USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 836 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 110 SER OG : rot 86:sc= 1.1 USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0.00702 USER MOD Set 2.1: A 49 TYR OH : rot 30:sc= -0.933 USER MOD Set 2.2: A 109 TYR OH : rot 30:sc= -0.709 USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -0.747 F(o=-13!,f=-12) USER MOD Set 3.2: A 98 HIS : no HE2:sc= -12.3! C(o=-12!,f=-14!) USER MOD Set 3.3: A 106 TYR OH : rot 33:sc= 1.21 USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= -0.0115 (180deg=-0.235) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 33 CYS SG : rot -147:sc= -4.83! USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.897 (180deg=-2.08!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 60:sc= -0.746 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.178 (180deg=-0.641) USER MOD Single : A 56 THR OG1 : rot 109:sc= 0.372 USER MOD Single : A 59 GLN : amide:sc= -2.23 K(o=-2.2,f=-5.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc=-0.00741 (180deg=-0.147) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.306 (180deg=-1.44) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0626) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 87 THR OG1 : rot 180:sc= -2.77! USER MOD Single : A 91 MET CE :methyl -156:sc= -0.395 (180deg=-1.52) USER MOD Single : A 92 SER OG : rot 160:sc= -0.54 USER MOD Single : A 95 TYR OH : rot 116:sc= 0.34 USER MOD Single : A 96 GLN : amide:sc= -1.34 K(o=-1.3,f=-2) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00748) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -20:sc= 0.102! USER MOD Single : A 113 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.525 8.206 -12.442 1.00 70.45 N ATOM 225 CA ARG A 14 13.650 7.819 -11.608 1.00 62.24 C ATOM 226 C ARG A 14 14.949 7.862 -12.416 1.00 20.31 C ATOM 227 O ARG A 14 15.930 8.469 -11.989 1.00 31.32 O ATOM 228 CB ARG A 14 13.457 6.411 -11.041 1.00 12.21 C ATOM 229 CG ARG A 14 12.103 6.284 -10.339 1.00 4.44 C ATOM 230 CD ARG A 14 11.862 7.465 -9.396 1.00 22.14 C ATOM 231 NE ARG A 14 13.007 7.616 -8.470 1.00 65.34 N ATOM 232 CZ ARG A 14 13.033 8.478 -7.432 1.00 42.11 C ATOM 233 NH1 ARG A 14 11.974 9.276 -7.178 1.00 22.35 N ATOM 234 NH2 ARG A 14 14.109 8.530 -6.670 1.00 24.25 N ATOM 0 HA ARG A 14 13.708 8.527 -10.781 1.00 62.24 H new ATOM 0 HB2 ARG A 14 13.524 5.679 -11.846 1.00 12.21 H new ATOM 0 HB3 ARG A 14 14.258 6.185 -10.337 1.00 12.21 H new ATOM 0 HG2 ARG A 14 11.307 6.239 -11.082 1.00 4.44 H new ATOM 0 HG3 ARG A 14 12.067 5.351 -9.776 1.00 4.44 H new ATOM 0 HD2 ARG A 14 11.727 8.380 -9.973 1.00 22.14 H new ATOM 0 HD3 ARG A 14 10.944 7.307 -8.830 1.00 22.14 H new ATOM 0 HE ARG A 14 13.828 7.032 -8.626 1.00 65.34 H new ATOM 0 HH11 ARG A 14 11.147 9.230 -7.773 1.00 22.35 H new ATOM 0 HH12 ARG A 14 12.001 9.925 -6.391 1.00 22.35 H new ATOM 0 HH21 ARG A 14 14.905 7.924 -6.870 1.00 24.25 H new ATOM 0 HH22 ARG A 14 14.145 9.176 -5.881 1.00 24.25 H new ATOM 247 N LYS A 15 14.914 7.209 -13.569 1.00 15.44 N ATOM 248 CA LYS A 15 16.076 7.165 -14.440 1.00 13.53 C ATOM 249 C LYS A 15 16.691 8.563 -14.533 1.00 52.32 C ATOM 250 O LYS A 15 17.909 8.716 -14.453 1.00 73.03 O ATOM 251 CB LYS A 15 15.705 6.565 -15.797 1.00 63.42 C ATOM 252 CG LYS A 15 16.776 6.875 -16.845 1.00 1.51 C ATOM 253 CD LYS A 15 16.747 5.850 -17.980 1.00 73.00 C ATOM 254 CE LYS A 15 17.689 6.259 -19.113 1.00 42.55 C ATOM 255 NZ LYS A 15 17.157 7.441 -19.828 1.00 44.33 N ATOM 0 H LYS A 15 14.099 6.706 -13.920 1.00 15.44 H new ATOM 0 HA LYS A 15 16.840 6.507 -14.024 1.00 13.53 H new ATOM 0 HB2 LYS A 15 15.587 5.486 -15.701 1.00 63.42 H new ATOM 0 HB3 LYS A 15 14.745 6.963 -16.124 1.00 63.42 H new ATOM 0 HG2 LYS A 15 16.616 7.875 -17.249 1.00 1.51 H new ATOM 0 HG3 LYS A 15 17.760 6.875 -16.376 1.00 1.51 H new ATOM 0 HD2 LYS A 15 17.036 4.871 -17.598 1.00 73.00 H new ATOM 0 HD3 LYS A 15 15.731 5.755 -18.363 1.00 73.00 H new ATOM 0 HE2 LYS A 15 18.676 6.484 -18.710 1.00 42.55 H new ATOM 0 HE3 LYS A 15 17.811 5.430 -19.810 1.00 42.55 H new ATOM 0 HZ1 LYS A 15 17.657 7.553 -20.733 1.00 44.33 H new ATOM 0 HZ2 LYS A 15 16.141 7.310 -20.007 1.00 44.33 H new ATOM 0 HZ3 LYS A 15 17.299 8.291 -19.246 1.00 44.33 H new ATOM 268 N ALA A 16 15.820 9.548 -14.701 1.00 24.10 N ATOM 269 CA ALA A 16 16.263 10.928 -14.806 1.00 53.01 C ATOM 270 C ALA A 16 16.897 11.358 -13.482 1.00 1.01 C ATOM 271 O ALA A 16 18.070 11.727 -13.442 1.00 71.41 O ATOM 272 CB ALA A 16 15.080 11.815 -15.201 1.00 61.32 C ATOM 0 H ALA A 16 14.811 9.418 -14.767 1.00 24.10 H new ATOM 0 HA ALA A 16 17.021 11.030 -15.583 1.00 53.01 H new ATOM 0 HB1 ALA A 16 15.412 12.850 -15.280 1.00 61.32 H new ATOM 0 HB2 ALA A 16 14.684 11.487 -16.162 1.00 61.32 H new ATOM 0 HB3 ALA A 16 14.300 11.741 -14.443 1.00 61.32 H new ATOM 278 N GLU A 17 16.094 11.297 -12.430 1.00 73.52 N ATOM 279 CA GLU A 17 16.562 11.675 -11.108 1.00 32.13 C ATOM 280 C GLU A 17 18.000 11.196 -10.896 1.00 54.44 C ATOM 281 O GLU A 17 18.764 11.822 -10.163 1.00 62.52 O ATOM 282 CB GLU A 17 15.636 11.126 -10.020 1.00 71.14 C ATOM 283 CG GLU A 17 15.465 12.136 -8.884 1.00 54.44 C ATOM 284 CD GLU A 17 14.216 12.994 -9.097 1.00 54.25 C ATOM 285 OE1 GLU A 17 13.735 13.118 -10.234 1.00 3.41 O ATOM 286 OE2 GLU A 17 13.742 13.542 -8.030 1.00 11.10 O ATOM 0 H GLU A 17 15.122 10.991 -12.467 1.00 73.52 H new ATOM 0 HA GLU A 17 16.548 12.763 -11.037 1.00 32.13 H new ATOM 0 HB2 GLU A 17 14.663 10.890 -10.451 1.00 71.14 H new ATOM 0 HB3 GLU A 17 16.044 10.195 -9.626 1.00 71.14 H new ATOM 0 HG2 GLU A 17 15.391 11.609 -7.932 1.00 54.44 H new ATOM 0 HG3 GLU A 17 16.345 12.776 -8.826 1.00 54.44 H new ATOM 294 N SER A 18 18.324 10.092 -11.552 1.00 62.12 N ATOM 295 CA SER A 18 19.657 9.522 -11.445 1.00 53.44 C ATOM 296 C SER A 18 20.610 10.237 -12.406 1.00 33.11 C ATOM 297 O SER A 18 21.679 10.691 -12.002 1.00 22.41 O ATOM 298 CB SER A 18 19.639 8.020 -11.735 1.00 55.34 C ATOM 299 OG SER A 18 20.953 7.477 -11.821 1.00 43.22 O ATOM 0 H SER A 18 17.687 9.577 -12.160 1.00 62.12 H new ATOM 0 HA SER A 18 20.008 9.663 -10.423 1.00 53.44 H new ATOM 0 HB2 SER A 18 19.085 7.506 -10.950 1.00 55.34 H new ATOM 0 HB3 SER A 18 19.110 7.838 -12.670 1.00 55.34 H new ATOM 0 HG SER A 18 20.898 6.516 -12.006 1.00 43.22 H new ATOM 305 N GLU A 19 20.187 10.315 -13.659 1.00 61.42 N ATOM 306 CA GLU A 19 20.989 10.966 -14.680 1.00 44.25 C ATOM 307 C GLU A 19 21.449 12.343 -14.196 1.00 61.13 C ATOM 308 O GLU A 19 22.486 12.843 -14.630 1.00 32.02 O ATOM 309 CB GLU A 19 20.217 11.078 -15.996 1.00 70.44 C ATOM 310 CG GLU A 19 19.865 9.693 -16.545 1.00 4.13 C ATOM 311 CD GLU A 19 20.979 9.163 -17.451 1.00 12.34 C ATOM 312 OE1 GLU A 19 21.393 8.003 -17.310 1.00 5.25 O ATOM 313 OE2 GLU A 19 21.414 10.003 -18.327 1.00 44.34 O ATOM 0 H GLU A 19 19.299 9.938 -13.990 1.00 61.42 H new ATOM 0 HA GLU A 19 21.871 10.354 -14.866 1.00 44.25 H new ATOM 0 HB2 GLU A 19 19.305 11.653 -15.839 1.00 70.44 H new ATOM 0 HB3 GLU A 19 20.815 11.622 -16.727 1.00 70.44 H new ATOM 0 HG2 GLU A 19 19.703 9.001 -15.719 1.00 4.13 H new ATOM 0 HG3 GLU A 19 18.931 9.746 -17.104 1.00 4.13 H new ATOM 321 N ARG A 20 20.655 12.916 -13.304 1.00 41.51 N ATOM 322 CA ARG A 20 20.968 14.226 -12.756 1.00 74.44 C ATOM 323 C ARG A 20 21.985 14.097 -11.621 1.00 65.13 C ATOM 324 O ARG A 20 23.010 14.778 -11.621 1.00 71.34 O ATOM 325 CB ARG A 20 19.709 14.916 -12.228 1.00 12.05 C ATOM 326 CG ARG A 20 18.789 15.335 -13.377 1.00 22.55 C ATOM 327 CD ARG A 20 17.483 15.928 -12.845 1.00 30.00 C ATOM 328 NE ARG A 20 17.767 17.138 -12.042 1.00 12.13 N ATOM 329 CZ ARG A 20 16.957 17.608 -11.069 1.00 24.44 C ATOM 330 NH1 ARG A 20 15.805 16.971 -10.770 1.00 11.24 N ATOM 331 NH2 ARG A 20 17.310 18.698 -10.414 1.00 14.40 N ATOM 0 H ARG A 20 19.796 12.498 -12.947 1.00 41.51 H new ATOM 0 HA ARG A 20 21.390 14.830 -13.559 1.00 74.44 H new ATOM 0 HB2 ARG A 20 19.175 14.243 -11.557 1.00 12.05 H new ATOM 0 HB3 ARG A 20 19.989 15.792 -11.643 1.00 12.05 H new ATOM 0 HG2 ARG A 20 19.296 16.068 -14.005 1.00 22.55 H new ATOM 0 HG3 ARG A 20 18.571 14.472 -14.006 1.00 22.55 H new ATOM 0 HD2 ARG A 20 16.823 16.179 -13.675 1.00 30.00 H new ATOM 0 HD3 ARG A 20 16.961 15.191 -12.235 1.00 30.00 H new ATOM 0 HE ARG A 20 18.628 17.649 -12.235 1.00 12.13 H new ATOM 0 HH11 ARG A 20 15.541 16.128 -11.280 1.00 11.24 H new ATOM 0 HH12 ARG A 20 15.199 17.332 -10.034 1.00 11.24 H new ATOM 0 HH21 ARG A 20 18.183 19.172 -10.646 1.00 14.40 H new ATOM 0 HH22 ARG A 20 16.710 19.067 -9.676 1.00 14.40 H new ATOM 344 N ILE A 21 21.668 13.219 -10.681 1.00 51.12 N ATOM 345 CA ILE A 21 22.542 12.993 -9.543 1.00 30.42 C ATOM 346 C ILE A 21 23.899 12.489 -10.039 1.00 53.03 C ATOM 347 O ILE A 21 24.893 12.562 -9.319 1.00 63.22 O ATOM 348 CB ILE A 21 21.873 12.060 -8.531 1.00 11.43 C ATOM 349 CG1 ILE A 21 20.840 12.814 -7.690 1.00 41.23 C ATOM 350 CG2 ILE A 21 22.916 11.356 -7.661 1.00 1.34 C ATOM 351 CD1 ILE A 21 19.913 11.841 -6.959 1.00 3.45 C ATOM 0 H ILE A 21 20.818 12.656 -10.684 1.00 51.12 H new ATOM 0 HA ILE A 21 22.723 13.927 -9.011 1.00 30.42 H new ATOM 0 HB ILE A 21 21.338 11.286 -9.082 1.00 11.43 H new ATOM 0 HG12 ILE A 21 21.349 13.450 -6.966 1.00 41.23 H new ATOM 0 HG13 ILE A 21 20.252 13.470 -8.332 1.00 41.23 H new ATOM 0 HG21 ILE A 21 22.414 10.699 -6.951 1.00 1.34 H new ATOM 0 HG22 ILE A 21 23.580 10.767 -8.294 1.00 1.34 H new ATOM 0 HG23 ILE A 21 23.499 12.100 -7.118 1.00 1.34 H new ATOM 0 HD11 ILE A 21 19.189 12.402 -6.369 1.00 3.45 H new ATOM 0 HD12 ILE A 21 19.387 11.223 -7.687 1.00 3.45 H new ATOM 0 HD13 ILE A 21 20.502 11.203 -6.300 1.00 3.45 H new ATOM 363 N ALA A 22 23.896 11.989 -11.266 1.00 54.54 N ATOM 364 CA ALA A 22 25.114 11.474 -11.868 1.00 31.03 C ATOM 365 C ALA A 22 25.879 12.624 -12.526 1.00 11.03 C ATOM 366 O ALA A 22 27.108 12.656 -12.492 1.00 0.43 O ATOM 367 CB ALA A 22 24.763 10.364 -12.860 1.00 62.42 C ATOM 0 H ALA A 22 23.069 11.930 -11.860 1.00 54.54 H new ATOM 0 HA ALA A 22 25.763 11.039 -11.108 1.00 31.03 H new ATOM 0 HB1 ALA A 22 25.677 9.978 -13.312 1.00 62.42 H new ATOM 0 HB2 ALA A 22 24.248 9.558 -12.337 1.00 62.42 H new ATOM 0 HB3 ALA A 22 24.114 10.764 -13.639 1.00 62.42 H new ATOM 373 N ASP A 23 25.120 13.540 -13.109 1.00 71.13 N ATOM 374 CA ASP A 23 25.711 14.689 -13.774 1.00 70.32 C ATOM 375 C ASP A 23 26.333 15.615 -12.727 1.00 32.43 C ATOM 376 O ASP A 23 27.290 16.331 -13.016 1.00 61.31 O ATOM 377 CB ASP A 23 24.654 15.485 -14.541 1.00 52.32 C ATOM 378 CG ASP A 23 25.199 16.371 -15.663 1.00 63.45 C ATOM 379 OD1 ASP A 23 25.221 15.973 -16.838 1.00 33.33 O ATOM 380 OD2 ASP A 23 25.621 17.530 -15.287 1.00 12.30 O ATOM 0 H ASP A 23 24.101 13.510 -13.135 1.00 71.13 H new ATOM 0 HA ASP A 23 26.464 14.324 -14.472 1.00 70.32 H new ATOM 0 HB2 ASP A 23 23.934 14.787 -14.967 1.00 52.32 H new ATOM 0 HB3 ASP A 23 24.110 16.112 -13.835 1.00 52.32 H new ATOM 386 N ARG A 24 25.763 15.570 -11.531 1.00 41.14 N ATOM 387 CA ARG A 24 26.250 16.396 -10.439 1.00 55.03 C ATOM 388 C ARG A 24 27.254 15.615 -9.589 1.00 74.24 C ATOM 389 O ARG A 24 28.341 16.110 -9.295 1.00 35.41 O ATOM 390 CB ARG A 24 25.097 16.868 -9.550 1.00 63.22 C ATOM 391 CG ARG A 24 25.418 18.219 -8.908 1.00 21.01 C ATOM 392 CD ARG A 24 26.883 18.285 -8.472 1.00 63.31 C ATOM 393 NE ARG A 24 27.102 19.467 -7.609 1.00 61.10 N ATOM 394 CZ ARG A 24 27.352 20.709 -8.076 1.00 22.24 C ATOM 395 NH1 ARG A 24 27.418 20.941 -9.404 1.00 15.41 N ATOM 396 NH2 ARG A 24 27.532 21.692 -7.214 1.00 1.23 N ATOM 0 H ARG A 24 24.969 14.975 -11.295 1.00 41.14 H new ATOM 0 HA ARG A 24 26.739 17.267 -10.874 1.00 55.03 H new ATOM 0 HB2 ARG A 24 24.186 16.950 -10.143 1.00 63.22 H new ATOM 0 HB3 ARG A 24 24.906 16.128 -8.773 1.00 63.22 H new ATOM 0 HG2 ARG A 24 25.209 19.021 -9.616 1.00 21.01 H new ATOM 0 HG3 ARG A 24 24.771 18.379 -8.046 1.00 21.01 H new ATOM 0 HD2 ARG A 24 27.152 17.376 -7.933 1.00 