USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN :FLIP amide:sc= -1.73 F(o=-12!,f=-6.6) USER MOD Set 1.2: A 98 HIS : no HE2:sc= -4.89! C(o=-6.6!,f=-8.4!) USER MOD Set 1.3: A 106 TYR OH : rot 0:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 33 CYS SG : rot -135:sc= -2.76! USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= -0.497 (180deg=-0.653) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -98:sc= 1.19 USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= -0.083 (180deg=-0.67) USER MOD Single : A 48 LYS NZ :NH3+ 130:sc= -1.23 (180deg=-2.27!) USER MOD Single : A 49 TYR OH : rot 25:sc= -1.41 USER MOD Single : A 56 THR OG1 : rot 118:sc= 0.185 USER MOD Single : A 59 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.263 (180deg=-1.47) USER MOD Single : A 74 LYS NZ :NH3+ 142:sc= -0.48 (180deg=-1.79!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -50:sc= -1.04! USER MOD Single : A 91 MET CE :methyl -157:sc= -0.135 (180deg=-0.866) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00216 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.756 X(o=-0.76,f=-1.2) USER MOD Single : A 99 LYS NZ :NH3+ -117:sc= -1.54! (180deg=-4.11!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -37:sc= 0.169! USER MOD Single : A 109 TYR OH : rot 30:sc= -0.533 USER MOD Single : A 110 SER OG : rot 34:sc= -0.156 USER MOD Single : A 113 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.55) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.388 7.653 -12.675 1.00 74.02 N ATOM 225 CA ARG A 14 13.361 7.123 -11.736 1.00 20.52 C ATOM 226 C ARG A 14 14.774 7.248 -12.308 1.00 63.14 C ATOM 227 O ARG A 14 15.689 7.698 -11.620 1.00 61.50 O ATOM 228 CB ARG A 14 13.076 5.653 -11.418 1.00 14.54 C ATOM 229 CG ARG A 14 11.693 5.489 -10.783 1.00 22.42 C ATOM 230 CD ARG A 14 11.187 4.053 -10.937 1.00 53.13 C ATOM 231 NE ARG A 14 11.767 3.195 -9.880 1.00 52.22 N ATOM 232 CZ ARG A 14 11.394 1.918 -9.652 1.00 73.14 C ATOM 233 NH1 ARG A 14 10.436 1.339 -10.407 1.00 71.13 N ATOM 234 NH2 ARG A 14 11.979 1.244 -8.680 1.00 63.33 N ATOM 0 HA ARG A 14 13.284 7.704 -10.817 1.00 20.52 H new ATOM 0 HB2 ARG A 14 13.133 5.062 -12.332 1.00 14.54 H new ATOM 0 HB3 ARG A 14 13.839 5.269 -10.741 1.00 14.54 H new ATOM 0 HG2 ARG A 14 11.741 5.750 -9.726 1.00 22.42 H new ATOM 0 HG3 ARG A 14 10.990 6.178 -11.250 1.00 22.42 H new ATOM 0 HD2 ARG A 14 10.099 4.034 -10.876 1.00 53.13 H new ATOM 0 HD3 ARG A 14 11.458 3.667 -11.920 1.00 53.13 H new ATOM 0 HE ARG A 14 12.494 3.594 -9.286 1.00 52.22 H new ATOM 0 HH11 ARG A 14 9.988 1.867 -11.156 1.00 71.13 H new ATOM 0 HH12 ARG A 14 10.160 0.373 -10.228 1.00 71.13 H new ATOM 0 HH21 ARG A 14 12.702 1.689 -8.114 1.00 63.33 H new ATOM 0 HH22 ARG A 14 11.709 0.278 -8.495 1.00 63.33 H new ATOM 247 N LYS A 15 14.908 6.842 -13.563 1.00 3.44 N ATOM 248 CA LYS A 15 16.195 6.904 -14.236 1.00 33.35 C ATOM 249 C LYS A 15 16.658 8.360 -14.309 1.00 51.02 C ATOM 250 O LYS A 15 17.710 8.708 -13.775 1.00 51.33 O ATOM 251 CB LYS A 15 16.120 6.212 -15.598 1.00 51.54 C ATOM 252 CG LYS A 15 17.366 6.512 -16.434 1.00 52.34 C ATOM 253 CD LYS A 15 17.641 5.386 -17.432 1.00 73.44 C ATOM 254 CE LYS A 15 16.711 5.487 -18.644 1.00 3.25 C ATOM 255 NZ LYS A 15 16.729 4.226 -19.418 1.00 22.03 N ATOM 0 H LYS A 15 14.147 6.469 -14.131 1.00 3.44 H new ATOM 0 HA LYS A 15 16.949 6.359 -13.669 1.00 33.35 H new ATOM 0 HB2 LYS A 15 16.022 5.135 -15.458 1.00 51.54 H new ATOM 0 HB3 LYS A 15 15.230 6.547 -16.132 1.00 51.54 H new ATOM 0 HG2 LYS A 15 17.232 7.452 -16.969 1.00 52.34 H new ATOM 0 HG3 LYS A 15 18.227 6.639 -15.778 1.00 52.34 H new ATOM 0 HD2 LYS A 15 18.679 5.432 -17.761 1.00 73.44 H new ATOM 0 HD3 LYS A 15 17.504 4.421 -16.944 1.00 73.44 H new ATOM 0 HE2 LYS A 15 15.695 5.703 -18.313 1.00 3.25 H new ATOM 0 HE3 LYS A 15 17.022 6.316 -19.280 1.00 3.25 H new ATOM 0 HZ1 LYS A 15 16.093 4.312 -20.236 1.00 22.03 H new ATOM 0 HZ2 LYS A 15 17.696 4.036 -19.750 1.00 22.03 H new ATOM 0 HZ3 LYS A 15 16.411 3.443 -18.813 1.00 22.03 H new ATOM 268 N ALA A 16 15.850 9.172 -14.975 1.00 72.41 N ATOM 269 CA ALA A 16 16.164 10.582 -15.126 1.00 14.44 C ATOM 270 C ALA A 16 16.656 11.136 -13.787 1.00 43.32 C ATOM 271 O ALA A 16 17.678 11.819 -13.732 1.00 40.13 O ATOM 272 CB ALA A 16 14.933 11.327 -15.647 1.00 34.41 C ATOM 0 H ALA A 16 14.978 8.880 -15.416 1.00 72.41 H new ATOM 0 HA ALA A 16 16.962 10.721 -15.855 1.00 14.44 H new ATOM 0 HB1 ALA A 16 15.169 12.385 -15.760 1.00 34.41 H new ATOM 0 HB2 ALA A 16 14.640 10.915 -16.613 1.00 34.41 H new ATOM 0 HB3 ALA A 16 14.112 11.212 -14.940 1.00 34.41 H new ATOM 278 N GLU A 17 15.907 10.822 -12.741 1.00 30.41 N ATOM 279 CA GLU A 17 16.255 11.279 -11.406 1.00 52.34 C ATOM 280 C GLU A 17 17.729 10.992 -11.114 1.00 72.11 C ATOM 281 O GLU A 17 18.420 11.818 -10.520 1.00 40.12 O ATOM 282 CB GLU A 17 15.351 10.635 -10.353 1.00 42.31 C ATOM 283 CG GLU A 17 15.521 11.317 -8.994 1.00 24.01 C ATOM 284 CD GLU A 17 14.747 10.571 -7.906 1.00 32.14 C ATOM 285 OE1 GLU A 17 14.831 10.936 -6.724 1.00 11.44 O ATOM 286 OE2 GLU A 17 14.037 9.579 -8.325 1.00 34.24 O ATOM 0 H GLU A 17 15.060 10.256 -12.790 1.00 30.41 H new ATOM 0 HA GLU A 17 16.099 12.357 -11.360 1.00 52.34 H new ATOM 0 HB2 GLU A 17 14.311 10.703 -10.671 1.00 42.31 H new ATOM 0 HB3 GLU A 17 15.588 9.575 -10.264 1.00 42.31 H new ATOM 0 HG2 GLU A 17 16.578 11.355 -8.732 1.00 24.01 H new ATOM 0 HG3 GLU A 17 15.170 12.347 -9.054 1.00 24.01 H new ATOM 294 N SER A 18 18.167 9.818 -11.545 1.00 34.02 N ATOM 295 CA SER A 18 19.546 9.411 -11.337 1.00 10.44 C ATOM 296 C SER A 18 20.466 10.175 -12.291 1.00 3.33 C ATOM 297 O SER A 18 21.542 10.623 -11.896 1.00 12.20 O ATOM 298 CB SER A 18 19.711 7.903 -11.534 1.00 3.24 C ATOM 299 OG SER A 18 21.020 7.564 -11.985 1.00 53.01 O ATOM 0 H SER A 18 17.591 9.136 -12.038 1.00 34.02 H new ATOM 0 HA SER A 18 19.821 9.648 -10.309 1.00 10.44 H new ATOM 0 HB2 SER A 18 19.507 7.390 -10.594 1.00 3.24 H new ATOM 0 HB3 SER A 18 18.976 7.549 -12.256 1.00 3.24 H new ATOM 0 HG SER A 18 21.086 6.593 -12.097 1.00 53.01 H new ATOM 305 N GLU A 19 20.010 10.301 -13.528 1.00 61.32 N ATOM 306 CA GLU A 19 20.779 11.003 -14.542 1.00 30.32 C ATOM 307 C GLU A 19 21.200 12.381 -14.029 1.00 14.42 C ATOM 308 O GLU A 19 22.210 12.929 -14.467 1.00 23.21 O ATOM 309 CB GLU A 19 19.988 11.121 -15.846 1.00 71.00 C ATOM 310 CG GLU A 19 19.568 9.742 -16.360 1.00 4.21 C ATOM 311 CD GLU A 19 19.370 9.759 -17.877 1.00 5.41 C ATOM 312 OE1 GLU A 19 18.564 10.551 -18.388 1.00 20.30 O ATOM 313 OE2 GLU A 19 20.091 8.912 -18.531 1.00 4.55 O ATOM 0 H GLU A 19 19.117 9.929 -13.852 1.00 61.32 H new ATOM 0 HA GLU A 19 21.679 10.425 -14.753 1.00 30.32 H new ATOM 0 HB2 GLU A 19 19.104 11.738 -15.684 1.00 71.00 H new ATOM 0 HB3 GLU A 19 20.594 11.624 -16.599 1.00 71.00 H new ATOM 0 HG2 GLU A 19 20.327 9.005 -16.097 1.00 4.21 H new ATOM 0 HG3 GLU A 19 18.643 9.434 -15.872 1.00 4.21 H new ATOM 321 N ARG A 20 20.403 12.903 -13.108 1.00 0.14 N ATOM 322 CA ARG A 20 20.680 14.207 -12.530 1.00 41.43 C ATOM 323 C ARG A 20 21.718 14.084 -11.413 1.00 61.31 C ATOM 324 O ARG A 20 22.745 14.760 -11.437 1.00 50.53 O ATOM 325 CB ARG A 20 19.407 14.842 -11.966 1.00 62.24 C ATOM 326 CG ARG A 20 18.443 15.229 -13.090 1.00 24.21 C ATOM 327 CD ARG A 20 17.062 15.577 -12.532 1.00 1.44 C ATOM 328 NE ARG A 20 17.090 16.922 -11.914 1.00 24.01 N ATOM 329 CZ ARG A 20 16.103 17.420 -11.140 1.00 11.31 C ATOM 330 NH1 ARG A 20 14.999 16.688 -10.882 1.00 32.41 N ATOM 331 NH2 ARG A 20 16.233 18.635 -10.639 1.00 62.33 N ATOM 0 H ARG A 20 19.565 12.446 -12.748 1.00 0.14 H new ATOM 0 HA ARG A 20 21.070 14.844 -13.324 1.00 41.43 H new ATOM 0 HB2 ARG A 20 18.918 14.144 -11.287 1.00 62.24 H new ATOM 0 HB3 ARG A 20 19.665 15.726 -11.383 1.00 62.24 H new ATOM 0 HG2 ARG A 20 18.843 16.081 -13.639 1.00 24.21 H new ATOM 0 HG3 ARG A 20 18.356 14.406 -13.799 1.00 24.21 H new ATOM 0 HD2 ARG A 20 16.321 15.550 -13.331 1.00 1.44 H new ATOM 0 HD3 ARG A 20 16.762 14.834 -11.793 1.00 1.44 