USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=24 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 39 SER OG : rot 91:sc= -0.645! USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0.881 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= 0.431 F(o=-5,f=-2.7) USER MOD Set 2.2: A 98 HIS : no HE2:sc= -3.15! C(o=-2.7!,f=-6.5!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 101 LYS NZ :NH3+ -166:sc= -0.0233 (180deg=-0.305) USER MOD Single : A 18 SER OG : rot -37:sc= 0.196 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 135:sc= -0.0443 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.00454 (180deg=-0.000973) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -2.25 (180deg=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= -3.78 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : A 59 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.79) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.346 (180deg=-1.79!) USER MOD Single : A 69 MET CE :methyl 160:sc= -0.218 (180deg=-1.18) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 11:sc= 0.244! USER MOD Single : A 91 MET CE :methyl -158:sc= -0.206 (180deg=-0.873) USER MOD Single : A 92 SER OG : rot 159:sc= -0.463 USER MOD Single : A 95 TYR OH : rot 134:sc= 0.708 USER MOD Single : A 96 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -12:sc= 0.231! USER MOD Single : A 109 TYR OH : rot 32:sc= -0.914 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.11! C(o=-2.4!,f=-1.1!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0332 USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.610 8.188 -12.036 1.00 62.43 N ATOM 225 CA ARG A 14 13.851 7.995 -11.305 1.00 60.31 C ATOM 226 C ARG A 14 15.027 7.877 -12.277 1.00 10.41 C ATOM 227 O ARG A 14 16.145 8.275 -11.955 1.00 3.55 O ATOM 228 CB ARG A 14 13.789 6.737 -10.437 1.00 34.25 C ATOM 229 CG ARG A 14 13.256 5.545 -11.235 1.00 0.11 C ATOM 230 CD ARG A 14 11.865 5.136 -10.747 1.00 53.10 C ATOM 231 NE ARG A 14 11.096 6.336 -10.347 1.00 73.42 N ATOM 232 CZ ARG A 14 9.879 6.295 -9.763 1.00 61.14 C ATOM 233 NH1 ARG A 14 9.282 5.112 -9.506 1.00 71.21 N ATOM 234 NH2 ARG A 14 9.282 7.429 -9.448 1.00 42.20 N ATOM 0 HA ARG A 14 13.993 8.862 -10.660 1.00 60.31 H new ATOM 0 HB2 ARG A 14 14.783 6.507 -10.053 1.00 34.25 H new ATOM 0 HB3 ARG A 14 13.148 6.917 -9.574 1.00 34.25 H new ATOM 0 HG2 ARG A 14 13.213 5.802 -12.294 1.00 0.11 H new ATOM 0 HG3 ARG A 14 13.941 4.703 -11.139 1.00 0.11 H new ATOM 0 HD2 ARG A 14 11.336 4.601 -11.536 1.00 53.10 H new ATOM 0 HD3 ARG A 14 11.953 4.452 -9.903 1.00 53.10 H new ATOM 0 HE ARG A 14 11.511 7.251 -10.523 1.00 73.42 H new ATOM 0 HH11 ARG A 14 9.750 4.240 -9.753 1.00 71.21 H new ATOM 0 HH12 ARG A 14 8.363 5.090 -9.065 1.00 71.21 H new ATOM 0 HH21 ARG A 14 9.740 8.319 -9.646 1.00 42.20 H new ATOM 0 HH22 ARG A 14 8.363 7.416 -9.006 1.00 42.20 H new ATOM 247 N LYS A 15 14.734 7.329 -13.447 1.00 10.11 N ATOM 248 CA LYS A 15 15.753 7.154 -14.468 1.00 2.43 C ATOM 249 C LYS A 15 16.241 8.527 -14.935 1.00 5.00 C ATOM 250 O LYS A 15 17.360 8.656 -15.430 1.00 51.43 O ATOM 251 CB LYS A 15 15.230 6.269 -15.601 1.00 4.12 C ATOM 252 CG LYS A 15 16.386 5.649 -16.389 1.00 75.33 C ATOM 253 CD LYS A 15 15.875 4.590 -17.368 1.00 74.24 C ATOM 254 CE LYS A 15 16.906 4.313 -18.464 1.00 21.10 C ATOM 255 NZ LYS A 15 16.363 3.362 -19.459 1.00 74.31 N ATOM 0 H LYS A 15 13.805 7.000 -13.711 1.00 10.11 H new ATOM 0 HA LYS A 15 16.617 6.630 -14.059 1.00 2.43 H new ATOM 0 HB2 LYS A 15 14.600 5.480 -15.190 1.00 4.12 H new ATOM 0 HB3 LYS A 15 14.604 6.860 -16.270 1.00 4.12 H new ATOM 0 HG2 LYS A 15 16.918 6.428 -16.935 1.00 75.33 H new ATOM 0 HG3 LYS A 15 17.100 5.198 -15.700 1.00 75.33 H new ATOM 0 HD2 LYS A 15 15.655 3.668 -16.830 1.00 74.24 H new ATOM 0 HD3 LYS A 15 14.941 4.927 -17.819 1.00 74.24 H new ATOM 0 HE2 LYS A 15 17.181 5.246 -18.956 1.00 21.10 H new ATOM 0 HE3 LYS A 15 17.815 3.906 -18.022 1.00 21.10 H new ATOM 0 HZ1 LYS A 15 17.076 3.185 -20.195 1.00 74.31 H new ATOM 0 HZ2 LYS A 15 16.122 2.466 -18.988 1.00 74.31 H new ATOM 0 HZ3 LYS A 15 15.508 3.765 -19.894 1.00 74.31 H new ATOM 268 N ALA A 16 15.379 9.517 -14.761 1.00 13.32 N ATOM 269 CA ALA A 16 15.708 10.876 -15.158 1.00 61.55 C ATOM 270 C ALA A 16 16.512 11.548 -14.044 1.00 13.04 C ATOM 271 O ALA A 16 17.589 12.089 -14.289 1.00 73.05 O ATOM 272 CB ALA A 16 14.423 11.636 -15.491 1.00 51.11 C ATOM 0 H ALA A 16 14.452 9.406 -14.350 1.00 13.32 H new ATOM 0 HA ALA A 16 16.327 10.875 -16.055 1.00 61.55 H new ATOM 0 HB1 ALA A 16 14.670 12.655 -15.789 1.00 51.11 H new ATOM 0 HB2 ALA A 16 13.905 11.134 -16.309 1.00 51.11 H new ATOM 0 HB3 ALA A 16 13.777 11.661 -14.613 1.00 51.11 H new ATOM 278 N GLU A 17 15.957 11.492 -12.842 1.00 0.23 N ATOM 279 CA GLU A 17 16.609 12.089 -11.688 1.00 54.23 C ATOM 280 C GLU A 17 18.031 11.546 -11.542 1.00 23.40 C ATOM 281 O GLU A 17 18.932 12.262 -11.108 1.00 12.32 O ATOM 282 CB GLU A 17 15.796 11.849 -10.414 1.00 62.03 C ATOM 283 CG GLU A 17 16.055 12.950 -9.383 1.00 71.53 C ATOM 284 CD GLU A 17 15.024 12.896 -8.254 1.00 51.21 C ATOM 285 OE1 GLU A 17 14.062 12.117 -8.329 1.00 51.52 O ATOM 286 OE2 GLU A 17 15.250 13.701 -7.271 1.00 72.42 O ATOM 0 H GLU A 17 15.063 11.043 -12.642 1.00 0.23 H new ATOM 0 HA GLU A 17 16.667 13.166 -11.845 1.00 54.23 H new ATOM 0 HB2 GLU A 17 14.734 11.816 -10.657 1.00 62.03 H new ATOM 0 HB3 GLU A 17 16.056 10.879 -9.989 1.00 62.03 H new ATOM 0 HG2 GLU A 17 17.058 12.839 -8.970 1.00 71.53 H new ATOM 0 HG3 GLU A 17 16.017 13.925 -9.869 1.00 71.53 H new ATOM 294 N SER A 18 18.189 10.284 -11.913 1.00 25.53 N ATOM 295 CA SER A 18 19.487 9.636 -11.828 1.00 64.32 C ATOM 296 C SER A 18 20.436 10.227 -12.873 1.00 22.31 C ATOM 297 O SER A 18 21.604 10.483 -12.582 1.00 74.01 O ATOM 298 CB SER A 18 19.361 8.123 -12.021 1.00 5.22 C ATOM 299 OG SER A 18 19.079 7.779 -13.375 1.00 2.14 O ATOM 0 H SER A 18 17.440 9.693 -12.273 1.00 25.53 H new ATOM 0 HA SER A 18 19.895 9.815 -10.833 1.00 64.32 H new ATOM 0 HB2 SER A 18 20.287 7.639 -11.709 1.00 5.22 H new ATOM 0 HB3 SER A 18 18.569 7.740 -11.377 1.00 5.22 H new ATOM 0 HG SER A 18 18.474 8.446 -13.763 1.00 2.14 H new ATOM 305 N GLU A 19 19.899 10.426 -14.068 1.00 24.33 N ATOM 306 CA GLU A 19 20.684 10.982 -15.157 1.00 73.33 C ATOM 307 C GLU A 19 21.401 12.253 -14.700 1.00 1.41 C ATOM 308 O GLU A 19 22.511 12.539 -15.146 1.00 61.24 O ATOM 309 CB GLU A 19 19.806 11.257 -16.380 1.00 30.02 C ATOM 310 CG GLU A 19 19.418 9.954 -17.081 1.00 34.43 C ATOM 311 CD GLU A 19 20.422 9.602 -18.180 1.00 24.54 C ATOM 312 OE1 GLU A 19 20.715 10.441 -19.044 1.00 3.11 O ATOM 313 OE2 GLU A 19 20.906 8.407 -18.114 1.00 55.24 O ATOM 0 H GLU A 19 18.930 10.212 -14.306 1.00 24.33 H new ATOM 0 HA GLU A 19 21.437 10.249 -15.448 1.00 73.33 H new ATOM 0 HB2 GLU A 19 18.907 11.791 -16.074 1.00 30.02 H new ATOM 0 HB3 GLU A 19 20.339 11.904 -17.077 1.00 30.02 H new ATOM 0 HG2 GLU A 19 19.373 9.145 -16.352 1.00 34.43 H new ATOM 0 HG3 GLU A 19 18.421 10.051 -17.512 1.00 34.43 H new ATOM 321 N ARG A 20 20.738 12.983 -13.815 1.00 53.22 N ATOM 322 CA ARG A 20 21.298 14.218 -13.293 1.00 22.35 C ATOM 323 C ARG A 20 22.328 13.913 -12.203 1.00 3.41 C ATOM 324 O ARG A 20 23.461 14.389 -12.264 1.00 51.32 O ATOM 325 CB ARG A 20 20.204 15.117 -12.714 1.00 4.43 C ATOM 326 CG ARG A 20 19.440 15.836 -13.827 1.00 52.40 C ATOM 327 CD ARG A 20 18.584 16.971 -13.260 1.00 45.42 C ATOM 328 NE ARG A 20 19.367 17.752 -12.276 1.00 30.43 N ATOM 329 CZ ARG A 20 20.344 18.623 -12.605 1.00 51.11 C ATOM 330 NH1 ARG A 20 20.667 18.833 -13.899 1.00 10.31 N ATOM 331 NH2 ARG A 20 20.979 19.267 -11.643 1.00 73.41 N ATOM 0 H ARG A 20 19.818 12.743 -13.446 1.00 53.22 H new ATOM 0 HA ARG A 20 21.781 14.739 -14.119 1.00 22.35 H new ATOM 0 HB2 ARG A 20 19.512 14.518 -12.121 1.00 4.43 H new ATOM 0 HB3 ARG A 20 20.649 15.850 -12.041 1.00 4.43 H new ATOM 0 HG2 ARG A 20 20.144 16.236 -14.556 1.00 52.40 H new ATOM 0 HG3 ARG A 20 18.804 15.125 -14.355 1.00 52.40 H new ATOM 0 HD2 ARG A 20 18.247 17.621 -14.067 1.00 45.42 H new ATOM 0 HD3 ARG A 20 17.692 16.563 -12.785 1.00 45.42 H new ATOM 0 HE ARG A 20 19.155 17.624 -11.287 1.00 30.43 H new ATOM 0 HH11 ARG A 20 20.171 18.332 -14.636 1.00 10.31 H new ATOM 0 HH12 ARG A 20 21.407 19.493 -14.139 1.00 10.31 H new ATOM 0 HH21 ARG A 20 20.729 19.103 -10.668 1.00 73.41 H new ATOM 0 HH22 ARG A 20 21.720 19.929 -11.875 1.00 73.41 H new ATOM 344 N ILE A 21 21.898 13.122 -11.231 1.00 43.30 N ATOM 345 CA ILE A 21 22.769 12.749 -10.129 1.00 62.14 C ATOM 346 C ILE A 21 24.011 12.046 -10.682 1.00 52.22 C ATOM 347 O ILE A 21 25.045 11.991 -10.018 1.00 34.01 O ATOM 348 CB ILE A 21 22.002 11.920 -9.097 1.00 40.40 C ATOM 349 CG1 ILE A 21 21.171 12.820 -8.180 1.00 4.24 C ATOM 350 CG2 ILE A 21 22.949 11.015 -8.307 1.00 63.02 C ATOM 351 CD1 ILE A 21 20.367 11.989 -7.178 1.00 71.13 C ATOM 0 H ILE A 21 20.958 12.729 -11.184 1.00 43.30 H new ATOM 0 HA ILE A 21 23.114 13.637 -9.598 1.00 62.14 H new ATOM 0 HB ILE A 21 21.306 11.271 -9.629 1.00 40.40 H new ATOM 0 HG12 ILE A 21 21.828 13.506 -7.645 1.00 4.24 H new ATOM 0 HG13 ILE A 21 20.494 13.429 -8.779 1.00 4.24 H new ATOM 0 HG21 ILE A 21 22.378 10.437 -7.580 1.00 63.02 H new ATOM 0 HG22 ILE A 21 23.459 10.336 -8.991 1.00 63.02 H new ATOM 0 HG23 ILE A 21 23.686 11.626 -7.786 1.00 63.02 H new ATOM 0 HD11 ILE A 21 19.785 12.653 -6.538 1.00 71.13 H new ATOM 0 HD12 ILE A 21 19.694 11.322 -7.716 1.00 71.13 H new ATOM 0 HD13 ILE A 21 21.048 11.399 -6.565 1.00 71.13 H new ATOM 363 N ALA A 22 23.868 11.527 -11.893 1.00 31.45 N ATOM 364 CA ALA A 22 24.965 10.830 -12.542 1.00 70.31 C ATOM 365 C ALA A 22 25.903 11.852 -13.186 1.00 41.41 C ATOM 366 O ALA A 22 27.109 11.624 -13.276 1.00 15.33 O ATOM 367 CB ALA A 22 24.406 9.831 -13.558 1.00 13.15 C ATOM 0 H ALA A 22 23.009 11.575 -12.441 1.00 31.45 H new ATOM 0 HA ALA A 22 25.544 10.264 -11.813 1.00 70.31 H new ATOM 0 HB1 ALA A 22 25.229 9.308 -14.045 1.00 13.15 H new ATOM 0 HB2 ALA A 22 23.770 9.109 -13.046 1.00 13.15 H new ATOM 0 HB3 ALA A 22 23.820 10.363 -14.308 1.00 13.15 H new ATOM 373 N ASP A 23 25.314 12.958 -13.618 1.00 65.01 N ATOM 374 CA ASP A 23 26.083 14.017 -14.251 1.00 74.52 C ATOM 375 C ASP A 23 26.587 14.986 -13.180 1.00 34.31 C ATOM 376 O ASP A 23 27.466 15.804 -13.443 1.00 2.34 O ATOM 377 CB ASP A 23 25.221 14.808 -15.237 1.00 62.01 C ATOM 378 CG ASP A 23 25.984 15.428 -16.409 1.00 43.42 C ATOM 379 OD1 ASP A 23 26.549 16.527 -16.294 1.00 75.53 O ATOM 380 OD2 ASP A 23 25.986 14.726 -17.491 1.00 52.35 O ATOM 0 H ASP A 23 24.314 13.144 -13.542 1.00 65.01 H new ATOM 0 HA ASP A 23 26.914 13.557 -14.786 1.00 74.52 H new ATOM 0 HB2 ASP A 23 24.450 14.147 -15.634 1.00 62.01 H new ATOM 0 HB3 ASP A 23 24.711 15.603 -14.694 1.00 62.01 H new ATOM 386 N ARG A 24 26.007 14.861 -11.995 1.00 23.11 N ATOM 387 CA ARG A 24 26.387 15.716 -10.883 1.00 33.43 C ATOM 388 C ARG A 24 27.353 14.979 -9.953 1.00 13.04 C ATOM 389 O ARG A 24 28.470 15.438 -9.723 1.00 5.20 O ATOM 390 CB ARG A 24 25.159 16.158 -10.084 1.00 52.25 C ATOM 391 CG ARG A 24 25.547 17.149 -8.985 1.00 43.35 C ATOM 392 CD ARG A 24 26.111 18.439 -9.585 1.00 11.42 C ATOM 393 NE ARG A 24 26.158 19.499 -8.552 1.00 62.43 N ATOM 394 CZ ARG A 24 26.938 20.598 -8.631 1.00 72.00 C ATOM 395 NH1 ARG A 24 27.743 20.792 -9.697 1.00 24.22 N ATOM 396 NH2 ARG A 24 26.901 21.480 -7.650 1.00 54.51 N ATOM 0 H ARG A 24 25.277 14.181 -11.781 1.00 23.11 H new ATOM 0 HA ARG A 24 26.876 16.599 -11.295 1.00 33.43 H new ATOM 0 HB2 ARG A 24 24.432 16.618 -10.753 1.00 52.25 H new ATOM 0 HB3 ARG A 24 24.677 15.287 -9.640 1.00 52.25 H new ATOM 0 HG2 ARG A 24 24.675 17.379 -8.373 1.00 43.35 H new ATOM 0 HG3 ARG A 24 26.288 16.696 -8.326 1.00 43.35 H new ATOM 0 HD2 ARG A 24 27.111 18.260 -9.980 1.00 11.42 H new ATOM 0 HD3 ARG A 24 25.491 18.762 -10.422 1.00 11.42 H new ATOM 0 HE ARG A 24 25.564 