63.31 H new ATOM 0 HD3 ARG A 24 27.529 18.339 -9.348 1.00 63.31 H new ATOM 0 HE ARG A 24 27.062 19.335 -6.598 1.00 61.10 H new ATOM 0 HH11 ARG A 24 27.279 20.175 -10.063 1.00 15.41 H new ATOM 0 HH12 ARG A 24 27.607 21.882 -9.748 1.00 15.41 H new ATOM 0 HH21 ARG A 24 27.481 21.507 -6.212 1.00 1.23 H new ATOM 0 HH22 ARG A 24 27.722 22.636 -7.550 1.00 1.23 H new ATOM 409 N PHE A 25 26.854 14.407 -9.219 1.00 52.20 N ATOM 410 CA PHE A 25 27.705 13.553 -8.409 1.00 21.33 C ATOM 411 C PHE A 25 27.782 12.141 -8.995 1.00 3.53 C ATOM 412 O PHE A 25 27.093 11.234 -8.531 1.00 54.55 O ATOM 413 CB PHE A 25 27.072 13.481 -7.018 1.00 21.43 C ATOM 414 CG PHE A 25 26.363 14.767 -6.589 1.00 72.14 C ATOM 415 CD1 PHE A 25 27.087 15.819 -6.122 1.00 14.20 C ATOM 416 CD2 PHE A 25 25.009 14.858 -6.676 1.00 74.02 C ATOM 417 CE1 PHE A 25 26.428 17.013 -5.725 1.00 23.05 C ATOM 418 CE2 PHE A 25 24.350 16.052 -6.279 1.00 24.33 C ATOM 419 CZ PHE A 25 25.074 17.104 -5.811 1.00 41.03 C ATOM 0 H PHE A 25 25.952 14.000 -9.465 1.00 52.20 H new ATOM 0 HA PHE A 25 28.716 13.959 -8.376 1.00 21.33 H new ATOM 0 HB2 PHE A 25 26.356 12.660 -6.998 1.00 21.43 H new ATOM 0 HB3 PHE A 25 27.847 13.245 -6.289 1.00 21.43 H new ATOM 0 HD1 PHE A 25 28.162 15.747 -6.053 1.00 14.20 H new ATOM 0 HD2 PHE A 25 24.435 14.022 -7.047 1.00 74.02 H new ATOM 0 HE1 PHE A 25 27.003 17.849 -5.355 1.00 23.05 H new ATOM 0 HE2 PHE A 25 23.275 16.124 -6.349 1.00 24.33 H new ATOM 0 HZ PHE A 25 24.573 18.012 -5.508 1.00 41.03 H new ATOM 429 N PRO A 26 28.650 11.996 -10.032 1.00 1.42 N ATOM 430 CA PRO A 26 28.826 10.711 -10.686 1.00 5.11 C ATOM 431 C PRO A 26 29.653 9.762 -9.816 1.00 62.01 C ATOM 432 O PRO A 26 29.783 8.580 -10.131 1.00 42.11 O ATOM 433 CB PRO A 26 29.493 11.033 -12.013 1.00 44.42 C ATOM 434 CG PRO A 26 30.086 12.424 -11.855 1.00 53.42 C ATOM 435 CD PRO A 26 29.483 13.048 -10.607 1.00 3.30 C ATOM 0 HA PRO A 26 27.883 10.188 -10.846 1.00 5.11 H new ATOM 0 HB2 PRO A 26 30.267 10.303 -12.248 1.00 44.42 H new ATOM 0 HB3 PRO A 26 28.771 11.007 -12.829 1.00 44.42 H new ATOM 0 HG2 PRO A 26 31.171 12.369 -11.768 1.00 53.42 H new ATOM 0 HG3 PRO A 26 29.867 13.034 -12.731 1.00 53.42 H new ATOM 0 HD2 PRO A 26 30.258 13.365 -9.909 1.00 3.30 H new ATOM 0 HD3 PRO A 26 28.893 13.931 -10.851 1.00 3.30 H new ATOM 443 N ASN A 27 30.191 10.315 -8.739 1.00 34.13 N ATOM 444 CA ASN A 27 31.001 9.532 -7.821 1.00 41.40 C ATOM 445 C ASN A 27 30.158 9.149 -6.603 1.00 63.21 C ATOM 446 O ASN A 27 30.690 8.959 -5.510 1.00 42.43 O ATOM 447 CB ASN A 27 32.206 10.336 -7.328 1.00 21.10 C ATOM 448 CG ASN A 27 33.082 10.785 -8.499 1.00 52.43 C ATOM 449 OD1 ASN A 27 34.078 10.167 -8.836 1.00 42.31 O ATOM 450 ND2 ASN A 27 32.656 11.893 -9.099 1.00 51.40 N ATOM 0 H ASN A 27 30.082 11.296 -8.481 1.00 34.13 H new ATOM 0 HA ASN A 27 31.350 8.646 -8.351 1.00 41.40 H new ATOM 0 HB2 ASN A 27 31.863 11.208 -6.771 1.00 21.10 H new ATOM 0 HB3 ASN A 27 32.795 9.730 -6.640 1.00 21.10 H new ATOM 0 HD21 ASN A 27 33.172 12.274 -9.892 1.00 51.40 H new ATOM 0 HD22 ASN A 27 31.813 12.362 -8.766 1.00 51.40 H new ATOM 457 N ARG A 28 28.857 9.046 -6.832 1.00 65.54 N ATOM 458 CA ARG A 28 27.936 8.688 -5.768 1.00 32.15 C ATOM 459 C ARG A 28 27.102 7.471 -6.174 1.00 13.33 C ATOM 460 O ARG A 28 27.290 6.918 -7.256 1.00 43.31 O ATOM 461 CB ARG A 28 27.000 9.852 -5.435 1.00 73.44 C ATOM 462 CG ARG A 28 27.771 11.012 -4.803 1.00 35.14 C ATOM 463 CD ARG A 28 28.615 10.530 -3.621 1.00 61.44 C ATOM 464 NE ARG A 28 29.020 11.681 -2.785 1.00 11.51 N ATOM 465 CZ ARG A 28 30.107 12.445 -3.023 1.00 65.14 C ATOM 466 NH1 ARG A 28 30.910 12.184 -4.077 1.00 52.34 N ATOM 467 NH2 ARG A 28 30.375 13.450 -2.210 1.00 72.23 N ATOM 0 H ARG A 28 28.419 9.204 -7.740 1.00 65.54 H new ATOM 0 HA ARG A 28 28.527 8.448 -4.884 1.00 32.15 H new ATOM 0 HB2 ARG A 28 26.502 10.193 -6.342 1.00 73.44 H new ATOM 0 HB3 ARG A 28 26.221 9.513 -4.752 1.00 73.44 H new ATOM 0 HG2 ARG A 28 28.416 11.475 -5.550 1.00 35.14 H new ATOM 0 HG3 ARG A 28 27.072 11.778 -4.467 1.00 35.14 H new ATOM 0 HD2 ARG A 28 28.045 9.819 -3.023 1.00 61.44 H new ATOM 0 HD3 ARG A 28 29.499 10.005 -3.985 1.00 61.44 H new ATOM 0 HE ARG A 28 28.441 11.912 -1.978 1.00 11.51 H new ATOM 0 HH11 ARG A 28 30.697 11.405 -4.700 1.00 52.34 H new ATOM 0 HH12 ARG A 28 31.730 12.766 -4.250 1.00 52.34 H new ATOM 0 HH21 ARG A 28 29.764 13.640 -1.415 1.00 72.23 H new ATOM 0 HH22 ARG A 28 31.193 14.037 -2.376 1.00 72.23 H new ATOM 480 N ILE A 29 26.197 7.090 -5.284 1.00 1.22 N ATOM 481 CA ILE A 29 25.333 5.949 -5.536 1.00 45.21 C ATOM 482 C ILE A 29 23.979 6.181 -4.863 1.00 4.24 C ATOM 483 O ILE A 29 23.793 5.830 -3.699 1.00 33.22 O ATOM 484 CB ILE A 29 26.020 4.652 -5.105 1.00 64.33 C ATOM 485 CG1 ILE A 29 27.472 4.614 -5.587 1.00 21.20 C ATOM 486 CG2 ILE A 29 25.228 3.430 -5.575 1.00 64.13 C ATOM 487 CD1 ILE A 29 28.163 3.322 -5.145 1.00 0.34 C ATOM 0 H ILE A 29 26.043 7.551 -4.387 1.00 1.22 H new ATOM 0 HA ILE A 29 25.144 5.843 -6.604 1.00 45.21 H new ATOM 0 HB ILE A 29 26.042 4.623 -4.016 1.00 64.33 H new ATOM 0 HG12 ILE A 29 27.500 4.692 -6.674 1.00 21.20 H new ATOM 0 HG13 ILE A 29 28.013 5.474 -5.191 1.00 21.20 H new ATOM 0 HG21 ILE A 29 25.738 2.521 -5.256 1.00 64.13 H new ATOM 0 HG22 ILE A 29 24.228 3.456 -5.142 1.00 64.13 H new ATOM 0 HG23 ILE A 29 25.153 3.441 -6.662 1.00 64.13 H new ATOM 0 HD11 ILE A 29 29.193 3.320 -5.500 1.00 0.34 H new ATOM 0 HD12 ILE A 29 28.154 3.259 -4.057 1.00 0.34 H new ATOM 0 HD13 ILE A 29 27.634 2.465 -5.562 1.00 0.34 H new ATOM 499 N PRO A 30 23.045 6.787 -5.644 1.00 4.14 N ATOM 500 CA PRO A 30 21.714 7.070 -5.135 1.00 41.20 C ATOM 501 C PRO A 30 20.873 5.794 -5.059 1.00 42.22 C ATOM 502 O PRO A 30 20.194 5.436 -6.020 1.00 51.21 O ATOM 503 CB PRO A 30 21.140 8.104 -6.090 1.00 12.23 C ATOM 504 CG PRO A 30 21.981 8.018 -7.353 1.00 21.02 C ATOM 505 CD PRO A 30 23.231 7.217 -7.026 1.00 41.24 C ATOM 0 HA PRO A 30 21.726 7.453 -4.115 1.00 41.20 H new ATOM 0 HB2 PRO A 30 20.091 7.898 -6.304 1.00 12.23 H new ATOM 0 HB3 PRO A 30 21.186 9.103 -5.657 1.00 12.23 H new ATOM 0 HG2 PRO A 30 21.419 7.538 -8.154 1.00 21.02 H new ATOM 0 HG3 PRO A 30 22.247 9.015 -7.703 1.00 21.02 H new ATOM 0 HD2 PRO A 30 23.340 6.363 -7.695 1.00 41.24 H new ATOM 0 HD3 PRO A 30 24.130 7.824 -7.134 1.00 41.24 H new ATOM 513 N VAL A 31 20.946 5.143 -3.908 1.00 3.03 N ATOM 514 CA VAL A 31 20.200 3.915 -3.694 1.00 22.41 C ATOM 515 C VAL A 31 18.814 4.254 -3.142 1.00 3.41 C ATOM 516 O VAL A 31 18.658 5.224 -2.402 1.00 55.40 O ATOM 517 CB VAL A 31 20.992 2.973 -2.784 1.00 12.21 C ATOM 518 CG1 VAL A 31 20.057 2.027 -2.028 1.00 0.24 C ATOM 519 CG2 VAL A 31 22.037 2.190 -3.581 1.00 52.22 C ATOM 0 H VAL A 31 21.511 5.443 -3.113 1.00 3.03 H new ATOM 0 HA VAL A 31 20.054 3.388 -4.637 1.00 22.41 H new ATOM 0 HB VAL A 31 21.519 3.582 -2.049 1.00 12.21 H new ATOM 0 HG11 VAL A 31 20.645 1.368 -1.389 1.00 0.24 H new ATOM 0 HG12 VAL A 31 19.369 2.609 -1.415 1.00 0.24 H new ATOM 0 HG13 VAL A 31 19.490 1.429 -2.741 1.00 0.24 H new ATOM 0 HG21 VAL A 31 22.585 1.528 -2.910 1.00 52.22 H new ATOM 0 HG22 VAL A 31 21.540 1.597 -4.349 1.00 52.22 H new ATOM 0 HG23 VAL A 31 22.731 2.886 -4.052 1.00 52.22 H new ATOM 529 N ILE A 32 17.844 3.437 -3.523 1.00 71.31 N ATOM 530 CA ILE A 32 16.476 3.638 -3.076 1.00 3.45 C ATOM 531 C ILE A 32 16.075 2.493 -2.143 1.00 42.44 C ATOM 532 O ILE A 32 15.590 1.459 -2.599 1.00 22.45 O ATOM 533 CB ILE A 32 15.541 3.813 -4.274 1.00 33.35 C ATOM 534 CG1 ILE A 32 15.647 5.225 -4.851 1.00 40.53 C ATOM 535 CG2 ILE A 32 14.101 3.452 -3.902 1.00 10.32 C ATOM 536 CD1 ILE A 32 14.680 6.180 -4.147 1.00 65.12 C ATOM 0 H ILE A 32 17.978 2.634 -4.137 1.00 71.31 H new ATOM 0 HA ILE A 32 16.395 4.560 -2.501 1.00 3.45 H new ATOM 0 HB ILE A 32 15.855 3.122 -5.056 1.00 33.35 H new ATOM 0 HG12 ILE A 32 16.668 5.590 -4.742 1.00 40.53 H new ATOM 0 HG13 ILE A 32 15.429 5.203 -5.919 1.00 40.53 H new ATOM 0 HG21 ILE A 32 13.457 3.585 -4.771 1.00 10.32 H new ATOM 0 HG22 ILE A 32 14.059 2.413 -3.575 1.00 10.32 H new ATOM 0 HG23 ILE A 32 13.760 4.101 -3.095 1.00 10.32 H new ATOM 0 HD11 ILE A 32 14.776 7.177 -4.577 1.00 65.12 H new ATOM 0 HD12 ILE A 32 13.658 5.825 -4.278 1.00 65.12 H new ATOM 0 HD13 ILE A 32 14.917 6.219 -3.084 1.00 65.12 H new ATOM 548 N CYS A 33 16.292 2.717 -0.856 1.00 5.32 N ATOM 549 CA CYS A 33 15.960 1.717 0.144 1.00 13.14 C ATOM 550 C CYS A 33 14.570 2.036 0.699 1.00 1.31 C ATOM 551 O CYS A 33 14.176 3.200 0.763 1.00 34.42 O ATOM 552 CB CYS A 33 17.014 1.651 1.251 1.00 65.33 C ATOM 553 SG CYS A 33 16.438 0.557 2.600 1.00 41.10 S ATOM 0 H CYS A 33 16.694 3.577 -0.482 1.00 5.32 H new ATOM 0 HA CYS A 33 15.949 0.729 -0.316 1.00 13.14 H new ATOM 0 HB2 CYS A 33 17.955 1.279 0.847 1.00 65.33 H new ATOM 0 HB3 CYS A 33 17.208 2.651 1.640 1.00 65.33 H new ATOM 0 HG CYS A 33 16.897 0.991 3.736 1.00 41.10 H new ATOM 559 N GLU A 34 13.866 0.983 1.086 1.00 30.20 N ATOM 560 CA GLU A 34 12.529 1.136 1.633 1.00 13.32 C ATOM 561 C GLU A 34 12.345 0.226 2.849 1.00 20.12 C ATOM 562 O GLU A 34 12.993 -0.814 2.954 1.00 62.21 O ATOM 563 CB GLU A 34 11.465 0.853 0.570 1.00 24.44 C ATOM 564 CG GLU A 34 11.972 1.224 -0.825 1.00 21.42 C ATOM 565 CD GLU A 34 10.832 1.205 -1.845 1.00 40.30 C ATOM 566 OE1 GLU A 34 9.717 0.770 -1.521 1.00 21.20 O ATOM 567 OE2 GLU A 34 11.136 1.666 -3.011 1.00 22.20 O ATOM 0 H GLU A 34 14.197 0.020 1.032 1.00 30.20 H new ATOM 0 HA GLU A 34 12.406 2.170 1.956 1.00 13.32 H new ATOM 0 HB2 GLU A 34 11.194 -0.202 0.594 1.00 24.44 H new ATOM 0 HB3 GLU A 34 10.561 1.419 0.795 1.00 24.44 H new ATOM 0 HG2 GLU A 34 12.426 2.215 -0.799 1.00 21.42 H new ATOM 0 HG3 GLU A 34 12.750 0.525 -1.131 1.00 21.42 H new ATOM 575 N LYS A 35 11.458 0.650 3.738 1.00 45.44 N ATOM 576 CA LYS A 35 11.181 -0.114 4.942 1.00 4.31 C ATOM 577 C LYS A 35 10.269 -1.292 4.595 1.00 64.01 C ATOM 578 O LYS A 35 9.294 -1.132 3.862 1.00 24.13 O ATOM 579 CB LYS A 35 10.620 0.796 6.037 1.00 45.43 C ATOM 580 CG LYS A 35 9.967 -0.024 7.150 1.00 35.23 C ATOM 581 CD LYS A 35 8.500 -0.318 6.826 1.00 65.20 C ATOM 582 CE LYS A 35 7.662 -0.398 8.103 1.00 31.11 C ATOM 583 NZ LYS A 35 6.384 -1.098 7.841 1.00 2.32 N ATOM 0 H LYS A 35 10.922 1.513 3.648 1.00 45.44 H new ATOM 0 HA LYS A 35 12.102 -0.532 5.348 1.00 4.31 H new ATOM 0 HB2 LYS A 35 11.421 1.407 6.453 1.00 45.43 H new ATOM 0 HB3 LYS A 35 9.888 1.480 5.607 1.00 45.43 H new ATOM 0 HG2 LYS A 35 10.509 -0.961 7.282 1.00 35.23 H new ATOM 0 HG3 LYS A 35 10.033 0.519 8.093 1.00 35.23 H new ATOM 0 HD2 LYS A 35 8.104 0.462 6.175 1.00 65.20 H new ATOM 0 HD3 LYS A 35 8.426 -1.258 6.279 1.00 65.20 H new ATOM 0 HE2 LYS A 35 8.219 -0.924 8.878 1.00 31.11 H new ATOM 0 HE3 LYS A 35 7.463 0.606 8.478 1.00 31.11 H new ATOM 0 HZ1 LYS A 35 5.663 -0.768 8.514 1.00 2.32 H new ATOM 0 HZ2 LYS A 35 6.070 -0.896 6.870 1.00 2.32 H new ATOM 0 HZ3 LYS A 35 6.520 -2.123 7.954 1.00 2.32 H new ATOM 596 N ALA A 36 10.619 -2.449 5.137 1.00 33.24 N ATOM 597 CA ALA A 36 9.844 -3.654 4.894 1.00 33.11 C ATOM 598 C ALA A 36 8.532 -3.579 5.678 1.00 2.44 C ATOM 599 O ALA A 36 8.541 -3.386 6.893 1.00 24.12 O ATOM 600 CB ALA A 36 10.677 -4.881 5.268 1.00 20.43 C ATOM 0 H ALA A 36 11.429 -2.578 5.744 1.00 33.24 H new ATOM 0 HA ALA A 36 9.592 -3.741 3.837 1.00 33.11 H new ATOM 0 HB1 ALA A 36 10.096 -5.785 5.086 1.00 20.43 H new ATOM 0 HB2 ALA A 36 11.583 -4.904 4.662 1.00 20.43 H new ATOM 0 HB3 ALA A 36 10.947 -4.830 6.323 1.00 20.43 H new ATOM 606 N GLU A 37 7.435 -3.734 4.952 1.00 64.35 N ATOM 607 CA GLU A 37 6.119 -3.686 5.564 1.00 74.20 C ATOM 608 C GLU A 37 5.956 -4.832 6.565 1.00 64.35 C ATOM 609 O GLU A 37 5.513 -4.619 7.692 1.00 53.23 O ATOM 610 CB GLU A 37 5.018 -3.726 4.502 1.00 42.12 C ATOM 611 CG GLU A 37 4.914 -5.116 3.872 1.00 61.24 C ATOM 612 CD GLU A 37 3.940 -5.112 2.692 1.00 51.11 C ATOM 613 OE1 GLU A 37 4.115 -5.887 1.740 1.00 25.01 O ATOM 614 OE2 GLU A 37 2.971 -4.265 2.788 1.00 