H new ATOM 0 HE ARG A 20 17.907 17.509 -12.084 1.00 24.01 H new ATOM 0 HH11 ARG A 20 14.906 15.751 -11.273 1.00 32.41 H new ATOM 0 HH12 ARG A 20 14.258 17.072 -10.296 1.00 32.41 H new ATOM 0 HH21 ARG A 20 17.070 19.182 -10.839 1.00 62.33 H new ATOM 0 HH22 ARG A 20 15.496 19.026 -10.052 1.00 62.33 H new ATOM 344 N ILE A 21 21.415 13.215 -10.460 1.00 75.53 N ATOM 345 CA ILE A 21 22.308 12.994 -9.336 1.00 65.53 C ATOM 346 C ILE A 21 23.658 12.493 -9.855 1.00 3.34 C ATOM 347 O ILE A 21 24.666 12.578 -9.154 1.00 61.05 O ATOM 348 CB ILE A 21 21.660 12.062 -8.311 1.00 33.51 C ATOM 349 CG1 ILE A 21 20.635 12.813 -7.458 1.00 64.20 C ATOM 350 CG2 ILE A 21 22.720 11.366 -7.454 1.00 53.40 C ATOM 351 CD1 ILE A 21 19.680 11.840 -6.765 1.00 20.44 C ATOM 0 H ILE A 21 20.563 12.655 -10.443 1.00 75.53 H new ATOM 0 HA ILE A 21 22.495 13.929 -8.808 1.00 65.53 H new ATOM 0 HB ILE A 21 21.121 11.283 -8.851 1.00 33.51 H new ATOM 0 HG12 ILE A 21 21.151 13.416 -6.711 1.00 64.20 H new ATOM 0 HG13 ILE A 21 20.068 13.500 -8.086 1.00 64.20 H new ATOM 0 HG21 ILE A 21 22.232 10.709 -6.734 1.00 53.40 H new ATOM 0 HG22 ILE A 21 23.377 10.777 -8.095 1.00 53.40 H new ATOM 0 HG23 ILE A 21 23.307 12.115 -6.922 1.00 53.40 H new ATOM 0 HD11 ILE A 21 18.962 12.400 -6.165 1.00 20.44 H new ATOM 0 HD12 ILE A 21 19.148 11.255 -7.516 1.00 20.44 H new ATOM 0 HD13 ILE A 21 20.248 11.170 -6.119 1.00 20.44 H new ATOM 363 N ALA A 22 23.635 11.983 -11.077 1.00 55.11 N ATOM 364 CA ALA A 22 24.844 11.469 -11.697 1.00 50.22 C ATOM 365 C ALA A 22 25.611 12.625 -12.344 1.00 33.50 C ATOM 366 O ALA A 22 26.833 12.705 -12.229 1.00 33.14 O ATOM 367 CB ALA A 22 24.477 10.377 -12.704 1.00 22.12 C ATOM 0 H ALA A 22 22.797 11.915 -11.655 1.00 55.11 H new ATOM 0 HA ALA A 22 25.496 11.017 -10.950 1.00 50.22 H new ATOM 0 HB1 ALA A 22 25.384 9.991 -13.169 1.00 22.12 H new ATOM 0 HB2 ALA A 22 23.960 9.567 -12.190 1.00 22.12 H new ATOM 0 HB3 ALA A 22 23.825 10.794 -13.471 1.00 22.12 H new ATOM 373 N ASP A 23 24.861 13.490 -13.010 1.00 43.35 N ATOM 374 CA ASP A 23 25.455 14.638 -13.676 1.00 22.53 C ATOM 375 C ASP A 23 26.211 15.482 -12.648 1.00 41.53 C ATOM 376 O ASP A 23 27.299 15.983 -12.930 1.00 71.53 O ATOM 377 CB ASP A 23 24.382 15.520 -14.315 1.00 75.14 C ATOM 378 CG ASP A 23 24.870 16.399 -15.468 1.00 53.24 C ATOM 379 OD1 ASP A 23 24.885 17.635 -15.367 1.00 22.01 O ATOM 380 OD2 ASP A 23 25.251 15.757 -16.520 1.00 73.13 O ATOM 0 H ASP A 23 23.848 13.420 -13.103 1.00 43.35 H new ATOM 0 HA ASP A 23 26.126 14.269 -14.451 1.00 22.53 H new ATOM 0 HB2 ASP A 23 23.578 14.881 -14.680 1.00 75.14 H new ATOM 0 HB3 ASP A 23 23.954 16.162 -13.545 1.00 75.14 H new ATOM 386 N ARG A 24 25.605 15.616 -11.478 1.00 33.31 N ATOM 387 CA ARG A 24 26.207 16.391 -10.407 1.00 11.50 C ATOM 388 C ARG A 24 27.180 15.524 -9.605 1.00 55.13 C ATOM 389 O ARG A 24 28.324 15.914 -9.381 1.00 3.12 O ATOM 390 CB ARG A 24 25.139 16.952 -9.465 1.00 42.14 C ATOM 391 CG ARG A 24 25.614 18.250 -8.810 1.00 14.54 C ATOM 392 CD ARG A 24 27.088 18.157 -8.412 1.00 21.13 C ATOM 393 NE ARG A 24 27.493 19.378 -7.680 1.00 63.11 N ATOM 394 CZ ARG A 24 27.893 20.521 -8.277 1.00 60.45 C ATOM 395 NH1 ARG A 24 27.944 20.608 -9.624 1.00 5.34 N ATOM 396 NH2 ARG A 24 28.233 21.551 -7.526 1.00 30.14 N ATOM 0 H ARG A 24 24.702 15.200 -11.248 1.00 33.31 H new ATOM 0 HA ARG A 24 26.746 17.222 -10.862 1.00 11.50 H new ATOM 0 HB2 ARG A 24 24.219 17.136 -10.020 1.00 42.14 H new ATOM 0 HB3 ARG A 24 24.905 16.216 -8.695 1.00 42.14 H new ATOM 0 HG2 ARG A 24 25.472 19.082 -9.499 1.00 14.54 H new ATOM 0 HG3 ARG A 24 25.008 18.459 -7.928 1.00 14.54 H new ATOM 0 HD2 ARG A 24 27.250 17.278 -7.788 1.00 21.13 H new ATOM 0 HD3 ARG A 24 27.706 18.034 -9.301 1.00 21.13 H new ATOM 0 HE ARG A 24 27.468 19.354 -6.661 1.00 63.11 H new ATOM 0 HH11 ARG A 24 27.679 19.807 -10.197 1.00 5.34 H new ATOM 0 HH12 ARG A 24 28.247 21.475 -10.068 1.00 5.34 H new ATOM 0 HH21 ARG A 24 28.192 21.477 -6.510 1.00 30.14 H new ATOM 0 HH22 ARG A 24 28.537 