19.392 -7.730 1.00 62.43 H new ATOM 0 HH11 ARG A 24 27.765 20.105 -10.451 1.00 24.22 H new ATOM 0 HH12 ARG A 24 28.329 21.625 -9.749 1.00 24.22 H new ATOM 0 HH21 ARG A 24 26.290 21.326 -6.848 1.00 54.51 H new ATOM 0 HH22 ARG A 24 27.484 22.316 -7.694 1.00 54.51 H new ATOM 409 N PHE A 25 26.886 13.849 -9.442 1.00 65.44 N ATOM 410 CA PHE A 25 27.695 13.044 -8.542 1.00 42.15 C ATOM 411 C PHE A 25 27.864 11.622 -9.081 1.00 21.35 C ATOM 412 O PHE A 25 27.239 10.687 -8.582 1.00 11.22 O ATOM 413 CB PHE A 25 26.953 12.986 -7.206 1.00 5.24 C ATOM 414 CG PHE A 25 26.325 14.316 -6.785 1.00 1.25 C ATOM 415 CD1 PHE A 25 27.112 15.322 -6.318 1.00 11.35 C ATOM 416 CD2 PHE A 25 24.980 14.492 -6.877 1.00 53.23 C ATOM 417 CE1 PHE A 25 26.529 16.557 -5.927 1.00 32.32 C ATOM 418 CE2 PHE A 25 24.397 15.726 -6.487 1.00 14.54 C ATOM 419 CZ PHE A 25 25.183 16.733 -6.020 1.00 24.34 C ATOM 0 H PHE A 25 25.958 13.472 -9.634 1.00 65.44 H new ATOM 0 HA PHE A 25 28.687 13.484 -8.438 1.00 42.15 H new ATOM 0 HB2 PHE A 25 26.170 12.230 -7.269 1.00 5.24 H new ATOM 0 HB3 PHE A 25 27.647 12.662 -6.430 1.00 5.24 H new ATOM 0 HD1 PHE A 25 28.180 15.182 -6.244 1.00 11.35 H new ATOM 0 HD2 PHE A 25 24.355 13.693 -7.247 1.00 53.23 H new ATOM 0 HE1 PHE A 25 27.154 17.356 -5.556 1.00 32.32 H new ATOM 0 HE2 PHE A 25 23.329 15.865 -6.561 1.00 14.54 H new ATOM 0 HZ PHE A 25 24.739 17.672 -5.723 1.00 24.34 H new ATOM 429 N PRO A 26 28.735 11.499 -10.118 1.00 52.30 N ATOM 430 CA PRO A 26 28.994 10.207 -10.729 1.00 71.22 C ATOM 431 C PRO A 26 29.886 9.346 -9.833 1.00 64.43 C ATOM 432 O PRO A 26 30.218 8.214 -10.184 1.00 54.35 O ATOM 433 CB PRO A 26 29.632 10.527 -12.071 1.00 75.02 C ATOM 434 CG PRO A 26 30.130 11.959 -11.965 1.00 10.01 C ATOM 435 CD PRO A 26 29.493 12.584 -10.735 1.00 0.15 C ATOM 0 HA PRO A 26 28.088 9.617 -10.865 1.00 71.22 H new ATOM 0 HB2 PRO A 26 30.453 9.843 -12.286 1.00 75.02 H new ATOM 0 HB3 PRO A 26 28.910 10.423 -12.881 1.00 75.02 H new ATOM 0 HG2 PRO A 26 31.217 11.980 -11.885 1.00 10.01 H new ATOM 0 HG3 PRO A 26 29.866 12.522 -12.860 1.00 10.01 H new ATOM 0 HD2 PRO A 26 30.248 12.976 -10.054 1.00 0.15 H new ATOM 0 HD3 PRO A 26 28.844 13.417 -11.005 1.00 0.15 H new ATOM 443 N ASN A 27 30.250 9.914 -8.693 1.00 44.12 N ATOM 444 CA ASN A 27 31.098 9.213 -7.744 1.00 60.52 C ATOM 445 C ASN A 27 30.249 8.734 -6.565 1.00 75.53 C ATOM 446 O ASN A 27 30.738 8.018 -5.693 1.00 61.42 O ATOM 447 CB ASN A 27 32.191 10.133 -7.196 1.00 73.35 C ATOM 448 CG ASN A 27 32.807 10.978 -8.313 1.00 72.44 C ATOM 449 OD1 ASN A 27 32.623 12.181 -8.390 1.00 10.30 O ATOM 450 ND2 ASN A 27 33.546 10.282 -9.173 1.00 2.14 N ATOM 0 H ASN A 27 29.973 10.852 -8.405 1.00 44.12 H new ATOM 0 HA ASN A 27 31.560 8.373 -8.262 1.00 60.52 H new ATOM 0 HB2 ASN A 27 31.772 10.786 -6.430 1.00 73.35 H new ATOM 0 HB3 ASN A 27 32.967 9.536 -6.716 1.00 73.35 H new ATOM 0 HD21 ASN A 27 33.999 10.755 -9.955 1.00 2.14 H new ATOM 0 HD22 ASN A 27 33.659 9.276 -9.050 1.00 2.14 H new ATOM 457 N ARG A 28 28.990 9.148 -6.577 1.00 62.01 N ATOM 458 CA ARG A 28 28.068 8.770 -5.520 1.00 11.23 C ATOM 459 C ARG A 28 27.286 7.518 -5.920 1.00 73.40 C ATOM 460 O ARG A 28 27.510 6.957 -6.992 1.00 4.33 O ATOM 461 CB ARG A 28 27.084 9.902 -5.216 1.00 42.14 C ATOM 462 CG ARG A 28 27.778 11.048 -4.478 1.00 2.32 C ATOM 463 CD ARG A 28 27.972 10.709 -2.998 1.00 43.44 C ATOM 464 NE ARG A 28 28.310 11.934 -2.239 1.00 33.23 N ATOM 465 CZ ARG A 28 29.550 12.462 -2.167 1.00 11.32 C ATOM 466 NH1 ARG A 28 30.583 11.877 -2.810 1.00 35.35 N ATOM 467 NH2 ARG A 28 29.738 13.560 -1.459 1.00 14.34 N ATOM 0 H ARG A 28 28.587 9.742 -7.302 1.00 62.01 H new ATOM 0 HA ARG A 28 28.656 8.565 -4.625 1.00 11.23 H new ATOM 0 HB2 ARG A 28 26.652 10.272 -6.146 1.00 42.14 H new ATOM 0 HB3 ARG A 28 26.261 9.521 -4.611 1.00 42.14 H new ATOM 0 HG2 ARG A 28 28.745 11.249 -4.939 1.00 2.32 H new ATOM 0 HG3 ARG A 28 27.185 11.958 -4.572 1.00 2.32 H new ATOM 0 HD2 ARG A 28 27.063 10.262 -2.597 1.00 43.44 H new ATOM 0 HD3 ARG A 28 28.766 9.971 -2.886 1.00 43.44 H new ATOM 0 HE ARG A 28 27.559 12.409 -1.739 1.00 33.23 H new ATOM 0 HH11 ARG A 28 30.430 11.029 -3.356 1.00 35.35 H new ATOM 0 HH12 ARG A 28 31.517 12.283 -2.750 1.00 35.35 H new ATOM 0 HH21 ARG A 28 28.952 13.997 -0.977 1.00 14.34 H new ATOM 0 HH22 ARG A 28 30.669 13.972 -1.394 1.00 14.34 H new ATOM 480 N ILE A 29 26.383 7.115 -5.037 1.00 43.14 N ATOM 481 CA ILE A 29 25.567 5.939 -5.285 1.00 54.14 C ATOM 482 C ILE A 29 24.200 6.124 -4.623 1.00 73.04 C ATOM 483 O ILE A 29 24.025 5.798 -3.450 1.00 51.04 O ATOM 484 CB ILE A 29 26.300 4.673 -4.838 1.00 43.21 C ATOM 485 CG1 ILE A 29 27.732 4.650 -5.378 1.00 31.42 C ATOM 486 CG2 ILE A 29 25.519 3.418 -5.232 1.00 15.32 C ATOM 487 CD1 ILE A 29 28.461 3.377 -4.942 1.00 2.22 C ATOM 0 H ILE A 29 26.199 7.582 -4.149 1.00 43.14 H new ATOM 0 HA ILE A 29 25.391 5.816 -6.354 1.00 54.14 H new ATOM 0 HB ILE A 29 26.365 4.682 -3.750 1.00 43.21 H new ATOM 0 HG12 ILE A 29 27.715 4.709 -6.466 1.00 31.42 H new ATOM 0 HG13 ILE A 29 28.274 5.525 -5.019 1.00 31.42 H new ATOM 0 HG21 ILE A 29 26.063 2.533 -4.902 1.00 15.32 H new ATOM 0 HG22 ILE A 29 24.537 3.438 -4.760 1.00 15.32 H new ATOM 0 HG23 ILE A 29 25.400 3.388 -6.315 1.00 15.32 H new ATOM 0 HD11 ILE A 29 29.476 3.385 -5.339 1.00 2.22 H new ATOM 0 HD12 ILE A 29 28.497 3.333 -3.853 1.00 2.22 H new ATOM 0 HD13 ILE A 29 27.930 2.505 -5.323 1.00 2.22 H new ATOM 499 N PRO A 30 23.241 6.660 -5.425 1.00 12.31 N ATOM 500 CA PRO A 30 21.895 6.893 -4.929 1.00 71.52 C ATOM 501 C PRO A 30 21.117 5.580 -4.819 1.00 21.43 C ATOM 502 O PRO A 30 20.581 5.086 -5.810 1.00 1.12 O ATOM 503 CB PRO A 30 21.275 7.869 -5.916 1.00 22.23 C ATOM 504 CG PRO A 30 22.126 7.787 -7.173 1.00 13.10 C ATOM 505 CD PRO A 30 23.412 7.058 -6.819 1.00 52.41 C ATOM 0 HA PRO A 30 21.884 7.306 -3.920 1.00 71.52 H new ATOM 0 HB2 PRO A 30 20.239 7.605 -6.128 1.00 22.23 H new ATOM 0 HB3 PRO A 30 21.270 8.882 -5.513 1.00 22.23 H new ATOM 0 HG2 PRO A 30 21.592 7.257 -7.962 1.00 13.10 H new ATOM 0 HG3 PRO A 30 22.345 8.785 -7.551 1.00 13.10 H new ATOM 0 HD2 PRO A 30 23.566 6.191 -7.462 1.00 52.41 H new ATOM 0 HD3 PRO A 30 24.281 7.705 -6.942 1.00 52.41 H new ATOM 513 N VAL A 31 21.080 5.051 -3.604 1.00 51.32 N ATOM 514 CA VAL A 31 20.377 3.805 -3.351 1.00 55.32 C ATOM 515 C VAL A 31 18.900 4.104 -3.084 1.00 31.51 C ATOM 516 O VAL A 31 18.541 5.232 -2.752 1.00 40.32 O ATOM 517 CB VAL A 31 21.050 3.047 -2.206 1.00 3.34 C ATOM 518 CG1 VAL A 31 20.368 3.352 -0.871 1.00 1.25 C ATOM 519 CG2 VAL A 31 21.070 1.542 -2.481 1.00 14.34 C ATOM 0 H VAL A 31 21.526 5.463 -2.784 1.00 51.32 H new ATOM 0 HA VAL A 31 20.425 3.155 -4.225 1.00 55.32 H new ATOM 0 HB VAL A 31 22.083 3.389 -2.140 1.00 3.34 H new ATOM 0 HG11 VAL A 31 20.866 2.800 -0.074 1.00 1.25 H new ATOM 0 HG12 VAL A 31 20.430 4.421 -0.666 1.00 1.25 H new ATOM 0 HG13 VAL A 31 19.321 3.052 -0.920 1.00 1.25 H new ATOM 0 HG21 VAL A 31 21.554 1.027 -1.651 1.00 14.34 H new ATOM 0 HG22 VAL A 31 20.048 1.178 -2.588 1.00 14.34 H new ATOM 0 HG23 VAL A 31 21.622 1.347 -3.400 1.00 14.34 H new ATOM 529 N ILE A 32 18.083 3.072 -3.238 1.00 64.43 N ATOM 530 CA ILE A 32 16.654 3.209 -3.018 1.00 33.13 C ATOM 531 C ILE A 32 16.151 2.016 -2.202 1.00 41.01 C ATOM 532 O ILE A 32 15.791 0.983 -2.764 1.00 62.30 O ATOM 533 CB ILE A 32 15.922 3.396 -4.348 1.00 51.42 C ATOM 534 CG1 ILE A 32 16.186 4.788 -4.928 1.00 33.42 C ATOM 535 CG2 ILE A 32 14.426 3.113 -4.196 1.00 1.12 C ATOM 536 CD1 ILE A 32 15.322 5.843 -4.235 1.00 10.24 C ATOM 0 H ILE A 32 18.384 2.137 -3.513 1.00 64.43 H new ATOM 0 HA ILE A 32 16.443 4.106 -2.436 1.00 33.13 H new ATOM 0 HB ILE A 32 16.316 2.670 -5.059 1.00 51.42 H new ATOM 0 HG12 ILE A 32 17.240 5.041 -4.810 1.00 33.42 H new ATOM 0 HG13 ILE A 32 15.976 4.786 -5.998 1.00 33.42 H new ATOM 0 HG21 ILE A 32 13.930 3.253 -5.156 1.00 1.12 H new ATOM 0 HG22 ILE A 32 14.282 2.086 -3.860 1.00 1.12 H new ATOM 0 HG23 ILE A 32 13.999 3.798 -3.463 1.00 1.12 H new ATOM 0 HD11 ILE A 32 15.529 6.823 -4.666 1.00 10.24 H new ATOM 0 HD12 ILE A 32 14.269 5.600 -4.375 1.00 10.24 H new ATOM 0 HD13 ILE A 32 15.552 5.859 -3.170 1.00 10.24 H new ATOM 548 N CYS A 33 16.142 2.199 -0.890 1.00 25.31 N ATOM 549 CA CYS A 33 15.690 1.150 0.009 1.00 51.42 C ATOM 550 C CYS A 33 14.210 1.386 0.315 1.00 55.11 C ATOM 551 O CYS A 33 13.725 2.513 0.224 1.00 50.01 O ATOM 552 CB CYS A 33 16.534 1.094 1.283 1.00 4.43 C ATOM 553 SG CYS A 33 16.376 2.665 2.208 1.00 5.52 S ATOM 0 H CYS A 33 16.440 3.058 -0.428 1.00 25.31 H new ATOM 0 HA CYS A 33 15.811 0.179 -0.471 1.00 51.42 H new ATOM 0 HB2 CYS A 33 16.211 0.261 1.907 1.00 4.43 H new ATOM 0 HB3 CYS A 33 17.579 0.915 1.029 1.00 4.43 H new ATOM 0 HG CYS A 33 16.188 2.409 3.469 1.00 5.52 H new ATOM 559 N GLU A 34 13.532 0.305 0.672 1.00 64.33 N ATOM 560 CA GLU A 34 12.117 0.380 0.992 1.00 70.42 C ATOM 561 C GLU A 34 11.794 -0.523 2.184 1.00 31.02 C ATOM 562 O GLU A 34 12.018 -1.731 2.131 1.00 30.32 O ATOM 563 CB GLU A 34 11.260 0.013 -0.222 1.00 23.25 C ATOM 564 CG GLU A 34 11.778 0.701 -1.486 1.00 71.54 C ATOM 565 CD GLU A 34 10.636 0.979 -2.465 1.00 53.35 C ATOM 566 OE1 GLU A 34 10.859 1.593 -3.520 1.00 14.24 O ATOM 567 OE2 GLU A 34 9.482 0.532 -2.099 1.00 43.42 O ATOM 0 H GLU A 34 13.937 -0.628 0.747 1.00 64.33 H new ATOM 0 HA GLU A 34 11.880 1.408 1.265 1.00 70.42 H new ATOM 0 HB2 GLU A 34 11.267 -1.068 -0.363 1.00 23.25 H new ATOM 0 HB3 GLU A 34 10.225 0.305 -0.043 1.00 23.25 H new ATOM 0 HG2 GLU A 34 12.270 1.637 -1.220 1.00 71.54 H new ATOM 0 HG3 GLU A 34 12.528 0.072 -1.966 1.00 71.54 H new ATOM 575 N LYS A 35 11.273 0.098 3.232 1.00 54.32 N ATOM 576 CA LYS A 35 10.916 -0.634 4.435 1.00 4.13 C ATOM 577 C LYS A 35 9.898 -1.720 4.084 1.00 54.23 C ATOM 578 O LYS A 35 8.941 -1.466 3.353 1.00 10.55 O ATOM 579 CB LYS A 35 10.439 0.327 5.526 1.00 41.33 C ATOM 580 CG LYS A 35 9.716 -0.427 6.643 1.00 13.13 C ATOM 581 CD LYS A 35 8.216 -0.528 6.355 1.00 4.55 C ATOM 582 CE LYS A 35 7.401 -0.404 7.644 1.00 3.23 C ATOM 583 NZ LYS A 35 6.134 -1.159 7.530 1.00 32.55 N ATOM 0 H LYS A 35 11.090 1.101 3.273 1.00 54.32 H new ATOM 0 HA LYS A 35 11.790 -1.138 4.847 1.00 4.13 H new ATOM 0 HB2 LYS A 35 11.292 0.866 5.939 1.00 41.33 H new ATOM 0 HB3 LYS A 35 9.771 1.071 5.093 1.00 41.33 H new ATOM 0 HG2 LYS A 35 10.139 -1.427 6.744 1.00 13.13 H new ATOM 0 HG3 LYS A 35 9.874 0.084 7.593 1.00 13.13 H new ATOM 0 HD2 LYS A 35 7.922 0.257 5.658 1.00 4.55 H new ATOM 0 HD3 LYS A 35 7.998 -1.481 5.873 1.00 4.55 H new ATOM 0 HE2 LYS A 35 7.981 -0.781 8.486 1.00 3.23 H new ATOM 0 HE3 LYS A 35 7.189 0.646 7.848 1.00 3.23 H new ATOM 0 HZ1 LYS A 35 5.632 -1.135 8.441 1.00 32.55 H new ATOM 0 HZ2 LYS A 35 5.538 -0.728 6.795 1.00 32.55 H new ATOM 0 HZ3 LYS A 35 6.340 -2.146 7.274 1.00 32.55 H new ATOM 596 N ALA A 36 10.138 -2.907 4.620 1.00 74.43 N ATOM 597 CA ALA A 36 9.253 -4.033 4.372 1.00 72.12 C ATOM 598 C ALA A 36 7.925 -3.801 5.095 1.00 32.43 C ATOM 599 O ALA A 36 7.899 -3.633 6.313 1.00 14.15 O ATOM 600 CB ALA A 36 9.938 -5.328 4.812 1.00 64.11 C ATOM 0 H ALA A 36 10.932 -3.114 5.225 1.00 74.43 H new ATOM 0 HA ALA A 36 9.037 -4.124 3.307 1.00 72.12 H new ATOM 0 HB1 ALA A 36 9.274 -6.172 4.626 1.00 64.11 H new ATOM 0 HB2 ALA A 36 10.861 -5.461 4.248 1.00 64.11 H new ATOM 0 HB3 ALA A 36 10.168 -5.275 5.876 1.00 64.11 H new ATOM 606 N GLU A 37 6.854 -3.800 4.314 1.00 25.44 N ATOM 607 CA GLU A 37 5.526 -3.592 4.865 1.00 22.25 C ATOM 608 C GLU A 37 5.231 -4.633 5.948 1.00 43.14 C ATOM 609 O GLU A 37 4.679 -4.304 6.996 1.00 1.22 O ATOM 610 CB GLU A 37 4.464 -3.629 3.765 1.00 20.50 C ATOM 611 CG GLU A 37 4.082 -5.070 3.420 1.00 21.30 C ATOM 612 CD GLU A 37 3.101 -5.112 2.247 1.00 41.43 C ATOM 613 OE1 GLU A 37 2.271 -4.202 2.100 1.00 32.25 O ATOM 614 OE2 GLU A 37 3.223 -6.134 1.469 1.00 4.14 O ATOM 0 H GLU A 37 6.879 -3.940 3.304 1.00 25.44 H new ATOM 0 HA GLU A 37 5.494 -2.603 