62.41 O ATOM 0 H GLU A 37 7.431 -3.893 3.944 1.00 64.35 H new ATOM 0 HA GLU A 37 6.025 -2.743 6.102 1.00 74.20 H new ATOM 0 HB2 GLU A 37 4.063 -3.455 4.953 1.00 42.12 H new ATOM 0 HB3 GLU A 37 5.227 -2.987 3.729 1.00 42.12 H new ATOM 0 HG2 GLU A 37 5.898 -5.441 3.535 1.00 61.24 H new ATOM 0 HG3 GLU A 37 4.581 -5.835 4.621 1.00 61.24 H new ATOM 622 N LYS A 38 6.325 -6.023 6.116 1.00 32.42 N ATOM 623 CA LYS A 38 6.226 -7.203 6.958 1.00 33.43 C ATOM 624 C LYS A 38 6.817 -6.893 8.335 1.00 73.40 C ATOM 625 O LYS A 38 6.264 -7.297 9.357 1.00 13.50 O ATOM 626 CB LYS A 38 6.870 -8.409 6.270 1.00 54.53 C ATOM 627 CG LYS A 38 6.038 -8.862 5.068 1.00 64.02 C ATOM 628 CD LYS A 38 4.876 -9.753 5.510 1.00 13.20 C ATOM 629 CE LYS A 38 5.124 -11.211 5.120 1.00 34.45 C ATOM 630 NZ LYS A 38 3.853 -11.971 5.121 1.00 24.13 N ATOM 0 H LYS A 38 6.693 -6.196 5.180 1.00 32.42 H new ATOM 0 HA LYS A 38 5.181 -7.474 7.112 1.00 33.43 H new ATOM 0 HB2 LYS A 38 7.877 -8.151 5.943 1.00 54.53 H new ATOM 0 HB3 LYS A 38 6.966 -9.230 6.981 1.00 54.53 H new ATOM 0 HG2 LYS A 38 5.652 -7.991 4.539 1.00 64.02 H new ATOM 0 HG3 LYS A 38 6.671 -9.405 4.367 1.00 64.02 H new ATOM 0 HD2 LYS A 38 4.746 -9.679 6.590 1.00 13.20 H new ATOM 0 HD3 LYS A 38 3.950 -9.403 5.053 1.00 13.20 H new ATOM 0 HE2 LYS A 38 5.581 -11.257 4.132 1.00 34.45 H new ATOM 0 HE3 LYS A 38 5.827 -11.666 5.818 1.00 34.45 H new ATOM 0 HZ1 LYS A 38 4.039 -12.959 4.854 1.00 24.13 H new ATOM 0 HZ2 LYS A 38 3.432 -11.943 6.072 1.00 24.13 H new ATOM 0 HZ3 LYS A 38 3.194 -11.546 4.438 1.00 24.13 H new ATOM 643 N SER A 39 7.933 -6.180 8.317 1.00 11.33 N ATOM 644 CA SER A 39 8.605 -5.811 9.552 1.00 41.14 C ATOM 645 C SER A 39 7.630 -5.087 10.482 1.00 32.55 C ATOM 646 O SER A 39 6.476 -4.858 10.122 1.00 45.21 O ATOM 647 CB SER A 39 9.825 -4.930 9.273 1.00 73.43 C ATOM 648 OG SER A 39 10.854 -5.122 10.240 1.00 53.31 O ATOM 0 H SER A 39 8.389 -5.848 7.467 1.00 11.33 H new ATOM 0 HA SER A 39 8.952 -6.723 10.038 1.00 41.14 H new ATOM 0 HB2 SER A 39 10.214 -5.154 8.280 1.00 73.43 H new ATOM 0 HB3 SER A 39 9.523 -3.883 9.268 1.00 73.43 H new ATOM 0 HG SER A 39 11.142 -6.059 10.229 1.00 53.31 H new ATOM 654 N ASP A 40 8.129 -4.749 11.662 1.00 11.51 N ATOM 655 CA ASP A 40 7.316 -4.056 12.647 1.00 2.25 C ATOM 656 C ASP A 40 7.996 -2.739 13.028 1.00 30.01 C ATOM 657 O ASP A 40 7.736 -2.188 14.097 1.00 75.04 O ATOM 658 CB ASP A 40 7.160 -4.892 13.919 1.00 63.20 C ATOM 659 CG ASP A 40 6.100 -5.993 13.843 1.00 3.11 C ATOM 660 OD1 ASP A 40 6.423 -7.190 13.832 1.00 35.22 O ATOM 661 OD2 ASP A 40 4.881 -5.573 13.793 1.00 24.42 O ATOM 0 H ASP A 40 9.086 -4.942 11.958 1.00 11.51 H new ATOM 0 HA ASP A 40 6.334 -3.879 12.209 1.00 2.25 H new ATOM 0 HB2 ASP A 40 8.121 -5.349 14.155 1.00 63.20 H new ATOM 0 HB3 ASP A 40 6.912 -4.226 14.745 1.00 63.20 H new ATOM 667 N ILE A 41 8.854 -2.273 12.133 1.00 40.42 N ATOM 668 CA ILE A 41 9.573 -1.031 12.361 1.00 2.14 C ATOM 669 C ILE A 41 8.771 0.133 11.776 1.00 43.14 C ATOM 670 O ILE A 41 7.945 -0.063 10.886 1.00 64.24 O ATOM 671 CB ILE A 41 11.000 -1.130 11.818 1.00 71.12 C ATOM 672 CG1 ILE A 41 11.059 -0.697 10.351 1.00 22.24 C ATOM 673 CG2 ILE A 41 11.569 -2.535 12.024 1.00 32.31 C ATOM 674 CD1 ILE A 41 12.367 -1.149 9.699 1.00 70.53 C ATOM 0 H ILE A 41 9.068 -2.733 11.248 1.00 40.42 H new ATOM 0 HA ILE A 41 9.676 -0.842 13.429 1.00 2.14 H new ATOM 0 HB ILE A 41 11.629 -0.442 12.383 1.00 71.12 H new ATOM 0 HG12 ILE A 41 10.213 -1.120 9.809 1.00 22.24 H new ATOM 0 HG13 ILE A 41 10.971 0.387 10.284 1.00 22.24 H new ATOM 0 HG21 ILE A 41 12.584 -2.578 11.629 1.00 32.31 H new ATOM 0 HG22 ILE A 41 11.583 -2.769 13.088 1.00 32.31 H new ATOM 0 HG23 ILE A 41 10.945 -3.260 11.501 1.00 32.31 H new ATOM 0 HD11 ILE A 41 12.384 -0.829 8.657 1.00 70.53 H new ATOM 0 HD12 ILE A 41 13.210 -0.705 10.229 1.00 70.53 H new ATOM 0 HD13 ILE A 41 12.440 -2.236 9.746 1.00 70.53 H new ATOM 686 N PRO A 42 9.050 1.351 12.313 1.00 42.03 N ATOM 687 CA PRO A 42 8.364 2.547 11.853 1.00 64.42 C ATOM 688 C PRO A 42 8.892 2.990 10.487 1.00 74.24 C ATOM 689 O PRO A 42 10.097 2.966 10.245 1.00 65.20 O ATOM 690 CB PRO A 42 8.599 3.579 12.944 1.00 60.24 C ATOM 691 CG PRO A 42 9.788 3.075 13.746 1.00 75.31 C ATOM 692 CD PRO A 42 10.022 1.621 13.368 1.00 1.22 C ATOM 0 HA PRO A 42 7.297 2.387 11.698 1.00 64.42 H new ATOM 0 HB2 PRO A 42 8.804 4.560 12.516 1.00 60.24 H new ATOM 0 HB3 PRO A 42 7.718 3.686 13.577 1.00 60.24 H new ATOM 0 HG2 PRO A 42 10.674 3.673 13.532 1.00 75.31 H new ATOM 0 HG3 PRO A 42 9.594 3.165 14.815 1.00 75.31 H new ATOM 0 HD2 PRO A 42 11.042 1.462 13.017 1.00 1.22 H new ATOM 0 HD3 PRO A 42 9.873 0.961 14.222 1.00 1.22 H new ATOM 700 N GLU A 43 7.962 3.384 9.629 1.00 41.31 N ATOM 701 CA GLU A 43 8.318 3.833 8.293 1.00 20.43 C ATOM 702 C GLU A 43 9.193 5.086 8.369 1.00 35.34 C ATOM 703 O GLU A 43 9.338 5.681 9.436 1.00 43.43 O ATOM 704 CB GLU A 43 7.068 4.087 7.449 1.00 72.00 C ATOM 705 CG GLU A 43 7.346 3.832 5.966 1.00 3.52 C ATOM 706 CD GLU A 43 6.045 3.605 5.195 1.00 34.51 C ATOM 707 OE1 GLU A 43 5.813 2.500 4.682 1.00 23.52 O ATOM 708 OE2 GLU A 43 5.258 4.625 5.139 1.00 10.44 O ATOM 0 H GLU A 43 6.963 3.402 9.833 1.00 41.31 H new ATOM 0 HA GLU A 43 8.891 3.044 7.806 1.00 20.43 H new ATOM 0 HB2 GLU A 43 6.259 3.440 7.787 1.00 72.00 H new ATOM 0 HB3 GLU A 43 6.734 5.115 7.588 1.00 72.00 H new ATOM 0 HG2 GLU A 43 7.881 4.682 5.541 1.00 3.52 H new ATOM 0 HG3 GLU A 43 7.993 2.962 5.858 1.00 3.52 H new ATOM 716 N ILE A 44 9.752 5.449 7.224 1.00 34.25 N ATOM 717 CA ILE A 44 10.608 6.620 7.148 1.00 12.30 C ATOM 718 C ILE A 44 9.915 7.699 6.314 1.00 50.44 C ATOM 719 O ILE A 44 8.806 7.493 5.822 1.00 23.05 O ATOM 720 CB ILE A 44 11.995 6.237 6.628 1.00 10.24 C ATOM 721 CG1 ILE A 44 11.890 5.281 5.439 1.00 71.04 C ATOM 722 CG2 ILE A 44 12.861 5.663 7.751 1.00 64.51 C ATOM 723 CD1 ILE A 44 13.245 5.113 4.749 1.00 63.01 C ATOM 0 H ILE A 44 9.629 4.953 6.341 1.00 34.25 H new ATOM 0 HA ILE A 44 10.770 7.039 8.141 1.00 12.30 H new ATOM 0 HB ILE A 44 12.488 7.141 6.271 1.00 10.24 H new ATOM 0 HG12 ILE A 44 11.528 4.311 5.779 1.00 71.04 H new ATOM 0 HG13 ILE A 44 11.159 5.661 4.725 1.00 71.04 H new ATOM 0 HG21 ILE A 44 13.842 5.399 7.355 1.00 64.51 H new ATOM 0 HG22 ILE A 44 12.976 6.408 8.539 1.00 64.51 H new ATOM 0 HG23 ILE A 44 12.383 4.773 8.160 1.00 64.51 H new ATOM 0 HD11 ILE A 44 13.142 4.428 3.907 1.00 63.01 H new ATOM 0 HD12 ILE A 44 13.592 6.081 4.389 1.00 63.01 H new ATOM 0 HD13 ILE A 44 13.967 4.709 5.459 1.00 63.01 H new ATOM 735 N ASP A 45 10.597 8.827 6.179 1.00 42.12 N ATOM 736 CA ASP A 45 10.061 9.939 5.412 1.00 2.12 C ATOM 737 C ASP A 45 9.896 9.514 3.952 1.00 61.51 C ATOM 738 O ASP A 45 8.783 9.494 3.429 1.00 12.33 O ATOM 739 CB ASP A 45 11.007 11.141 5.450 1.00 20.03 C ATOM 740 CG ASP A 45 11.018 11.914 6.771 1.00 71.41 C ATOM 741 OD1 ASP A 45 10.000 12.491 7.181 1.00 3.14 O ATOM 742 OD2 ASP A 45 12.146 11.909 7.396 1.00 23.41 O ATOM 0 H ASP A 45 11.516 8.995 6.588 1.00 42.12 H new ATOM 0 HA ASP A 45 9.103 10.219 5.850 1.00 2.12 H new ATOM 0 HB2 ASP A 45 12.019 10.795 5.241 1.00 20.03 H new ATOM 0 HB3 ASP A 45 10.732 11.826 4.648 1.00 20.03 H new ATOM 748 N LYS A 46 11.021 9.183 3.334 1.00 32.14 N ATOM 749 CA LYS A 46 11.015 8.759 1.945 1.00 72.14 C ATOM 750 C LYS A 46 12.210 7.837 1.692 1.00 15.11 C ATOM 751 O LYS A 46 12.948 7.504 2.618 1.00 74.21 O ATOM 752 CB LYS A 46 10.967 9.973 1.014 1.00 20.43 C ATOM 753 CG LYS A 46 12.204 10.854 1.198 1.00 25.54 C ATOM 754 CD LYS A 46 11.884 12.319 0.898 1.00 52.11 C ATOM 755 CE LYS A 46 13.148 13.088 0.507 1.00 74.33 C ATOM 756 NZ LYS A 46 12.865 14.538 0.416 1.00 60.31 N ATOM 0 H LYS A 46 11.943 9.200 3.771 1.00 32.14 H new ATOM 0 HA LYS A 46 10.116 8.183 1.727 1.00 72.14 H new ATOM 0 HB2 LYS A 46 10.905 9.639 -0.022 1.00 20.43 H new ATOM 0 HB3 LYS A 46 10.068 10.555 1.216 1.00 20.43 H new ATOM 0 HG2 LYS A 46 12.573 10.761 2.220 1.00 25.54 H new ATOM 0 HG3 LYS A 46 13.001 10.510 0.539 1.00 25.54 H new ATOM 0 HD2 LYS A 46 11.154 12.377 0.090 1.00 52.11 H new ATOM 0 HD3 LYS A 46 11.429 12.782 1.773 1.00 52.11 H new ATOM 0 HE2 LYS A 46 13.932 12.910 1.243 1.00 74.33 H new ATOM 0 HE3 LYS A 46 13.521 12.723 -0.450 1.00 74.33 H new ATOM 0 HZ1 LYS A 46 13.733 15.045 0.150 1.00 60.31 H new ATOM 0 HZ2 LYS A 46 12.132 14.704 -0.303 1.00 60.31 H new ATOM 0 HZ3 LYS A 46 12.530 14.885 1.338 1.00 60.31 H new ATOM 769 N ARG A 47 12.363 7.451 0.434 1.00 53.11 N ATOM 770 CA ARG A 47 13.455 6.574 0.048 1.00 42.31 C ATOM 771 C ARG A 47 14.474 7.337 -0.802 1.00 14.45 C ATOM 772 O ARG A 47 14.250 7.565 -1.990 1.00 23.54 O ATOM 773 CB ARG A 47 12.941 5.370 -0.744 1.00 5.03 C ATOM 774 CG ARG A 47 11.754 4.715 -0.036 1.00 33.11 C ATOM 775 CD ARG A 47 10.800 4.073 -1.045 1.00 54.35 C ATOM 776 NE ARG A 47 9.849 5.086 -1.558 1.00 22.44 N ATOM 777 CZ ARG A 47 8.697 5.422 -0.940 1.00 53.34 C ATOM 778 NH1 ARG A 47 8.342 4.829 0.219 1.00 74.20 N ATOM 779 NH2 ARG A 47 7.922 6.341 -1.488 1.00 22.53 N ATOM 0 H ARG A 47 11.749 7.730 -0.331 1.00 53.11 H new ATOM 0 HA ARG A 47 13.932 6.218 0.961 1.00 42.31 H new ATOM 0 HB2 ARG A 47 12.643 5.688 -1.743 1.00 5.03 H new ATOM 0 HB3 ARG A 47 13.743 4.642 -0.867 1.00 5.03 H new ATOM 0 HG2 ARG A 47 12.114 3.959 0.661 1.00 33.11 H new ATOM 0 HG3 ARG A 47 11.219 5.461 0.551 1.00 33.11 H new ATOM 0 HD2 ARG A 47 11.367 3.643 -1.871 1.00 54.35 H new ATOM 0 HD3 ARG A 47 10.254 3.256 -0.573 1.00 54.35 H new ATOM 0 HE ARG A 47 10.079 5.559 -2.432 1.00 22.44 H new ATOM 0 HH11 ARG A 47 8.946 4.120 0.635 1.00 74.20 H new ATOM 0 HH12 ARG A 47 7.470 5.089 0.679 1.00 74.20 H new ATOM 0 HH21 ARG A 47 8.198 6.784 -2.364 1.00 22.53 H new ATOM 0 HH22 ARG A 47 7.048 6.607 -1.035 1.00 22.53 H new ATOM 792 N LYS A 48 15.570 7.712 -0.159 1.00 50.20 N ATOM 793 CA LYS A 48 16.623 8.445 -0.841 1.00 3.13 C ATOM 794 C LYS A 48 17.933 8.285 -0.066 1.00 42.34 C ATOM 795 O LYS A 48 18.116 8.899 0.984 1.00 64.12 O ATOM 796 CB LYS A 48 16.210 9.902 -1.055 1.00 54.34 C ATOM 797 CG LYS A 48 17.275 10.664 -1.847 1.00 31.22 C ATOM 798 CD LYS A 48 17.125 12.174 -1.655 1.00 2.42 C ATOM 799 CE LYS A 48 18.131 12.939 -2.518 1.00 55.02 C ATOM 800 NZ LYS A 48 19.395 12.179 -2.637 1.00 51.04 N ATOM 0 H LYS A 48 15.752 7.522 0.827 1.00 50.20 H new ATOM 0 HA LYS A 48 16.788 8.035 -1.837 1.00 3.13 H new ATOM 0 HB2 LYS A 48 15.260 9.940 -1.587 1.00 54.34 H new ATOM 0 HB3 LYS A 48 16.054 10.385 -0.090 1.00 54.34 H new ATOM 0 HG2 LYS A 48 18.268 10.350 -1.524 1.00 31.22 H new ATOM 0 HG3 LYS A 48 17.191 10.418 -2.906 1.00 31.22 H new ATOM 0 HD2 LYS A 48 16.111 12.478 -1.916 1.00 2.42 H new ATOM 0 HD3 LYS A 48 17.274 12.427 -0.605 1.00 2.42 H new ATOM 0 HE2 LYS A 48 17.710 13.114 -3.508 1.00 55.02 H new ATOM 0 HE3 LYS A 48 18.328 13.917 -2.078 1.00 55.02 H new ATOM 0 HZ1 LYS A 48 20.139 12.800 -3.015 1.00 51.04 H new ATOM 0 HZ2 LYS A 48 19.679 11.829 -1.700 1.00 51.04 H new ATOM 0 HZ3 LYS A 48 19.256 11.373 -3.280 1.00 51.04 H new ATOM 813 N TYR A 49 18.811 7.458 -0.615 1.00 35.22 N ATOM 814 CA TYR A 49 20.098 7.210 0.011 1.00 20.43 C ATOM 815 C TYR A 49 21.243 7.460 -0.972 1.00 63.40 C ATOM 816 O TYR A 49 21.620 6.568 -1.732 1.00 12.45 O ATOM 817 CB TYR A 49 20.096 5.732 0.408 1.00 0.13 C ATOM 818 CG TYR A 49 19.108 5.389 1.525 1.00 2.22 C ATOM 819 CD1 TYR A 49 17.772 5.203 1.232 1.00 43.30 C ATOM 820 CD2 TYR A 49 19.553 5.266 2.826 1.00 72.22 C ATOM 821 CE1 TYR A 49 16.843 4.881 2.283 1.00 34.41 C ATOM 822 CE2 TYR A 49 18.623 4.943 3.877 1.00 40.10 C ATOM 823 CZ TYR A 49 17.314 4.766 3.554 1.00 52.32 C ATOM 824 OH TYR A 49 16.436 4.462 4.547 1.00 73.45 O ATOM 0 H TYR A 49 18.656 6.951 -1.487 1.00 35.22 H new ATOM 0 HA TYR A 49 20.244 7.872 0.865 1.00 20.43 H new ATOM 0 HB2 TYR A 49 19.859 5.131 -0.470 1.00 0.13 H new ATOM 0 HB3 TYR A 49 21.100 5.450 0.726 1.00 0.13 H new ATOM 0 HD1 TYR A 49 17.424 5.299 0.214 1.00 43.30 H new ATOM 0 HD2 TYR A 49 