22.422 -7.962 1.00 30.14 H new ATOM 409 N PHE A 25 26.688 14.364 -9.196 1.00 21.12 N ATOM 410 CA PHE A 25 27.500 13.438 -8.424 1.00 15.01 C ATOM 411 C PHE A 25 27.520 12.053 -9.074 1.00 43.35 C ATOM 412 O PHE A 25 26.881 11.124 -8.584 1.00 63.44 O ATOM 413 CB PHE A 25 26.858 13.328 -7.039 1.00 41.33 C ATOM 414 CG PHE A 25 26.231 14.631 -6.539 1.00 1.31 C ATOM 415 CD1 PHE A 25 27.017 15.600 -5.997 1.00 21.11 C ATOM 416 CD2 PHE A 25 24.888 14.821 -6.636 1.00 70.22 C ATOM 417 CE1 PHE A 25 26.435 16.809 -5.533 1.00 3.04 C ATOM 418 CE2 PHE A 25 24.306 16.030 -6.172 1.00 1.03 C ATOM 419 CZ PHE A 25 25.092 16.999 -5.630 1.00 21.43 C ATOM 0 H PHE A 25 25.738 14.044 -9.384 1.00 21.12 H new ATOM 0 HA PHE A 25 28.527 13.800 -8.370 1.00 15.01 H new ATOM 0 HB2 PHE A 25 26.091 12.554 -7.066 1.00 41.33 H new ATOM 0 HB3 PHE A 25 27.614 13.003 -6.324 1.00 41.33 H new ATOM 0 HD1 PHE A 25 28.084 15.450 -5.920 1.00 21.11 H new ATOM 0 HD2 PHE A 25 24.264 14.052 -7.066 1.00 70.22 H new ATOM 0 HE1 PHE A 25 27.059 17.578 -5.103 1.00 3.04 H new ATOM 0 HE2 PHE A 25 23.239 16.180 -6.249 1.00 1.03 H new ATOM 0 HZ PHE A 25 24.650 17.919 -5.277 1.00 21.43 H new ATOM 429 N PRO A 26 28.281 11.957 -10.198 1.00 1.34 N ATOM 430 CA PRO A 26 28.394 10.702 -10.920 1.00 74.14 C ATOM 431 C PRO A 26 29.304 9.721 -10.178 1.00 40.51 C ATOM 432 O PRO A 26 29.489 8.587 -10.616 1.00 42.35 O ATOM 433 CB PRO A 26 28.925 11.084 -12.292 1.00 61.12 C ATOM 434 CG PRO A 26 29.528 12.470 -12.134 1.00 41.33 C ATOM 435 CD PRO A 26 29.052 13.037 -10.807 1.00 54.40 C ATOM 0 HA PRO A 26 27.441 10.180 -11.007 1.00 74.14 H new ATOM 0 HB2 PRO A 26 29.673 10.369 -12.634 1.00 61.12 H new ATOM 0 HB3 PRO A 26 28.126 11.088 -13.033 1.00 61.12 H new ATOM 0 HG2 PRO A 26 30.616 12.418 -12.158 1.00 41.33 H new ATOM 0 HG3 PRO A 26 29.221 13.116 -12.957 1.00 41.33 H new ATOM 0 HD2 PRO A 26 29.892 13.328 -10.177 1.00 54.40 H new ATOM 0 HD3 PRO A 26 28.440 13.927 -10.953 1.00 54.40 H new ATOM 443 N ASN A 27 29.848 10.195 -9.067 1.00 21.55 N ATOM 444 CA ASN A 27 30.735 9.374 -8.259 1.00 75.21 C ATOM 445 C ASN A 27 29.991 8.910 -7.005 1.00 4.14 C ATOM 446 O ASN A 27 30.594 8.338 -6.097 1.00 41.45 O ATOM 447 CB ASN A 27 31.965 10.166 -7.814 1.00 2.02 C ATOM 448 CG ASN A 27 33.065 10.114 -8.876 1.00 60.51 C ATOM 449 OD1 ASN A 27 32.635 10.350 -10.112 1.00 42.04 O flip ATOM 450 ND2 ASN A 27 34.227 9.874 -8.592 1.00 51.21 N flip ATOM 0 H ASN A 27 29.692 11.137 -8.707 1.00 21.55 H new ATOM 0 HA ASN A 27 31.053 8.525 -8.864 1.00 75.21 H new ATOM 0 HB2 ASN A 27 31.686 11.203 -7.625 1.00 2.02 H new ATOM 0 HB3 ASN A 27 32.342 9.761 -6.875 1.00 2.02 H new ATOM 0 HD21 ASN A 27 34.490 9.702 -7.622 1.00 51.21 H new ATOM 0 HD22 ASN A 27 34.936 9.846 -9.325 1.00 51.21 H new ATOM 457 N ARG A 28 28.693 9.174 -6.993 1.00 61.24 N ATOM 458 CA ARG A 28 27.861 8.791 -5.865 1.00 63.42 C ATOM 459 C ARG A 28 27.020 7.562 -6.219 1.00 5.24 C ATOM 460 O ARG A 28 27.136 7.022 -7.318 1.00 30.25 O ATOM 461 CB ARG A 28 26.933 9.934 -5.452 1.00 54.22 C ATOM 462 CG ARG A 28 27.702 11.021 -4.699 1.00 24.22 C ATOM 463 CD ARG A 28 29.046 11.307 -5.372 1.00 2.52 C ATOM 464 NE ARG A 28 29.627 12.556 -4.830 1.00 43.22 N ATOM 465 CZ ARG A 28 30.949 12.829 -4.810 1.00 42.53 C ATOM 466 NH1 ARG A 28 31.840 11.942 -5.303 1.00 13.34 N ATOM 467 NH2 ARG A 28 31.358 13.977 -4.302 1.00 51.11 N ATOM 0 H ARG A 28 28.197 9.649 -7.747 1.00 61.24 H new ATOM 0 HA ARG A 28 28.521 8.555 -5.031 1.00 63.42 H new ATOM 0 HB2 ARG A 28 26.463 10.363 -6.337 1.00 54.22 H new ATOM 0 HB3 ARG A 28 26.132 9.547 -4.822 1.00 54.22 H new ATOM 0 HG2 ARG A 28 27.107 11.934 -4.663 1.00 24.22 H new ATOM 0 HG3 ARG A 28 27.867 10.707 -3.668 1.00 24.22 H new ATOM 0 HD2 ARG A 28 29.730 10.475 -5.205 1.00 2.52 H new ATOM 0 HD3 ARG A 28 28.911 11.397 -6.450 1.00 2.52 H new ATOM 0 HE ARG A 28 28.989 13.254 -4.448 1.00 43.22 H new ATOM 0 HH11 ARG A 28 31.516 11.058 -5.695 1.00 13.34 H new ATOM 0 HH12 ARG A 28 32.837 12.156 -5.284 1.00 13.34 H new