5.322 1.00 22.25 H new ATOM 0 HB2 GLU A 37 3.579 -3.082 4.091 1.00 20.50 H new ATOM 0 HB3 GLU A 37 4.840 -3.125 2.874 1.00 20.50 H new ATOM 0 HG2 GLU A 37 4.978 -5.637 3.169 1.00 21.30 H new ATOM 0 HG3 GLU A 37 3.634 -5.549 4.290 1.00 21.30 H new ATOM 622 N LYS A 38 5.613 -5.868 5.656 1.00 52.33 N ATOM 623 CA LYS A 38 5.396 -6.959 6.591 1.00 42.42 C ATOM 624 C LYS A 38 6.104 -6.642 7.910 1.00 54.01 C ATOM 625 O LYS A 38 5.720 -7.151 8.962 1.00 53.30 O ATOM 626 CB LYS A 38 5.822 -8.290 5.969 1.00 60.03 C ATOM 627 CG LYS A 38 4.889 -8.682 4.821 1.00 21.31 C ATOM 628 CD LYS A 38 3.648 -9.406 5.347 1.00 72.14 C ATOM 629 CE LYS A 38 3.696 -10.896 5.003 1.00 33.34 C ATOM 630 NZ LYS A 38 4.119 -11.686 6.181 1.00 34.24 N ATOM 0 H LYS A 38 6.071 -6.137 4.785 1.00 52.33 H new ATOM 0 HA LYS A 38 4.334 -7.064 6.815 1.00 42.42 H new ATOM 0 HB2 LYS A 38 6.845 -8.213 5.601 1.00 60.03 H new ATOM 0 HB3 LYS A 38 5.815 -9.070 6.730 1.00 60.03 H new ATOM 0 HG2 LYS A 38 4.589 -7.790 4.271 1.00 21.31 H new ATOM 0 HG3 LYS A 38 5.420 -9.325 4.119 1.00 21.31 H new ATOM 0 HD2 LYS A 38 3.580 -9.281 6.428 1.00 72.14 H new ATOM 0 HD3 LYS A 38 2.752 -8.958 4.917 1.00 72.14 H new ATOM 0 HE2 LYS A 38 2.714 -11.230 4.667 1.00 33.34 H new ATOM 0 HE3 LYS A 38 4.389 -11.063 4.178 1.00 33.34 H new ATOM 0 HZ1 LYS A 38 4.146 -12.695 5.931 1.00 34.24 H new ATOM 0 HZ2 LYS A 38 5.065 -11.379 6.484 1.00 34.24 H new ATOM 0 HZ3 LYS A 38 3.443 -11.540 6.958 1.00 34.24 H new ATOM 643 N SER A 39 7.125 -5.803 7.811 1.00 75.45 N ATOM 644 CA SER A 39 7.889 -5.413 8.983 1.00 41.12 C ATOM 645 C SER A 39 6.975 -4.722 9.997 1.00 24.44 C ATOM 646 O SER A 39 5.794 -4.510 9.730 1.00 53.30 O ATOM 647 CB SER A 39 9.050 -4.492 8.602 1.00 61.44 C ATOM 648 OG SER A 39 10.169 -4.658 9.468 1.00 44.10 O ATOM 0 H SER A 39 7.441 -5.383 6.937 1.00 75.45 H new ATOM 0 HA SER A 39 8.307 -6.313 9.434 1.00 41.12 H new ATOM 0 HB2 SER A 39 9.353 -4.696 7.575 1.00 61.44 H new ATOM 0 HB3 SER A 39 8.716 -3.455 8.636 1.00 61.44 H new ATOM 0 HG SER A 39 10.770 -5.339 9.099 1.00 44.10 H new ATOM 654 N ASP A 40 7.557 -4.391 11.141 1.00 64.44 N ATOM 655 CA ASP A 40 6.810 -3.729 12.197 1.00 64.44 C ATOM 656 C ASP A 40 7.620 -2.542 12.721 1.00 42.22 C ATOM 657 O ASP A 40 7.323 -2.005 13.787 1.00 54.03 O ATOM 658 CB ASP A 40 6.552 -4.679 13.368 1.00 64.53 C ATOM 659 CG ASP A 40 5.568 -4.160 14.417 1.00 13.11 C ATOM 660 OD1 ASP A 40 5.951 -3.441 15.352 1.00 30.31 O ATOM 661 OD2 ASP A 40 4.343 -4.527 14.244 1.00 1.33 O ATOM 0 H ASP A 40 8.537 -4.569 11.359 1.00 64.44 H new ATOM 0 HA ASP A 40 5.857 -3.402 11.782 1.00 64.44 H new ATOM 0 HB2 ASP A 40 6.175 -5.623 12.974 1.00 64.53 H new ATOM 0 HB3 ASP A 40 7.502 -4.894 13.858 1.00 64.53 H new ATOM 667 N ILE A 41 8.628 -2.166 11.947 1.00 23.52 N ATOM 668 CA ILE A 41 9.483 -1.052 12.320 1.00 22.32 C ATOM 669 C ILE A 41 8.798 0.261 11.937 1.00 3.00 C ATOM 670 O ILE A 41 7.862 0.267 11.140 1.00 53.32 O ATOM 671 CB ILE A 41 10.877 -1.219 11.712 1.00 60.44 C ATOM 672 CG1 ILE A 41 10.969 -0.524 10.352 1.00 54.21 C ATOM 673 CG2 ILE A 41 11.265 -2.697 11.627 1.00 73.02 C ATOM 674 CD1 ILE A 41 12.282 -0.868 9.647 1.00 22.31 C ATOM 0 H ILE A 41 8.872 -2.613 11.063 1.00 23.52 H new ATOM 0 HA ILE A 41 9.632 -1.031 13.400 1.00 22.32 H new ATOM 0 HB ILE A 41 11.597 -0.734 12.371 1.00 60.44 H new ATOM 0 HG12 ILE A 41 10.128 -0.825 9.728 1.00 54.21 H new ATOM 0 HG13 ILE A 41 10.896 0.555 10.486 1.00 54.21 H new ATOM 0 HG21 ILE A 41 12.260 -2.787 11.191 1.00 73.02 H new ATOM 0 HG22 ILE A 41 11.266 -3.131 12.627 1.00 73.02 H new ATOM 0 HG23 ILE A 41 10.546 -3.227 11.002 1.00 73.02 H new ATOM 0 HD11 ILE A 41 12.321 -0.361 8.683 1.00 22.31 H new ATOM 0 HD12 ILE A 41 13.121 -0.543 10.262 1.00 22.31 H new ATOM 0 HD13 ILE A 41 12.341 -1.945 9.493 1.00 22.31 H new ATOM 686 N PRO A 42 9.305 1.370 12.538 1.00 2.55 N ATOM 687 CA PRO A 42 8.753 2.687 12.269 1.00 75.25 C ATOM 688 C PRO A 42 9.188 3.192 10.891 1.00 15.35 C ATOM 689 O PRO A 42 10.381 3.283 10.608 1.00 1.53 O ATOM 690 CB PRO A 42 9.249 3.563 13.407 1.00 30.00 C ATOM 691 CG PRO A 42 10.432 2.827 14.014 1.00 63.10 C ATOM 692 CD PRO A 42 10.414 1.401 13.488 1.00 71.00 C ATOM 0 HA PRO A 42 7.664 2.687 12.232 1.00 75.25 H new ATOM 0 HB2 PRO A 42 9.546 4.546 13.042 1.00 30.00 H new ATOM 0 HB3 PRO A 42 8.466 3.721 14.148 1.00 30.00 H new ATOM 0 HG2 PRO A 42 11.366 3.321 13.747 1.00 63.10 H new ATOM 0 HG3 PRO A 42 10.368 2.833 15.102 1.00 63.10 H new ATOM 0 HD2 PRO A 42 11.357 1.145 13.004 1.00 71.00 H new ATOM 0 HD3 PRO A 42 10.265 0.683 14.295 1.00 71.00 H new ATOM 700 N GLU A 43 8.196 3.508 10.072 1.00 74.11 N ATOM 701 CA GLU A 43 8.461 4.002 8.731 1.00 12.04 C ATOM 702 C GLU A 43 9.292 5.285 8.793 1.00 10.14 C ATOM 703 O GLU A 43 9.495 5.846 9.869 1.00 25.32 O ATOM 704 CB GLU A 43 7.157 4.230 7.963 1.00 24.22 C ATOM 705 CG GLU A 43 7.379 4.095 6.455 1.00 30.03 C ATOM 706 CD GLU A 43 6.077 3.727 5.741 1.00 62.04 C ATOM 707 OE1 GLU A 43 5.653 2.563 5.786 1.00 72.32 O ATOM 708 OE2 GLU A 43 5.500 4.701 5.122 1.00 4.23 O ATOM 0 H GLU A 43 7.207 3.432 10.311 1.00 74.11 H new ATOM 0 HA GLU A 43 9.034 3.247 8.193 1.00 12.04 H new ATOM 0 HB2 GLU A 43 6.407 3.509 8.290 1.00 24.22 H new ATOM 0 HB3 GLU A 43 6.766 5.222 8.189 1.00 24.22 H new ATOM 0 HG2 GLU A 43 7.765 5.033 6.055 1.00 30.03 H new ATOM 0 HG3 GLU A 43 8.133 3.332 6.261 1.00 30.03 H new ATOM 716 N ILE A 44 9.750 5.713 7.626 1.00 72.40 N ATOM 717 CA ILE A 44 10.554 6.919 7.534 1.00 3.10 C ATOM 718 C ILE A 44 9.821 7.952 6.675 1.00 21.44 C ATOM 719 O ILE A 44 8.680 7.732 6.273 1.00 33.31 O ATOM 720 CB ILE A 44 11.961 6.588 7.031 1.00 51.21 C ATOM 721 CG1 ILE A 44 11.905 5.651 5.823 1.00 54.35 C ATOM 722 CG2 ILE A 44 12.826 6.020 8.157 1.00 24.32 C ATOM 723 CD1 ILE A 44 13.212 5.701 5.029 1.00 73.01 C ATOM 0 H ILE A 44 9.579 5.246 6.736 1.00 72.40 H new ATOM 0 HA ILE A 44 10.689 7.363 8.520 1.00 3.10 H new ATOM 0 HB ILE A 44 12.432 7.513 6.699 1.00 51.21 H new ATOM 0 HG12 ILE A 44 11.718 4.631 6.158 1.00 54.35 H new ATOM 0 HG13 ILE A 44 11.073 5.933 5.178 1.00 54.35 H new ATOM 0 HG21 ILE A 44 13.821 5.793 7.773 1.00 24.32 H new ATOM 0 HG22 ILE A 44 12.906 6.753 8.960 1.00 24.32 H new ATOM 0 HG23 ILE A 44 12.369 5.108 8.542 1.00 24.32 H new ATOM 0 HD11 ILE A 44 13.145 5.026 4.176 1.00 73.01 H new ATOM 0 HD12 ILE A 44 13.384 6.717 4.675 1.00 73.01 H new ATOM 0 HD13 ILE A 44 14.039 5.395 5.670 1.00 73.01 H new ATOM 735 N ASP A 45 10.507 9.056 6.420 1.00 60.01 N ATOM 736 CA ASP A 45 9.935 10.123 5.616 1.00 3.13 C ATOM 737 C ASP A 45 9.991 9.729 4.139 1.00 34.20 C ATOM 738 O ASP A 45 8.963 9.690 3.464 1.00 12.23 O ATOM 739 CB ASP A 45 10.722 11.424 5.788 1.00 31.02 C ATOM 740 CG ASP A 45 9.935 12.701 5.486 1.00 74.52 C ATOM 741 OD1 ASP A 45 9.494 13.411 6.401 1.00 0.24 O ATOM 742 OD2 ASP A 45 9.777 12.960 4.232 1.00 61.31 O ATOM 0 H ASP A 45 11.453 9.235 6.756 1.00 60.01 H new ATOM 0 HA ASP A 45 8.907 10.277 5.943 1.00 3.13 H new ATOM 0 HB2 ASP A 45 11.090 11.476 6.813 1.00 31.02 H new ATOM 0 HB3 ASP A 45 11.596 11.391 5.137 1.00 31.02 H new ATOM 748 N LYS A 46 11.201 9.446 3.680 1.00 72.01 N ATOM 749 CA LYS A 46 11.404 9.056 2.295 1.00 54.11 C ATOM 750 C LYS A 46 12.633 8.150 2.199 1.00 12.14 C ATOM 751 O LYS A 46 13.388 8.019 3.161 1.00 0.14 O ATOM 752 CB LYS A 46 11.479 10.292 1.396 1.00 60.20 C ATOM 753 CG LYS A 46 12.190 11.445 2.107 1.00 25.33 C ATOM 754 CD LYS A 46 13.608 11.043 2.519 1.00 44.42 C ATOM 755 CE LYS A 46 14.427 10.599 1.305 1.00 75.22 C ATOM 756 NZ LYS A 46 14.304 11.585 0.208 1.00 73.22 N ATOM 0 H LYS A 46 12.051 9.479 4.243 1.00 72.01 H new ATOM 0 HA LYS A 46 10.553 8.478 1.933 1.00 54.11 H new ATOM 0 HB2 LYS A 46 12.009 10.045 0.476 1.00 60.20 H new ATOM 0 HB3 LYS A 46 10.473 10.601 1.111 1.00 60.20 H new ATOM 0 HG2 LYS A 46 12.231 12.313 1.449 1.00 25.33 H new ATOM 0 HG3 LYS A 46 11.621 11.740 2.989 1.00 25.33 H new ATOM 0 HD2 LYS A 46 14.101 11.884 3.007 1.00 44.42 H new ATOM 0 HD3 LYS A 46 13.563 10.234 3.248 1.00 44.42 H new ATOM 0 HE2 LYS A 46 15.474 10.488 1.586 1.00 75.22 H new ATOM 0 HE3 LYS A 46 14.083 9.622 0.964 1.00 75.22 H new ATOM 0 HZ1 LYS A 46 13.704 11.193 -0.545 1.00 73.22 H new ATOM 0 HZ2 LYS A 46 13.875 12.459 0.573 1.00 73.22 H new ATOM 0 HZ3 LYS A 46 15.247 11.797 -0.176 1.00 73.22 H new ATOM 769 N ARG A 47 12.795 7.548 1.030 1.00 2.24 N ATOM 770 CA ARG A 47 13.920 6.658 0.797 1.00 51.33 C ATOM 771 C ARG A 47 14.923 7.310 -0.158 1.00 32.44 C ATOM 772 O ARG A 47 14.708 7.332 -1.369 1.00 24.34 O ATOM 773 CB ARG A 47 13.455 5.326 0.205 1.00 15.22 C ATOM 774 CG ARG A 47 12.336 4.713 1.049 1.00 35.42 C ATOM 775 CD ARG A 47 11.349 3.939 0.172 1.00 31.24 C ATOM 776 NE ARG A 47 10.261 4.835 -0.277 1.00 53.35 N ATOM 777 CZ ARG A 47 9.307 5.335 0.536 1.00 15.04 C ATOM 778 NH1 ARG A 47 9.299 5.029 1.851 1.00 15.13 N ATOM 779 NH2 ARG A 47 8.381 6.127 0.027 1.00 5.12 N ATOM 0 H ARG A 47 12.166 7.659 0.234 1.00 2.24 H new ATOM 0 HA ARG A 47 14.398 6.468 1.758 1.00 51.33 H new ATOM 0 HB2 ARG A 47 13.103 5.480 -0.815 1.00 15.22 H new ATOM 0 HB3 ARG A 47 14.296 4.634 0.151 1.00 15.22 H new ATOM 0 HG2 ARG A 47 12.764 4.046 1.797 1.00 35.42 H new ATOM 0 HG3 ARG A 47 11.809 5.500 1.588 1.00 35.42 H new ATOM 0 HD2 ARG A 47 11.867 3.521 -0.691 1.00 31.24 H new ATOM 0 HD3 ARG A 47 10.933 3.100 0.731 1.00 31.24 H new ATOM 0 HE ARG A 47 10.230 5.091 -1.264 1.00 53.35 H new ATOM 0 HH11 ARG A 47 10.017 4.416 2.236 1.00 15.13 H new ATOM 0 HH12 ARG A 47 8.575 5.411 2.459 1.00 15.13 H new ATOM 0 HH21 ARG A 47 8.394 6.353 -0.968 1.00 5.12 H new ATOM 0 HH22 ARG A 47 7.653 6.513 0.628 1.00 5.12 H new ATOM 792 N LYS A 48 15.996 7.824 0.424 1.00 3.10 N ATOM 793 CA LYS A 48 17.033 8.474 -0.360 1.00 11.34 C ATOM 794 C LYS A 48 18.335 8.497 0.444 1.00 71.34 C ATOM 795 O LYS A 48 18.447 9.222 1.431 1.00 41.35 O ATOM 796 CB LYS A 48 16.569 9.858 -0.818 1.00 43.32 C ATOM 797 CG LYS A 48 17.220 10.242 -2.149 1.00 25.24 C ATOM 798 CD LYS A 48 17.047 11.735 -2.434 1.00 33.12 C ATOM 799 CE LYS A 48 18.045 12.211 -3.491 1.00 74.13 C ATOM 800 NZ LYS A 48 17.673 13.555 -3.986 1.00 43.35 N ATOM 0 H LYS A 48 16.170 7.804 1.429 1.00 3.10 H new ATOM 0 HA LYS A 48 17.231 7.911 -1.272 1.00 11.34 H new ATOM 0 HB2 LYS A 48 15.484 9.865 -0.924 1.00 43.32 H new ATOM 0 HB3 LYS A 48 16.820 10.599 -0.059 1.00 43.32 H new ATOM 0 HG2 LYS A 48 18.281 9.994 -2.124 1.00 25.24 H new ATOM 0 HG3 LYS A 48 16.775 9.660 -2.956 1.00 25.24 H new ATOM 0 HD2 LYS A 48 16.030 11.928 -2.776 1.00 33.12 H new ATOM 0 HD3 LYS A 48 17.187 12.303 -1.514 1.00 33.12 H new ATOM 0 HE2 LYS A 48 19.048 12.238 -3.066 1.00 74.13 H new ATOM 0 HE3 LYS A 48 18.069 11.505 -4.321 1.00 74.13 H new ATOM 0 HZ1 LYS A 48 18.360 13.864 -4.703 1.00 43.35 H new ATOM 0 HZ2 LYS A 48 16.724 13.518 -4.410 1.00 43.35 H new ATOM 0 HZ3 LYS A 48 17.673 14.229 -3.194 1.00 43.35 H new ATOM 813 N TYR A 49 19.286 7.693 -0.009 1.00 41.32 N ATOM 814 CA TYR A 49 20.576 7.612 0.655 1.00 31.20 C ATOM 815 C TYR A 49 21.720 7.679 -0.359 1.00 31.23 C ATOM 816 O TYR A 49 22.121 6.658 -0.916 1.00 55.23 O ATOM 817 CB TYR A 49 20.606 6.250 1.351 1.00 24.22 C ATOM 818 CG TYR A 49 19.757 6.181 2.622 1.00 4.41 C ATOM 819 CD1 TYR A 49 20.006 7.050 3.666 1.00 60.23 C ATOM 820 CD2 TYR A 49 18.743 5.251 2.725 1.00 11.51 C ATOM 821 CE1 TYR A 49 19.207 6.985 4.862 1.00 51.51 C ATOM 822 CE2 TYR A 49 17.944 5.187 3.921 1.00 12.13 C ATOM 823 CZ TYR A 49 18.215 6.057 4.931 1.00 42.44 C ATOM 824 OH TYR A 49 17.461 5.997 6.060 1.00 35.44 O ATOM 0 H TYR A 49 19.189 7.092 -0.828 1.00 41.32 H new ATOM 0 HA TYR A 49 20.702 8.441 1.352 1.00 31.20 H new ATOM 0 HB2 TYR A 49 20.258 5.489 0.652 1.00 24.22 H new ATOM 0 HB3 TYR A 49 21.638 6.005 1.602 1.00 24.22 H new ATOM 0 HD1 TYR A 49 20.800 7.778 3.585 1.00 60.23 H new ATOM 0 HD2 TYR A 49 18.549 4.571 1.909 1.00 11.51 H new ATOM 0 HE1 TYR A 49 19.391 7.658 5.686 1.00 51.51 