20.598 5.412 3.056 1.00 72.22 H new ATOM 0 HE1 TYR A 49 15.795 4.734 2.067 1.00 34.41 H new ATOM 0 HE2 TYR A 49 18.958 4.844 4.899 1.00 40.10 H new ATOM 0 HH TYR A 49 15.706 3.919 4.183 1.00 73.45 H new ATOM 834 N LEU A 50 21.765 8.677 -0.926 1.00 22.50 N ATOM 835 CA LEU A 50 22.860 9.055 -1.803 1.00 51.13 C ATOM 836 C LEU A 50 24.187 8.870 -1.065 1.00 10.33 C ATOM 837 O LEU A 50 24.626 9.760 -0.337 1.00 35.30 O ATOM 838 CB LEU A 50 22.649 10.471 -2.343 1.00 74.15 C ATOM 839 CG LEU A 50 23.532 10.877 -3.525 1.00 4.15 C ATOM 840 CD1 LEU A 50 23.851 9.671 -4.411 1.00 4.43 C ATOM 841 CD2 LEU A 50 22.896 12.019 -4.318 1.00 53.54 C ATOM 0 H LEU A 50 21.450 9.414 -0.295 1.00 22.50 H new ATOM 0 HA LEU A 50 22.889 8.405 -2.678 1.00 51.13 H new ATOM 0 HB2 LEU A 50 21.606 10.572 -2.643 1.00 74.15 H new ATOM 0 HB3 LEU A 50 22.817 11.177 -1.530 1.00 74.15 H new ATOM 0 HG LEU A 50 24.479 11.247 -3.132 1.00 4.15 H new ATOM 0 HD11 LEU A 50 24.480 9.987 -5.243 1.00 4.43 H new ATOM 0 HD12 LEU A 50 24.377 8.918 -3.825 1.00 4.43 H new ATOM 0 HD13 LEU A 50 22.924 9.248 -4.797 1.00 4.43 H new ATOM 0 HD21 LEU A 50 23.544 12.288 -5.152 1.00 53.54 H new ATOM 0 HD22 LEU A 50 21.926 11.701 -4.700 1.00 53.54 H new ATOM 0 HD23 LEU A 50 22.764 12.884 -3.668 1.00 53.54 H new ATOM 853 N VAL A 51 24.789 7.710 -1.278 1.00 23.44 N ATOM 854 CA VAL A 51 26.058 7.397 -0.641 1.00 74.21 C ATOM 855 C VAL A 51 27.153 7.322 -1.706 1.00 42.44 C ATOM 856 O VAL A 51 26.871 7.067 -2.876 1.00 33.11 O ATOM 857 CB VAL A 51 25.930 6.109 0.176 1.00 54.42 C ATOM 858 CG1 VAL A 51 25.679 6.420 1.653 1.00 70.02 C ATOM 859 CG2 VAL A 51 24.830 5.208 -0.389 1.00 52.45 C ATOM 0 H VAL A 51 24.422 6.975 -1.883 1.00 23.44 H new ATOM 0 HA VAL A 51 26.338 8.184 0.059 1.00 74.21 H new ATOM 0 HB VAL A 51 26.875 5.570 0.102 1.00 54.42 H new ATOM 0 HG11 VAL A 51 25.592 5.488 2.211 1.00 70.02 H new ATOM 0 HG12 VAL A 51 26.510 7.004 2.048 1.00 70.02 H new ATOM 0 HG13 VAL A 51 24.756 6.990 1.753 1.00 70.02 H new ATOM 0 HG21 VAL A 51 24.760 4.300 0.210 1.00 52.45 H new ATOM 0 HG22 VAL A 51 23.877 5.736 -0.360 1.00 52.45 H new ATOM 0 HG23 VAL A 51 25.068 4.945 -1.420 1.00 52.45 H new ATOM 869 N PRO A 52 28.414 7.556 -1.252 1.00 15.41 N ATOM 870 CA PRO A 52 29.553 7.518 -2.153 1.00 10.53 C ATOM 871 C PRO A 52 29.915 6.078 -2.518 1.00 62.44 C ATOM 872 O PRO A 52 29.353 5.133 -1.966 1.00 40.21 O ATOM 873 CB PRO A 52 30.666 8.241 -1.410 1.00 75.53 C ATOM 874 CG PRO A 52 30.254 8.247 0.053 1.00 24.21 C ATOM 875 CD PRO A 52 28.786 7.862 0.126 1.00 12.23 C ATOM 0 HA PRO A 52 29.350 8.002 -3.109 1.00 10.53 H new ATOM 0 HB2 PRO A 52 31.620 7.732 -1.545 1.00 75.53 H new ATOM 0 HB3 PRO A 52 30.790 9.257 -1.785 1.00 75.53 H new ATOM 0 HG2 PRO A 52 30.862 7.544 0.623 1.00 24.21 H new ATOM 0 HG3 PRO A 52 30.412 9.233 0.490 1.00 24.21 H new ATOM 0 HD2 PRO A 52 28.634 7.001 0.778 1.00 12.23 H new ATOM 0 HD3 PRO A 52 28.183 8.676 0.528 1.00 12.23 H new ATOM 883 N ALA A 53 30.852 5.954 -3.447 1.00 2.31 N ATOM 884 CA ALA A 53 31.296 4.645 -3.893 1.00 22.52 C ATOM 885 C ALA A 53 32.456 4.177 -3.011 1.00 71.44 C ATOM 886 O ALA A 53 33.191 3.262 -3.380 1.00 71.13 O ATOM 887 CB ALA A 53 31.679 4.711 -5.373 1.00 13.53 C ATOM 0 H ALA A 53 31.316 6.740 -3.903 1.00 2.31 H new ATOM 0 HA ALA A 53 30.493 3.915 -3.797 1.00 22.52 H new ATOM 0 HB1 ALA A 53 32.012 3.728 -5.707 1.00 13.53 H new ATOM 0 HB2 ALA A 53 30.813 5.019 -5.959 1.00 13.53 H new ATOM 0 HB3 ALA A 53 32.485 5.433 -5.509 1.00 13.53 H new ATOM 893 N ASP A 54 32.584 4.825 -1.863 1.00 52.53 N ATOM 894 CA ASP A 54 33.642 4.487 -0.926 1.00 53.34 C ATOM 895 C ASP A 54 33.023 3.914 0.350 1.00 54.01 C ATOM 896 O ASP A 54 33.729 3.364 1.194 1.00 74.13 O ATOM 897 CB ASP A 54 34.454 5.726 -0.543 1.00 23.42 C ATOM 898 CG ASP A 54 35.127 6.446 -1.713 1.00 73.12 C ATOM 899 OD1 ASP A 54 35.094 5.972 -2.858 1.00 62.25 O ATOM 900 OD2 ASP A 54 35.711 7.555 -1.408 1.00 33.12 O ATOM 0 H ASP A 54 31.972 5.583 -1.560 1.00 52.53 H new ATOM 0 HA ASP A 54 34.298 3.760 -1.405 1.00 53.34 H new ATOM 0 HB2 ASP A 54 33.796 6.430 -0.033 1.00 23.42 H new ATOM 0 HB3 ASP A 54 35.222 5.432 0.173 1.00 23.42 H new ATOM 906 N LEU A 55 31.710 4.063 0.451 1.00 30.41 N ATOM 907 CA LEU A 55 30.988 3.566 1.610 1.00 12.43 C ATOM 908 C LEU A 55 30.633 2.094 1.393 1.00 53.21 C ATOM 909 O LEU A 55 30.556 1.632 0.256 1.00 71.14 O ATOM 910 CB LEU A 55 29.777 4.454 1.907 1.00 22.45 C ATOM 911 CG LEU A 55 28.818 3.941 2.984 1.00 41.12 C ATOM 912 CD1 LEU A 55 28.166 5.103 3.735 1.00 12.22 C ATOM 913 CD2 LEU A 55 27.779 2.991 2.385 1.00 25.41 C ATOM 0 H LEU A 55 31.128 4.521 -0.250 1.00 30.41 H new ATOM 0 HA LEU A 55 31.616 3.614 2.500 1.00 12.43 H new ATOM 0 HB2 LEU A 55 30.138 5.438 2.208 1.00 22.45 H new ATOM 0 HB3 LEU A 55 29.215 4.590 0.983 1.00 22.45 H new ATOM 0 HG LEU A 55 29.395 3.370 3.712 1.00 41.12 H new ATOM 0 HD11 LEU A 55 27.489 4.711 4.495 1.00 12.22 H new ATOM 0 HD12 LEU A 55 28.938 5.706 4.213 1.00 12.22 H new ATOM 0 HD13 LEU A 55 27.605 5.721 3.033 1.00 12.22 H new ATOM 0 HD21 LEU A 55 27.110 2.641 3.171 1.00 25.41 H new ATOM 0 HD22 LEU A 55 27.201 3.516 1.624 1.00 25.41 H new ATOM 0 HD23 LEU A 55 28.284 2.138 1.932 1.00 25.41 H new ATOM 925 N THR A 56 30.426 1.399 2.501 1.00 33.53 N ATOM 926 CA THR A 56 30.081 -0.012 2.446 1.00 14.12 C ATOM 927 C THR A 56 28.656 -0.233 2.960 1.00 44.25 C ATOM 928 O THR A 56 28.062 0.663 3.557 1.00 1.12 O ATOM 929 CB THR A 56 31.138 -0.788 3.234 1.00 73.42 C ATOM 930 OG1 THR A 56 30.796 -0.555 4.597 1.00 12.23 O ATOM 931 CG2 THR A 56 32.536 -0.183 3.091 1.00 32.43 C ATOM 0 H THR A 56 30.490 1.786 3.443 1.00 33.53 H new ATOM 0 HA THR A 56 30.084 -0.380 1.420 1.00 14.12 H new ATOM 0 HB THR A 56 31.155 -1.824 2.896 1.00 73.42 H new ATOM 0 HG1 THR A 56 30.429 -1.376 4.987 1.00 12.23 H new ATOM 0 HG21 THR A 56 33.248 -0.771 3.670 1.00 32.43 H new ATOM 0 HG22 THR A 56 32.829 -0.188 2.041 1.00 32.43 H new ATOM 0 HG23 THR A 56 32.528 0.843 3.460 1.00 32.43 H new ATOM 939 N VAL A 57 28.150 -1.431 2.708 1.00 50.15 N ATOM 940 CA VAL A 57 26.807 -1.781 3.137 1.00 54.03 C ATOM 941 C VAL A 57 26.655 -1.470 4.627 1.00 54.51 C ATOM 942 O VAL A 57 25.638 -0.921 5.050 1.00 50.04 O ATOM 943 CB VAL A 57 26.514 -3.244 2.799 1.00 60.31 C ATOM 944 CG1 VAL A 57 25.125 -3.654 3.292 1.00 12.42 C ATOM 945 CG2 VAL A 57 26.660 -3.500 1.298 1.00 64.24 C ATOM 0 H VAL A 57 28.646 -2.172 2.212 1.00 50.15 H new ATOM 0 HA VAL A 57 26.068 -1.184 2.603 1.00 54.03 H new ATOM 0 HB VAL A 57 27.249 -3.860 3.317 1.00 60.31 H new ATOM 0 HG11 VAL A 57 24.943 -4.698 3.039 1.00 12.42 H new ATOM 0 HG12 VAL A 57 25.071 -3.528 4.373 1.00 12.42 H new ATOM 0 HG13 VAL A 57 24.370 -3.028 2.816 1.00 12.42 H new ATOM 0 HG21 VAL A 57 26.446 -4.547 1.085 1.00 64.24 H new ATOM 0 HG22 VAL A 57 25.960 -2.868 0.751 1.00 64.24 H new ATOM 0 HG23 VAL A 57 27.678 -3.267 0.986 1.00 64.24 H new ATOM 955 N GLY A 58 27.680 -1.833 5.382 1.00 5.04 N ATOM 956 CA GLY A 58 27.674 -1.599 6.817 1.00 72.25 C ATOM 957 C GLY A 58 27.100 -0.219 7.144 1.00 23.14 C ATOM 958 O GLY A 58 26.071 -0.113 7.810 1.00 41.34 O ATOM 0 H GLY A 58 28.521 -2.288 5.028 1.00 5.04 H new ATOM 0 HA2 GLY A 58 27.083 -2.369 7.312 1.00 72.25 H new ATOM 0 HA3 GLY A 58 28.689 -1.676 7.206 1.00 72.25 H new ATOM 962 N GLN A 59 27.791 0.803 6.662 1.00 4.34 N ATOM 963 CA GLN A 59 27.364 2.172 6.896 1.00 53.31 C ATOM 964 C GLN A 59 25.860 2.308 6.650 1.00 72.13 C ATOM 965 O GLN A 59 25.136 2.846 7.486 1.00 23.13 O ATOM 966 CB GLN A 59 28.153 3.150 6.022 1.00 34.34 C ATOM 967 CG GLN A 59 29.650 2.837 6.065 1.00 52.34 C ATOM 968 CD GLN A 59 30.480 4.098 5.817 1.00 42.24 C ATOM 969 OE1 GLN A 59 31.124 4.257 4.792 1.00 13.53 O ATOM 970 NE2 GLN A 59 30.430 4.983 6.808 1.00 21.25 N ATOM 0 H GLN A 59 28.644 0.711 6.110 1.00 4.34 H new ATOM 0 HA GLN A 59 27.567 2.422 7.937 1.00 53.31 H new ATOM 0 HB2 GLN A 59 27.795 3.095 4.994 1.00 34.34 H new ATOM 0 HB3 GLN A 59 27.981 4.170 6.365 1.00 34.34 H new ATOM 0 HG2 GLN A 59 29.909 2.412 7.035 1.00 52.34 H new ATOM 0 HG3 GLN A 59 29.890 2.085 5.313 1.00 52.34 H new ATOM 0 HE21 GLN A 59 29.871 4.787 7.639 1.00 21.25 H new ATOM 0 HE22 GLN A 59 30.950 5.857 6.738 1.00 21.25 H new ATOM 979 N PHE A 60 25.434 1.811 5.498 1.00 71.32 N ATOM 980 CA PHE A 60 24.029 1.870 5.131 1.00 61.40 C ATOM 981 C PHE A 60 23.142 1.383 6.279 1.00 72.15 C ATOM 982 O PHE A 60 22.161 2.037 6.630 1.00 70.22 O ATOM 983 CB PHE A 60 23.842 0.942 3.929 1.00 54.44 C ATOM 984 CG PHE A 60 22.671 1.328 3.022 1.00 50.10 C ATOM 985 CD1 PHE A 60 22.828 2.302 2.086 1.00 40.20 C ATOM 986 CD2 PHE A 60 21.473 0.697 3.152 1.00 24.12 C ATOM 987 CE1 PHE A 60 21.742 2.660 1.245 1.00 54.23 C ATOM 988 CE2 PHE A 60 20.387 1.055 2.311 1.00 71.12 C ATOM 989 CZ PHE A 60 20.544 2.029 1.375 1.00 50.02 C ATOM 0 H PHE A 60 26.037 1.366 4.806 1.00 71.32 H new ATOM 0 HA PHE A 60 23.747 2.897 4.900 1.00 61.40 H new ATOM 0 HB2 PHE A 60 24.759 0.938 3.340 1.00 54.44 H new ATOM 0 HB3 PHE A 60 23.690 -0.076 4.289 1.00 54.44 H new ATOM 0 HD1 PHE A 60 23.779 2.803 1.983 1.00 40.20 H new ATOM 0 HD2 PHE A 60 21.348 -0.077 3.895 1.00 24.12 H new ATOM 0 HE1 PHE A 60 21.867 3.434 0.502 1.00 54.23 H new ATOM 0 HE2 PHE A 60 19.436 0.554 2.414 1.00 71.12 H new ATOM 0 HZ PHE A 60 19.718 2.301 0.735 1.00 50.02 H new ATOM 999 N VAL A 61 23.518 0.239 6.831 1.00 62.01 N ATOM 1000 CA VAL A 61 22.769 -0.343 7.932 1.00 51.15 C ATOM 1001 C VAL A 61 22.583 0.708 9.028 1.00 24.33 C ATOM 1002 O VAL A 61 21.573 0.707 9.729 1.00 32.54 O ATOM 1003 CB VAL A 61 23.468 -1.609 8.429 1.00 24.50 C ATOM 1004 CG1 VAL A 61 22.594 -2.359 9.436 1.00 1.13 C ATOM 1005 CG2 VAL A 61 23.858 -2.516 7.260 1.00 51.14 C ATOM 0 H VAL A 61 24.332 -0.301 6.536 1.00 62.01 H new ATOM 0 HA VAL A 61 21.776 -0.646 7.601 1.00 51.15 H new ATOM 0 HB VAL A 61 24.383 -1.307 8.939 1.00 24.50 H new ATOM 0 HG11 VAL A 61 23.115 -3.255 9.773 1.00 1.13 H new ATOM 0 HG12 VAL A 61 22.389 -1.715 10.291 1.00 1.13 H new ATOM 0 HG13 VAL A 61 21.654 -2.642 8.962 1.00 1.13 H new ATOM 0 HG21 VAL A 61 24.353 -3.409 7.642 1.00 51.14 H new ATOM 0 HG22 VAL A 61 22.963 -2.805 6.709 1.00 51.14 H new ATOM 0 HG23 VAL A 61 24.536 -1.981 6.595 1.00 51.14 H new ATOM 1015 N TYR A 62 23.575 1.579 9.142 1.00 11.13 N ATOM 1016 CA TYR A 62 23.534 2.633 10.142 1.00 72.11 C ATOM 1017 C TYR A 62 22.681 3.810 9.663 1.00 22.21 C ATOM 1018 O TYR A 62 21.795 4.272 10.381 1.00 65.22 O ATOM 1019 CB TYR A 62 24.979 3.104 10.318 1.00 72.31 C ATOM 1020 CG TYR A 62 25.285 3.668 11.707 1.00 74.22 C ATOM 1021 CD1 TYR A 62 24.888 2.978 12.834 1.00 22.14 C ATOM 1022 CD2 TYR A 62 25.957 4.867 11.832 1.00 31.31 C ATOM 1023 CE1 TYR A 62 25.176 3.509 14.142 1.00 61.23 C ATOM 1024 CE2 TYR A 62 26.245 5.398 13.139 1.00 32.43 C ATOM 1025 CZ TYR A 62 25.840 4.692 14.230 1.00 41.44 C ATOM 1026 OH TYR A 62 26.112 5.194 15.464 1.00 30.12 O ATOM 0 H TYR A 62 24.412 1.577 8.559 1.00 11.13 H new ATOM 0 HA TYR A 62 23.099 2.264 11.071 1.00 72.11 H new ATOM 0 HB2 TYR A 62 25.649 2.267 10.121 1.00 72.31 H new ATOM 0 HB3 TYR A 62 25.195 3.868 9.571 1.00 72.31 H new ATOM 0 HD1 TYR A 62 24.362 2.040 12.736 1.00 22.14 H new ATOM 0 HD2 TYR A 62 26.267 5.407 10.949 1.00 31.31 H new ATOM 0 HE1 TYR A 62 24.871 2.979 15.032 1.00 61.23 H new ATOM 0 HE2 TYR A 62 26.770 6.335 13.251 1.00 32.43 H new ATOM 0 HH TYR A 62 26.592 6.044 15.373 1.00 30.12 H new ATOM 1036 N VAL A 63 22.979 4.261 8.453 1.00 13.15 N ATOM 1037 CA VAL A 63 22.251 5.375 7.870 1.00 14.24 C ATOM 1038 C VAL A 63 20.749 5.152 8.059 1.00 12.35 C ATOM 1039 O VAL A 63 20.026 6.068 8.449 1.00 12.00 O ATOM 1040 CB VAL A 63 22.649 5.550 6.404 1.00 50.44 C ATOM 1041 CG1 VAL A 63 21.550 6.269 5.619 1.00 14.20 C ATOM 1042 CG2 VAL A 63 23.983 6.290 6.282 1.00 14.43 C ATOM 0 H VAL A 63 23.714 3.875 7.861 1.00 13.15 H new ATOM 0 HA VAL A 63 22.508 6.306 8.376 1.00 14.24 H new ATOM 0 HB VAL A 63 22.775 4.558 5.971 1.00 