ATOM 0 HH21 ARG A 28 30.679 14.642 -3.932 1.00 51.11 H new ATOM 0 HH22 ARG A 28 32.353 14.199 -4.279 1.00 51.11 H new ATOM 480 N ILE A 29 26.193 7.157 -5.266 1.00 42.03 N ATOM 481 CA ILE A 29 25.333 6.002 -5.463 1.00 44.43 C ATOM 482 C ILE A 29 23.983 6.257 -4.791 1.00 53.22 C ATOM 483 O ILE A 29 23.800 5.940 -3.617 1.00 1.51 O ATOM 484 CB ILE A 29 26.029 4.728 -4.982 1.00 22.24 C ATOM 485 CG1 ILE A 29 27.533 4.785 -5.260 1.00 13.21 C ATOM 486 CG2 ILE A 29 25.380 3.484 -5.593 1.00 2.30 C ATOM 487 CD1 ILE A 29 28.175 3.407 -5.090 1.00 73.12 C ATOM 0 H ILE A 29 26.100 7.608 -4.356 1.00 42.03 H new ATOM 0 HA ILE A 29 25.137 5.849 -6.524 1.00 44.43 H new ATOM 0 HB ILE A 29 25.904 4.659 -3.901 1.00 22.24 H new ATOM 0 HG12 ILE A 29 27.706 5.148 -6.273 1.00 13.21 H new ATOM 0 HG13 ILE A 29 28.005 5.496 -4.582 1.00 13.21 H new ATOM 0 HG21 ILE A 29 25.894 2.592 -5.235 1.00 2.30 H new ATOM 0 HG22 ILE A 29 24.331 3.440 -5.301 1.00 2.30 H new ATOM 0 HG23 ILE A 29 25.452 3.532 -6.680 1.00 2.30 H new ATOM 0 HD11 ILE A 29 29.244 3.476 -5.293 1.00 73.12 H new ATOM 0 HD12 ILE A 29 28.022 3.058 -4.069 1.00 73.12 H new ATOM 0 HD13 ILE A 29 27.718 2.704 -5.786 1.00 73.12 H new ATOM 499 N PRO A 30 23.047 6.842 -5.586 1.00 13.33 N ATOM 500 CA PRO A 30 21.718 7.143 -5.080 1.00 42.21 C ATOM 501 C PRO A 30 20.875 5.872 -4.964 1.00 32.05 C ATOM 502 O PRO A 30 20.206 5.476 -5.917 1.00 45.54 O ATOM 503 CB PRO A 30 21.142 8.150 -6.062 1.00 43.22 C ATOM 504 CG PRO A 30 21.978 8.025 -7.326 1.00 0.13 C ATOM 505 CD PRO A 30 23.228 7.231 -6.981 1.00 54.33 C ATOM 0 HA PRO A 30 21.735 7.555 -4.071 1.00 42.21 H new ATOM 0 HB2 PRO A 30 20.092 7.940 -6.266 1.00 43.22 H new ATOM 0 HB3 PRO A 30 21.192 9.161 -5.659 1.00 43.22 H new ATOM 0 HG2 PRO A 30 21.411 7.523 -8.110 1.00 0.13 H new ATOM 0 HG3 PRO A 30 22.245 9.011 -7.706 1.00 0.13 H new ATOM 0 HD2 PRO A 30 23.333 6.358 -7.625 1.00 54.33 H new ATOM 0 HD3 PRO A 30 24.128 7.833 -7.111 1.00 54.33 H new ATOM 513 N VAL A 31 20.933 5.267 -3.786 1.00 43.31 N ATOM 514 CA VAL A 31 20.183 4.049 -3.532 1.00 41.03 C ATOM 515 C VAL A 31 18.764 4.412 -3.089 1.00 25.13 C ATOM 516 O VAL A 31 18.539 5.489 -2.539 1.00 34.20 O ATOM 517 CB VAL A 31 20.924 3.181 -2.514 1.00 22.42 C ATOM 518 CG1 VAL A 31 19.952 2.274 -1.756 1.00 64.33 C ATOM 519 CG2 VAL A 31 22.025 2.361 -3.190 1.00 42.20 C ATOM 0 H VAL A 31 21.488 5.598 -2.997 1.00 43.31 H new ATOM 0 HA VAL A 31 20.097 3.456 -4.443 1.00 41.03 H new ATOM 0 HB VAL A 31 21.397 3.844 -1.790 1.00 22.42 H new ATOM 0 HG11 VAL A 31 20.505 1.667 -1.039 1.00 64.33 H new ATOM 0 HG12 VAL A 31 19.221 2.886 -1.227 1.00 64.33 H new ATOM 0 HG13 VAL A 31 19.437 1.622 -2.462 1.00 64.33 H new ATOM 0 HG21 VAL A 31 22.536 1.753 -2.444 1.00 42.20 H new ATOM 0 HG22 VAL A 31 21.583 1.712 -3.946 1.00 42.20 H new ATOM 0 HG23 VAL A 31 22.741 3.033 -3.663 1.00 42.20 H new ATOM 529 N ILE A 32 17.846 3.492 -3.344 1.00 55.41 N ATOM 530 CA ILE A 32 16.455 3.702 -2.978 1.00 20.00 C ATOM 531 C ILE A 32 15.957 2.499 -2.175 1.00 74.43 C ATOM 532 O ILE A 32 15.479 1.520 -2.748 1.00 44.43 O ATOM 533 CB ILE A 32 15.614 4.004 -4.220 1.00 13.24 C ATOM 534 CG1 ILE A 32 15.776 5.463 -4.650 1.00 43.42 C ATOM 535 CG2 ILE A 32 14.147 3.634 -3.991 1.00 72.14 C ATOM 536 CD1 ILE A 32 14.793 6.368 -3.905 1.00 33.21 C ATOM 0 H ILE A 32 18.037 2.600 -3.799 1.00 55.41 H new ATOM 0 HA ILE A 32 16.357 4.577 -2.335 1.00 20.00 H new ATOM 0 HB ILE A 32 15.979 3.384 -5.039 1.00 13.24 H new ATOM 0 HG12 ILE A 32 16.797 5.792 -4.456 1.00 43.42 H new ATOM 0 HG13 ILE A 32 15.612 5.549 -5.724 1.00 43.42 H new ATOM 0 HG21 ILE A 32 13.571 3.858 -4.889 1.00 72.14 H new ATOM 0 HG22 ILE A 32 14.071 2.570 -3.767 1.00 72.14 H new ATOM 0 HG23 ILE A 32 13.753 4.210 -3.154 1.00 72.14 H new ATOM 0 HD11 ILE A 32 14.930 7.399 -4.230 1.00 33.21 H new ATOM 0 HD12 ILE A 32 13.772 6.052 -4.121 1.00 33.21 H new ATOM 0 HD13 ILE A 32 14.975 6.298 -2.833 1.00 33.21 H new ATOM 548 N CYS A 33 16.084 2.610 -0.861 1.00 43.23 N ATOM 549 