H new ATOM 0 HE2 TYR A 49 17.147 4.464 4.014 1.00 12.13 H new ATOM 0 HH TYR A 49 16.654 5.469 5.886 1.00 35.44 H new ATOM 834 N LEU A 50 22.214 8.891 -0.567 1.00 34.44 N ATOM 835 CA LEU A 50 23.304 9.104 -1.503 1.00 54.14 C ATOM 836 C LEU A 50 24.635 8.828 -0.802 1.00 11.23 C ATOM 837 O LEU A 50 25.160 9.690 -0.098 1.00 61.31 O ATOM 838 CB LEU A 50 23.212 10.500 -2.122 1.00 45.43 C ATOM 839 CG LEU A 50 23.988 10.709 -3.425 1.00 21.24 C ATOM 840 CD1 LEU A 50 23.879 9.480 -4.330 1.00 44.40 C ATOM 841 CD2 LEU A 50 23.535 11.986 -4.135 1.00 13.05 C ATOM 0 H LEU A 50 21.879 9.735 -0.103 1.00 34.44 H new ATOM 0 HA LEU A 50 23.233 8.405 -2.336 1.00 54.14 H new ATOM 0 HB2 LEU A 50 22.162 10.725 -2.308 1.00 45.43 H new ATOM 0 HB3 LEU A 50 23.568 11.225 -1.390 1.00 45.43 H new ATOM 0 HG LEU A 50 25.042 10.836 -3.178 1.00 21.24 H new ATOM 0 HD11 LEU A 50 24.439 9.654 -5.249 1.00 44.40 H new ATOM 0 HD12 LEU A 50 24.288 8.611 -3.815 1.00 44.40 H new ATOM 0 HD13 LEU A 50 22.832 9.298 -4.572 1.00 44.40 H new ATOM 0 HD21 LEU A 50 24.102 12.110 -5.057 1.00 13.05 H new ATOM 0 HD22 LEU A 50 22.473 11.915 -4.369 1.00 13.05 H new ATOM 0 HD23 LEU A 50 23.707 12.844 -3.485 1.00 13.05 H new ATOM 853 N VAL A 51 25.143 7.624 -1.018 1.00 35.44 N ATOM 854 CA VAL A 51 26.403 7.223 -0.415 1.00 15.44 C ATOM 855 C VAL A 51 27.472 7.112 -1.504 1.00 15.35 C ATOM 856 O VAL A 51 27.153 6.896 -2.672 1.00 12.43 O ATOM 857 CB VAL A 51 26.216 5.926 0.375 1.00 61.02 C ATOM 858 CG1 VAL A 51 25.949 6.217 1.853 1.00 41.12 C ATOM 859 CG2 VAL A 51 25.097 5.074 -0.227 1.00 61.14 C ATOM 0 H VAL A 51 24.705 6.912 -1.603 1.00 35.44 H new ATOM 0 HA VAL A 51 26.742 7.975 0.297 1.00 15.44 H new ATOM 0 HB VAL A 51 27.143 5.357 0.308 1.00 61.02 H new ATOM 0 HG11 VAL A 51 25.820 5.278 2.391 1.00 41.12 H new ATOM 0 HG12 VAL A 51 26.793 6.764 2.274 1.00 41.12 H new ATOM 0 HG13 VAL A 51 25.044 6.817 1.948 1.00 41.12 H new ATOM 0 HG21 VAL A 51 24.985 4.158 0.353 1.00 61.14 H new ATOM 0 HG22 VAL A 51 24.162 5.634 -0.206 1.00 61.14 H new ATOM 0 HG23 VAL A 51 25.346 4.822 -1.258 1.00 61.14 H new ATOM 869 N PRO A 52 28.751 7.269 -1.071 1.00 23.13 N ATOM 870 CA PRO A 52 29.869 7.188 -1.995 1.00 42.53 C ATOM 871 C PRO A 52 30.146 5.738 -2.397 1.00 13.15 C ATOM 872 O PRO A 52 29.539 4.814 -1.857 1.00 15.51 O ATOM 873 CB PRO A 52 31.033 7.834 -1.262 1.00 45.31 C ATOM 874 CG PRO A 52 30.652 7.832 0.209 1.00 10.43 C ATOM 875 CD PRO A 52 29.166 7.526 0.305 1.00 24.23 C ATOM 0 HA PRO A 52 29.674 7.702 -2.936 1.00 42.53 H new ATOM 0 HB2 PRO A 52 31.956 7.278 -1.427 1.00 45.31 H new ATOM 0 HB3 PRO A 52 31.205 8.849 -1.620 1.00 45.31 H new ATOM 0 HG2 PRO A 52 31.231 7.086 0.752 1.00 10.43 H new ATOM 0 HG3 PRO A 52 30.873 8.799 0.662 1.00 10.43 H new ATOM 0 HD2 PRO A 52 28.980 6.662 0.943 1.00 24.23 H new ATOM 0 HD3 PRO A 52 28.616 8.363 0.735 1.00 24.23 H new ATOM 883 N ALA A 53 31.063 5.583 -3.340 1.00 52.31 N ATOM 884 CA ALA A 53 31.427 4.261 -3.820 1.00 4.03 C ATOM 885 C ALA A 53 32.559 3.703 -2.954 1.00 12.21 C ATOM 886 O ALA A 53 33.252 2.770 -3.357 1.00 55.20 O ATOM 887 CB ALA A 53 31.811 4.342 -5.299 1.00 13.03 C ATOM 0 H ALA A 53 31.565 6.351 -3.785 1.00 52.31 H new ATOM 0 HA ALA A 53 30.582 3.578 -3.740 1.00 4.03 H new ATOM 0 HB1 ALA A 53 32.084 3.350 -5.659 1.00 13.03 H new ATOM 0 HB2 ALA A 53 30.965 4.717 -5.875 1.00 13.03 H new ATOM 0 HB3 ALA A 53 32.658 5.017 -5.418 1.00 13.03 H new ATOM 893 N ASP A 54 32.711 4.298 -1.780 1.00 50.30 N ATOM 894 CA ASP A 54 33.746 3.873 -0.854 1.00 25.42 C ATOM 895 C ASP A 54 33.097 3.399 0.448 1.00 71.42 C ATOM 896 O ASP A 54 33.783 2.920 1.350 1.00 51.22 O ATOM 897 CB ASP A 54 34.693 5.027 -0.517 1.00 34.20 C ATOM 898 CG ASP A 54 35.603 5.472 -1.663 1.00 52.32 C ATOM 899 OD1 ASP A 54 35.757 4.763 -2.669 1.00 11.41 O ATOM 900 OD2 ASP A 54 36.176 6.615 -1.492 1.00 13.33 O ATOM 0 H ASP A 54 32.134 5.071 -1.449 1.00 50.30 H new ATOM 0 HA ASP A 54 34.311 3.070 -1.327 1.00 25.42 H new ATOM 0 HB2 ASP A 54 34.099 5.881 -0.192 1.00 34.20 H new ATOM 0 HB3 ASP A 54 35.316 4.732 0.328 1.00 34.20 H new ATOM 906 N LEU A 55 31.782 3.548 0.504 1.00 74.10 N ATOM 907 CA LEU A 55 31.032 3.141 1.680 1.00 33.02 C ATOM 908 C LEU A 55 30.691 1.653 1.573 1.00 1.20 C ATOM 909 O LEU A 55 30.683 1.092 0.479 1.00 61.14 O ATOM 910 CB LEU A 55 29.809 4.040 1.873 1.00 34.42 C ATOM 911 CG LEU A 55 28.885 3.674 3.037 1.00 54.13 C ATOM 912 CD1 LEU A 55 28.239 4.924 3.637 1.00 11.25 C ATOM 913 CD2 LEU A 55 27.842 2.641 2.605 1.00 13.30 C ATOM 0 H LEU A 55 31.216 3.945 -0.246 1.00 74.10 H new ATOM 0 HA LEU A 55 31.636 3.266 2.579 1.00 33.02 H new ATOM 0 HB2 LEU A 55 30.154 5.064 2.017 1.00 34.42 H new ATOM 0 HB3 LEU A 55 29.224 4.027 0.953 1.00 34.42 H new ATOM 0 HG LEU A 55 29.488 3.215 3.821 1.00 54.13 H new ATOM 0 HD11 LEU A 55 27.587 4.636 4.462 1.00 11.25 H new ATOM 0 HD12 LEU A 55 29.016 5.594 4.005 1.00 11.25 H new ATOM 0 HD13 LEU A 55 27.653 5.433 2.872 1.00 11.25 H new ATOM 0 HD21 LEU A 55 27.198 2.398 3.451 1.00 13.30 H new ATOM 0 HD22 LEU A 55 27.238 3.050 1.795 1.00 13.30 H new ATOM 0 HD23 LEU A 55 28.345 1.737 2.261 1.00 13.30 H new ATOM 925 N THR A 56 30.418 1.057 2.724 1.00 11.02 N ATOM 926 CA THR A 56 30.077 -0.355 2.774 1.00 44.34 C ATOM 927 C THR A 56 28.667 -0.544 3.335 1.00 12.42 C ATOM 928 O THR A 56 28.163 0.314 4.058 1.00 13.15 O ATOM 929 CB THR A 56 31.156 -1.073 3.586 1.00 22.15 C ATOM 930 OG1 THR A 56 30.843 -0.752 4.939 1.00 22.31 O ATOM 931 CG2 THR A 56 32.547 -0.472 3.373 1.00 22.44 C ATOM 0 H THR A 56 30.426 1.526 3.630 1.00 11.02 H new ATOM 0 HA THR A 56 30.056 -0.792 1.776 1.00 44.34 H new ATOM 0 HB THR A 56 31.172 -2.129 3.315 1.00 22.15 H new ATOM 0 HG1 THR A 56 31.493 -1.179 5.535 1.00 22.31 H new ATOM 0 HG21 THR A 56 33.275 -1.019 3.972 1.00 22.44 H new ATOM 0 HG22 THR A 56 32.817 -0.544 2.319 1.00 22.44 H new ATOM 0 HG23 THR A 56 32.541 0.575 3.675 1.00 22.44 H new ATOM 939 N VAL A 57 28.070 -1.672 2.981 1.00 54.13 N ATOM 940 CA VAL A 57 26.727 -1.984 3.440 1.00 20.52 C ATOM 941 C VAL A 57 26.608 -1.641 4.926 1.00 3.43 C ATOM 942 O VAL A 57 25.658 -0.978 5.340 1.00 44.53 O ATOM 943 CB VAL A 57 26.397 -3.447 3.137 1.00 64.51 C ATOM 944 CG1 VAL A 57 24.966 -3.786 3.558 1.00 51.41 C ATOM 945 CG2 VAL A 57 26.624 -3.765 1.657 1.00 35.04 C ATOM 0 H VAL A 57 28.491 -2.382 2.382 1.00 54.13 H new ATOM 0 HA VAL A 57 25.992 -1.381 2.907 1.00 20.52 H new ATOM 0 HB VAL A 57 27.074 -4.071 3.721 1.00 64.51 H new ATOM 0 HG11 VAL A 57 24.758 -4.832 3.331 1.00 51.41 H new ATOM 0 HG12 VAL A 57 24.852 -3.617 4.629 1.00 51.41 H new ATOM 0 HG13 VAL A 57 24.267 -3.151 3.014 1.00 51.41 H new ATOM 0 HG21 VAL A 57 26.382 -4.811 1.468 1.00 35.04 H new ATOM 0 HG22 VAL A 57 25.984 -3.129 1.046 1.00 35.04 H new ATOM 0 HG23 VAL A 57 27.668 -3.582 1.401 1.00 35.04 H new ATOM 955 N GLY A 58 27.586 -2.107 5.689 1.00 43.02 N ATOM 956 CA GLY A 58 27.603 -1.857 7.120 1.00 24.11 C ATOM 957 C GLY A 58 27.128 -0.437 7.435 1.00 71.34 C ATOM 958 O GLY A 58 26.116 -0.253 8.110 1.00 45.10 O ATOM 0 H GLY A 58 28.373 -2.656 5.343 1.00 43.02 H new ATOM 0 HA2 GLY A 58 26.963 -2.579 7.626 1.00 24.11 H new ATOM 0 HA3 GLY A 58 28.612 -2.001 7.506 1.00 24.11 H new ATOM 962 N GLN A 59 27.880 0.530 6.930 1.00 71.31 N ATOM 963 CA GLN A 59 27.548 1.927 7.149 1.00 51.45 C ATOM 964 C GLN A 59 26.063 2.170 6.873 1.00 74.45 C ATOM 965 O GLN A 59 25.329 2.618 7.752 1.00 2.03 O ATOM 966 CB GLN A 59 28.422 2.840 6.286 1.00 72.12 C ATOM 967 CG GLN A 59 29.889 2.410 6.345 1.00 70.13 C ATOM 968 CD GLN A 59 30.281 1.992 7.763 1.00 4.34 C ATOM 969 OE1 GLN A 59 30.505 0.829 8.056 1.00 3.34 O ATOM 970 NE2 GLN A 59 30.352 3.003 8.625 1.00 41.22 N ATOM 0 H GLN A 59 28.718 0.373 6.370 1.00 71.31 H new ATOM 0 HA GLN A 59 27.748 2.168 8.193 1.00 51.45 H new ATOM 0 HB2 GLN A 59 28.073 2.814 5.254 1.00 72.12 H new ATOM 0 HB3 GLN A 59 28.327 3.870 6.629 1.00 72.12 H new ATOM 0 HG2 GLN A 59 30.056 1.580 5.658 1.00 70.13 H new ATOM 0 HG3 GLN A 59 30.526 3.231 6.015 1.00 70.13 H new ATOM 0 HE21 GLN A 59 30.152 3.954 8.314 1.00 41.22 H new ATOM 0 HE22 GLN A 59 30.607 2.828 9.597 1.00 41.22 H new ATOM 979 N PHE A 60 25.663 1.862 5.647 1.00 4.22 N ATOM 980 CA PHE A 60 24.279 2.041 5.244 1.00 32.13 C ATOM 981 C PHE A 60 23.323 1.504 6.312 1.00 63.00 C ATOM 982 O PHE A 60 22.433 2.219 6.769 1.00 33.30 O ATOM 983 CB PHE A 60 24.082 1.244 3.953 1.00 21.45 C ATOM 984 CG PHE A 60 22.729 1.477 3.278 1.00 21.20 C ATOM 985 CD1 PHE A 60 22.339 2.739 2.954 1.00 23.13 C ATOM 986 CD2 PHE A 60 21.916 0.422 3.001 1.00 4.15 C ATOM 987 CE1 PHE A 60 21.084 2.955 2.328 1.00 53.45 C ATOM 988 CE2 PHE A 60 20.661 0.639 2.375 1.00 73.53 C ATOM 989 CZ PHE A 60 20.271 1.901 2.051 1.00 71.30 C ATOM 0 H PHE A 60 26.274 1.490 4.920 1.00 4.22 H new ATOM 0 HA PHE A 60 24.067 3.101 5.104 1.00 32.13 H new ATOM 0 HB2 PHE A 60 24.876 1.505 3.253 1.00 21.45 H new ATOM 0 HB3 PHE A 60 24.188 0.182 4.174 1.00 21.45 H new ATOM 0 HD1 PHE A 60 22.984 3.577 3.173 1.00 23.13 H new ATOM 0 HD2 PHE A 60 22.226 -0.580 3.257 1.00 4.15 H new ATOM 0 HE1 PHE A 60 20.774 3.957 2.071 1.00 53.45 H new ATOM 0 HE2 PHE A 60 20.015 -0.198 2.156 1.00 73.53 H new ATOM 0 HZ PHE A 60 19.316 2.066 1.574 1.00 71.30 H new ATOM 999 N VAL A 61 23.541 0.250 6.678 1.00 22.44 N ATOM 1000 CA VAL A 61 22.711 -0.391 7.684 1.00 74.42 C ATOM 1001 C VAL A 61 22.468 0.585 8.837 1.00 63.42 C ATOM 1002 O VAL A 61 21.394 0.590 9.435 1.00 75.11 O ATOM 1003 CB VAL A 61 23.355 -1.703 8.136 1.00 22.23 C ATOM 1004 CG1 VAL A 61 22.428 -2.473 9.079 1.00 71.13 C ATOM 1005 CG2 VAL A 61 23.752 -2.562 6.934 1.00 31.42 C ATOM 0 H VAL A 61 24.280 -0.340 6.296 1.00 22.44 H new ATOM 0 HA VAL A 61 21.738 -0.650 7.267 1.00 74.42 H new ATOM 0 HB VAL A 61 24.263 -1.458 8.686 1.00 22.23 H new ATOM 0 HG11 VAL A 61 22.910 -3.401 9.385 1.00 71.13 H new ATOM 0 HG12 VAL A 61 22.218 -1.865 9.959 1.00 71.13 H new ATOM 0 HG13 VAL A 61 21.494 -2.701 8.565 1.00 71.13 H new ATOM 0 HG21 VAL A 61 24.207 -3.489 7.284 1.00 31.42 H new ATOM 0 HG22 VAL A 61 22.865 -2.793 6.344 1.00 31.42 H new ATOM 0 HG23 VAL A 61 24.466 -2.017 6.317 1.00 31.42 H new ATOM 1015 N TYR A 62 23.485 1.387 9.114 1.00 5.12 N ATOM 1016 CA TYR A 62 23.397 2.365 10.185 1.00 54.30 C ATOM 1017 C TYR A 62 22.661 3.623 9.719 1.00 42.43 C ATOM 1018 O TYR A 62 21.839 4.173 10.450 1.00 4.41 O ATOM 1019 CB TYR A 62 24.838 2.734 10.540 1.00 23.11 C ATOM 1020 CG TYR A 62 25.034 3.144 12.001 1.00 52.41 C ATOM 1021 CD1 TYR A 62 24.404 2.439 13.006 1.00 0.22 C ATOM 1022 CD2 TYR A 62 25.840 4.220 12.313 1.00 1.25 C ATOM 1023 CE1 TYR A 62 24.588 2.826 14.381 1.00 30.31 C ATOM 1024 CE2 TYR A 62 26.024 4.607 13.688 1.00 21.34 C ATOM 1025 CZ TYR A 62 25.389 3.890 14.654 1.00 11.43 C ATOM 1026 OH TYR A 62 25.563 4.255 15.953 1.00 53.41 O ATOM 0 H TYR A 62 24.375 1.380 8.615 1.00 5.12 H new ATOM 0 HA TYR A 62 22.850 1.956 11.034 1.00 54.30 H new ATOM 0 HB2 TYR A 62 25.484 1.884 10.322 1.00 23.11 H new ATOM 0 HB3 TYR A 62 25.161 3.553 9.897 1.00 23.11 H new ATOM 0 HD1 TYR A 62 23.773 1.597 12.762 1.00 0.22 H new ATOM 0 HD2 TYR A 62 26.333 4.772 11.526 1.00 1.25 H new ATOM 0 HE1 TYR A 62 24.101 2.283 15.177 1.00 30.31 H new ATOM 0 HE2 TYR A 62 26.652 5.447 13.946 1.00 21.34 H new ATOM 0 HH TYR A 62 26.161 5.030 15.998 1.00 53.41 H new ATOM 1036 N VAL A 63 22.983 4.042 8.504 1.00 43.33 N ATOM 1037 CA VAL A 63 22.364 5.225 7.931 1.00 14.31 C ATOM 1038 C VAL A 63 20.852 5.166 8.162 1.00 42.24 C ATOM 1039 O VAL A 63 20.243 6.156 8.563 1.00 54.54 O ATOM 1040 CB VAL A 63 22.738 5.349 6.453 1.00 65.01 C ATOM 1041 CG1 VAL A 63 21.699 6.174 5.691 1.00 64.00 C ATOM 1042 CG2 VAL A 63 24.138 5.945 6.290 1.00 23.23 C ATOM 0 H VAL A 63 23.665 3.583 7.900 1.00 43.33 H new ATOM 0 HA VAL A 63 22.734 6.125 8.422 1.00 14.31 H new ATOM 0 HB VAL A 63 22.748 4.346 6.025 1.00 65.01 H new ATOM 0 HG11 VAL A 63 21.989 6.246 4.643 1.00 64.00 H new