD MET B 673 -3.444 15.948 2.466 1.00 0.00 S ATOM 2272 CE MET B 673 -3.218 14.929 3.922 1.00 0.00 C ATOM 0 H MET B 673 1.039 14.403 1.677 1.00 0.00 H new ATOM 0 HA MET B 673 0.414 17.105 1.244 1.00 0.00 H new ATOM 0 HB2 MET B 673 -0.894 14.918 2.183 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.561 15.720 3.706 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.855 17.600 3.160 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.756 17.300 1.437 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.187 14.569 4.268 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.582 14.079 3.676 1.00 0.00 H new ATOM 0 HE3 MET B 673 -2.748 15.518 4.709 1.00 0.00 H new