CA CYS A 33 15.653 1.543 0.026 1.00 53.51 C ATOM 550 C CYS A 33 14.211 1.827 0.452 1.00 71.20 C ATOM 551 O CYS A 33 13.777 2.978 0.459 1.00 31.33 O ATOM 552 CB CYS A 33 16.585 1.397 1.230 1.00 44.01 C ATOM 553 SG CYS A 33 15.905 0.168 2.403 1.00 51.22 S ATOM 0 H CYS A 33 16.480 3.423 -0.389 1.00 43.23 H new ATOM 0 HA CYS A 33 15.695 0.589 -0.500 1.00 53.51 H new ATOM 0 HB2 CYS A 33 17.575 1.086 0.898 1.00 44.01 H new ATOM 0 HB3 CYS A 33 16.704 2.360 1.727 1.00 44.01 H new ATOM 0 HG CYS A 33 15.995 0.629 3.615 1.00 51.22 H new ATOM 559 N GLU A 34 13.508 0.758 0.797 1.00 64.34 N ATOM 560 CA GLU A 34 12.124 0.877 1.223 1.00 45.00 C ATOM 561 C GLU A 34 11.840 -0.087 2.377 1.00 54.52 C ATOM 562 O GLU A 34 11.960 -1.301 2.220 1.00 12.44 O ATOM 563 CB GLU A 34 11.168 0.631 0.055 1.00 53.44 C ATOM 564 CG GLU A 34 11.637 1.367 -1.202 1.00 52.02 C ATOM 565 CD GLU A 34 12.537 0.473 -2.057 1.00 23.21 C ATOM 566 OE1 GLU A 34 13.681 0.193 -1.669 1.00 4.22 O ATOM 567 OE2 GLU A 34 12.010 0.063 -3.160 1.00 54.25 O ATOM 0 H GLU A 34 13.871 -0.195 0.790 1.00 64.34 H new ATOM 0 HA GLU A 34 11.959 1.895 1.576 1.00 45.00 H new ATOM 0 HB2 GLU A 34 11.104 -0.438 -0.148 1.00 53.44 H new ATOM 0 HB3 GLU A 34 10.166 0.965 0.324 1.00 53.44 H new ATOM 0 HG2 GLU A 34 10.773 1.684 -1.786 1.00 52.02 H new ATOM 0 HG3 GLU A 34 12.179 2.270 -0.919 1.00 52.02 H new ATOM 575 N LYS A 35 11.467 0.491 3.510 1.00 63.03 N ATOM 576 CA LYS A 35 11.164 -0.301 4.689 1.00 23.43 C ATOM 577 C LYS A 35 10.084 -1.329 4.345 1.00 43.24 C ATOM 578 O LYS A 35 9.109 -1.006 3.668 1.00 32.23 O ATOM 579 CB LYS A 35 10.797 0.606 5.865 1.00 52.53 C ATOM 580 CG LYS A 35 10.049 -0.174 6.948 1.00 71.15 C ATOM 581 CD LYS A 35 8.545 -0.195 6.668 1.00 32.31 C ATOM 582 CE LYS A 35 7.744 -0.166 7.972 1.00 45.33 C ATOM 583 NZ LYS A 35 6.435 -0.832 7.791 1.00 1.43 N ATOM 0 H LYS A 35 11.368 1.498 3.636 1.00 63.03 H new ATOM 0 HA LYS A 35 12.044 -0.858 5.009 1.00 23.43 H new ATOM 0 HB2 LYS A 35 11.702 1.044 6.287 1.00 52.53 H new ATOM 0 HB3 LYS A 35 10.178 1.431 5.513 1.00 52.53 H new ATOM 0 HG2 LYS A 35 10.428 -1.195 6.994 1.00 71.15 H new ATOM 0 HG3 LYS A 35 10.235 0.279 7.922 1.00 71.15 H new ATOM 0 HD2 LYS A 35 8.274 0.662 6.052 1.00 32.31 H new ATOM 0 HD3 LYS A 35 8.290 -1.090 6.100 1.00 32.31 H new ATOM 0 HE2 LYS A 35 8.306 -0.664 8.762 1.00 45.33 H new ATOM 0 HE3 LYS A 35 7.593 0.866 8.290 1.00 45.33 H new ATOM 0 HZ1 LYS A 35 5.877 -0.744 8.664 1.00 1.43 H new ATOM 0 HZ2 LYS A 35 5.922 -0.382 7.006 1.00 1.43 H new ATOM 0 HZ3 LYS A 35 6.584 -1.838 7.575 1.00 1.43 H new ATOM 596 N ALA A 36 10.295 -2.545 4.825 1.00 31.34 N ATOM 597 CA ALA A 36 9.351 -3.622 4.577 1.00 64.13 C ATOM 598 C ALA A 36 8.076 -3.373 5.384 1.00 72.31 C ATOM 599 O ALA A 36 8.126 -3.239 6.606 1.00 43.34 O ATOM 600 CB ALA A 36 10.005 -4.963 4.918 1.00 41.33 C ATOM 0 H ALA A 36 11.106 -2.809 5.385 1.00 31.34 H new ATOM 0 HA ALA A 36 9.073 -3.654 3.524 1.00 64.13 H new ATOM 0 HB1 ALA A 36 9.297 -5.771 4.732 1.00 41.33 H new ATOM 0 HB2 ALA A 36 10.889 -5.105 4.297 1.00 41.33 H new ATOM 0 HB3 ALA A 36 10.295 -4.970 5.969 1.00 41.33 H new ATOM 606 N GLU A 37 6.962 -3.320 4.668 1.00 10.45 N ATOM 607 CA GLU A 37 5.675 -3.089 5.303 1.00 22.31 C ATOM 608 C GLU A 37 5.412 -4.154 6.370 1.00 14.52 C ATOM 609 O GLU A 37 4.957 -3.837 7.469 1.00 64.14 O ATOM 610 CB GLU A 37 4.550 -3.061 4.267 1.00 60.42 C ATOM 611 CG GLU A 37 4.276 -4.463 3.717 1.00 41.31 C ATOM 612 CD GLU A 37 3.304 -4.408 2.536 1.00 25.13 C ATOM 613 OE1 GLU A 37 3.074 -3.328 1.973 1.00 72.04 O ATOM 614 OE2 GLU A 37 2.782 -5.541 2.208 1.00 54.32 O ATOM 0 H GLU A 37 6.924 -3.433 3.655 1.00 10.45 H new ATOM 0 HA GLU A 37 5.701 -2.114 5.789 1.00 22.31 H new ATOM 0 HB2 GLU A 37 3.643 -2.661 4.720 1.00 60.42 H new ATOM 0 HB3 GLU A 37 4.820 -2.392 3.450 1.00 60.42 H new ATOM 0 HG2 GLU A 37 5.212 -4.923 3.401 1.00 41.31 H new ATOM 0 HG3 GLU A 37 3.862 -5.092 4.505 1.00 41.31 H new ATOM 622 N LYS A 38 5.708 -5.394 6.010 1.00 51.54 N ATOM 623 