ATOM 0 HG12 VAL A 63 20.725 5.690 5.765 1.00 64.00 H new ATOM 0 HG13 VAL A 63 21.641 7.174 6.121 1.00 64.00 H new ATOM 0 HG21 VAL A 63 24.379 6.022 5.230 1.00 23.23 H new ATOM 0 HG22 VAL A 63 24.166 6.937 6.742 1.00 23.23 H new ATOM 0 HG23 VAL A 63 24.867 5.301 6.782 1.00 23.23 H new ATOM 1052 N ILE A 64 20.291 3.995 7.898 1.00 10.33 N ATOM 1053 CA ILE A 64 18.862 3.794 8.072 1.00 5.01 C ATOM 1054 C ILE A 64 18.514 3.901 9.558 1.00 72.40 C ATOM 1055 O ILE A 64 17.593 4.625 9.933 1.00 73.52 O ATOM 1056 CB ILE A 64 18.425 2.476 7.431 1.00 62.52 C ATOM 1057 CG1 ILE A 64 18.370 2.599 5.907 1.00 65.33 C ATOM 1058 CG2 ILE A 64 17.095 1.996 8.015 1.00 11.23 C ATOM 1059 CD1 ILE A 64 19.772 2.782 5.321 1.00 71.22 C ATOM 0 H ILE A 64 20.800 3.176 7.565 1.00 10.33 H new ATOM 0 HA ILE A 64 18.301 4.574 7.556 1.00 5.01 H new ATOM 0 HB ILE A 64 19.172 1.718 7.666 1.00 62.52 H new ATOM 0 HG12 ILE A 64 17.908 1.707 5.483 1.00 65.33 H new ATOM 0 HG13 ILE A 64 17.742 3.446 5.629 1.00 65.33 H new ATOM 0 HG21 ILE A 64 16.808 1.057 7.542 1.00 11.23 H new ATOM 0 HG22 ILE A 64 17.203 1.843 9.089 1.00 11.23 H new ATOM 0 HG23 ILE A 64 16.325 2.746 7.831 1.00 11.23 H new ATOM 0 HD11 ILE A 64 19.705 2.867 4.236 1.00 71.22 H new ATOM 0 HD12 ILE A 64 20.221 3.688 5.729 1.00 71.22 H new ATOM 0 HD13 ILE A 64 20.390 1.922 5.580 1.00 71.22 H new ATOM 1071 N ARG A 65 19.269 3.169 10.364 1.00 33.31 N ATOM 1072 CA ARG A 65 19.051 3.172 11.801 1.00 60.22 C ATOM 1073 C ARG A 65 18.876 4.605 12.308 1.00 72.40 C ATOM 1074 O ARG A 65 18.251 4.828 13.343 1.00 13.25 O ATOM 1075 CB ARG A 65 20.222 2.517 12.537 1.00 51.34 C ATOM 1076 CG ARG A 65 19.859 2.224 13.994 1.00 74.34 C ATOM 1077 CD ARG A 65 20.611 0.995 14.510 1.00 41.55 C ATOM 1078 NE ARG A 65 20.454 -0.130 13.561 1.00 10.31 N ATOM 1079 CZ ARG A 65 21.304 -1.175 13.480 1.00 61.25 C ATOM 1080 NH1 ARG A 65 22.381 -1.248 14.291 1.00 53.22 N ATOM 1081 NH2 ARG A 65 21.067 -2.125 12.594 1.00 30.45 N ATOM 0 H ARG A 65 20.032 2.570 10.050 1.00 33.31 H new ATOM 0 HA ARG A 65 18.145 2.599 12.000 1.00 60.22 H new ATOM 0 HB2 ARG A 65 20.500 1.591 12.034 1.00 51.34 H new ATOM 0 HB3 ARG A 65 21.092 3.173 12.500 1.00 51.34 H new ATOM 0 HG2 ARG A 65 20.099 3.088 14.613 1.00 74.34 H new ATOM 0 HG3 ARG A 65 18.785 2.060 14.079 1.00 74.34 H new ATOM 0 HD2 ARG A 65 21.668 1.231 14.635 1.00 41.55 H new ATOM 0 HD3 ARG A 65 20.230 0.710 15.491 1.00 41.55 H new ATOM 0 HE ARG A 65 19.654 -0.114 12.929 1.00 10.31 H new ATOM 0 HH11 ARG A 65 22.558 -0.509 14.972 1.00 53.22 H new ATOM 0 HH12 ARG A 65 23.018 -2.042 14.223 1.00 53.22 H new ATOM 0 HH21 ARG A 65 20.252 -2.062 11.984 1.00 30.45 H new ATOM 0 HH22 ARG A 65 21.699 -2.922 12.519 1.00 30.45 H new ATOM 1094 N LYS A 66 19.439 5.538 11.555 1.00 51.01 N ATOM 1095 CA LYS A 66 19.353 6.943 11.915 1.00 13.13 C ATOM 1096 C LYS A 66 17.977 7.483 11.521 1.00 75.24 C ATOM 1097 O LYS A 66 17.292 8.102 12.334 1.00 41.13 O ATOM 1098 CB LYS A 66 20.518 7.725 11.306 1.00 71.03 C ATOM 1099 CG LYS A 66 21.678 7.842 12.297 1.00 70.44 C ATOM 1100 CD LYS A 66 22.777 6.826 11.976 1.00 14.05 C ATOM 1101 CE LYS A 66 24.162 7.409 12.261 1.00 42.42 C ATOM 1102 NZ LYS A 66 24.093 8.396 13.362 1.00 22.42 N ATOM 0 H LYS A 66 19.957 5.349 10.697 1.00 51.01 H new ATOM 0 HA LYS A 66 19.447 7.066 12.994 1.00 13.13 H new ATOM 0 HB2 LYS A 66 20.859 7.228 10.398 1.00 71.03 H new ATOM 0 HB3 LYS A 66 20.181 8.720 11.016 1.00 71.03 H new ATOM 0 HG2 LYS A 66 22.089 8.851 12.264 1.00 70.44 H new ATOM 0 HG3 LYS A 66 21.313 7.680 13.311 1.00 70.44 H new ATOM 0 HD2 LYS A 66 22.629 5.924 12.570 1.00 14.05 H new ATOM 0 HD3 LYS A 66 22.711 6.532 10.929 1.00 14.05 H new ATOM 0 HE2 LYS A 66 24.853 6.608 12.525 1.00 42.42 H new ATOM 0 HE3 LYS A 66 24.555 7.885 11.362 1.00 42.42 H new ATOM 0 HZ1 LYS A 66 25.026 8.478 13.814 1.00 22.42 H new ATOM 0 HZ2 LYS A 66 23.810 9.322 12.981 1.00 22.42 H new ATOM 0 HZ3 LYS A 66 23.394 8.083 14.066 1.00 22.42 H new ATOM 1115 N ARG A 67 17.612 7.228 10.273 1.00 41.25 N ATOM 1116 CA ARG A 67 16.330 7.681 9.760 1.00 31.21 C ATOM 1117 C ARG A 67 15.193 7.163 10.643 1.00 12.32 C ATOM 1118 O ARG A 67 14.159 7.816 10.775 1.00 34.14 O ATOM 1119 CB ARG A 67 16.110 7.201 8.324 1.00 22.31 C ATOM 1120 CG ARG A 67 16.386 8.324 7.322 1.00 22.32 C ATOM 1121 CD ARG A 67 15.323 9.420 7.421 1.00 65.01 C ATOM 1122 NE ARG A 67 15.769 10.474 8.360 1.00 71.41 N ATOM 1123 CZ ARG A 67 16.742 11.368 8.087 1.00 4.22 C ATOM 1124 NH1 ARG A 67 17.382 11.344 6.898 1.00 13.04 N ATOM 1125 NH2 ARG A 67 17.060 12.267 9.000 1.00 30.14 N ATOM 0 H ARG A 67 18.182 6.713 9.602 1.00 41.25 H new ATOM 0 HA ARG A 67 16.335 8.771 9.770 1.00 31.21 H new ATOM 0 HB2 ARG A 67 16.764 6.354 8.116 1.00 22.31 H new ATOM 0 HB3 ARG A 67 15.085 6.849 8.208 1.00 22.31 H new ATOM 0 HG2 ARG A 67 17.371 8.750 7.510 1.00 22.32 H new ATOM 0 HG3 ARG A 67 16.402 7.918 6.311 1.00 22.32 H new ATOM 0 HD2 ARG A 67 15.141 9.852 6.437 1.00 65.01 H new ATOM 0 HD3 ARG A 67 14.380 8.993 7.762 1.00 65.01 H new ATOM 0 HE ARG A 67 15.312 10.528 9.270 1.00 71.41 H new ATOM 0 HH11 ARG A 67 17.131 10.646 6.198 1.00 13.04 H new ATOM 0 HH12 ARG A 67 18.116 12.024 6.700 1.00 13.04 H new ATOM 0 HH21 ARG A 67 16.572 12.279 9.896 1.00 30.14 H new ATOM 0 HH22 ARG A 67 17.793 12.950 8.810 1.00 30.14 H new ATOM 1138 N ILE A 68 15.423 5.995 11.225 1.00 54.31 N ATOM 1139 CA ILE A 68 14.430 5.383 12.092 1.00 62.23 C ATOM 1140 C ILE A 68 14.843 5.581 13.552 1.00 54.14 C ATOM 1141 O ILE A 68 14.045 5.358 14.461 1.00 24.24 O ATOM 1142 CB ILE A 68 14.214 3.918 11.707 1.00 23.32 C ATOM 1143 CG1 ILE A 68 15.533 3.258 11.299 1.00 70.14 C ATOM 1144 CG2 ILE A 68 13.147 3.788 10.619 1.00 50.04 C ATOM 1145 CD1 ILE A 68 15.475 1.743 11.505 1.00 3.14 C ATOM 0 H ILE A 68 16.282 5.456 11.113 1.00 54.31 H new ATOM 0 HA ILE A 68 13.462 5.868 11.966 1.00 62.23 H new ATOM 0 HB ILE A 68 13.845 3.385 12.584 1.00 23.32 H new ATOM 0 HG12 ILE A 68 15.746 3.478 10.253 1.00 70.14 H new ATOM 0 HG13 ILE A 68 16.350 3.677 11.886 1.00 70.14 H new ATOM 0 HG21 ILE A 68 13.013 2.737 10.364 1.00 50.04 H new ATOM 0 HG22 ILE A 68 12.204 4.196 10.983 1.00 50.04 H new ATOM 0 HG23 ILE A 68 13.462 4.339 9.733 1.00 50.04 H new ATOM 0 HD11 ILE A 68 16.425 1.299 11.207 1.00 3.14 H new ATOM 0 HD12 ILE A 68 15.286 1.526 12.556 1.00 3.14 H new ATOM 0 HD13 ILE A 68 14.672 1.324 10.898 1.00 3.14 H new ATOM 1157 N MET A 69 16.087 5.999 13.730 1.00 23.51 N ATOM 1158 CA MET A 69 16.615 6.230 15.064 1.00 21.51 C ATOM 1159 C MET A 69 16.169 5.128 16.028 1.00 5.44 C ATOM 1160 O MET A 69 15.675 5.415 17.117 1.00 15.04 O ATOM 1161 CB MET A 69 16.129 7.586 15.578 1.00 53.11 C ATOM 1162 CG MET A 69 14.601 7.633 15.640 1.00 34.22 C ATOM 1163 SD MET A 69 14.069 9.106 16.497 1.00 63.04 S ATOM 1164 CE MET A 69 14.848 10.352 15.483 1.00 61.22 C ATOM 0 H MET A 69 16.745 6.184 12.973 1.00 23.51 H new ATOM 0 HA MET A 69 17.704 6.221 15.010 1.00 21.51 H new ATOM 0 HB2 MET A 69 16.543 7.773 16.569 1.00 53.11 H new ATOM 0 HB3 MET A 69 16.495 8.379 14.925 1.00 53.11 H new ATOM 0 HG2 MET A 69 14.187 7.620 14.632 1.00 34.22 H new ATOM 0 HG3 MET A 69 14.222 6.748 16.151 1.00 34.22 H new ATOM 0 HE1 MET A 69 14.354 11.311 15.641 1.00 61.22 H new ATOM 0 HE2 MET A 69 15.900 10.437 15.755 1.00 61.22 H new ATOM 0 HE3 MET A 69 14.766 10.070 14.433 1.00 61.22 H new ATOM 1174 N LEU A 70 16.361 3.892 15.593 1.00 21.23 N ATOM 1175 CA LEU A 70 15.985 2.746 16.404 1.00 0.34 C ATOM 1176 C LEU A 70 16.930 2.644 17.603 1.00 31.34 C ATOM 1177 O LEU A 70 18.047 3.156 17.563 1.00 3.14 O ATOM 1178 CB LEU A 70 15.935 1.478 15.550 1.00 24.01 C ATOM 1179 CG LEU A 70 14.539 0.951 15.213 1.00 63.33 C ATOM 1180 CD1 LEU A 70 13.564 2.103 14.964 1.00 74.53 C ATOM 1181 CD2 LEU A 70 14.591 -0.022 14.033 1.00 51.12 C ATOM 0 H LEU A 70 16.772 3.658 14.689 1.00 21.23 H new ATOM 0 HA LEU A 70 14.978 2.874 16.801 1.00 0.34 H new ATOM 0 HB2 LEU A 70 16.464 1.671 14.617 1.00 24.01 H new ATOM 0 HB3 LEU A 70 16.483 0.692 16.070 1.00 24.01 H new ATOM 0 HG LEU A 70 14.166 0.394 16.073 1.00 63.33 H new ATOM 0 HD11 LEU A 70 12.579 1.701 14.726 1.00 74.53 H new ATOM 0 HD12 LEU A 70 13.497 2.723 15.858 1.00 74.53 H new ATOM 0 HD13 LEU A 70 13.920 2.707 14.130 1.00 74.53 H new ATOM 0 HD21 LEU A 70 13.586 -0.382 13.814 1.00 51.12 H new ATOM 0 HD22 LEU A 70 14.993 0.489 13.158 1.00 51.12 H new ATOM 0 HD23 LEU A 70 15.232 -0.867 14.286 1.00 51.12 H new ATOM 1193 N PRO A 71 16.434 1.960 18.669 1.00 14.34 N ATOM 1194 CA PRO A 71 17.221 1.784 19.878 1.00 60.13 C ATOM 1195 C PRO A 71 18.315 0.735 19.671 1.00 64.23 C ATOM 1196 O PRO A 71 18.322 0.030 18.662 1.00 4.44 O ATOM 1197 CB PRO A 71 16.216 1.391 20.948 1.00 22.32 C ATOM 1198 CG PRO A 71 14.981 0.910 20.204 1.00 21.30 C ATOM 1199 CD PRO A 71 15.115 1.340 18.752 1.00 34.23 C ATOM 0 HA PRO A 71 17.757 2.688 20.167 1.00 60.13 H new ATOM 0 HB2 PRO A 71 16.616 0.606 21.590 1.00 22.32 H new ATOM 0 HB3 PRO A 71 15.979 2.238 21.591 1.00 22.32 H new ATOM 0 HG2 PRO A 71 14.891 -0.174 20.274 1.00 21.30 H new ATOM 0 HG3 PRO A 71 14.080 1.334 20.646 1.00 21.30 H new ATOM 0 HD2 PRO A 71 15.035 0.487 18.078 1.00 34.23 H new ATOM 0 HD3 PRO A 71 14.329 2.042 18.473 1.00 34.23 H new ATOM 1207 N PRO A 72 19.238 0.662 20.667 1.00 12.15 N ATOM 1208 CA PRO A 72 20.334 -0.289 20.605 1.00 63.14 C ATOM 1209 C PRO A 72 19.847 -1.708 20.905 1.00 62.13 C ATOM 1210 O PRO A 72 20.630 -2.656 20.874 1.00 30.43 O ATOM 1211 CB PRO A 72 21.352 0.216 21.615 1.00 74.13 C ATOM 1212 CG PRO A 72 20.593 1.159 22.534 1.00 1.22 C ATOM 1213 CD PRO A 72 19.261 1.481 21.876 1.00 21.53 C ATOM 0 HA PRO A 72 20.778 -0.354 19.612 1.00 63.14 H new ATOM 0 HB2 PRO A 72 21.788 -0.610 22.177 1.00 74.13 H new ATOM 0 HB3 PRO A 72 22.173 0.732 21.118 1.00 74.13 H new ATOM 0 HG2 PRO A 72 20.435 0.697 23.509 1.00 1.22 H new ATOM 0 HG3 PRO A 72 21.166 2.071 22.702 1.00 1.22 H new ATOM 0 HD2 PRO A 72 18.426 1.240 22.534 1.00 21.53 H new ATOM 0 HD3 PRO A 72 19.183 2.542 21.637 1.00 21.53 H new ATOM 1221 N GLU A 73 18.557 -1.809 21.188 1.00 52.03 N ATOM 1222 CA GLU A 73 17.956 -3.096 21.493 1.00 70.31 C ATOM 1223 C GLU A 73 17.346 -3.710 20.231 1.00 13.22 C ATOM 1224 O GLU A 73 17.250 -4.931 20.114 1.00 44.51 O ATOM 1225 CB GLU A 73 16.908 -2.964 22.600 1.00 43.30 C ATOM 1226 CG GLU A 73 15.642 -2.281 22.078 1.00 63.31 C ATOM 1227 CD GLU A 73 14.559 -2.235 23.158 1.00 43.13 C ATOM 1228 OE1 GLU A 73 14.228 -1.149 23.657 1.00 73.41 O ATOM 1229 OE2 GLU A 73 14.056 -3.380 23.475 1.00 50.44 O ATOM 0 H GLU A 73 17.911 -1.020 21.213 1.00 52.03 H new ATOM 0 HA GLU A 73 18.738 -3.763 21.856 1.00 70.31 H new ATOM 0 HB2 GLU A 73 16.659 -3.951 22.989 1.00 43.30 H new ATOM 0 HB3 GLU A 73 17.320 -2.389 23.429 1.00 43.30 H new ATOM 0 HG2 GLU A 73 15.879 -1.268 21.752 1.00 63.31 H new ATOM 0 HG3 GLU A 73 15.268 -2.817 21.206 1.00 63.31 H new ATOM 1237 N LYS A 74 16.948 -2.835 19.319 1.00 43.10 N ATOM 1238 CA LYS A 74 16.350 -3.275 18.070 1.00 31.43 C ATOM 1239 C LYS A 74 17.410 -3.982 17.223 1.00 31.22 C ATOM 1240 O LYS A 74 18.571 -4.068 17.620 1.00 0.11 O ATOM 1241 CB LYS A 74 15.674 -2.103 17.357 1.00 42.51 C ATOM 1242 CG LYS A 74 14.165 -2.103 17.609 1.00 21.31 C ATOM 1243 CD LYS A 74 13.399 -2.507 16.348 1.00 33.51 C ATOM 1244 CE LYS A 74 12.034 -3.100 16.703 1.00 74.54 C ATOM 1245 NZ LYS A 74 11.740 -4.273 15.848 1.00 0.31 N ATOM 0 H LYS A 74 17.028 -1.823 19.420 1.00 43.10 H new ATOM 0 HA LYS A 74 15.559 -4.000 18.261 1.00 31.43 H new ATOM 0 HB2 LYS A 74 16.104 -1.164 17.705 1.00 42.51 H new ATOM 0 HB3 LYS A 74 15.867 -2.164 16.286 1.00 42.51 H new ATOM 0 HG2 LYS A 74 13.928 -2.792 18.419 1.00 21.31 H new ATOM 0 HG3 LYS A 74 13.846 -1.111 17.930 1.00 21.31 H new ATOM 0 HD2 LYS A 74 13.266 -1.637 15.705 1.00 33.51 H new ATOM 0 HD3 LYS A 74 13.980 -3.235 15.783 1.00 33.51 H new ATOM 0 HE2 LYS A 74 12.021 -3.395 17.752 1.00 74.54 H new ATOM 0 HE3 LYS