50.44 H new ATOM 0 HG11 VAL A 63 21.859 6.380 4.580 1.00 14.20 H new ATOM 0 HG12 VAL A 63 20.630 5.686 5.664 1.00 14.20 H new ATOM 0 HG13 VAL A 63 21.377 7.254 6.054 1.00 14.20 H new ATOM 0 HG21 VAL A 63 24.243 6.401 5.229 1.00 14.43 H new ATOM 0 HG22 VAL A 63 23.896 7.275 6.740 1.00 14.43 H new ATOM 0 HG23 VAL A 63 24.762 5.722 6.790 1.00 14.43 H new ATOM 1052 N ILE A 64 20.324 3.930 7.775 1.00 50.03 N ATOM 1053 CA ILE A 64 18.921 3.575 7.909 1.00 43.15 C ATOM 1054 C ILE A 64 18.516 3.663 9.381 1.00 32.52 C ATOM 1055 O ILE A 64 17.563 4.360 9.726 1.00 5.42 O ATOM 1056 CB ILE A 64 18.652 2.208 7.277 1.00 51.04 C ATOM 1057 CG1 ILE A 64 18.555 2.317 5.754 1.00 43.55 C ATOM 1058 CG2 ILE A 64 17.407 1.559 7.885 1.00 62.43 C ATOM 1059 CD1 ILE A 64 19.946 2.405 5.121 1.00 74.12 C ATOM 0 H ILE A 64 20.927 3.173 7.453 1.00 50.03 H new ATOM 0 HA ILE A 64 18.295 4.281 7.363 1.00 43.15 H new ATOM 0 HB ILE A 64 19.497 1.557 7.500 1.00 51.04 H new ATOM 0 HG12 ILE A 64 18.025 1.451 5.357 1.00 43.55 H new ATOM 0 HG13 ILE A 64 17.973 3.198 5.485 1.00 43.55 H new ATOM 0 HG21 ILE A 64 17.238 0.589 7.418 1.00 62.43 H new ATOM 0 HG22 ILE A 64 17.553 1.426 8.957 1.00 62.43 H new ATOM 0 HG23 ILE A 64 16.542 2.200 7.713 1.00 62.43 H new ATOM 0 HD11 ILE A 64 19.849 2.482 4.038 1.00 74.12 H new ATOM 0 HD12 ILE A 64 20.464 3.285 5.502 1.00 74.12 H new ATOM 0 HD13 ILE A 64 20.517 1.511 5.372 1.00 74.12 H new ATOM 1071 N ARG A 65 19.259 2.944 10.210 1.00 10.22 N ATOM 1072 CA ARG A 65 18.989 2.932 11.638 1.00 72.22 C ATOM 1073 C ARG A 65 18.774 4.358 12.150 1.00 74.53 C ATOM 1074 O ARG A 65 18.109 4.563 13.164 1.00 24.24 O ATOM 1075 CB ARG A 65 20.142 2.288 12.411 1.00 54.31 C ATOM 1076 CG ARG A 65 19.926 2.413 13.921 1.00 45.14 C ATOM 1077 CD ARG A 65 20.616 1.270 14.669 1.00 50.40 C ATOM 1078 NE ARG A 65 22.026 1.159 14.234 1.00 3.13 N ATOM 1079 CZ ARG A 65 22.946 0.380 14.842 1.00 43.11 C ATOM 1080 NH1 ARG A 65 22.611 -0.364 15.917 1.00 23.13 N ATOM 1081 NH2 ARG A 65 24.178 0.357 14.369 1.00 44.12 N ATOM 0 H ARG A 65 20.048 2.366 9.920 1.00 10.22 H new ATOM 0 HA ARG A 65 18.085 2.344 11.800 1.00 72.22 H new ATOM 0 HB2 ARG A 65 20.225 1.236 12.138 1.00 54.31 H new ATOM 0 HB3 ARG A 65 21.082 2.765 12.134 1.00 54.31 H new ATOM 0 HG2 ARG A 65 20.316 3.369 14.270 1.00 45.14 H new ATOM 0 HG3 ARG A 65 18.859 2.405 14.141 1.00 45.14 H new ATOM 0 HD2 ARG A 65 20.571 1.448 15.743 1.00 50.40 H new ATOM 0 HD3 ARG A 65 20.093 0.332 14.479 1.00 50.40 H new ATOM 0 HE ARG A 65 22.321 1.705 13.425 1.00 3.13 H new ATOM 0 HH11 ARG A 65 21.657 -0.341 16.276 1.00 23.13 H new ATOM 0 HH12 ARG A 65 23.312 -0.950 16.370 1.00 23.13 H new ATOM 0 HH21 ARG A 65 24.423 0.922 13.556 1.00 44.12 H new ATOM 0 HH22 ARG A 65 24.885 -0.226 14.816 1.00 44.12 H new ATOM 1094 N LYS A 66 19.348 5.306 11.424 1.00 32.30 N ATOM 1095 CA LYS A 66 19.227 6.706 11.792 1.00 1.20 C ATOM 1096 C LYS A 66 17.865 7.233 11.335 1.00 3.55 C ATOM 1097 O LYS A 66 17.184 7.932 12.084 1.00 54.22 O ATOM 1098 CB LYS A 66 20.411 7.507 11.247 1.00 41.41 C ATOM 1099 CG LYS A 66 21.716 7.088 11.926 1.00 2.25 C ATOM 1100 CD LYS A 66 21.596 7.182 13.449 1.00 45.41 C ATOM 1101 CE LYS A 66 22.977 7.254 14.104 1.00 42.30 C ATOM 1102 NZ LYS A 66 23.578 8.592 13.901 1.00 21.51 N ATOM 0 H LYS A 66 19.898 5.132 10.583 1.00 32.30 H new ATOM 0 HA LYS A 66 19.266 6.820 12.875 1.00 1.20 H new ATOM 0 HB2 LYS A 66 20.492 7.356 10.171 1.00 41.41 H new ATOM 0 HB3 LYS A 66 20.239 8.571 11.407 1.00 41.41 H new ATOM 0 HG2 LYS A 66 21.968 6.067 11.640 1.00 2.25 H new ATOM 0 HG3 LYS A 66 22.530 7.725 11.582 1.00 2.25 H new ATOM 0 HD2 LYS A 66 21.015 8.064 13.718 1.00 45.41 H new ATOM 0 HD3 LYS A 66 21.054 6.316 13.829 1.00 45.41 H new ATOM 0 HE2 LYS A 66 22.892 7.045 15.170 1.00 42.30 H new ATOM 0 HE3 LYS A 66 23.627 6.489 13.680 1.00 42.30 H new ATOM 0 HZ1 LYS A 66 24.370 8.721 14.562 1.00 21.51 H new ATOM 0 HZ2 LYS A 66 23.926 8.672 12.924 1.00 21.51 H new ATOM 0 HZ3 LYS A 66 22.861 9.325 14.074 1.00 21.51 H new ATOM 1115 N ARG A 67 17.510 6.878 10.110 1.00 52.55 N ATOM 1116 CA ARG A 67 16.242 7.307 9.544 1.00 13.23 C ATOM 1117 C ARG A 67 15.078 6.742 10.362 1.00 42.24 C ATOM 1118 O ARG A 67 13.998 7.329 10.398 1.00 11.11 O ATOM 1119 CB ARG A 67 16.104 6.850 8.091 1.00 41.24 C ATOM 1120 CG ARG A 67 16.611 7.926 7.128 1.00 71.34 C ATOM 1121 CD ARG A 67 15.472 8.846 6.685 1.00 13.31 C ATOM 1122 NE ARG A 67 15.791 9.452 5.373 1.00 71.21 N ATOM 1123 CZ ARG A 67 16.745 10.388 5.183 1.00 31.03 C ATOM 1124 NH1 ARG A 67 17.483 10.835 6.222 1.00 74.50 N ATOM 1125 NH2 ARG A 67 16.945 10.860 3.967 1.00 5.21 N ATOM 0 H ARG A 67 18.078 6.298 9.493 1.00 52.55 H new ATOM 0 HA ARG A 67 16.217 8.396 9.574 1.00 13.23 H new ATOM 0 HB2 ARG A 67 16.666 5.928 7.941 1.00 41.24 H new ATOM 0 HB3 ARG A 67 15.060 6.625 7.874 1.00 41.24 H new ATOM 0 HG2 ARG A 67 17.391 8.514 7.612 1.00 71.34 H new ATOM 0 HG3 ARG A 67 17.063 7.454 6.255 1.00 71.34 H new ATOM 0 HD2 ARG A 67 14.543 8.281 6.617 1.00 13.31 H new ATOM 0 HD3 ARG A 67 15.316 9.628 7.428 1.00 13.31 H new ATOM 0 HE ARG A 67 15.256 9.143 4.561 1.00 71.21 H new ATOM 0 HH11 ARG A 67 17.321 10.465 7.159 1.00 74.50 H new ATOM 0 HH12 ARG A 67 18.202 11.542 6.070 1.00 74.50 H new ATOM 0 HH21 ARG A 67 16.383 10.517 3.188 1.00 5.21 H new ATOM 0 HH22 ARG A 67 17.662 11.568 3.806 1.00 5.21 H new ATOM 1138 N ILE A 68 15.339 5.609 10.997 1.00 15.22 N ATOM 1139 CA ILE A 68 14.326 4.958 11.812 1.00 44.43 C ATOM 1140 C ILE A 68 14.685 5.122 13.290 1.00 31.00 C ATOM 1141 O ILE A 68 13.890 4.785 14.166 1.00 1.02 O ATOM 1142 CB ILE A 68 14.147 3.502 11.380 1.00 35.40 C ATOM 1143 CG1 ILE A 68 15.463 2.916 10.864 1.00 55.22 C ATOM 1144 CG2 ILE A 68 13.019 3.369 10.355 1.00 72.15 C ATOM 1145 CD1 ILE A 68 15.420 1.387 10.866 1.00 64.23 C ATOM 0 H ILE A 68 16.236 5.125 10.964 1.00 15.22 H new ATOM 0 HA ILE A 68 13.355 5.431 11.665 1.00 44.43 H new ATOM 0 HB ILE A 68 13.858 2.920 12.255 1.00 35.40 H new ATOM 0 HG12 ILE A 68 15.654 3.277 9.853 1.00 55.22 H new ATOM 0 HG13 ILE A 68 16.288 3.261 11.487 1.00 55.22 H new ATOM 0 HG21 ILE A 68 12.913 2.324 10.065 1.00 72.15 H new ATOM 0 HG22 ILE A 68 12.085 3.720 10.794 1.00 72.15 H new ATOM 0 HG23 ILE A 68 13.254 3.968 9.475 1.00 72.15 H new ATOM 0 HD11 ILE A 68 16.367 0.996 10.495 1.00 64.23 H new ATOM 0 HD12 ILE A 68 15.253 1.029 11.882 1.00 64.23 H new ATOM 0 HD13 ILE A 68 14.609 1.045 10.223 1.00 64.23 H new ATOM 1157 N MET A 69 15.882 5.639 13.522 1.00 44.22 N ATOM 1158 CA MET A 69 16.356 5.852 14.879 1.00 20.40 C ATOM 1159 C MET A 69 15.950 4.691 15.790 1.00 74.05 C ATOM 1160 O MET A 69 15.332 4.902 16.832 1.00 54.12 O ATOM 1161 CB MET A 69 15.774 7.157 15.425 1.00 74.13 C ATOM 1162 CG MET A 69 14.245 7.140 15.370 1.00 54.22 C ATOM 1163 SD MET A 69 13.588 8.565 16.220 1.00 14.34 S ATOM 1164 CE MET A 69 14.547 9.857 15.448 1.00 41.01 C ATOM 0 H MET A 69 16.539 5.917 12.793 1.00 44.22 H new ATOM 0 HA MET A 69 17.444 5.910 14.859 1.00 20.40 H new ATOM 0 HB2 MET A 69 16.103 7.304 16.454 1.00 74.13 H new ATOM 0 HB3 MET A 69 16.153 7.999 14.846 1.00 74.13 H new ATOM 0 HG2 MET A 69 13.910 7.139 14.333 1.00 54.22 H new ATOM 0 HG3 MET A 69 13.866 6.226 15.828 1.00 54.22 H new ATOM 0 HE1 MET A 69 14.001 10.799 15.506 1.00 41.01 H new ATOM 0 HE2 MET A 69 15.502 9.959 15.963 1.00 41.01 H new ATOM 0 HE3 MET A 69 14.724 9.604 14.403 1.00 41.01 H new ATOM 1174 N LEU A 70 16.313 3.491 15.363 1.00 63.43 N ATOM 1175 CA LEU A 70 15.994 2.296 16.126 1.00 3.34 C ATOM 1176 C LEU A 70 16.810 2.291 17.421 1.00 52.20 C ATOM 1177 O LEU A 70 17.786 3.028 17.547 1.00 44.24 O ATOM 1178 CB LEU A 70 16.192 1.044 15.270 1.00 20.00 C ATOM 1179 CG LEU A 70 14.982 0.595 14.449 1.00 54.02 C ATOM 1180 CD1 LEU A 70 15.383 -0.453 13.409 1.00 52.22 C ATOM 1181 CD2 LEU A 70 13.856 0.098 15.358 1.00 11.22 C ATOM 0 H LEU A 70 16.825 3.320 14.498 1.00 63.43 H new ATOM 0 HA LEU A 70 14.942 2.295 16.411 1.00 3.34 H new ATOM 0 HB2 LEU A 70 17.023 1.222 14.588 1.00 20.00 H new ATOM 0 HB3 LEU A 70 16.487 0.224 15.924 1.00 20.00 H new ATOM 0 HG LEU A 70 14.599 1.459 13.905 1.00 54.02 H new ATOM 0 HD11 LEU A 70 14.504 -0.755 12.839 1.00 52.22 H new ATOM 0 HD12 LEU A 70 16.126 -0.029 12.733 1.00 52.22 H new ATOM 0 HD13 LEU A 70 15.805 -1.323 13.913 1.00 52.22 H new ATOM 0 HD21 LEU A 70 13.008 -0.215 14.749 1.00 11.22 H new ATOM 0 HD22 LEU A 70 14.211 -0.747 15.948 1.00 11.22 H new ATOM 0 HD23 LEU A 70 13.546 0.902 16.026 1.00 11.22 H new ATOM 1193 N PRO A 71 16.367 1.429 18.376 1.00 42.55 N ATOM 1194 CA PRO A 71 17.045 1.319 19.656 1.00 60.41 C ATOM 1195 C PRO A 71 18.357 0.544 19.516 1.00 4.44 C ATOM 1196 O PRO A 71 18.533 -0.222 18.570 1.00 11.52 O ATOM 1197 CB PRO A 71 16.045 0.632 20.572 1.00 2.43 C ATOM 1198 CG PRO A 71 15.028 -0.031 19.658 1.00 44.05 C ATOM 1199 CD PRO A 71 15.214 0.541 18.262 1.00 41.23 C ATOM 0 HA PRO A 71 17.338 2.287 20.062 1.00 60.41 H new ATOM 0 HB2 PRO A 71 16.538 -0.105 21.206 1.00 2.43 H new ATOM 0 HB3 PRO A 71 15.564 1.352 21.234 1.00 2.43 H new ATOM 0 HG2 PRO A 71 15.169 -1.112 19.650 1.00 44.05 H new ATOM 0 HG3 PRO A 71 14.015 0.155 20.015 1.00 44.05 H new ATOM 0 HD2 PRO A 71 15.392 -0.248 17.531 1.00 41.23 H new ATOM 0 HD3 PRO A 71 14.327 1.084 17.935 1.00 41.23 H new ATOM 1207 N PRO A 72 19.269 0.777 20.498 1.00 1.04 N ATOM 1208 CA PRO A 72 20.560 0.110 20.494 1.00 0.33 C ATOM 1209 C PRO A 72 20.423 -1.353 20.920 1.00 10.23 C ATOM 1210 O PRO A 72 21.409 -2.087 20.957 1.00 31.31 O ATOM 1211 CB PRO A 72 21.427 0.926 21.440 1.00 71.41 C ATOM 1212 CG PRO A 72 20.465 1.738 22.292 1.00 72.51 C ATOM 1213 CD PRO A 72 19.096 1.677 21.635 1.00 54.55 C ATOM 0 HA PRO A 72 21.008 0.067 19.501 1.00 0.33 H new ATOM 0 HB2 PRO A 72 22.046 0.277 22.060 1.00 71.41 H new ATOM 0 HB3 PRO A 72 22.103 1.577 20.886 1.00 71.41 H new ATOM 0 HG2 PRO A 72 20.421 1.338 23.305 1.00 72.51 H new ATOM 0 HG3 PRO A 72 20.804 2.771 22.372 1.00 72.51 H new ATOM 0 HD2 PRO A 72 18.342 1.301 22.326 1.00 54.55 H new ATOM 0 HD3 PRO A 72 18.768 2.665 21.312 1.00 54.55 H new ATOM 1221 N GLU A 73 19.192 -1.732 21.231 1.00 23.53 N ATOM 1222 CA GLU A 73 18.913 -3.095 21.653 1.00 4.31 C ATOM 1223 C GLU A 73 18.357 -3.909 20.484 1.00 72.15 C ATOM 1224 O GLU A 73 18.350 -5.138 20.526 1.00 33.32 O ATOM 1225 CB GLU A 73 17.951 -3.114 22.842 1.00 31.31 C ATOM 1226 CG GLU A 73 16.504 -2.928 22.380 1.00 63.43 C ATOM 1227 CD GLU A 73 15.579 -2.657 23.568 1.00 45.10 C ATOM 1228 OE1 GLU A 73 15.568 -3.433 24.535 1.00 62.22 O ATOM 1229 OE2 GLU A 73 14.855 -1.595 23.463 1.00 0.34 O ATOM 0 H GLU A 73 18.377 -1.120 21.199 1.00 23.53 H new ATOM 0 HA GLU A 73 19.847 -3.553 21.977 1.00 4.31 H new ATOM 0 HB2 GLU A 73 18.047 -4.059 23.377 1.00 31.31 H new ATOM 0 HB3 GLU A 73 18.217 -2.323 23.543 1.00 31.31 H new ATOM 0 HG2 GLU A 73 16.448 -2.099 21.674 1.00 63.43 H new ATOM 0 HG3 GLU A 73 16.170 -3.820 21.851 1.00 63.43 H new ATOM 1237 N LYS A 74 17.904 -3.191 19.467 1.00 53.15 N ATOM 1238 CA LYS A 74 17.346 -3.832 18.287 1.00 4.54 C ATOM 1239 C LYS A 74 18.456 -4.045 17.256 1.00 50.02 C ATOM 1240 O LYS A 74 19.597 -3.639 17.473 1.00 74.12 O ATOM 1241 CB LYS A 74 16.157 -3.031 17.754 1.00 12.43 C ATOM 1242 CG LYS A 74 14.841 -3.550 18.337 1.00 12.33 C ATOM 1243 CD LYS A 74 13.700 -3.406 17.328 1.00 32.51 C ATOM 1244 CE LYS A 74 13.521 -4.691 16.517 1.00 61.23 C ATOM 1245 NZ LYS A 74 12.850 -5.729 17.331 1.00 74.14 N ATOM 0 H LYS A 74 17.912 -2.172 19.435 1.00 53.15 H new ATOM 0 HA LYS A 74 16.950 -4.816 18.539 1.00 4.54 H new ATOM 0 HB2 LYS A 74 16.281 -1.978 18.007 1.00 12.43 H new ATOM 0 HB3 LYS A 74 16.128 -3.096 16.666 1.00 12.43 H new ATOM 0 HG2 LYS A 74 14.952 -4.597 18.619 1.00 12.33 H new ATOM 0 HG3 LYS A 74 14.599 -2.999 19.246 1.00 12.33 H new ATOM 0 HD2 LYS A 74 12.774 -3.170 17.852 1.00 32.51 H new ATOM 0 HD3 LYS A 74 13.907 -2.573 16.656 1.00 32.51 H new ATOM 0 HE2 LYS A 74 12.932 -4.485 15.623 