CA LYS A 38 5.509 -6.506 6.923 1.00 75.35 C ATOM 624 C LYS A 38 6.248 -6.225 8.232 1.00 13.41 C ATOM 625 O LYS A 38 5.686 -6.390 9.314 1.00 63.00 O ATOM 626 CB LYS A 38 5.914 -7.823 6.258 1.00 23.53 C ATOM 627 CG LYS A 38 4.954 -8.184 5.123 1.00 40.31 C ATOM 628 CD LYS A 38 3.695 -8.863 5.665 1.00 54.33 C ATOM 629 CE LYS A 38 3.136 -9.867 4.655 1.00 73.20 C ATOM 630 NZ LYS A 38 2.054 -10.671 5.267 1.00 1.55 N ATOM 0 H LYS A 38 6.084 -5.653 5.098 1.00 51.54 H new ATOM 0 HA LYS A 38 4.453 -6.612 7.170 1.00 75.35 H new ATOM 0 HB2 LYS A 38 6.929 -7.740 5.868 1.00 23.53 H new ATOM 0 HB3 LYS A 38 5.922 -8.621 7.000 1.00 23.53 H new ATOM 0 HG2 LYS A 38 4.678 -7.283 4.575 1.00 40.31 H new ATOM 0 HG3 LYS A 38 5.453 -8.847 4.416 1.00 40.31 H new ATOM 0 HD2 LYS A 38 3.926 -9.373 6.600 1.00 54.33 H new ATOM 0 HD3 LYS A 38 2.940 -8.110 5.891 1.00 54.33 H new ATOM 0 HE2 LYS A 38 2.755 -9.339 3.781 1.00 73.20 H new ATOM 0 HE3 LYS A 38 3.933 -10.524 4.307 1.00 73.20 H new ATOM 0 HZ1 LYS A 38 1.686 -11.347 4.568 1.00 1.55 H new ATOM 0 HZ2 LYS A 38 2.428 -11.190 6.087 1.00 1.55 H new ATOM 0 HZ3 LYS A 38 1.286 -10.041 5.577 1.00 1.55 H new ATOM 643 N SER A 39 7.496 -5.804 8.091 1.00 1.21 N ATOM 644 CA SER A 39 8.318 -5.498 9.250 1.00 50.54 C ATOM 645 C SER A 39 7.478 -4.790 10.315 1.00 70.01 C ATOM 646 O SER A 39 6.443 -4.201 10.005 1.00 64.42 O ATOM 647 CB SER A 39 9.519 -4.633 8.860 1.00 73.10 C ATOM 648 OG SER A 39 9.209 -3.242 8.896 1.00 64.52 O ATOM 0 H SER A 39 7.958 -5.667 7.192 1.00 1.21 H new ATOM 0 HA SER A 39 8.696 -6.435 9.658 1.00 50.54 H new ATOM 0 HB2 SER A 39 10.348 -4.837 9.537 1.00 73.10 H new ATOM 0 HB3 SER A 39 9.851 -4.905 7.858 1.00 73.10 H new ATOM 0 HG SER A 39 8.997 -2.930 7.991 1.00 64.52 H new ATOM 654 N ASP A 40 7.954 -4.871 11.548 1.00 5.15 N ATOM 655 CA ASP A 40 7.260 -4.246 12.661 1.00 3.34 C ATOM 656 C ASP A 40 8.049 -3.019 13.124 1.00 20.14 C ATOM 657 O ASP A 40 7.997 -2.649 14.296 1.00 33.13 O ATOM 658 CB ASP A 40 7.142 -5.206 13.846 1.00 33.41 C ATOM 659 CG ASP A 40 5.921 -6.128 13.811 1.00 21.35 C ATOM 660 OD1 ASP A 40 4.922 -5.840 13.136 1.00 0.10 O ATOM 661 OD2 ASP A 40 6.025 -7.197 14.526 1.00 32.22 O ATOM 0 H ASP A 40 8.812 -5.360 11.801 1.00 5.15 H new ATOM 0 HA ASP A 40 6.262 -3.967 12.322 1.00 3.34 H new ATOM 0 HB2 ASP A 40 8.041 -5.820 13.888 1.00 33.41 H new ATOM 0 HB3 ASP A 40 7.112 -4.622 14.766 1.00 33.41 H new ATOM 667 N ILE A 41 8.762 -2.422 12.180 1.00 35.42 N ATOM 668 CA ILE A 41 9.560 -1.245 12.477 1.00 61.24 C ATOM 669 C ILE A 41 8.798 0.007 12.037 1.00 32.44 C ATOM 670 O ILE A 41 7.884 -0.074 11.218 1.00 64.13 O ATOM 671 CB ILE A 41 10.951 -1.370 11.851 1.00 53.41 C ATOM 672 CG1 ILE A 41 10.980 -0.750 10.452 1.00 1.13 C ATOM 673 CG2 ILE A 41 11.420 -2.826 11.843 1.00 51.14 C ATOM 674 CD1 ILE A 41 12.311 -1.035 9.754 1.00 5.43 C ATOM 0 H ILE A 41 8.804 -2.732 11.209 1.00 35.42 H new ATOM 0 HA ILE A 41 9.725 -1.157 13.551 1.00 61.24 H new ATOM 0 HB ILE A 41 11.654 -0.809 12.466 1.00 53.41 H new ATOM 0 HG12 ILE A 41 10.160 -1.150 9.856 1.00 1.13 H new ATOM 0 HG13 ILE A 41 10.826 0.327 10.524 1.00 1.13 H new ATOM 0 HG21 ILE A 41 12.411 -2.887 11.393 1.00 51.14 H new ATOM 0 HG22 ILE A 41 11.463 -3.200 12.866 1.00 51.14 H new ATOM 0 HG23 ILE A 41 10.721 -3.430 11.264 1.00 51.14 H new ATOM 0 HD11 ILE A 41 12.306 -0.584 8.762 1.00 5.43 H new ATOM 0 HD12 ILE A 41 13.127 -0.613 10.340 1.00 5.43 H new ATOM 0 HD13 ILE A 41 12.450 -2.112 9.662 1.00 5.43 H new ATOM 686 N PRO A 42 9.212 1.165 12.617 1.00 22.14 N ATOM 687 CA PRO A 42 8.579 2.432 12.294 1.00 33.05 C ATOM 688 C PRO A 42 9.015 2.927 10.914 1.00 74.11 C ATOM 689 O PRO A 42 10.208 3.044 10.641 1.00 42.11 O ATOM 690 CB PRO A 42 8.984 3.372 13.418 1.00 41.12 C ATOM 691 CG PRO A 42 10.198 2.737 14.075 1.00 23.44 C ATOM 692 CD PRO A 42 10.291 1.298 13.592 1.00 13.44 C ATOM 0 HA PRO A 42 7.494 2.355 12.229 1.00 33.05 H new ATOM 0 HB2 PRO A 42 9.223 4.363 13.032 1.00 41.12 H new ATOM 0 HB3 PRO A 42 8.172 3.496 14.135 