A 74 11.258 -2.345 16.574 1.00 74.54 H new ATOM 0 HZ1 LYS A 74 10.810 -4.663 16.102 1.00 0.31 H new ATOM 0 HZ2 LYS A 74 11.732 -3.982 14.850 1.00 0.31 H new ATOM 0 HZ3 LYS A 74 12.471 -4.999 15.991 1.00 0.31 H new ATOM 1258 N ALA A 75 16.972 -4.470 16.072 1.00 64.52 N ATOM 1259 CA ALA A 75 17.869 -5.167 15.165 1.00 22.13 C ATOM 1260 C ALA A 75 17.297 -5.113 13.747 1.00 31.44 C ATOM 1261 O ALA A 75 16.324 -5.801 13.440 1.00 10.54 O ATOM 1262 CB ALA A 75 18.078 -6.601 15.656 1.00 64.23 C ATOM 0 H ALA A 75 16.008 -4.397 15.746 1.00 64.52 H new ATOM 0 HA ALA A 75 18.846 -4.684 15.144 1.00 22.13 H new ATOM 0 HB1 ALA A 75 18.751 -7.124 14.976 1.00 64.23 H new ATOM 0 HB2 ALA A 75 18.513 -6.584 16.655 1.00 64.23 H new ATOM 0 HB3 ALA A 75 17.119 -7.118 15.687 1.00 64.23 H new ATOM 1268 N ILE A 76 17.925 -4.290 12.921 1.00 62.43 N ATOM 1269 CA ILE A 76 17.491 -4.138 11.543 1.00 73.14 C ATOM 1270 C ILE A 76 18.507 -4.807 10.615 1.00 31.20 C ATOM 1271 O ILE A 76 19.627 -5.104 11.027 1.00 22.40 O ATOM 1272 CB ILE A 76 17.241 -2.664 11.219 1.00 13.45 C ATOM 1273 CG1 ILE A 76 16.125 -2.511 10.184 1.00 14.21 C ATOM 1274 CG2 ILE A 76 18.532 -1.973 10.776 1.00 1.15 C ATOM 1275 CD1 ILE A 76 15.815 -1.035 9.925 1.00 4.11 C ATOM 0 H ILE A 76 18.731 -3.721 13.179 1.00 62.43 H new ATOM 0 HA ILE A 76 16.537 -4.641 11.388 1.00 73.14 H new ATOM 0 HB ILE A 76 16.906 -2.167 12.129 1.00 13.45 H new ATOM 0 HG12 ILE A 76 16.420 -2.993 9.252 1.00 14.21 H new ATOM 0 HG13 ILE A 76 15.227 -3.019 10.535 1.00 14.21 H new ATOM 0 HG21 ILE A 76 18.326 -0.926 10.552 1.00 1.15 H new ATOM 0 HG22 ILE A 76 19.270 -2.034 11.575 1.00 1.15 H new ATOM 0 HG23 ILE A 76 18.921 -2.465 9.885 1.00 1.15 H new ATOM 0 HD11 ILE A 76 15.018 -0.955 9.185 1.00 4.11 H new ATOM 0 HD12 ILE A 76 15.497 -0.562 10.854 1.00 4.11 H new ATOM 0 HD13 ILE A 76 16.709 -0.536 9.551 1.00 4.11 H new ATOM 1287 N PHE A 77 18.079 -5.025 9.380 1.00 45.30 N ATOM 1288 CA PHE A 77 18.938 -5.653 8.391 1.00 62.24 C ATOM 1289 C PHE A 77 18.541 -5.233 6.974 1.00 62.21 C ATOM 1290 O PHE A 77 17.357 -5.188 6.645 1.00 12.41 O ATOM 1291 CB PHE A 77 18.752 -7.165 8.533 1.00 71.15 C ATOM 1292 CG PHE A 77 19.093 -7.706 9.922 1.00 23.34 C ATOM 1293 CD1 PHE A 77 18.155 -7.694 10.906 1.00 34.13 C ATOM 1294 CD2 PHE A 77 20.336 -8.200 10.174 1.00 54.33 C ATOM 1295 CE1 PHE A 77 18.471 -8.196 12.196 1.00 24.52 C ATOM 1296 CE2 PHE A 77 20.652 -8.702 11.464 1.00 44.05 C ATOM 1297 CZ PHE A 77 19.714 -8.690 12.448 1.00 53.25 C ATOM 0 H PHE A 77 17.149 -4.778 9.042 1.00 45.30 H new ATOM 0 HA PHE A 77 19.973 -5.353 8.553 1.00 62.24 H new ATOM 0 HB2 PHE A 77 17.717 -7.417 8.300 1.00 71.15 H new ATOM 0 HB3 PHE A 77 19.376 -7.668 7.795 1.00 71.15 H new ATOM 0 HD1 PHE A 77 17.169 -7.302 10.706 1.00 34.13 H new ATOM 0 HD2 PHE A 77 21.082 -8.210 9.393 1.00 54.33 H new ATOM 0 HE1 PHE A 77 17.725 -8.186 12.977 1.00 24.52 H new ATOM 0 HE2 PHE A 77 21.638 -9.094 11.664 1.00 44.05 H new ATOM 0 HZ PHE A 77 19.955 -9.072 13.429 1.00 53.25 H new ATOM 1307 N ILE A 78 19.554 -4.937 6.173 1.00 2.01 N ATOM 1308 CA ILE A 78 19.326 -4.522 4.799 1.00 32.23 C ATOM 1309 C ILE A 78 19.400 -5.745 3.883 1.00 60.21 C ATOM 1310 O ILE A 78 20.177 -6.666 4.132 1.00 41.42 O ATOM 1311 CB ILE A 78 20.293 -3.402 4.410 1.00 72.31 C ATOM 1312 CG1 ILE A 78 20.609 -2.509 5.611 1.00 41.30 C ATOM 1313 CG2 ILE A 78 19.753 -2.600 3.224 1.00 1.55 C ATOM 1314 CD1 ILE A 78 19.326 -1.971 6.247 1.00 12.12 C ATOM 0 H ILE A 78 20.535 -4.976 6.449 1.00 2.01 H new ATOM 0 HA ILE A 78 18.327 -4.101 4.689 1.00 32.23 H new ATOM 0 HB ILE A 78 21.232 -3.855 4.091 1.00 72.31 H new ATOM 0 HG12 ILE A 78 21.176 -3.075 6.350 1.00 41.30 H new ATOM 0 HG13 ILE A 78 21.239 -1.677 5.295 1.00 41.30 H new ATOM 0 HG21 ILE A 78 20.459 -1.810 2.967 1.00 1.55 H new ATOM 0 HG22 ILE A 78 19.621 -3.261 2.368 1.00 1.55 H new ATOM 0 HG23 ILE A 78 18.794 -2.157 3.491 1.00 1.55 H new ATOM 0 HD11 ILE A 78 19.579 -1.339 7.098 1.00 12.12 H new ATOM 0 HD12 ILE A 78 18.774 -1.385 5.512 1.00 12.12 H new ATOM 0 HD13 ILE A 78 18.710 -2.805 6.584 1.00 12.12 H new ATOM 1326 N PHE A 79 18.581 -5.715 2.842 1.00 61.22 N ATOM 1327 CA PHE A 79 18.544 -6.810 1.887 1.00 2.10 C ATOM 1328 C PHE A 79 18.657 -6.290 0.452 1.00 34.13 C ATOM 1329 O PHE A 79 17.977 -5.335 0.079 1.00 33.42 O ATOM 1330 CB PHE A 79 17.194 -7.508 2.059 1.00 30.45 C ATOM 1331 CG PHE A 79 16.749 -7.651 3.516 1.00 30.54 C ATOM 1332 CD1 PHE A 79 17.640 -8.049 4.464 1.00 62.34 C ATOM 1333 CD2 PHE A 79 15.462 -7.381 3.864 1.00 4.11 C ATOM 1334 CE1 PHE A 79 17.227 -8.182 5.816 1.00 62.13 C ATOM 1335 CE2 PHE A 79 15.049 -7.514 5.216 1.00 4.23 C ATOM 1336 CZ PHE A 79 15.941 -7.912 6.164 1.00 55.45 C ATOM 0 H PHE A 79 17.938 -4.950 2.639 1.00 61.22 H new ATOM 0 HA PHE A 79 19.378 -7.488 2.066 1.00 2.10 H new ATOM 0 HB2 PHE A 79 16.435 -6.949 1.511 1.00 30.45 H new ATOM 0 HB3 PHE A 79 17.248 -8.499 1.607 1.00 30.45 H new ATOM 0 HD1 PHE A 79 18.662 -8.264 4.188 1.00 62.34 H new ATOM 0 HD2 PHE A 79 14.754 -7.065 3.112 1.00 4.11 H new ATOM 0 HE1 PHE A 79 17.935 -8.498 6.568 1.00 62.13 H new ATOM 0 HE2 PHE A 79 14.027 -7.299 5.492 1.00 4.23 H new ATOM 0 HZ PHE A 79 15.627 -8.013 7.192 1.00 55.45 H new ATOM 1346 N VAL A 80 19.520 -6.941 -0.313 1.00 71.41 N ATOM 1347 CA VAL A 80 19.730 -6.557 -1.699 1.00 0.15 C ATOM 1348 C VAL A 80 19.315 -7.712 -2.612 1.00 52.33 C ATOM 1349 O VAL A 80 19.694 -8.859 -2.380 1.00 54.33 O ATOM 1350 CB VAL A 80 21.182 -6.122 -1.907 1.00 23.55 C ATOM 1351 CG1 VAL A 80 22.094 -7.335 -2.106 1.00 10.20 C ATOM 1352 CG2 VAL A 80 21.300 -5.148 -3.080 1.00 63.45 C ATOM 0 H VAL A 80 20.082 -7.732 0.000 1.00 71.41 H new ATOM 0 HA VAL A 80 19.108 -5.700 -1.957 1.00 0.15 H new ATOM 0 HB VAL A 80 21.509 -5.602 -1.007 1.00 23.55 H new ATOM 0 HG11 VAL A 80 23.120 -6.998 -2.252 1.00 10.20 H new ATOM 0 HG12 VAL A 80 22.044 -7.976 -1.226 1.00 10.20 H new ATOM 0 HG13 VAL A 80 21.768 -7.895 -2.982 1.00 10.20 H new ATOM 0 HG21 VAL A 80 22.342 -4.855 -3.206 1.00 63.45 H new ATOM 0 HG22 VAL A 80 20.946 -5.631 -3.991 1.00 63.45 H new ATOM 0 HG23 VAL A 80 20.696 -4.263 -2.880 1.00 63.45 H new ATOM 1362 N ASN A 81 18.542 -7.369 -3.632 1.00 54.40 N ATOM 1363 CA ASN A 81 18.071 -8.362 -4.582 1.00 32.42 C ATOM 1364 C ASN A 81 17.470 -9.545 -3.820 1.00 21.31 C ATOM 1365 O ASN A 81 17.791 -10.698 -4.104 1.00 31.44 O ATOM 1366 CB ASN A 81 19.220 -8.889 -5.443 1.00 24.31 C ATOM 1367 CG ASN A 81 19.446 -7.994 -6.663 1.00 25.20 C ATOM 1368 OD1 ASN A 81 19.536 -6.699 -6.374 1.00 32.44 O flip ATOM 1369 ND2 ASN A 81 19.534 -8.449 -7.792 1.00 62.05 N flip ATOM 0 H ASN A 81 18.230 -6.416 -3.821 1.00 54.40 H new ATOM 0 HA ASN A 81 17.327 -7.889 -5.224 1.00 32.42 H new ATOM 0 HB2 ASN A 81 20.132 -8.937 -4.849 1.00 24.31 H new ATOM 0 HB3 ASN A 81 18.998 -9.905 -5.769 1.00 24.31 H new ATOM 0 HD21 ASN A 81 19.456 -9.455 -7.944 1.00 62.05 H new ATOM 0 HD22 ASN A 81 19.686 -7.824 -8.583 1.00 62.05 H new ATOM 1376 N ASP A 82 16.609 -9.219 -2.867 1.00 40.23 N ATOM 1377 CA ASP A 82 15.961 -10.240 -2.062 1.00 75.04 C ATOM 1378 C ASP A 82 17.027 -11.109 -1.393 1.00 0.24 C ATOM 1379 O ASP A 82 16.795 -12.287 -1.126 1.00 2.15 O ATOM 1380 CB ASP A 82 15.085 -11.149 -2.927 1.00 71.00 C ATOM 1381 CG ASP A 82 14.003 -11.918 -2.167 1.00 32.34 C ATOM 1382 OD1 ASP A 82 14.158 -13.112 -1.868 1.00 2.32 O ATOM 1383 OD2 ASP A 82 12.950 -11.233 -1.875 1.00 55.02 O ATOM 0 H ASP A 82 16.345 -8.262 -2.634 1.00 40.23 H new ATOM 0 HA ASP A 82 15.340 -9.740 -1.319 1.00 75.04 H new ATOM 0 HB2 ASP A 82 14.606 -10.542 -3.696 1.00 71.00 H new ATOM 0 HB3 ASP A 82 15.727 -11.866 -3.440 1.00 71.00 H new ATOM 1389 N THR A 83 18.173 -10.494 -1.140 1.00 40.44 N ATOM 1390 CA THR A 83 19.276 -11.196 -0.507 1.00 30.11 C ATOM 1391 C THR A 83 19.818 -10.385 0.672 1.00 72.31 C ATOM 1392 O THR A 83 19.247 -9.359 1.039 1.00 62.32 O ATOM 1393 CB THR A 83 20.328 -11.488 -1.578 1.00 63.14 C ATOM 1394 OG1 THR A 83 20.795 -12.796 -1.259 1.00 71.23 O ATOM 1395 CG2 THR A 83 21.569 -10.605 -1.436 1.00 45.22 C ATOM 0 H THR A 83 18.361 -9.516 -1.362 1.00 40.44 H new ATOM 0 HA THR A 83 18.949 -12.146 -0.085 1.00 30.11 H new ATOM 0 HB THR A 83 19.890 -11.343 -2.565 1.00 63.14 H new ATOM 0 HG1 THR A 83 21.480 -13.066 -1.906 1.00 71.23 H new ATOM 0 HG21 THR A 83 22.284 -10.853 -2.221 1.00 45.22 H new ATOM 0 HG22 THR A 83 21.282 -9.557 -1.525 1.00 45.22 H new ATOM 0 HG23 THR A 83 22.027 -10.775 -0.461 1.00 45.22 H new ATOM 1403 N LEU A 84 20.913 -10.876 1.233 1.00 62.33 N ATOM 1404 CA LEU A 84 21.539 -10.210 2.363 1.00 75.14 C ATOM 1405 C LEU A 84 23.048 -10.125 2.127 1.00 31.24 C ATOM 1406 O LEU A 84 23.768 -11.101 2.333 1.00 73.35 O ATOM 1407 CB LEU A 84 21.158 -10.905 3.672 1.00 42.23 C ATOM 1408 CG LEU A 84 20.863 -9.985 4.858 1.00 4.31 C ATOM 1409 CD1 LEU A 84 19.633 -10.464 5.631 1.00 24.23 C ATOM 1410 CD2 LEU A 84 22.090 -9.845 5.762 1.00 61.31 C ATOM 0 H LEU A 84 21.383 -11.728 0.926 1.00 62.33 H new ATOM 0 HA LEU A 84 21.173 -9.187 2.454 1.00 75.14 H new ATOM 0 HB2 LEU A 84 20.279 -11.523 3.490 1.00 42.23 H new ATOM 0 HB3 LEU A 84 21.968 -11.578 3.952 1.00 42.23 H new ATOM 0 HG LEU A 84 20.633 -8.992 4.471 1.00 4.31 H new ATOM 0 HD11 LEU A 84 19.446 -9.792 6.469 1.00 24.23 H new ATOM 0 HD12 LEU A 84 18.767 -10.469 4.969 1.00 24.23 H new ATOM 0 HD13 LEU A 84 19.809 -11.472 6.006 1.00 24.23 H new ATOM 0 HD21 LEU A 84 21.853 -9.186 6.597 1.00 61.31 H new ATOM 0 HD22 LEU A 84 22.375 -10.826 6.143 1.00 61.31 H new ATOM 0 HD23 LEU A 84 22.917 -9.424 5.190 1.00 61.31 H new ATOM 1422 N PRO A 85 23.494 -8.918 1.689 1.00 42.32 N ATOM 1423 CA PRO A 85 24.905 -8.693 1.424 1.00 51.55 C ATOM 1424 C PRO A 85 25.692 -8.549 2.728 1.00 40.33 C ATOM 1425 O PRO A 85 25.107 -8.346 3.791 1.00 44.23 O ATOM 1426 CB PRO A 85 24.948 -7.441 0.562 1.00 4.13 C ATOM 1427 CG PRO A 85 23.609 -6.750 0.763 1.00 62.21 C ATOM 1428 CD PRO A 85 22.671 -7.739 1.435 1.00 72.11 C ATOM 0 HA PRO A 85 25.376 -9.531 0.910 1.00 51.55 H new ATOM 0 HB2 PRO A 85 25.771 -6.791 0.858 1.00 4.13 H new ATOM 0 HB3 PRO A 85 25.103 -7.694 -0.487 1.00 4.13 H new ATOM 0 HG2 PRO A 85 23.728 -5.858 1.378 1.00 62.21 H new ATOM 0 HG3 PRO A 85 23.200 -6.425 -0.194 1.00 62.21 H new ATOM 0 HD2 PRO A 85 22.265 -7.333 2.361 1.00 72.11 H new ATOM 0 HD3 PRO A 85 21.823 -7.979 0.793 1.00 72.11 H new ATOM 1436 N PRO A 86 27.041 -8.662 2.600 1.00 23.22 N ATOM 1437 CA PRO A 86 27.915 -8.547 3.756 1.00 54.23 C ATOM 1438 C PRO A 86 28.045 -7.089 4.201 1.00 14.14 C ATOM 1439 O PRO A 86 27.746 -6.173 3.436 1.00 31.14 O ATOM 1440 CB PRO A 86 29.236 -9.152 3.312 1.00 62.40 C ATOM 1441 CG PRO A 86 29.202 -9.160 1.792 1.00 31.23 C ATOM 1442 CD PRO A 86 27.769 -8.902 1.357 1.00 35.42 C ATOM 0 HA PRO A 86 27.527 -9.069 4.631 1.00 54.23 H new ATOM 0 HB2 PRO A 86 30.078 -8.565 3.681 1.00 62.40 H new ATOM 0 HB3 PRO A 86 29.355 -10.162 3.705 1.00 62.40 H new ATOM 0 HG2 PRO A 86 29.866 -8.394 1.391 1.00 31.23 H new ATOM 0 HG3 PRO A 86 29.551 -10.118 1.407 1.00 31.23 H new ATOM 0 HD2 PRO A 86 27.707 -8.043 0.689 1.00 35.42 H new ATOM 0 HD3 PRO A 86 27.359 -9.756 0.817 1.00 35.42 H new ATOM 1450 N THR A 87 28.491 -6.919 5.437 1.00 12.12 N ATOM 1451 CA THR A 87 28.664 -5.588 5.994 1.00 42.01 C ATOM 1452 C THR A 87 30.030 -5.020 5.602 1.00 13.13 C ATOM 1453 O THR A 87 30.403 -3.934 6.042 1.00 5.32 O ATOM 1454 CB THR A 87 28.454 -5.677 7.507 1.00 63.22 C ATOM 1455 OG1 THR A 87 29.000 -4.459 8.005 1.00 24.25 O ATOM 1456 CG2 THR A 87 29.315 -6.764 8.154 1.00 20.02 C ATOM 0 H THR A 87 28.738 -7.681 6.069 1.00 12.12 H new ATOM 0 HA THR A 87 27.929 -4.892 5.590 1.00 42.01 H new ATOM 0 HB THR A 87 27.403 -5.874 7.717 1.00 63.22 H new ATOM 0 HG1 THR A 87 29.181 -3.852 7.257 1.00 24.25 H new ATOM 0 HG21 THR A 87 29.128 -6.785 9.228 1.00 20.02 H new ATOM 0 HG22 THR A 87 29.063 -7.733 7.723 1.00 20.02 H new ATOM 0 HG23 THR A 87 30.368 -6.549 7.973 1.00 20.02 H new