1.00 61.23 H new ATOM 0 HE3 LYS A 74 14.492 -5.055 16.182 1.00 61.23 H new ATOM 0 HZ1 LYS A 74 12.509 -6.491 16.710 1.00 74.14 H new ATOM 0 HZ2 LYS A 74 13.524 -6.120 18.020 1.00 74.14 H new ATOM 0 HZ3 LYS A 74 12.044 -5.307 17.836 1.00 74.14 H new ATOM 1258 N ALA A 75 18.083 -4.682 16.156 1.00 54.45 N ATOM 1259 CA ALA A 75 19.032 -4.954 15.090 1.00 51.13 C ATOM 1260 C ALA A 75 18.280 -5.083 13.764 1.00 70.54 C ATOM 1261 O ALA A 75 17.549 -6.050 13.552 1.00 11.22 O ATOM 1262 CB ALA A 75 19.835 -6.211 15.430 1.00 72.11 C ATOM 0 H ALA A 75 17.136 -5.018 15.980 1.00 54.45 H new ATOM 0 HA ALA A 75 19.741 -4.132 14.988 1.00 51.13 H new ATOM 0 HB1 ALA A 75 20.547 -6.415 14.630 1.00 72.11 H new ATOM 0 HB2 ALA A 75 20.374 -6.057 16.365 1.00 72.11 H new ATOM 0 HB3 ALA A 75 19.157 -7.058 15.537 1.00 72.11 H new ATOM 1268 N ILE A 76 18.485 -4.096 12.905 1.00 44.14 N ATOM 1269 CA ILE A 76 17.836 -4.087 11.605 1.00 60.22 C ATOM 1270 C ILE A 76 18.768 -4.720 10.570 1.00 61.24 C ATOM 1271 O ILE A 76 19.979 -4.510 10.609 1.00 24.11 O ATOM 1272 CB ILE A 76 17.384 -2.672 11.241 1.00 10.51 C ATOM 1273 CG1 ILE A 76 16.233 -2.705 10.233 1.00 23.32 C ATOM 1274 CG2 ILE A 76 18.561 -1.832 10.740 1.00 72.03 C ATOM 1275 CD1 ILE A 76 15.666 -1.303 10.001 1.00 23.32 C ATOM 0 H ILE A 76 19.092 -3.296 13.084 1.00 44.14 H new ATOM 0 HA ILE A 76 16.928 -4.690 11.629 1.00 60.22 H new ATOM 0 HB ILE A 76 17.007 -2.192 12.144 1.00 10.51 H new ATOM 0 HG12 ILE A 76 16.584 -3.120 9.288 1.00 23.32 H new ATOM 0 HG13 ILE A 76 15.445 -3.364 10.597 1.00 23.32 H new ATOM 0 HG21 ILE A 76 18.212 -0.831 10.488 1.00 72.03 H new ATOM 0 HG22 ILE A 76 19.319 -1.766 11.520 1.00 72.03 H new ATOM 0 HG23 ILE A 76 18.991 -2.300 9.854 1.00 72.03 H new ATOM 0 HD11 ILE A 76 14.850 -1.355 9.281 1.00 23.32 H new ATOM 0 HD12 ILE A 76 15.293 -0.901 10.943 1.00 23.32 H new ATOM 0 HD13 ILE A 76 16.450 -0.653 9.614 1.00 23.32 H new ATOM 1287 N PHE A 77 18.168 -5.482 9.667 1.00 34.45 N ATOM 1288 CA PHE A 77 18.929 -6.147 8.624 1.00 72.34 C ATOM 1289 C PHE A 77 18.656 -5.514 7.258 1.00 50.22 C ATOM 1290 O PHE A 77 17.702 -4.753 7.102 1.00 71.22 O ATOM 1291 CB PHE A 77 18.470 -7.607 8.596 1.00 3.33 C ATOM 1292 CG PHE A 77 18.917 -8.422 9.811 1.00 24.13 C ATOM 1293 CD1 PHE A 77 20.117 -9.063 9.796 1.00 10.12 C ATOM 1294 CD2 PHE A 77 18.115 -8.506 10.906 1.00 23.33 C ATOM 1295 CE1 PHE A 77 20.532 -9.820 10.924 1.00 52.33 C ATOM 1296 CE2 PHE A 77 18.530 -9.263 12.034 1.00 61.21 C ATOM 1297 CZ PHE A 77 19.730 -9.904 12.019 1.00 53.03 C ATOM 0 H PHE A 77 17.163 -5.653 9.637 1.00 34.45 H new ATOM 0 HA PHE A 77 19.996 -6.059 8.829 1.00 72.34 H new ATOM 0 HB2 PHE A 77 17.382 -7.634 8.533 1.00 3.33 H new ATOM 0 HB3 PHE A 77 18.853 -8.081 7.692 1.00 3.33 H new ATOM 0 HD1 PHE A 77 20.754 -8.996 8.926 1.00 10.12 H new ATOM 0 HD2 PHE A 77 17.162 -7.997 10.918 1.00 23.33 H new ATOM 0 HE1 PHE A 77 21.485 -10.329 10.912 1.00 52.33 H new ATOM 0 HE2 PHE A 77 17.893 -9.330 12.904 1.00 61.21 H new ATOM 0 HZ PHE A 77 20.046 -10.479 12.877 1.00 53.03 H new ATOM 1307 N ILE A 78 19.511 -5.851 6.303 1.00 11.34 N ATOM 1308 CA ILE A 78 19.374 -5.324 4.956 1.00 70.30 C ATOM 1309 C ILE A 78 19.250 -6.487 3.969 1.00 4.11 C ATOM 1310 O ILE A 78 20.001 -7.458 4.051 1.00 34.14 O ATOM 1311 CB ILE A 78 20.523 -4.365 4.636 1.00 34.51 C ATOM 1312 CG1 ILE A 78 20.938 -3.574 5.878 1.00 65.50 C ATOM 1313 CG2 ILE A 78 20.161 -3.448 3.466 1.00 10.24 C ATOM 1314 CD1 ILE A 78 19.849 -2.580 6.285 1.00 30.53 C ATOM 0 H ILE A 78 20.301 -6.482 6.436 1.00 11.34 H new ATOM 0 HA ILE A 78 18.463 -4.732 4.869 1.00 70.30 H new ATOM 0 HB ILE A 78 21.386 -4.955 4.327 1.00 34.51 H new ATOM 0 HG12 ILE A 78 21.135 -4.260 6.702 1.00 65.50 H new ATOM 0 HG13 ILE A 78 21.867 -3.040 5.679 1.00 65.50 H new ATOM 0 HG21 ILE A 78 20.994 -2.776 3.259 1.00 10.24 H new ATOM 0 HG22 ILE A 78 19.952 -4.051 2.582 1.00 10.24 H new ATOM 0 HG23 ILE A 78 19.278 -2.862 3.722 1.00 10.24 H new ATOM 0 HD11 ILE A 78 20.170 -2.031 7.170 1.00 30.53 H new ATOM 0 HD12 ILE A 78 19.672 -1.880 5.469 1.00 30.53 H new ATOM 0 HD13 ILE A 78 18.928 -3.120 6.507 1.00 30.53 H new ATOM 1326 N PHE A 79 18.298 -6.349 3.058 1.00 30.44 N ATOM 1327 CA PHE A 79 18.066 -7.376 2.057 1.00 64.23 C ATOM 1328 C PHE A 79 17.989 -6.767 0.655 1.00 31.41 C ATOM 1329 O PHE A 79 17.286 -5.781 0.441 1.00 73.21 O ATOM 1330 CB PHE A 79 16.725 -8.032 2.390 1.00 52.30 C ATOM 1331 CG PHE A 79 16.752 -8.898 3.651 1.00 13.53 C ATOM 1332 CD1 PHE A 79 16.630 -8.319 4.876 1.00 12.10 C ATOM 1333 CD2 PHE A 79 16.898 -10.246 3.548 1.00 55.34 C ATOM 1334 CE1 PHE A 79 16.655 -9.122 6.046 1.00 33.45 C ATOM 1335 CE2 PHE A 79 16.923 -11.049 4.718 1.00 35.22 C ATOM 1336 CZ PHE A 79 16.801 -10.471 5.943 1.00 54.51 C ATOM 0 H PHE A 79 17.678 -5.541 2.992 1.00 30.44 H new ATOM 0 HA PHE A 79 18.884 -8.096 2.067 1.00 64.23 H new ATOM 0 HB2 PHE A 79 15.972 -7.254 2.512 1.00 52.30 H new ATOM 0 HB3 PHE A 79 16.414 -8.647 1.546 1.00 52.30 H new ATOM 0 HD1 PHE A 79 16.514 -7.248 4.958 1.00 12.10 H new ATOM 0 HD2 PHE A 79 16.995 -10.706 2.576 1.00 55.34 H new ATOM 0 HE1 PHE A 79 16.558 -8.662 7.018 1.00 33.45 H new ATOM 0 HE2 PHE A 79 17.039 -12.120 4.635 1.00 35.22 H new ATOM 0 HZ PHE A 79 16.820 -11.082 6.833 1.00 54.51 H new ATOM 1346 N VAL A 80 18.721 -7.381 -0.263 1.00 43.50 N ATOM 1347 CA VAL A 80 18.744 -6.911 -1.638 1.00 63.30 C ATOM 1348 C VAL A 80 18.617 -8.108 -2.583 1.00 1.11 C ATOM 1349 O VAL A 80 19.196 -9.164 -2.334 1.00 32.32 O ATOM 1350 CB VAL A 80 20.007 -6.084 -1.888 1.00 20.04 C ATOM 1351 CG1 VAL A 80 21.234 -6.755 -1.266 1.00 54.21 C ATOM 1352 CG2 VAL A 80 20.215 -5.839 -3.383 1.00 51.34 C ATOM 0 H VAL A 80 19.302 -8.199 -0.082 1.00 43.50 H new ATOM 0 HA VAL A 80 17.897 -6.252 -1.831 1.00 63.30 H new ATOM 0 HB VAL A 80 19.874 -5.116 -1.406 1.00 20.04 H new ATOM 0 HG11 VAL A 80 22.118 -6.147 -1.458 1.00 54.21 H new ATOM 0 HG12 VAL A 80 21.088 -6.854 -0.190 1.00 54.21 H new ATOM 0 HG13 VAL A 80 21.371 -7.743 -1.706 1.00 54.21 H new ATOM 0 HG21 VAL A 80 21.119 -5.249 -3.533 1.00 51.34 H new ATOM 0 HG22 VAL A 80 20.316 -6.795 -3.898 1.00 51.34 H new ATOM 0 HG23 VAL A 80 19.358 -5.299 -3.786 1.00 51.34 H new ATOM 1362 N ASN A 81 17.856 -7.902 -3.648 1.00 21.12 N ATOM 1363 CA ASN A 81 17.646 -8.951 -4.631 1.00 54.12 C ATOM 1364 C ASN A 81 17.241 -10.241 -3.916 1.00 35.14 C ATOM 1365 O ASN A 81 17.576 -11.336 -4.365 1.00 52.10 O ATOM 1366 CB ASN A 81 18.926 -9.230 -5.421 1.00 73.21 C ATOM 1367 CG ASN A 81 18.974 -8.394 -6.701 1.00 53.23 C ATOM 1368 OD1 ASN A 81 19.018 -7.082 -6.489 1.00 4.23 O flip ATOM 1369 ND2 ASN A 81 18.970 -8.906 -7.809 1.00 2.32 N flip ATOM 0 H ASN A 81 17.378 -7.024 -3.851 1.00 21.12 H new ATOM 0 HA ASN A 81 16.865 -8.620 -5.315 1.00 54.12 H new ATOM 0 HB2 ASN A 81 19.795 -9.005 -4.803 1.00 73.21 H new ATOM 0 HB3 ASN A 81 18.979 -10.289 -5.672 1.00 73.21 H new ATOM 0 HD21 ASN A 81 18.935 -9.921 -7.902 1.00 2.32 H new ATOM 0 HD22 ASN A 81 19.002 -8.319 -8.642 1.00 2.32 H new ATOM 1376 N ASP A 82 16.525 -10.069 -2.814 1.00 21.42 N ATOM 1377 CA ASP A 82 16.071 -11.207 -2.032 1.00 13.43 C ATOM 1378 C ASP A 82 17.283 -11.946 -1.463 1.00 4.25 C ATOM 1379 O ASP A 82 17.283 -13.173 -1.377 1.00 11.20 O ATOM 1380 CB ASP A 82 15.281 -12.190 -2.897 1.00 70.24 C ATOM 1381 CG ASP A 82 14.309 -13.090 -2.131 1.00 52.44 C ATOM 1382 OD1 ASP A 82 14.554 -14.293 -1.958 1.00 13.34 O ATOM 1383 OD2 ASP A 82 13.247 -12.500 -1.698 1.00 14.30 O ATOM 0 H ASP A 82 16.248 -9.159 -2.444 1.00 21.42 H new ATOM 0 HA ASP A 82 15.429 -10.833 -1.234 1.00 13.43 H new ATOM 0 HB2 ASP A 82 14.720 -11.625 -3.642 1.00 70.24 H new ATOM 0 HB3 ASP A 82 15.985 -12.820 -3.440 1.00 70.24 H new ATOM 1389 N THR A 83 18.288 -11.168 -1.088 1.00 43.20 N ATOM 1390 CA THR A 83 19.505 -11.733 -0.529 1.00 74.34 C ATOM 1391 C THR A 83 19.973 -10.910 0.672 1.00 13.01 C ATOM 1392 O THR A 83 19.279 -9.993 1.109 1.00 31.00 O ATOM 1393 CB THR A 83 20.544 -11.819 -1.649 1.00 73.11 C ATOM 1394 OG1 THR A 83 21.357 -12.931 -1.284 1.00 75.10 O ATOM 1395 CG2 THR A 83 21.510 -10.633 -1.643 1.00 64.10 C ATOM 0 H THR A 83 18.285 -10.151 -1.160 1.00 43.20 H new ATOM 0 HA THR A 83 19.334 -12.739 -0.146 1.00 74.34 H new ATOM 0 HB THR A 83 20.036 -11.869 -2.612 1.00 73.11 H new ATOM 0 HG1 THR A 83 22.057 -13.060 -1.958 1.00 75.10 H new ATOM 0 HG21 THR A 83 22.226 -10.743 -2.457 1.00 64.10 H new ATOM 0 HG22 THR A 83 20.950 -9.707 -1.775 1.00 64.10 H new ATOM 0 HG23 THR A 83 22.043 -10.603 -0.693 1.00 64.10 H new ATOM 1403 N LEU A 84 21.146 -11.267 1.172 1.00 4.14 N ATOM 1404 CA LEU A 84 21.715 -10.573 2.315 1.00 44.40 C ATOM 1405 C LEU A 84 23.236 -10.508 2.162 1.00 63.44 C ATOM 1406 O LEU A 84 23.944 -11.430 2.565 1.00 71.23 O ATOM 1407 CB LEU A 84 21.256 -11.224 3.621 1.00 51.10 C ATOM 1408 CG LEU A 84 21.114 -10.288 4.823 1.00 24.45 C ATOM 1409 CD1 LEU A 84 19.660 -9.851 5.010 1.00 44.35 C ATOM 1410 CD2 LEU A 84 21.686 -10.932 6.089 1.00 52.33 C ATOM 0 H LEU A 84 21.719 -12.028 0.807 1.00 4.14 H new ATOM 0 HA LEU A 84 21.354 -9.545 2.354 1.00 44.40 H new ATOM 0 HB2 LEU A 84 20.294 -11.706 3.445 1.00 51.10 H new ATOM 0 HB3 LEU A 84 21.964 -12.011 3.880 1.00 51.10 H new ATOM 0 HG LEU A 84 21.697 -9.388 4.626 1.00 24.45 H new ATOM 0 HD11 LEU A 84 19.588 -9.187 5.871 1.00 44.35 H new ATOM 0 HD12 LEU A 84 19.320 -9.326 4.117 1.00 44.35 H new ATOM 0 HD13 LEU A 84 19.035 -10.728 5.175 1.00 44.35 H new ATOM 0 HD21 LEU A 84 21.573 -10.247 6.929 1.00 52.33 H new ATOM 0 HD22 LEU A 84 21.150 -11.857 6.301 1.00 52.33 H new ATOM 0 HD23 LEU A 84 22.743 -11.152 5.940 1.00 52.33 H new ATOM 1422 N PRO A 85 23.707 -9.382 1.563 1.00 55.45 N ATOM 1423 CA PRO A 85 25.131 -9.185 1.351 1.00 75.01 C ATOM 1424 C PRO A 85 25.835 -8.824 2.660 1.00 32.35 C ATOM 1425 O PRO A 85 25.181 -8.540 3.663 1.00 45.41 O ATOM 1426 CB PRO A 85 25.225 -8.087 0.304 1.00 72.42 C ATOM 1427 CG PRO A 85 23.874 -7.390 0.309 1.00 44.45 C ATOM 1428 CD PRO A 85 22.898 -8.269 1.072 1.00 20.15 C ATOM 0 HA PRO A 85 25.634 -10.089 1.007 1.00 75.01 H new ATOM 0 HB2 PRO A 85 26.026 -7.388 0.542 1.00 72.42 H new ATOM 0 HB3 PRO A 85 25.447 -8.503 -0.679 1.00 72.42 H new ATOM 0 HG2 PRO A 85 23.952 -6.410 0.779 1.00 44.45 H new ATOM 0 HG3 PRO A 85 23.525 -7.228 -0.711 1.00 44.45 H new ATOM 0 HD2 PRO A 85 22.434 -7.724 1.894 1.00 20.15 H new ATOM 0 HD3 PRO A 85 22.093 -8.619 0.427 1.00 20.15 H new ATOM 1436 N PRO A 86 27.194 -8.848 2.608 1.00 74.51 N ATOM 1437 CA PRO A 86 27.994 -8.527 3.777 1.00 33.34 C ATOM 1438 C PRO A 86 27.996 -7.021 4.043 1.00 3.51 C ATOM 1439 O PRO A 86 27.526 -6.240 3.217 1.00 70.12 O ATOM 1440 CB PRO A 86 29.377 -9.079 3.472 1.00 75.04 C ATOM 1441 CG PRO A 86 29.424 -9.273 1.965 1.00 71.42 C ATOM 1442 CD PRO A 86 28.001 -9.181 1.438 1.00 62.10 C ATOM 0 HA PRO A 86 27.598 -8.968 4.692 1.00 33.34 H new ATOM 0 HB2 PRO A 86 30.154 -8.390 3.802 1.00 75.04 H new ATOM 0 HB3 PRO A 86 29.545 -10.022 3.993 1.00 75.04 H new ATOM 0 HG2 PRO A 86 30.052 -8.512 1.502 1.00 71.42 H new ATOM 0 HG3 PRO A 86 29.861 -10.241 1.718 1.00 71.42 H new ATOM 0 HD2 PRO A 86 27.913 -8.417 0.666 1.00 62.10 H new ATOM 0 HD3 PRO A 86 27.682 -10.123 0.992 1.00 62.10 H new ATOM 1450 N THR A 87 28.531 -6.657 5.199 1.00 5.22 N ATOM 1451 CA THR A 87 28.602 -5.257 5.584 1.00 33.40 C ATOM 1452 C THR A 87 29.849 -4.602 4.988 1.00 62.32 C ATOM 1453 O THR A 87 29.919 -3.379 4.876 1.00 62.43 O ATOM 1454 CB THR A 87 28.548 -5.184 7.111 1.00 13.32 C ATOM 1455 OG1 THR A 87 28.955 -3.851 7.409 1.00 32.12 O ATOM 1456 CG2 THR A 87 29.613 -6.057 7.778 1.00 42.54 C ATOM 0 H THR A 87 28.920 -7.307 5.882 1.00 5.22 H new ATOM 0 HA THR A 87 27.757 -4.694 5.187 1.00 33.40 H new ATOM 0 HB THR A 87 27.560 -5.492 7.454 1.00 13.32 H new ATOM 0 HG1 THR A 87 28.947 -3.716 8.380 1.00 32.12 H new ATOM 0 HG21 THR A 87 29.530 -5.968 8.861 1.00 42.54 H new ATOM 0 HG22 THR A 87 29.466 -7.097 7.487 1.00 42.54 H new ATOM 