ATOM 1464 N ALA A 88 30.737 -5.780 4.780 1.00 62.05 N ATOM 1465 CA ALA A 88 32.053 -5.366 4.324 1.00 63.04 C ATOM 1466 C ALA A 88 31.995 -5.053 2.827 1.00 32.31 C ATOM 1467 O ALA A 88 32.889 -4.402 2.290 1.00 64.00 O ATOM 1468 CB ALA A 88 33.074 -6.457 4.652 1.00 61.42 C ATOM 0 H ALA A 88 30.424 -6.680 4.418 1.00 62.05 H new ATOM 0 HA ALA A 88 32.369 -4.458 4.838 1.00 63.04 H new ATOM 0 HB1 ALA A 88 34.061 -6.146 4.310 1.00 61.42 H new ATOM 0 HB2 ALA A 88 33.098 -6.621 5.729 1.00 61.42 H new ATOM 0 HB3 ALA A 88 32.791 -7.383 4.151 1.00 61.42 H new ATOM 1474 N ALA A 89 30.933 -5.532 2.196 1.00 32.31 N ATOM 1475 CA ALA A 89 30.746 -5.312 0.772 1.00 31.10 C ATOM 1476 C ALA A 89 30.728 -3.808 0.491 1.00 63.20 C ATOM 1477 O ALA A 89 30.229 -3.028 1.300 1.00 2.31 O ATOM 1478 CB ALA A 89 29.462 -6.006 0.312 1.00 24.31 C ATOM 0 H ALA A 89 30.193 -6.072 2.645 1.00 32.31 H new ATOM 0 HA ALA A 89 31.571 -5.744 0.206 1.00 31.10 H new ATOM 0 HB1 ALA A 89 29.322 -5.841 -0.756 1.00 24.31 H new ATOM 0 HB2 ALA A 89 29.537 -7.076 0.507 1.00 24.31 H new ATOM 0 HB3 ALA A 89 28.612 -5.596 0.857 1.00 24.31 H new ATOM 1484 N LEU A 90 31.279 -3.447 -0.659 1.00 2.04 N ATOM 1485 CA LEU A 90 31.333 -2.050 -1.056 1.00 61.55 C ATOM 1486 C LEU A 90 30.137 -1.735 -1.957 1.00 43.22 C ATOM 1487 O LEU A 90 29.867 -2.460 -2.913 1.00 60.21 O ATOM 1488 CB LEU A 90 32.686 -1.727 -1.694 1.00 53.12 C ATOM 1489 CG LEU A 90 33.298 -0.376 -1.319 1.00 40.20 C ATOM 1490 CD1 LEU A 90 33.461 -0.250 0.197 1.00 54.40 C ATOM 1491 CD2 LEU A 90 34.618 -0.148 -2.058 1.00 22.10 C ATOM 0 H LEU A 90 31.692 -4.097 -1.328 1.00 2.04 H new ATOM 0 HA LEU A 90 31.255 -1.402 -0.183 1.00 61.55 H new ATOM 0 HB2 LEU A 90 33.391 -2.512 -1.420 1.00 53.12 H new ATOM 0 HB3 LEU A 90 32.573 -1.764 -2.777 1.00 53.12 H new ATOM 0 HG LEU A 90 32.612 0.409 -1.636 1.00 40.20 H new ATOM 0 HD11 LEU A 90 33.898 0.719 0.437 1.00 54.40 H new ATOM 0 HD12 LEU A 90 32.486 -0.337 0.676 1.00 54.40 H new ATOM 0 HD13 LEU A 90 34.115 -1.043 0.560 1.00 54.40 H new ATOM 0 HD21 LEU A 90 35.032 0.819 -1.773 1.00 22.10 H new ATOM 0 HD22 LEU A 90 35.323 -0.936 -1.795 1.00 22.10 H new ATOM 0 HD23 LEU A 90 34.441 -0.165 -3.133 1.00 22.10 H new ATOM 1503 N MET A 91 29.453 -0.652 -1.620 1.00 50.41 N ATOM 1504 CA MET A 91 28.292 -0.231 -2.387 1.00 3.05 C ATOM 1505 C MET A 91 28.662 0.018 -3.850 1.00 64.21 C ATOM 1506 O MET A 91 27.787 0.096 -4.711 1.00 21.51 O ATOM 1507 CB MET A 91 27.717 1.051 -1.780 1.00 61.43 C ATOM 1508 CG MET A 91 27.362 0.848 -0.306 1.00 13.21 C ATOM 1509 SD MET A 91 26.279 -0.560 -0.127 1.00 3.23 S ATOM 1510 CE MET A 91 24.896 -0.016 -1.116 1.00 5.44 C ATOM 0 H MET A 91 29.680 -0.053 -0.826 1.00 50.41 H new ATOM 0 HA MET A 91 27.548 -1.027 -2.351 1.00 3.05 H new ATOM 0 HB2 MET A 91 28.442 1.860 -1.875 1.00 61.43 H new ATOM 0 HB3 MET A 91 26.828 1.353 -2.334 1.00 61.43 H new ATOM 0 HG2 MET A 91 28.270 0.695 0.278 1.00 13.21 H new ATOM 0 HG3 MET A 91 26.877 1.742 0.086 1.00 13.21 H new ATOM 0 HE1 MET A 91 23.999 -0.558 -0.816 1.00 5.44 H new ATOM 0 HE2 MET A 91 24.741 1.053 -0.968 1.00 5.44 H new ATOM 0 HE3 MET A 91 25.102 -0.211 -2.168 1.00 5.44 H new ATOM 1520 N SER A 92 29.961 0.136 -4.087 1.00 74.32 N ATOM 1521 CA SER A 92 30.457 0.374 -5.432 1.00 22.02 C ATOM 1522 C SER A 92 30.353 -0.906 -6.263 1.00 33.42 C ATOM 1523 O SER A 92 29.839 -0.885 -7.380 1.00 73.41 O ATOM 1524 CB SER A 92 31.903 0.872 -5.404 1.00 44.54 C ATOM 1525 OG SER A 92 32.784 -0.078 -4.812 1.00 5.24 O ATOM 0 H SER A 92 30.684 0.071 -3.371 1.00 74.32 H new ATOM 0 HA SER A 92 29.842 1.148 -5.891 1.00 22.02 H new ATOM 0 HB2 SER A 92 32.232 1.087 -6.421 1.00 44.54 H new ATOM 0 HB3 SER A 92 31.953 1.808 -4.848 1.00 44.54 H new ATOM 0 HG SER A 92 33.702 0.102 -5.102 1.00 5.24 H new ATOM 1531 N ALA A 93 30.849 -1.991 -5.685 1.00 54.21 N ATOM 1532 CA ALA A 93 30.818 -3.278 -6.358 1.00 75.14 C ATOM 1533 C ALA A 93 29.382 -3.808 -6.371 1.00 41.41 C ATOM 1534 O ALA A 93 28.984 -4.509 -7.300 1.00 14.22 O ATOM 1535 CB ALA A 93 31.787 -4.239 -5.668 1.00 24.01 C ATOM 0 H ALA A 93 31.274 -2.005 -4.758 1.00 54.21 H new ATOM 0 HA ALA A 93 31.142 -3.177 -7.394 1.00 75.14 H new ATOM 0 HB1 ALA A 93 31.763 -5.205 -6.173 1.00 24.01 H new ATOM 0 HB2 ALA A 93 32.797 -3.831 -5.712 1.00 24.01 H new ATOM 0 HB3 ALA A 93 31.492 -4.367 -4.626 1.00 24.01 H new ATOM 1541 N ILE A 94 28.645 -3.452 -5.329 1.00 52.45 N ATOM 1542 CA ILE A 94 27.262 -3.882 -5.209 1.00 62.21 C ATOM 1543 C ILE A 94 26.424 -3.200 -6.292 1.00 50.20 C ATOM 1544 O ILE A 94 25.836 -3.869 -7.140 1.00 54.21 O ATOM 1545 CB ILE A 94 26.747 -3.640 -3.789 1.00 3.21 C ATOM 1546 CG1 ILE A 94 27.423 -4.583 -2.792 1.00 62.51 C ATOM 1547 CG2 ILE A 94 25.222 -3.745 -3.733 1.00 52.55 C ATOM 1548 CD1 ILE A 94 26.902 -6.013 -2.950 1.00 71.25 C ATOM 0 H ILE A 94 28.979 -2.871 -4.560 1.00 52.45 H new ATOM 0 HA ILE A 94 27.182 -4.957 -5.373 1.00 62.21 H new ATOM 0 HB ILE A 94 27.011 -2.623 -3.500 1.00 3.21 H new ATOM 0 HG12 ILE A 94 28.502 -4.566 -2.945 1.00 62.51 H new ATOM 0 HG13 ILE A 94 27.239 -4.235 -1.775 1.00 62.51 H new ATOM 0 HG21 ILE A 94 24.882 -3.569 -2.712 1.00 52.55 H new ATOM 0 HG22 ILE A 94 24.781 -3.000 -4.396 1.00 52.55 H new ATOM 0 HG23 ILE A 94 24.914 -4.741 -4.051 1.00 52.55 H new ATOM 0 HD11 ILE A 94 27.399 -6.663 -2.230 1.00 71.25 H new ATOM 0 HD12 ILE A 94 25.827 -6.030 -2.773 1.00 71.25 H new ATOM 0 HD13 ILE A 94 27.109 -6.366 -3.960 1.00 71.25 H new ATOM 1560 N TYR A 95 26.396 -1.877 -6.228 1.00 44.20 N ATOM 1561 CA TYR A 95 25.640 -1.096 -7.193 1.00 30.54 C ATOM 1562 C TYR A 95 26.124 -1.369 -8.618 1.00 41.53 C ATOM 1563 O TYR A 95 25.434 -1.045 -9.584 1.00 63.51 O ATOM 1564 CB TYR A 95 25.904 0.371 -6.848 1.00 62.42 C ATOM 1565 CG TYR A 95 25.404 1.358 -7.905 1.00 34.45 C ATOM 1566 CD1 TYR A 95 26.030 1.432 -9.132 1.00 22.41 C ATOM 1567 CD2 TYR A 95 24.325 2.174 -7.630 1.00 41.10 C ATOM 1568 CE1 TYR A 95 25.559 2.361 -10.126 1.00 71.41 C ATOM 1569 CE2 TYR A 95 23.854 3.103 -8.624 1.00 51.12 C ATOM 1570 CZ TYR A 95 24.494 3.151 -9.823 1.00 60.42 C ATOM 1571 OH TYR A 95 24.049 4.028 -10.762 1.00 70.01 O ATOM 0 H TYR A 95 26.885 -1.326 -5.523 1.00 44.20 H new ATOM 0 HA TYR A 95 24.581 -1.351 -7.149 1.00 30.54 H new ATOM 0 HB2 TYR A 95 25.426 0.601 -5.896 1.00 62.42 H new ATOM 0 HB3 TYR A 95 26.976 0.514 -6.710 1.00 62.42 H new ATOM 0 HD1 TYR A 95 26.874 0.793 -9.347 1.00 22.41 H new ATOM 0 HD2 TYR A 95 23.834 2.116 -6.670 1.00 41.10 H new ATOM 0 HE1 TYR A 95 26.040 2.429 -11.090 1.00 71.41 H new ATOM 0 HE2 TYR A 95 23.011 3.747 -8.422 1.00 51.12 H new ATOM 0 HH TYR A 95 23.072 3.979 -10.818 1.00 70.01 H new ATOM 1581 N GLN A 96 27.307 -1.960 -8.705 1.00 15.21 N ATOM 1582 CA GLN A 96 27.891 -2.279 -9.996 1.00 51.04 C ATOM 1583 C GLN A 96 27.188 -3.490 -10.612 1.00 61.43 C ATOM 1584 O GLN A 96 27.002 -3.553 -11.826 1.00 72.45 O ATOM 1585 CB GLN A 96 29.396 -2.523 -9.872 1.00 21.22 C ATOM 1586 CG GLN A 96 30.190 -1.295 -10.321 1.00 10.33 C ATOM 1587 CD GLN A 96 31.536 -1.218 -9.598 1.00 44.11 C ATOM 1588 OE1 GLN A 96 32.266 -2.189 -9.486 1.00 21.33 O ATOM 1589 NE2 GLN A 96 31.824 -0.012 -9.116 1.00 72.11 N ATOM 0 H GLN A 96 27.877 -2.226 -7.902 1.00 15.21 H new ATOM 0 HA GLN A 96 27.748 -1.425 -10.658 1.00 51.04 H new ATOM 0 HB2 GLN A 96 29.645 -2.763 -8.838 1.00 21.22 H new ATOM 0 HB3 GLN A 96 29.679 -3.385 -10.477 1.00 21.22 H new ATOM 0 HG2 GLN A 96 30.353 -1.337 -11.398 1.00 10.33 H new ATOM 0 HG3 GLN A 96 29.614 -0.392 -10.121 1.00 10.33 H new ATOM 0 HE21 GLN A 96 31.168 0.759 -9.245 1.00 72.11 H new ATOM 0 HE22 GLN A 96 32.701 0.142 -8.618 1.00 72.11 H new ATOM 1598 N GLU A 97 26.817 -4.422 -9.747 1.00 30.32 N ATOM 1599 CA GLU A 97 26.139 -5.628 -10.191 1.00 33.35 C ATOM 1600 C GLU A 97 24.683 -5.622 -9.721 1.00 14.14 C ATOM 1601 O GLU A 97 23.930 -6.552 -10.007 1.00 41.32 O ATOM 1602 CB GLU A 97 26.868 -6.880 -9.699 1.00 30.13 C ATOM 1603 CG GLU A 97 28.126 -7.144 -10.529 1.00 10.52 C ATOM 1604 CD GLU A 97 28.506 -8.625 -10.493 1.00 60.21 C ATOM 1605 OE1 GLU A 97 28.939 -9.129 -9.446 1.00 62.01 O ATOM 1606 OE2 GLU A 97 28.336 -9.258 -11.604 1.00 64.51 O ATOM 0 H GLU A 97 26.973 -4.366 -8.741 1.00 30.32 H new ATOM 0 HA GLU A 97 26.149 -5.646 -11.281 1.00 33.35 H new ATOM 0 HB2 GLU A 97 27.139 -6.759 -8.650 1.00 30.13 H new ATOM 0 HB3 GLU A 97 26.201 -7.740 -9.759 1.00 30.13 H new ATOM 0 HG2 GLU A 97 27.958 -6.833 -11.560 1.00 10.52 H new ATOM 0 HG3 GLU A 97 28.951 -6.544 -10.146 1.00 10.52 H new ATOM 1614 N HIS A 98 24.329 -4.563 -9.007 1.00 23.12 N ATOM 1615 CA HIS A 98 22.977 -4.423 -8.494 1.00 73.45 C ATOM 1616 C HIS A 98 22.314 -3.196 -9.123 1.00 2.22 C ATOM 1617 O HIS A 98 21.335 -2.674 -8.591 1.00 44.33 O ATOM 1618 CB HIS A 98 22.977 -4.380 -6.965 1.00 40.51 C ATOM 1619 CG HIS A 98 23.292 -5.705 -6.313 1.00 0.42 C ATOM 1620 ND1 HIS A 98 22.332 -6.476 -5.680 1.00 45.24 N ATOM 1621 CD2 HIS A 98 24.468 -6.386 -6.203 1.00 22.45 C ATOM 1622 CE1 HIS A 98 22.916 -7.570 -5.213 1.00 42.44 C ATOM 1623 NE2 HIS A 98 24.240 -7.512 -5.538 1.00 31.15 N ATOM 0 H HIS A 98 24.956 -3.794 -8.772 1.00 23.12 H new ATOM 0 HA HIS A 98 22.386 -5.295 -8.774 1.00 73.45 H new ATOM 0 HB2 HIS A 98 23.706 -3.641 -6.633 1.00 40.51 H new ATOM 0 HB3 HIS A 98 22.000 -4.041 -6.621 1.00 40.51 H new ATOM 0 HD1 HIS A 98 21.343 -6.242 -5.589 1.00 45.24 H new ATOM 0 HD2 HIS A 98 25.423 -6.064 -6.591 1.00 22.45 H new ATOM 0 HE1 HIS A 98 22.430 -8.367 -4.671 1.00 42.44 H new ATOM 1631 N LYS A 99 22.874 -2.770 -10.246 1.00 25.55 N ATOM 1632 CA LYS A 99 22.350 -1.614 -10.952 1.00 44.01 C ATOM 1633 C LYS A 99 21.282 -2.071 -11.948 1.00 5.12 C ATOM 1634 O LYS A 99 21.526 -2.962 -12.760 1.00 24.34 O ATOM 1635 CB LYS A 99 23.488 -0.817 -11.593 1.00 42.12 C ATOM 1636 CG LYS A 99 22.995 -0.046 -12.820 1.00 33.45 C ATOM 1637 CD LYS A 99 23.322 -0.801 -14.110 1.00 20.14 C ATOM 1638 CE LYS A 99 24.754 -0.513 -14.565 1.00 52.32 C ATOM 1639 NZ LYS A 99 24.875 -0.681 -16.031 1.00 1.43 N ATOM 0 H LYS A 99 23.686 -3.205 -10.684 1.00 25.55 H new ATOM 0 HA LYS A 99 21.865 -0.930 -10.256 1.00 44.01 H new ATOM 0 HB2 LYS A 99 23.904 -0.121 -10.865 1.00 42.12 H new ATOM 0 HB3 LYS A 99 24.292 -1.493 -11.883 1.00 42.12 H new ATOM 0 HG2 LYS A 99 21.918 0.109 -12.748 1.00 33.45 H new ATOM 0 HG3 LYS A 99 23.458 0.940 -12.844 1.00 33.45 H new ATOM 0 HD2 LYS A 99 23.195 -1.872 -13.951 1.00 20.14 H new ATOM 0 HD3 LYS A 99 22.622 -0.510 -14.893 1.00 20.14 H new ATOM 0 HE2 LYS A 99 25.034 0.503 -14.285 1.00 52.32 H new ATOM 0 HE3 LYS A 99 25.446 -1.186 -14.057 1.00 52.32 H new ATOM 0 HZ1 LYS A 99 25.853 -0.482 -16.324 1.00 1.43 H new ATOM 0 HZ2 LYS A 99 24.628 -1.657 -16.290 1.00 1.43 H new ATOM 0 HZ3 LYS A 99 24.229 -0.022 -16.510 1.00 1.43 H new ATOM 1652 N ASP A 100 20.122 -1.440 -11.853 1.00 14.51 N ATOM 1653 CA ASP A 100 19.015 -1.770 -12.735 1.00 65.12 C ATOM 1654 C ASP A 100 18.997 -0.792 -13.912 1.00 23.03 C ATOM 1655 O ASP A 100 19.839 0.102 -13.994 1.00 34.44 O ATOM 1656 CB ASP A 100 17.676 -1.656 -12.005 1.00 73.43 C ATOM 1657 CG ASP A 100 17.436 -2.713 -10.925 1.00 23.01 C ATOM 1658 OD1 ASP A 100 16.376 -3.354 -10.882 1.00 54.13 O ATOM 1659 OD2 ASP A 100 18.408 -2.870 -10.091 1.00 12.43 O ATOM 0 H ASP A 100 19.924 -0.701 -11.178 1.00 14.51 H new ATOM 0 HA ASP A 100 19.152 -2.795 -13.079 1.00 65.12 H new ATOM 0 HB2 ASP A 100 17.612 -0.669 -11.547 1.00 73.43 H new ATOM 0 HB3 ASP A 100 16.873 -1.719 -12.739 1.00 73.43 H new ATOM 1665 N LYS A 101 18.029 -0.994 -14.793 1.00 62.42 N ATOM 1666 CA LYS A 101 17.890 -0.142 -15.961 1.00 44.44 C ATOM 1667 C LYS A 101 17.534 1.277 -15.512 1.00 74.14 C ATOM 1668 O LYS A 101 17.911 2.251 -16.162 1.00 21.11 O ATOM 1669 CB LYS A 101 16.889 -0.744 -16.949 1.00 21.21 C ATOM 1670 CG LYS A 101 17.547 -1.829 -17.804 1.00 24.23 C ATOM 1671 CD LYS A 101 17.011 -1.799 -19.236 1.00 73.42 C ATOM 1672 CE LYS A 101 17.886 -0.920 -20.132 1.00 22.45 C ATOM 1673 NZ LYS A 101 17.464 0.495 -20.041 1.00 15.11 N ATOM 0 H LYS A 101 17.333 -1.736 -14.721 1.00 62.42 H new ATOM 0 HA LYS A 101 18.835 -0.079 -16.501 1.00 44.44 H new ATOM 0 HB2 LYS A 101 16.045 -1.167 -16.404 1.00 21.21 H new ATOM 0 HB3 LYS A 101 16.492 0.040 -17.593 1.00 21.21 H new ATOM 0 HG2 LYS A 101 18.627 -1.684 -17.813 1.00 24.23 H new ATOM 0 HG3 LYS A 101 17.360 -2.808 -17.363 1.00 24.23 H new ATOM 0 HD2 LYS A 101 16.977 -2.812 -19.636 1.00 73.42 H new ATOM 0 HD3 LYS A 101 15.989 -1.421 -19.237 1.00 73.42 H new ATOM 0 HE2 LYS A 101 18.931 -1.014 -19.835 1.00 22.45 H new ATOM 0 HE3 LYS A 101 17.816 -1.261 -21.165 1.00 22.45 H new ATOM 0 HZ1 LYS A 101 17.896 1.037 -20.816 1.00 15.11 H new ATOM 0 HZ2 LYS A 101 16.428 0.554 -20.113 1.00 15.11 H new ATOM 0 HZ3 LYS A 101 17.770 0.891 -19.129 1.00 15.11 H new ATOM 1686 N ASP A 102 16.810 1.348 -14.405 1.00 3.24 N ATOM 1687 CA ASP A 102 16.398 2.631 -13.861 1.00 43.32 C ATOM 1688 C ASP A 102 17.638 3.425 -13.444 1.00 12.31 C ATOM 1689 O ASP A 102 17.576 4.644 -13.290 1.00 51.11 O ATOM 1690 CB ASP A 102 15.516 2.448 -12.625 1.00 11.01 C ATOM 1691 CG ASP A 102 14.143 1.831 -12.896 1.00 74.44 C ATOM 1692 OD1 ASP A 102 14.020 0.852 -13.648 1.00 54.11 O ATOM 1693 OD2 ASP A 102 13.158 2.403 -12.291 1.00 0.41 O ATOM 0 H ASP A 102 16.498 0.538 -13.870 1.00 3.24 H new ATOM 0 HA ASP A 102 15.834 3.158 -14.631 1.00 43.32 H new ATOM 0 HB2 ASP A 102 16.045 1.819 -11.909 1.00 11.01 H new ATOM 0 HB3 ASP A 102 15.374 3.419 -12.152 1.00 11.01 H new ATOM 1699 N GLY A 103 18.735 2.702 -13.272 1.00 75.05 N ATOM 1700 CA GLY A 103 19.987 3.324 -12.876 1.00 34.41 C ATOM 1701 C GLY A 103 20.098 3.409 -11.352 1.00 51.44 C ATOM 1702 O GLY A 103 21.143 3.784 -10.823 1.00 11.02 O ATOM 0 H GLY A 103 18.783 1.691 -13.400 1.00 75.05 H new ATOM 0 HA2 GLY A 103 20.824 2.750 -13.274 1.00 34.41 H new ATOM 0 HA3 GLY A 103 20.053 4.324 -13.306 1.00 34.41 H new ATOM 1706 N PHE A 104 19.006 3.056 -10.690 1.00 71.04 N ATOM 1707 CA PHE A 104 18.968 3.088 -9.238 1.00 53.43 C ATOM 1708 C PHE A 104 19.243 1.702 -8.651 1.00 44.54 C ATOM 1709 O PHE A 104 19.420 0.735 -9.391 1.00 14.33 O ATOM 1710 CB PHE A 104 17.558 3.527 -8.838 1.00 11.53 C ATOM 1711 CG PHE A 104 17.453 5.004 -8.450 1.00 33.22 C ATOM 1712 CD1 PHE A 104 17.877 5.417 -7.226 1.00 1.23 C ATOM 1713 CD2 PHE A 104 16.935 5.903 -9.329 1.00 72.33 C ATOM 1714 CE1 PHE A 104 17.780 6.787 -6.866 1.00 14.43 C ATOM 1715 CE2 PHE A 104 16.837 7.273 -8.969 1.00 62.24 C ATOM 1716 CZ PHE A 104 17.262 7.686 -7.745 1.00 53.32 C ATOM 0 H PHE A 104 18.141 2.746 -11.133 1.00 71.04 H new ATOM 0 HA PHE A 104 19.730 3.770 -8.861 1.00 53.43 H new ATOM 0 HB2 PHE A 104 16.878 3.330 -9.667 1.00 11.53 H new ATOM 0 HB3 PHE A 104 17.223 2.917 -7.999 1.00 11.53 H new ATOM 0 HD1 PHE A 104 18.288 4.703 -6.528 1.00 1.23 H new ATOM 0 HD2 PHE A 104 16.598 5.575 -10.301 1.00 72.33 H new ATOM 0 HE1 PHE A 104 18.118 7.115 -5.894 1.00 14.43 H new ATOM 0 HE2 PHE A 104 16.425 7.987 -9.667 1.00 62.24 H new ATOM 0 HZ PHE A 104 17.188 8.728 -7.471 1.00 53.32 H new ATOM 1726 N LEU A 105 19.272 1.650 -7.328 1.00 1.41 N ATOM 1727 CA LEU A 105 19.523 0.399 -6.633 1.00 43.14 C ATOM 1728 C LEU A 105 18.219 -0.105 -6.012 1.00 23.10 C ATOM 1729 O LEU A 105 17.316 0.682 -5.732 1.00 22.42 O ATOM 1730 CB LEU A 105 20.661 0.565 -5.624 1.00 44.53 C ATOM 1731 CG LEU A 105 22.010 -0.032 -6.030 1.00 44.53 C ATOM 1732 CD1 LEU A 105 22.101 -1.505 -5.628 1.00 42.21 C ATOM 1733 CD2 LEU A 105 22.273 0.172 -7.524 1.00 11.12 C ATOM 0 H LEU A 105 19.126 2.455 -6.718 1.00 1.41 H new ATOM 0 HA LEU A 105 19.859 -0.365 -7.334 1.00 43.14 H new ATOM 0 HB2 LEU A 105 20.799 1.629 -5.434 1.00 44.53 H new ATOM 0 HB3 LEU A 105 20.354 0.111 -4.682 1.00 44.53 H new ATOM 0 HG LEU A 105 22.794 0.498 -5.490 1.00 44.53 H new ATOM 0 HD11 LEU A 105 23.070 -1.905 -5.928 1.00 42.21 H new ATOM 0 HD12 LEU A 105 21.990 -1.595 -4.547 1.00 42.21 H new ATOM 0 HD13 LEU A 105 21.308 -2.067 -6.122 1.00 42.21 H new ATOM 0 HD21 LEU A 105 23.238 -0.262 -7.786 1.00 11.12 H new ATOM 0 HD22 LEU A 105 21.487 -0.315 -8.102 1.00 11.12 H new ATOM 0 HD23 LEU A 105 22.281 1.238 -7.750 1.00 11.12 H new ATOM 1745 N TYR A 106 18.162 -1.414 -5.815 1.00 4.03 N ATOM 1746 CA TYR A 106 16.984 -2.032 -5.232 1.00 31.44 C ATOM 1747 C TYR A 106 17.337 -2.781 -3.945 1.00 3.23 C ATOM 1748 O TYR A 106 17.901 -3.873 -3.992 1.00 41.13 O ATOM 1749 CB TYR A 106 16.478 -3.037 -6.269 1.00 12.32 C ATOM 1750 CG TYR A 106 15.555 -2.428 -7.326 1.00 42.53 C ATOM 1751 CD1 TYR A 106 15.988 -1.361 -8.088 1.00 32.02 C ATOM 1752 CD2 TYR A 106 14.290 -2.945 -7.519 1.00 10.52 C ATOM 1753 CE1 TYR A 106 15.119 -0.788 -9.083 1.00 44.41 C ATOM 1754 CE2 TYR A 106 13.422 -2.371 -8.514 1.00 75.11 C ATOM 1755 CZ TYR A 106 13.879 -1.321 -9.247 1.00 41.11 C ATOM 1756 OH TYR A 106 13.059 -0.779 -10.187 1.00 71.41 O ATOM 0 H TYR A 106 18.913 -2.063 -6.049 1.00 4.03 H new ATOM 0 HA TYR A 106 16.239 -1.277 -4.982 1.00 31.44 H new ATOM 0 HB2 TYR A 106 17.334 -3.492 -6.767 1.00 12.32 H new ATOM 0 HB3 TYR A 106 15.946 -3.838 -5.755 1.00 12.32 H new ATOM 0 HD1 TYR A 106 16.978 -0.956 -7.938 1.00 32.02 H new ATOM 0 HD2 TYR A 106 13.951 -3.780 -6.924 1.00 10.52 H new ATOM 0 HE1 TYR A 106 15.445 0.047 -9.686 1.00 44.41 H new ATOM 0 HE2 TYR A 106 12.430 -2.766 -8.675 1.00 75.11 H new ATOM 0 HH TYR A 106 12.206 -1.261 -10.194 1.00 71.41 H new ATOM 1766 N VAL A 107 16.991 -2.163 -2.825 1.00 22.22 N ATOM 1767 CA VAL A 107 17.265 -2.757 -1.527 1.00 72.22 C ATOM 1768 C VAL A 107 16.027 -2.623 -0.638 1.00 53.14 C ATOM 1769 O VAL A 107 15.129 -1.836 -0.934 1.00 35.23 O ATOM 1770 CB VAL A 107 18.513 -2.121 -0.913 1.00 44.22 C ATOM 1771 CG1 VAL A 107 18.646 -0.656 -1.334 1.00 53.12 C ATOM 1772 CG2 VAL A 107 18.504 -2.255 0.611 1.00 51.31 C ATOM 0 H VAL A 107 16.523 -1.257 -2.789 1.00 22.22 H new ATOM 0 HA VAL A 107 17.477 -3.821 -1.631 1.00 72.22 H new ATOM 0 HB VAL A 107 19.383 -2.658 -1.291 1.00 44.22 H new ATOM 0 HG11 VAL A 107 19.541 -0.228 -0.884 1.00 53.12 H new ATOM 0 HG12 VAL A 107 18.721 -0.595 -2.420 1.00 53.12 H new ATOM 0 HG13 VAL A 107 17.770 -0.100 -0.999 1.00 53.12 H new ATOM 0 HG21 VAL A 107 19.402 -1.795 1.022 1.00 51.31 H new ATOM 0 HG22 VAL A 107 17.623 -1.756 1.015 1.00 51.31 H new ATOM 0 HG23 VAL A 107 18.480 -3.310 0.883 1.00 51.31 H new ATOM 1782 N THR A 108 16.019 -3.403 0.432 1.00 31.14 N ATOM 1783 CA THR A 108 14.906 -3.381 1.366 1.00 32.22 C ATOM 1784 C THR A 108 15.369 -3.817 2.758 1.00 74.22 C ATOM 1785 O THR A 108 15.828 -4.944 2.938 1.00 5.34 O ATOM 1786 CB THR A 108 13.791 -4.259 0.794 1.00 62.12 C ATOM 1787 OG1 THR A 108 13.404 -3.592 -0.404 1.00 45.24 O ATOM 1788 CG2 THR A 108 12.528 -4.238 1.656 1.00 13.15 C ATOM 0 H THR A 108 16.766 -4.055 0.674 1.00 31.14 H new ATOM 0 HA THR A 108 14.514 -2.372 1.490 1.00 32.22 H new ATOM 0 HB THR A 108 14.149 -5.284 0.700 1.00 62.12 H new ATOM 0 HG1 THR A 108 13.807 -2.699 -0.426 1.00 45.24 H new ATOM 0 HG21 THR A 108 11.769 -4.877 1.205 1.00 13.15 H new ATOM 0 HG22 THR A 108 12.763 -4.604 2.655 1.00 13.15 H new ATOM 0 HG23 THR A 108 12.150 -3.218 1.723 1.00 13.15 H new ATOM 1796 N TYR A 109 15.231 -2.902 3.706 1.00 50.02 N ATOM 1797 CA TYR A 109 15.629 -3.178 5.076 1.00 42.33 C ATOM 1798 C TYR A 109 14.413 -3.499 5.946 1.00 33.13 C ATOM 1799 O TYR A 109 13.298 -3.080 5.640 1.00 75.21 O ATOM 1800 CB TYR A 109 16.285 -1.895 5.590 1.00 1.15 C ATOM 1801 CG TYR A 109 15.337 -0.696 5.660 1.00 43.14 C ATOM 1802 CD1 TYR A 109 14.406 -0.610 6.674 1.00 1.15 C ATOM 1803 CD2 TYR A 109 15.414 0.300 4.707 1.00 75.12 C ATOM 1804 CE1 TYR A 109 13.514 0.519 6.739 1.00 20.45 C ATOM 1805 CE2 TYR A 109 14.521 1.428 4.772 1.00 45.42 C ATOM 1806 CZ TYR A 109 13.616 1.482 5.785 1.00 53.01 C ATOM 1807 OH TYR A 109 12.773 2.548 5.846 1.00 22.13 O ATOM 0 H TYR A 109 14.849 -1.969 3.553 1.00 50.02 H new ATOM 0 HA TYR A 109 16.300 -4.036 5.116 1.00 42.33 H new ATOM 0 HB2 TYR A 109 16.693 -2.081 6.583 1.00 1.15 H new ATOM 0 HB3 TYR A 109 17.125 -1.644 4.942 1.00 1.15 H new ATOM 0 HD1 TYR A 109 14.346 -1.389 7.419 1.00 1.15 H new ATOM 0 HD2 TYR A 109 16.143 0.233 3.913 1.00 75.12 H new ATOM 0 HE1 TYR A 109 12.781 0.599 7.528 1.00 20.45 H new ATOM 0 HE2 TYR A 109 14.569 2.214 4.032 1.00 45.42 H new ATOM 0 HH TYR A 109 12.563 2.746 6.783 1.00 22.13 H new ATOM 1817 N SER A 110 14.669 -4.240 7.014 1.00 34.04 N ATOM 1818 CA SER A 110 13.608 -4.622 7.931 1.00 24.55 C ATOM 1819 C SER A 110 14.190 -4.893 9.321 1.00 42.25 C ATOM 1820 O SER A 110 15.407 -4.960 9.485 1.00 3.34 O ATOM 1821 CB SER A 110 12.857 -5.854 7.422 1.00 41.11 C ATOM 1822 OG SER A 110 11.559 -5.964 8.000 1.00 60.25 O ATOM 0 H SER A 110 15.595 -4.586 7.265 1.00 34.04 H new ATOM 0 HA SER A 110 12.898 -3.797 7.995 1.00 24.55 H new ATOM 0 HB2 SER A 110 12.768 -5.801 6.337 1.00 41.11 H new ATOM 0 HB3 SER A 110 13.433 -6.750 7.651 1.00 41.11 H new ATOM 0 HG SER A 110 11.111 -6.762 7.649 1.00 60.25 H new ATOM 1828 N GLY A 111 13.293 -5.041 10.284 1.00 1.11 N ATOM 1829 CA GLY A 111 13.702 -5.302 11.654 1.00 61.53 C ATOM 1830 C GLY A 111 14.027 -6.784 11.856 1.00 74.04 C ATOM 1831 O GLY A 111 14.436 -7.191 12.942 1.00 74.21 O ATOM 0 H GLY A 111 12.284 -4.985 10.143 1.00 1.11 H new ATOM 0 HA2 GLY A 111 14.576 -4.698 11.898 1.00 61.53 H new ATOM 0 HA3 GLY A 111 12.907 -5.004 12.338 1.00 61.53 H new ATOM 1835 N GLU A 112 13.832 -7.550 10.792 1.00 10.21 N ATOM 1836 CA GLU A 112 14.099 -8.977 10.839 1.00 72.41 C ATOM 1837 C GLU A 112 15.384 -9.303 10.075 1.00 52.44 C ATOM 1838 O GLU A 112 15.895 -8.468 9.330 1.00 43.12 O ATOM 1839 CB GLU A 112 12.916 -9.775 10.286 1.00 13.25 C ATOM 1840 CG GLU A 112 13.057 -11.263 10.613 1.00 11.22 C ATOM 1841 CD GLU A 112 13.440 -11.468 12.080 1.00 23.11 C ATOM 1842 OE1 GLU A 112 14.487 -12.067 12.369 1.00 31.04 O ATOM 1843 OE2 GLU A 112 12.607 -10.979 12.935 1.00 43.20 O ATOM 0 H GLU A 112 13.492 -7.209 9.893 1.00 10.21 H new ATOM 0 HA GLU A 112 14.236 -9.266 11.881 1.00 72.41 H new ATOM 0 HB2 GLU A 112 11.986 -9.393 10.708 1.00 13.25 H new ATOM 0 HB3 GLU A 112 12.855 -9.641 9.206 1.00 13.25 H new ATOM 0 HG2 GLU A 112 12.118 -11.776 10.404 1.00 11.22 H new ATOM 0 HG3 GLU A 112 13.815 -11.710 9.970 1.00 11.22 H new ATOM 1851 N ASN A 113 15.868 -10.517 10.285 1.00 25.53 N ATOM 1852 CA ASN A 113 17.084 -10.963 9.625 1.00 31.25 C ATOM 1853 C ASN A 113 16.720 -11.915 8.484 1.00 12.30 C ATOM 1854 O ASN A 113 17.212 -13.041 8.429 1.00 13.20 O ATOM 1855 CB ASN A 113 17.994 -11.717 10.597 1.00 34.15 C ATOM 1856 CG ASN A 113 19.371 -11.964 9.980 1.00 62.25 C ATOM 1857 OD1 ASN A 113 20.378 -11.449 10.679 1.00 53.35 O flip ATOM 1858 ND2 ASN A 113 19.511 -12.582 8.937 1.00 22.32 N flip ATOM 0 H ASN A 113 15.441 -11.207 10.903 1.00 25.53 H new ATOM 0 HA ASN A 113 17.607 -10.083 9.251 1.00 31.25 H new ATOM 0 HB2 ASN A 113 18.102 -11.144 11.518 1.00 34.15 H new ATOM 0 HB3 ASN A 113 17.536 -12.669 10.865 1.00 34.15 H new ATOM 0 HD21 ASN A 113 18.695 -12.952 8.450 1.00 22.32 H new ATOM 0 HD22 ASN A 113 20.444 -12.729 8.553 1.00 22.32 H new ATOM 1865 N THR A 114 15.861 -11.427 7.601 1.00 70.01 N ATOM 1866 CA THR A 114 15.425 -12.220 6.464 1.00 63.01 C ATOM 1867 C THR A 114 16.028 -11.671 5.169 1.00 73.40 C ATOM 1868 O THR A 114 16.629 -10.598 5.166 1.00 72.34 O ATOM 1869 CB THR A 114 13.895 -12.242 6.461 1.00 5.40 C ATOM 1870 OG1 THR A 114 13.529 -10.917 6.837 1.00 11.00 O ATOM 1871 CG2 THR A 114 13.320 -13.118 7.575 1.00 21.04 C ATOM 0 H THR A 114 15.455 -10.492 7.650 1.00 70.01 H new ATOM 0 HA THR A 114 15.778 -13.248 6.540 1.00 63.01 H new ATOM 0 HB THR A 114 13.539 -12.602 5.496 1.00 5.40 H new ATOM 0 HG1 THR A 114 12.552 -10.841 6.859 1.00 11.00 H new ATOM 0 HG21 THR A 114 12.231 -13.099 7.528 1.00 21.04 H new ATOM 0 HG22 THR A 114 13.670 -14.143 7.450 1.00 21.04 H new ATOM 0 HG23 THR A 114 13.648 -12.738 8.543 1.00 21.04 H new