0 HG23 THR A 87 30.603 -5.729 7.462 1.00 42.54 H new ATOM 1464 N ALA A 88 30.803 -5.445 4.621 1.00 22.41 N ATOM 1465 CA ALA A 88 32.044 -4.964 4.039 1.00 5.21 C ATOM 1466 C ALA A 88 31.815 -4.629 2.564 1.00 60.31 C ATOM 1467 O ALA A 88 32.491 -3.766 2.007 1.00 11.51 O ATOM 1468 CB ALA A 88 33.141 -6.012 4.236 1.00 62.45 C ATOM 0 H ALA A 88 30.741 -6.459 4.716 1.00 22.41 H new ATOM 0 HA ALA A 88 32.372 -4.052 4.537 1.00 5.21 H new ATOM 0 HB1 ALA A 88 34.072 -5.651 3.799 1.00 62.45 H new ATOM 0 HB2 ALA A 88 33.286 -6.191 5.301 1.00 62.45 H new ATOM 0 HB3 ALA A 88 32.848 -6.942 3.748 1.00 62.45 H new ATOM 1474 N ALA A 89 30.859 -5.331 1.973 1.00 62.02 N ATOM 1475 CA ALA A 89 30.532 -5.119 0.573 1.00 62.41 C ATOM 1476 C ALA A 89 30.482 -3.617 0.287 1.00 61.22 C ATOM 1477 O ALA A 89 29.979 -2.843 1.100 1.00 75.35 O ATOM 1478 CB ALA A 89 29.212 -5.820 0.245 1.00 12.44 C ATOM 0 H ALA A 89 30.301 -6.047 2.438 1.00 62.02 H new ATOM 0 HA ALA A 89 31.299 -5.551 -0.070 1.00 62.41 H new ATOM 0 HB1 ALA A 89 28.967 -5.661 -0.805 1.00 12.44 H new ATOM 0 HB2 ALA A 89 29.310 -6.888 0.437 1.00 12.44 H new ATOM 0 HB3 ALA A 89 28.418 -5.411 0.869 1.00 12.44 H new ATOM 1484 N LEU A 90 31.011 -3.250 -0.871 1.00 3.21 N ATOM 1485 CA LEU A 90 31.033 -1.854 -1.274 1.00 62.14 C ATOM 1486 C LEU A 90 29.752 -1.531 -2.046 1.00 45.43 C ATOM 1487 O LEU A 90 29.342 -2.291 -2.922 1.00 4.10 O ATOM 1488 CB LEU A 90 32.314 -1.541 -2.050 1.00 4.42 C ATOM 1489 CG LEU A 90 32.923 -0.157 -1.809 1.00 74.43 C ATOM 1490 CD1 LEU A 90 33.242 0.051 -0.328 1.00 21.13 C ATOM 1491 CD2 LEU A 90 34.149 0.064 -2.697 1.00 11.31 C ATOM 0 H LEU A 90 31.427 -3.895 -1.543 1.00 3.21 H new ATOM 0 HA LEU A 90 31.051 -1.205 -0.399 1.00 62.14 H new ATOM 0 HB2 LEU A 90 33.061 -2.294 -1.798 1.00 4.42 H new ATOM 0 HB3 LEU A 90 32.105 -1.644 -3.115 1.00 4.42 H new ATOM 0 HG LEU A 90 32.185 0.595 -2.087 1.00 74.43 H new ATOM 0 HD11 LEU A 90 33.673 1.042 -0.184 1.00 21.13 H new ATOM 0 HD12 LEU A 90 32.326 -0.034 0.257 1.00 21.13 H new ATOM 0 HD13 LEU A 90 33.954 -0.706 0.001 1.00 21.13 H new ATOM 0 HD21 LEU A 90 34.563 1.054 -2.506 1.00 11.31 H new ATOM 0 HD22 LEU A 90 34.901 -0.693 -2.474 1.00 11.31 H new ATOM 0 HD23 LEU A 90 33.858 -0.012 -3.745 1.00 11.31 H new ATOM 1503 N MET A 91 29.156 -0.401 -1.694 1.00 22.24 N ATOM 1504 CA MET A 91 27.930 0.032 -2.342 1.00 44.23 C ATOM 1505 C MET A 91 28.143 0.220 -3.846 1.00 14.32 C ATOM 1506 O MET A 91 27.180 0.299 -4.607 1.00 53.11 O ATOM 1507 CB MET A 91 27.464 1.351 -1.723 1.00 40.43 C ATOM 1508 CG MET A 91 27.281 1.213 -0.211 1.00 33.34 C ATOM 1509 SD MET A 91 26.169 -0.137 0.148 1.00 13.44 S ATOM 1510 CE MET A 91 24.804 0.294 -0.919 1.00 0.24 C ATOM 0 H MET A 91 29.500 0.228 -0.968 1.00 22.24 H new ATOM 0 HA MET A 91 27.171 -0.736 -2.194 1.00 44.23 H new ATOM 0 HB2 MET A 91 28.193 2.134 -1.935 1.00 40.43 H new ATOM 0 HB3 MET A 91 26.524 1.659 -2.180 1.00 40.43 H new ATOM 0 HG2 MET A 91 28.245 1.038 0.266 1.00 33.34 H new ATOM 0 HG3 MET A 91 26.885 2.141 0.202 1.00 33.34 H new ATOM 0 HE1 MET A 91 23.887 -0.155 -0.537 1.00 0.24 H new ATOM 0 HE2 MET A 91 24.692 1.378 -0.947 1.00 0.24 H new ATOM 0 HE3 MET A 91 24.998 -0.077 -1.925 1.00 0.24 H new ATOM 1520 N SER A 92 29.409 0.287 -4.228 1.00 63.15 N ATOM 1521 CA SER A 92 29.760 0.464 -5.627 1.00 41.33 C ATOM 1522 C SER A 92 29.710 -0.881 -6.354 1.00 62.20 C ATOM 1523 O SER A 92 29.148 -0.982 -7.443 1.00 75.12 O ATOM 1524 CB SER A 92 31.147 1.094 -5.772 1.00 12.33 C ATOM 1525 OG SER A 92 32.184 0.198 -5.381 1.00 53.12 O ATOM 0 H SER A 92 30.205 0.222 -3.593 1.00 63.15 H new ATOM 0 HA SER A 92 29.034 1.141 -6.078 1.00 41.33 H new ATOM 0 HB2 SER A 92 31.301 1.397 -6.808 1.00 12.33 H new ATOM 0 HB3 SER A 92 31.200 1.997 -5.164 1.00 12.33 H new ATOM 0 HG SER A 92 33.033 0.489 -5.774 1.00 53.12 H new ATOM 1531 N ALA A 93 30.306 -1.881 -5.722 1.00 24.41 N ATOM 1532 CA ALA A 93 30.337 -3.216 -6.295 1.00 20.55 C ATOM 1533 C ALA A 93 28.948 -3.848 -6.180 1.00 2.04 C ATOM 1534 O ALA A 93 28.563 -4.664 -7.015 1.00 35.41 O ATOM 1535 CB ALA A 93 31.415 -4.047 -5.596 1.00 30.35 C ATOM 0 H ALA A 93 30.771 -1.794 -4.819 1.00 24.41 H new ATOM 0 HA ALA A 93 30.593 -3.173 -7.354 1.00 20.55 H new ATOM 0 HB1 ALA A 93 31.438 -5.048 -6.026 1.00 30.35 H new ATOM 0 HB2 ALA A 93 32.386 -3.571 -5.732 1.00 30.35 H new ATOM 0 HB3 ALA A 93 31.190 -4.114 -4.532 1.00 30.35 H new ATOM 1541 N ILE A 94 28.235 -3.446 -5.138 1.00 72.00 N ATOM 1542 CA ILE A 94 26.897 -3.962 -4.903 1.00 61.40 C ATOM 1543 C ILE A 94 25.953 -3.433 -5.985 1.00 25.21 C ATOM 1544 O ILE A 94 25.375 -4.210 -6.743 1.00 42.04 O ATOM 1545 CB ILE A 94 26.441 -3.641 -3.478 1.00 42.34 C ATOM 1546 CG1 ILE A 94 27.319 -4.353 -2.448 1.00 24.23 C ATOM 1547 CG2 ILE A 94 24.958 -3.966 -3.291 1.00 20.23 C ATOM 1548 CD1 ILE A 94 26.953 -5.835 -2.346 1.00 35.05 C ATOM 0 H ILE A 94 28.559 -2.769 -4.447 1.00 72.00 H new ATOM 0 HA ILE A 94 26.890 -5.049 -4.978 1.00 61.40 H new ATOM 0 HB ILE A 94 26.558 -2.570 -3.315 1.00 42.34 H new ATOM 0 HG12 ILE A 94 28.368 -4.252 -2.727 1.00 24.23 H new ATOM 0 HG13 ILE A 94 27.201 -3.878 -1.474 1.00 24.23 H new ATOM 0 HG21 ILE A 94 24.659 -3.729 -2.270 1.00 20.23 H new ATOM 0 HG22 ILE A 94 24.365 -3.375 -3.989 1.00 20.23 H new ATOM 0 HG23 ILE A 94 24.791 -5.026 -3.481 1.00 20.23 H new ATOM 0 HD11 ILE A 94 27.592 -6.318 -1.607 1.00 35.05 H new ATOM 0 HD12 ILE A 94 25.910 -5.932 -2.043 1.00 35.05 H new ATOM 0 HD13 ILE A 94 27.095 -6.312 -3.316 1.00 35.05 H new ATOM 1560 N TYR A 95 25.827 -2.115 -6.022 1.00 1.13 N ATOM 1561 CA TYR A 95 24.964 -1.473 -6.998 1.00 55.21 C ATOM 1562 C TYR A 95 25.400 -1.813 -8.424 1.00 64.33 C ATOM 1563 O TYR A 95 24.637 -1.631 -9.371 1.00 50.04 O ATOM 1564 CB TYR A 95 25.121 0.033 -6.775 1.00 20.42 C ATOM 1565 CG TYR A 95 24.520 0.893 -7.888 1.00 34.11 C ATOM 1566 CD1 TYR A 95 25.122 0.936 -9.129 1.00 2.24 C ATOM 1567 CD2 TYR A 95 23.374 1.626 -7.651 1.00 62.21 C ATOM 1568 CE1 TYR A 95 24.556 1.746 -10.176 1.00 62.02 C ATOM 1569 CE2 TYR A 95 22.808 2.436 -8.699 1.00 22.43 C ATOM 1570 CZ TYR A 95 23.427 2.456 -9.910 1.00 21.35 C ATOM 1571 OH TYR A 95 22.892 3.221 -10.899 1.00 25.51 O ATOM 0 H TYR A 95 26.308 -1.474 -5.391 1.00 1.13 H new ATOM 0 HA TYR A 95 23.934 -1.808 -6.878 1.00 55.21 H new ATOM 0 HB2 TYR A 95 24.651 0.301 -5.829 1.00 20.42 H new ATOM 0 HB3 TYR A 95 26.181 0.267 -6.681 1.00 20.42 H new ATOM 0 HD1 TYR A 95 26.018 0.362 -9.315 1.00 2.24 H new ATOM 0 HD2 TYR A 95 22.902 1.592 -6.680 1.00 62.21 H new ATOM 0 HE1 TYR A 95 25.018 1.789 -11.151 1.00 62.02 H new ATOM 0 HE2 TYR A 95 21.912 3.014 -8.527 1.00 22.43 H new ATOM 0 HH TYR A 95 22.003 2.880 -11.131 1.00 25.51 H new ATOM 1581 N GLN A 96 26.627 -2.302 -8.533 1.00 2.24 N ATOM 1582 CA GLN A 96 27.175 -2.669 -9.827 1.00 73.54 C ATOM 1583 C GLN A 96 26.517 -3.954 -10.336 1.00 44.14 C ATOM 1584 O GLN A 96 26.243 -4.084 -11.528 1.00 75.52 O ATOM 1585 CB GLN A 96 28.695 -2.823 -9.756 1.00 43.21 C ATOM 1586 CG GLN A 96 29.398 -1.579 -10.303 1.00 42.15 C ATOM 1587 CD GLN A 96 30.769 -1.392 -9.650 1.00 40.32 C ATOM 1588 OE1 GLN A 96 31.079 -0.357 -9.084 1.00 2.34 O ATOM 1589 NE2 GLN A 96 31.570 -2.448 -9.761 1.00 33.05 N ATOM 0 H GLN A 96 27.257 -2.452 -7.745 1.00 2.24 H new ATOM 0 HA GLN A 96 26.957 -1.867 -10.533 1.00 73.54 H new ATOM 0 HB2 GLN A 96 28.999 -2.992 -8.723 1.00 43.21 H new ATOM 0 HB3 GLN A 96 29.002 -3.699 -10.327 1.00 43.21 H new ATOM 0 HG2 GLN A 96 29.515 -1.668 -11.383 1.00 42.15 H new ATOM 0 HG3 GLN A 96 28.781 -0.699 -10.121 1.00 42.15 H new ATOM 0 HE21 GLN A 96 31.247 -3.284 -10.248 1.00 33.05 H new ATOM 0 HE22 GLN A 96 32.507 -2.422 -9.359 1.00 33.05 H new ATOM 1598 N GLU A 97 26.284 -4.870 -9.408 1.00 4.32 N ATOM 1599 CA GLU A 97 25.664 -6.139 -9.748 1.00 25.25 C ATOM 1600 C GLU A 97 24.217 -6.172 -9.253 1.00 72.14 C ATOM 1601 O GLU A 97 23.511 -7.159 -9.454 1.00 71.14 O ATOM 1602 CB GLU A 97 26.466 -7.311 -9.176 1.00 55.23 C ATOM 1603 CG GLU A 97 27.784 -7.493 -9.930 1.00 43.24 C ATOM 1604 CD GLU A 97 28.297 -8.928 -9.799 1.00 62.42 C ATOM 1605 OE1 GLU A 97 29.242 -9.182 -9.037 1.00 33.02 O ATOM 1606 OE2 GLU A 97 27.677 -9.797 -10.524 1.00 22.23 O ATOM 0 H GLU A 97 26.514 -4.759 -8.420 1.00 4.32 H new ATOM 0 HA GLU A 97 25.659 -6.240 -10.833 1.00 25.25 H new ATOM 0 HB2 GLU A 97 26.669 -7.136 -8.119 1.00 55.23 H new ATOM 0 HB3 GLU A 97 25.877 -8.226 -9.241 1.00 55.23 H new ATOM 0 HG2 GLU A 97 27.642 -7.249 -10.983 1.00 43.24 H new ATOM 0 HG3 GLU A 97 28.529 -6.800 -9.540 1.00 43.24 H new ATOM 1614 N HIS A 98 23.818 -5.081 -8.617 1.00 34.15 N ATOM 1615 CA HIS A 98 22.467 -4.973 -8.092 1.00 52.31 C ATOM 1616 C HIS A 98 21.667 -3.979 -8.937 1.00 34.21 C ATOM 1617 O HIS A 98 20.439 -4.045 -8.982 1.00 41.05 O ATOM 1618 CB HIS A 98 22.488 -4.606 -6.607 1.00 44.40 C ATOM 1619 CG HIS A 98 22.796 -5.767 -5.692 1.00 12.22 C ATOM 1620 ND1 HIS A 98 21.859 -6.731 -5.363 1.00 14.40 N ATOM 1621 CD2 HIS A 98 23.945 -6.109 -5.041 1.00 53.11 C ATOM 1622 CE1 HIS A 98 22.428 -7.608 -4.550 1.00 3.43 C ATOM 1623 NE2 HIS A 98 23.721 -7.220 -4.351 1.00 70.40 N ATOM 0 H HIS A 98 24.406 -4.264 -8.453 1.00 34.15 H new ATOM 0 HA HIS A 98 21.968 -5.940 -8.160 1.00 52.31 H new ATOM 0 HB2 HIS A 98 23.230 -3.824 -6.447 1.00 44.40 H new ATOM 0 HB3 HIS A 98 21.520 -4.188 -6.333 1.00 44.40 H new ATOM 0 HD1 HIS A 98 20.894 -6.761 -5.691 1.00 14.40 H new ATOM 0 HD2 HIS A 98 24.879 -5.567 -5.081 1.00 53.11 H new ATOM 0 HE1 HIS A 98 21.952 -8.477 -4.120 1.00 3.43 H new ATOM 1631 N LYS A 99 22.395 -3.082 -9.585 1.00 54.10 N ATOM 1632 CA LYS A 99 21.768 -2.076 -10.426 1.00 1.12 C ATOM 1633 C LYS A 99 20.617 -2.714 -11.206 1.00 31.24 C ATOM 1634 O LYS A 99 20.727 -3.851 -11.663 1.00 42.32 O ATOM 1635 CB LYS A 99 22.811 -1.396 -11.315 1.00 70.03 C ATOM 1636 CG LYS A 99 22.168 -0.841 -12.588 1.00 61.31 C ATOM 1637 CD LYS A 99 22.201 -1.876 -13.715 1.00 4.21 C ATOM 1638 CE LYS A 99 23.591 -1.948 -14.352 1.00 34.32 C ATOM 1639 NZ LYS A 99 23.784 -0.831 -15.303 1.00 14.11 N ATOM 0 H LYS A 99 23.413 -3.031 -9.545 1.00 54.10 H new ATOM 0 HA LYS A 99 21.338 -1.283 -9.815 1.00 1.12 H new ATOM 0 HB2 LYS A 99 23.292 -0.588 -10.764 1.00 70.03 H new ATOM 0 HB3 LYS A 99 23.591 -2.111 -11.579 1.00 70.03 H new ATOM 0 HG2 LYS A 99 21.137 -0.554 -12.383 1.00 61.31 H new ATOM 0 HG3 LYS A 99 22.694 0.061 -12.902 1.00 61.31 H new ATOM 0 HD2 LYS A 99 21.925 -2.855 -13.323 1.00 4.21 H new ATOM 0 HD3 LYS A 99 21.462 -1.617 -14.473 1.00 4.21 H new ATOM 0 HE2 LYS A 99 24.356 -1.909 -13.576 1.00 34.32 H new ATOM 0 HE3 LYS A 99 23.711 -2.899 -14.870 1.00 34.32 H new ATOM 0 HZ1 LYS A 99 24.697 -0.942 -15.788 1.00 14.11 H new ATOM 0 HZ2 LYS A 99 23.016 -0.836 -16.004 1.00 14.11 H new ATOM 0 HZ3 LYS A 99 23.775 0.071 -14.786 1.00 14.11 H new ATOM 1652 N ASP A 100 19.538 -1.955 -11.333 1.00 64.42 N ATOM 1653 CA ASP A 100 18.368 -2.433 -12.050 1.00 11.33 C ATOM 1654 C ASP A 100 18.347 -1.818 -13.451 1.00 24.42 C ATOM 1655 O ASP A 100 19.239 -1.050 -13.809 1.00 32.22 O ATOM 1656 CB ASP A 100 17.079 -2.022 -11.335 1.00 21.33 C ATOM 1657 CG ASP A 100 15.946 -3.048 -11.405 1.00 53.33 C ATOM 1658 OD1 ASP A 100 14.914 -2.816 -12.053 1.00 0.31 O ATOM 1659 OD2 ASP A 100 16.156 -4.139 -10.751 1.00 24.05 O ATOM 0 H ASP A 100 19.450 -1.013 -10.952 1.00 64.42 H new ATOM 0 HA ASP A 100 18.423 -3.520 -12.099 1.00 11.33 H new ATOM 0 HB2 ASP A 100 17.309 -1.827 -10.287 1.00 21.33 H new ATOM 0 HB3 ASP A 100 16.727 -1.084 -11.764 1.00 21.33 H new ATOM 1665 N LYS A 101 17.320 -2.180 -14.206 1.00 24.12 N ATOM 1666 CA LYS A 101 17.172 -1.674 -15.560 1.00 20.12 C ATOM 1667 C LYS A 101 16.750 -0.204 -15.507 1.00 72.50 C ATOM 1668 O LYS A 101 16.849 0.510 -16.503 1.00 61.24 O ATOM 1669 CB LYS A 101 16.216 -2.560 -16.361 1.00 63.22 C ATOM 1670 CG LYS A 101 16.947 -3.775 -16.936 1.00 61.30 C ATOM 1671 CD LYS A 101 16.408 -4.134 -18.322 1.00 43.14 C ATOM 1672 CE LYS A 101 17.208 -3.430 -19.420 1.00 62.24 C ATOM 1673 NZ LYS A 101 16.440 -3.403 -20.685 1.00 13.00 N ATOM 0 H LYS A 101 16.583 -2.818 -13.906 1.00 24.12 H new ATOM 0 HA LYS A 101 18.125 -1.714 -16.088 1.00 20.12 H new ATOM 0 HB2 LYS A 101 15.399 -2.892 -15.720 1.00 63.22 H new ATOM 0 HB3 LYS A 101 15.771 -1.982 -17.171 1.00 63.22 H new ATOM 0 HG2 LYS A 101 18.015 -3.565 -17.000 1.00 61.30 H new ATOM 0 HG3 LYS A 101 16.830 -4.626 -16.265 1.00 61.30 H new ATOM 0 HD2 LYS A 101 16.457 -5.213 -18.467 1.00 43.14 H new ATOM 0 HD3 LYS A 101 15.358 -3.850 -18.393 1.00 43.14 H new ATOM 0 HE2 LYS A 101 17.445 -2.412 -19.110 1.00 62.24 H new ATOM 0 HE3 LYS A 101 18.156 -3.945 -19.574 1.00 62.24 H new ATOM 0 HZ1 LYS A 101 16.997 -2.922 -21.419 1.00 13.00 H new ATOM 0 HZ2 LYS A 101 16.236 -4.377 -20.988 1.00 13.00 H new ATOM 0 HZ3 LYS A 101 15.547 -2.892 -20.538 1.00 13.00 H new ATOM 1686 N ASP A 102 16.287 0.203 -14.334 1.00 44.53 N ATOM 1687 CA ASP A 102 15.850 1.575 -14.139 1.00 14.15 C ATOM 1688 C ASP A 102 17.049 2.436 -13.737 1.00 13.23 C ATOM 1689 O ASP A 102 17.017 3.657 -13.880 1.00 55.44 O ATOM 1690 CB ASP A 102 14.807 1.666 -13.023 1.00 11.43 C ATOM 1691 CG ASP A 102 14.339 3.084 -12.690 1.00 13.53 C ATOM 1692 OD1 ASP A 102 14.773 3.683 -11.695 1.00 5.42 O ATOM 1693 OD2 ASP A 102 13.479 3.582 -13.512 1.00 73.04 O ATOM 0 H ASP A 102 16.205 -0.393 -13.510 1.00 44.53 H new ATOM 0 HA ASP A 102 15.411 1.926 -15.073 1.00 14.15 H new ATOM 0 HB2 ASP A 102 13.939 1.071 -13.308 1.00 11.43 H new ATOM 0 HB3 ASP A 102 15.221 1.215 -12.121 1.00 11.43 H new ATOM 1699 N GLY A 103 18.078 1.766 -13.241 1.00 65.21 N ATOM 1700 CA GLY A 103 19.286 2.454 -12.817 1.00 52.45 C ATOM 1701 C GLY A 103 19.447 2.394 -11.297 1.00 71.21 C ATOM 1702 O GLY A 103 20.328 1.701 -10.790 1.00 14.12 O ATOM 0 H GLY A 103 18.101 0.753 -13.123 1.00 65.21 H new ATOM 0 HA2 GLY A 103 20.154 2.001 -13.296 1.00 52.45 H new ATOM 0 HA3 GLY A 103 19.249 3.494 -13.142 1.00 52.45 H new ATOM 1706 N PHE A 104 18.582 3.128 -10.613 1.00 3.32 N ATOM 1707 CA PHE A 104 18.618 3.167 -9.161 1.00 34.24 C ATOM 1708 C PHE A 104 18.726 1.757 -8.577 1.00 72.52 C ATOM 1709 O PHE A 104 18.678 0.771 -9.312 1.00 41.53 O ATOM 1710 CB PHE A 104 17.303 3.798 -8.698 1.00 31.11 C ATOM 1711 CG PHE A 104 17.430 5.264 -8.281 1.00 14.53 C ATOM 1712 CD1 PHE A 104 17.849 5.581 -7.026 1.00 62.23 C ATOM 1713 CD2 PHE A 104 17.123 6.252 -9.164 1.00 75.32 C ATOM 1714 CE1 PHE A 104 17.967 6.942 -6.639 1.00 73.11 C ATOM 1715 CE2 PHE A 104 17.240 7.613 -8.777 1.00 70.10 C ATOM 1716 CZ PHE A 104 17.660 7.929 -7.523 1.00 14.24 C ATOM 0 H PHE A 104 17.852 3.700 -11.037 1.00 3.32 H new ATOM 0 HA PHE A 104 19.484 3.738 -8.826 1.00 34.24 H new ATOM 0 HB2 PHE A 104 16.572 3.722 -9.503 1.00 31.11 H new ATOM 0 HB3 PHE A 104 16.913 3.224 -7.857 1.00 31.11 H new ATOM 0 HD1 PHE A 104 18.092 4.797 -6.324 1.00 62.23 H new ATOM 0 HD2 PHE A 104 16.790 6.001 -10.160 1.00 75.32 H new ATOM 0 HE1 PHE A 104 18.300 7.193 -5.643 1.00 73.11 H new ATOM 0 HE2 PHE A 104 16.995 8.397 -9.478 1.00 70.10 H new ATOM 0 HZ PHE A 104 17.750 8.964 -7.229 1.00 14.24 H new ATOM 1726 N LEU A 105 18.869 1.705 -7.261 1.00 65.41 N ATOM 1727 CA LEU A 105 18.985 0.431 -6.571 1.00 12.34 C ATOM 1728 C LEU A 105 17.708 0.174 -5.768 1.00 1.04 C ATOM 1729 O LEU A 105 16.961 1.104 -5.469 1.00 34.04 O ATOM 1730 CB LEU A 105 20.260 0.393 -5.727 1.00 4.24 C ATOM 1731 CG LEU A 105 20.948 -0.969 -5.611 1.00 35.03 C ATOM 1732 CD1 LEU A 105 21.154 -1.598 -6.990 1.00 30.01 C ATOM 1733 CD2 LEU A 105 22.258 -0.857 -4.830 1.00 24.24 C ATOM 0 H LEU A 105 18.907 2.524 -6.654 1.00 65.41 H new ATOM 0 HA LEU A 105 19.081 -0.384 -7.288 1.00 12.34 H new ATOM 0 HB2 LEU A 105 20.972 1.103 -6.148 1.00 4.24 H new ATOM 0 HB3 LEU A 105 20.018 0.742 -4.723 1.00 4.24 H new ATOM 0 HG LEU A 105 20.294 -1.635 -5.048 1.00 35.03 H new ATOM 0 HD11 LEU A 105 21.645 -2.565 -6.879 1.00 30.01 H new ATOM 0 HD12 LEU A 105 20.188 -1.735 -7.475 1.00 30.01 H new ATOM 0 HD13 LEU A 105 21.777 -0.943 -7.599 1.00 30.01 H new ATOM 0 HD21 LEU A 105 22.726 -1.839 -4.762 1.00 24.24 H new ATOM 0 HD22 LEU A 105 22.930 -0.169 -5.343 1.00 24.24 H new ATOM 0 HD23 LEU A 105 22.053 -0.483 -3.827 1.00 24.24 H new ATOM 1745 N TYR A 106 17.498 -1.093 -5.441 1.00 53.32 N ATOM 1746 CA TYR A 106 16.324 -1.484 -4.679 1.00 3.03 C ATOM 1747 C TYR A 106 16.711 -2.370 -3.493 1.00 64.52 C ATOM 1748 O TYR A 106 16.973 -3.560 -3.663 1.00 33.44 O ATOM 1749 CB TYR A 106 15.447 -2.291 -5.638 1.00 44.44 C ATOM 1750 CG TYR A 106 16.234 -3.204 -6.581 1.00 54.10 C ATOM 1751 CD1 TYR A 106 17.042 -2.657 -7.557 1.00 73.00 C ATOM 1752 CD2 TYR A 106 16.135 -4.575 -6.455 1.00 53.14 C ATOM 1753 CE1 TYR A 106 17.782 -3.517 -8.444 1.00 54.42 C ATOM 1754 CE2 TYR A 106 16.875 -5.434 -7.343 1.00 33.54 C ATOM 1755 CZ TYR A 106 17.662 -4.863 -8.293 1.00 54.12 C ATOM 1756 OH TYR A 106 18.360 -5.675 -9.131 1.00 44.21 O ATOM 0 H TYR A 106 18.121 -1.862 -5.690 1.00 53.32 H new ATOM 0 HA TYR A 106 15.813 -0.606 -4.285 1.00 3.03 H new ATOM 0 HB2 TYR A 106 14.753 -2.898 -5.056 1.00 44.44 H new ATOM 0 HB3 TYR A 106 14.847 -1.602 -6.232 1.00 44.44 H new ATOM 0 HD1 TYR A 106 17.119 -1.584 -7.656 1.00 73.00 H new ATOM 0 HD2 TYR A 106 15.503 -5.003 -5.691 1.00 53.14 H new ATOM 0 HE1 TYR A 106 18.418 -3.102 -9.212 1.00 54.42 H new ATOM 0 HE2 TYR A 106 16.806 -6.508 -7.256 1.00 33.54 H new ATOM 0 HH TYR A 106 19.209 -5.247 -9.370 1.00 44.21 H new ATOM 1766 N VAL A 107 16.736 -1.756 -2.319 1.00 72.54 N ATOM 1767 CA VAL A 107 17.087 -2.475 -1.106 1.00 54.01 C ATOM 1768 C VAL A 107 15.980 -2.284 -0.067 1.00 75.14 C ATOM 1769 O VAL A 107 15.234 -1.307 -0.122 1.00 21.21 O ATOM 1770 CB VAL A 107 18.460 -2.020 -0.607 1.00 35.21 C ATOM 1771 CG1 VAL A 107 18.692 -0.540 -0.915 1.00 11.43 C ATOM 1772 CG2 VAL A 107 18.620 -2.301 0.888 1.00 31.34 C ATOM 0 H VAL A 107 16.519 -0.769 -2.182 1.00 72.54 H new ATOM 0 HA VAL A 107 17.166 -3.544 -1.305 1.00 54.01 H new ATOM 0 HB VAL A 107 19.218 -2.595 -1.139 1.00 35.21 H new ATOM 0 HG11 VAL A 107 19.675 -0.242 -0.550 1.00 11.43 H new ATOM 0 HG12 VAL A 107 18.641 -0.380 -1.992 1.00 11.43 H new ATOM 0 HG13 VAL A 107 17.925 0.059 -0.423 1.00 11.43 H new ATOM 0 HG21 VAL A 107 19.604 -1.968 1.217 1.00 31.34 H new ATOM 0 HG22 VAL A 107 17.851 -1.764 1.443 1.00 31.34 H new ATOM 0 HG23 VAL A 107 18.519 -3.371 1.070 1.00 31.34 H new ATOM 1782 N THR A 108 15.907 -3.233 0.855 1.00 41.15 N ATOM 1783 CA THR A 108 14.904 -3.181 1.904 1.00 34.51 C ATOM 1784 C THR A 108 15.426 -3.855 3.175 1.00 73.35 C ATOM 1785 O THR A 108 16.004 -4.939 3.114 1.00 61.22 O ATOM 1786 CB THR A 108 13.621 -3.816 1.363 1.00 13.21 C ATOM 1787 OG1 THR A 108 13.306 -3.036 0.213 1.00 42.12 O ATOM 1788 CG2 THR A 108 12.425 -3.605 2.294 1.00 3.15 C ATOM 0 H THR A 108 16.526 -4.042 0.897 1.00 41.15 H new ATOM 0 HA THR A 108 14.681 -2.152 2.187 1.00 34.51 H new ATOM 0 HB THR A 108 13.780 -4.884 1.213 1.00 13.21 H new ATOM 0 HG1 THR A 108 13.763 -2.171 0.270 1.00 42.12 H new ATOM 0 HG21 THR A 108 11.541 -4.075 1.863 1.00 3.15 H new ATOM 0 HG22 THR A 108 12.637 -4.052 3.265 1.00 3.15 H new ATOM 0 HG23 THR A 108 12.244 -2.537 2.418 1.00 3.15 H new ATOM 1796 N TYR A 109 15.203 -3.185 4.296 1.00 72.53 N ATOM 1797 CA TYR A 109 15.644 -3.706 5.579 1.00 55.13 C ATOM 1798 C TYR A 109 14.449 -4.067 6.464 1.00 53.03 C ATOM 1799 O TYR A 109 13.350 -3.550 6.270 1.00 13.43 O ATOM 1800 CB TYR A 109 16.432 -2.576 6.244 1.00 64.25 C ATOM 1801 CG TYR A 109 15.742 -1.213 6.178 1.00 53.40 C ATOM 1802 CD1 TYR A 109 14.549 -1.011 6.842 1.00 53.32 C ATOM 1803 CD2 TYR A 109 16.312 -0.184 5.455 1.00 74.31 C ATOM 1804 CE1 TYR A 109 13.899 0.273 6.780 1.00 34.30 C ATOM 1805 CE2 TYR A 109 15.662 1.099 5.393 1.00 15.11 C ATOM 1806 CZ TYR A 109 14.487 1.264 6.059 1.00 41.23 C ATOM 1807 OH TYR A 109 13.873 2.476 6.000 1.00 1.34 O ATOM 0 H TYR A 109 14.723 -2.286 4.343 1.00 72.53 H new ATOM 0 HA TYR A 109 16.240 -4.608 5.443 1.00 55.13 H new ATOM 0 HB2 TYR A 109 16.605 -2.834 7.289 1.00 64.25 H new ATOM 0 HB3 TYR A 109 17.410 -2.500 5.768 1.00 64.25 H new ATOM 0 HD1 TYR A 109 14.103 -1.815 7.408 1.00 53.32 H new ATOM 0 HD2 TYR A 109 17.246 -0.342 4.936 1.00 74.31 H new ATOM 0 HE1 TYR A 109 12.965 0.444 7.295 1.00 34.30 H new ATOM 0 HE2 TYR A 109 16.097 1.912 4.831 1.00 15.11 H new ATOM 0 HH TYR A 109 13.366 2.626 6.825 1.00 1.34 H new ATOM 1817 N SER A 110 14.704 -4.952 7.416 1.00 64.23 N ATOM 1818 CA SER A 110 13.664 -5.388 8.331 1.00 34.51 C ATOM 1819 C SER A 110 14.250 -5.600 9.728 1.00 3.43 C ATOM 1820 O SER A 110 15.244 -6.307 9.888 1.00 73.11 O ATOM 1821 CB SER A 110 12.998 -6.674 7.835 1.00 15.54 C ATOM 1822 OG SER A 110 13.911 -7.767 7.795 1.00 53.23 O ATOM 0 H SER A 110 15.617 -5.379 7.573 1.00 64.23 H new ATOM 0 HA SER A 110 12.902 -4.610 8.378 1.00 34.51 H new ATOM 0 HB2 SER A 110 12.162 -6.924 8.488 1.00 15.54 H new ATOM 0 HB3 SER A 110 12.587 -6.508 6.839 1.00 15.54 H new ATOM 0 HG SER A 110 13.950 -8.193 8.677 1.00 53.23 H new ATOM 1828 N GLY A 111 13.611 -4.973 10.705 1.00 54.24 N ATOM 1829 CA GLY A 111 14.057 -5.083 12.083 1.00 14.01 C ATOM 1830 C GLY A 111 14.441 -6.525 12.422 1.00 54.14 C ATOM 1831 O GLY A 111 15.271 -6.761 13.298 1.00 41.52 O ATOM 0 H GLY A 111 12.787 -4.387 10.569 1.00 54.24 H new ATOM 0 HA2 GLY A 111 14.912 -4.427 12.245 1.00 14.01 H new ATOM 0 HA3 GLY A 111 13.266 -4.747 12.753 1.00 14.01 H new ATOM 1835 N GLU A 112 13.818 -7.452 11.709 1.00 34.12 N ATOM 1836 CA GLU A 112 14.084 -8.865 11.923 1.00 14.51 C ATOM 1837 C GLU A 112 14.919 -9.428 10.772 1.00 41.44 C ATOM 1838 O GLU A 112 14.999 -8.822 9.704 1.00 4.32 O ATOM 1839 CB GLU A 112 12.781 -9.649 12.090 1.00 54.24 C ATOM 1840 CG GLU A 112 13.025 -10.968 12.826 1.00 53.40 C ATOM 1841 CD GLU A 112 13.762 -10.731 14.145 1.00 4.53 C ATOM 1842 OE1 GLU A 112 14.642 -11.522 14.514 1.00 25.34 O ATOM 1843 OE2 GLU A 112 13.393 -9.679 14.795 1.00 44.11 O ATOM 0 H GLU A 112 13.130 -7.253 10.983 1.00 34.12 H new ATOM 0 HA GLU A 112 14.654 -8.972 12.846 1.00 14.51 H new ATOM 0 HB2 GLU A 112 12.059 -9.048 12.643 1.00 54.24 H new ATOM 0 HB3 GLU A 112 12.345 -9.850 11.111 1.00 54.24 H new ATOM 0 HG2 GLU A 112 12.073 -11.461 13.021 1.00 53.40 H new ATOM 0 HG3 GLU A 112 13.608 -11.638 12.195 1.00 53.40 H new ATOM 1851 N ASN A 113 15.520 -10.580 11.027 1.00 20.43 N ATOM 1852 CA ASN A 113 16.346 -11.232 10.025 1.00 5.14 C ATOM 1853 C ASN A 113 15.478 -12.172 9.187 1.00 60.00 C ATOM 1854 O ASN A 113 15.695 -13.383 9.180 1.00 0.35 O ATOM 1855 CB ASN A 113 17.450 -12.065 10.679 1.00 23.42 C ATOM 1856 CG ASN A 113 18.452 -12.564 9.636 1.00 50.14 C ATOM 1857 OD1 ASN A 113 18.752 -13.743 9.539 1.00 40.53 O ATOM 1858 ND2 ASN A 113 18.951 -11.604 8.863 1.00 51.44 N ATOM 0 H ASN A 113 15.452 -11.079 11.914 1.00 20.43 H new ATOM 0 HA ASN A 113 16.798 -10.458 9.405 1.00 5.14 H new ATOM 0 HB2 ASN A 113 17.968 -11.465 11.428 1.00 23.42 H new ATOM 0 HB3 ASN A 113 17.009 -12.915 11.200 1.00 23.42 H new ATOM 0 HD21 ASN A 113 19.628 -11.835 8.136 1.00 51.44 H new ATOM 0 HD22 ASN A 113 18.657 -10.637 8.997 1.00 51.44 H new ATOM 1865 N THR A 114 14.513 -11.579 8.500 1.00 52.10 N ATOM 1866 CA THR A 114 13.611 -12.348 7.660 1.00 34.30 C ATOM 1867 C THR A 114 13.789 -11.960 6.191 1.00 70.52 C ATOM 1868 O THR A 114 14.222 -10.850 5.886 1.00 21.23 O ATOM 1869 CB THR A 114 12.186 -12.135 8.176 1.00 4.43 C ATOM 1870 OG1 THR A 114 12.116 -10.734 8.431 1.00 31.54 O ATOM 1871 CG2 THR A 114 11.958 -12.775 9.547 1.00 61.10 C ATOM 0 H THR A 114 14.336 -10.574 8.508 1.00 52.10 H new ATOM 0 HA THR A 114 13.835 -13.413 7.712 1.00 34.30 H new ATOM 0 HB THR A 114 11.475 -12.548 7.460 1.00 4.43 H new ATOM 0 HG1 THR A 114 11.224 -10.507 8.768 1.00 31.54 H new ATOM 0 HG21 THR A 114 10.932 -12.594 9.867 1.00 61.10 H new ATOM 0 HG22 THR A 114 12.134 -13.849 9.481 1.00 61.10 H new ATOM 0 HG23 THR A 114 12.646 -12.338 10.271 1.00 61.10 H new