1.00 41.12 H new ATOM 0 HG2 PRO A 42 11.103 3.286 13.815 1.00 23.44 H new ATOM 0 HG3 PRO A 42 10.105 2.770 15.161 1.00 23.44 H new ATOM 0 HD2 PRO A 42 11.261 1.094 13.139 1.00 13.44 H new ATOM 0 HD3 PRO A 42 10.169 0.595 14.416 1.00 13.44 H new ATOM 700 N GLU A 43 8.023 3.204 10.080 1.00 43.13 N ATOM 701 CA GLU A 43 8.289 3.684 8.734 1.00 23.12 C ATOM 702 C GLU A 43 9.121 4.967 8.783 1.00 12.30 C ATOM 703 O GLU A 43 9.157 5.649 9.806 1.00 1.02 O ATOM 704 CB GLU A 43 6.987 3.904 7.963 1.00 75.42 C ATOM 705 CG GLU A 43 7.210 3.757 6.456 1.00 32.43 C ATOM 706 CD GLU A 43 5.877 3.638 5.714 1.00 43.44 C ATOM 707 OE1 GLU A 43 4.866 4.200 6.161 1.00 45.54 O ATOM 708 OE2 GLU A 43 5.916 2.933 4.634 1.00 14.21 O ATOM 0 H GLU A 43 7.034 3.105 10.310 1.00 43.13 H new ATOM 0 HA GLU A 43 8.862 2.923 8.204 1.00 23.12 H new ATOM 0 HB2 GLU A 43 6.238 3.185 8.295 1.00 75.42 H new ATOM 0 HB3 GLU A 43 6.595 4.897 8.181 1.00 75.42 H new ATOM 0 HG2 GLU A 43 7.764 4.618 6.081 1.00 32.43 H new ATOM 0 HG3 GLU A 43 7.820 2.875 6.259 1.00 32.43 H new ATOM 716 N ILE A 44 9.768 5.258 7.664 1.00 22.02 N ATOM 717 CA ILE A 44 10.597 6.448 7.567 1.00 71.44 C ATOM 718 C ILE A 44 9.848 7.522 6.775 1.00 64.43 C ATOM 719 O ILE A 44 8.695 7.327 6.394 1.00 30.25 O ATOM 720 CB ILE A 44 11.969 6.099 6.985 1.00 35.23 C ATOM 721 CG1 ILE A 44 11.829 5.224 5.738 1.00 60.02 C ATOM 722 CG2 ILE A 44 12.863 5.450 8.043 1.00 24.13 C ATOM 723 CD1 ILE A 44 13.174 5.068 5.025 1.00 74.34 C ATOM 0 H ILE A 44 9.735 4.691 6.817 1.00 22.02 H new ATOM 0 HA ILE A 44 10.792 6.859 8.558 1.00 71.44 H new ATOM 0 HB ILE A 44 12.455 7.024 6.676 1.00 35.23 H new ATOM 0 HG12 ILE A 44 11.446 4.243 6.019 1.00 60.02 H new ATOM 0 HG13 ILE A 44 11.102 5.667 5.058 1.00 60.02 H new ATOM 0 HG21 ILE A 44 13.832 5.212 7.604 1.00 24.13 H new ATOM 0 HG22 ILE A 44 13.001 6.140 8.875 1.00 24.13 H new ATOM 0 HG23 ILE A 44 12.394 4.535 8.405 1.00 24.13 H new ATOM 0 HD11 ILE A 44 13.047 4.442 4.142 1.00 74.34 H new ATOM 0 HD12 ILE A 44 13.542 6.049 4.724 1.00 74.34 H new ATOM 0 HD13 ILE A 44 13.892 4.602 5.700 1.00 74.34 H new ATOM 735 N ASP A 45 10.535 8.632 6.549 1.00 24.15 N ATOM 736 CA ASP A 45 9.950 9.737 5.810 1.00 41.13 C ATOM 737 C ASP A 45 9.778 9.330 4.345 1.00 52.21 C ATOM 738 O ASP A 45 8.662 9.315 3.828 1.00 34.23 O ATOM 739 CB ASP A 45 10.855 10.970 5.855 1.00 55.25 C ATOM 740 CG ASP A 45 10.663 11.869 7.078 1.00 74.21 C ATOM 741 OD1 ASP A 45 9.592 12.464 7.271 1.00 2.15 O ATOM 742 OD2 ASP A 45 11.684 11.947 7.863 1.00 75.34 O ATOM 0 H ASP A 45 11.492 8.790 6.865 1.00 24.15 H new ATOM 0 HA ASP A 45 8.990 9.978 6.266 1.00 41.13 H new ATOM 0 HB2 ASP A 45 11.894 10.641 5.824 1.00 55.25 H new ATOM 0 HB3 ASP A 45 10.682 11.562 4.957 1.00 55.25 H new ATOM 748 N LYS A 46 10.900 9.011 3.717 1.00 72.42 N ATOM 749 CA LYS A 46 10.887 8.605 2.322 1.00 60.33 C ATOM 750 C LYS A 46 12.053 7.648 2.063 1.00 51.44 C ATOM 751 O LYS A 46 12.685 7.166 3.001 1.00 3.30 O ATOM 752 CB LYS A 46 10.883 9.831 1.407 1.00 54.11 C ATOM 753 CG LYS A 46 12.288 10.422 1.275 1.00 72.42 C ATOM 754 CD LYS A 46 12.842 10.829 2.641 1.00 21.05 C ATOM 755 CE LYS A 46 13.809 12.007 2.512 1.00 44.32 C ATOM 756 NZ LYS A 46 13.092 13.219 2.058 1.00 14.51 N ATOM 0 H LYS A 46 11.824 9.025 4.149 1.00 72.42 H new ATOM 0 HA LYS A 46 9.971 8.062 2.092 1.00 60.33 H new ATOM 0 HB2 LYS A 46 10.508 9.553 0.422 1.00 54.11 H new ATOM 0 HB3 LYS A 46 10.204 10.584 1.806 1.00 54.11 H new ATOM 0 HG2 LYS A 46 12.952 9.691 0.812 1.00 72.42 H new ATOM 0 HG3 LYS A 46 12.261 11.290 0.616 1.00 72.42 H new ATOM 0 HD2 LYS A 46 12.021 11.099 3.305 1.00 21.05 H new ATOM 0 HD3 LYS A 46 13.354 9.982 3.097 1.00 21.05 H new ATOM 0 HE2 LYS A 46 14.288 12.199 3.472 1.00 44.32 H new ATOM 0 HE3 LYS A 46 14.601 11.759 1.805 1.00 44.32 H new ATOM 0 HZ1 LYS A 46 13.583 14.065 2.411 1.00 14.51 H new ATOM 0 HZ2 LYS A 46 13.069 13.240 1.018 1.00 14.51 H new ATOM 0 HZ3 LYS A 46 12.119 13.205 2.425 1.00 14.51 H new ATOM 769 N ARG A 47 12.302 7.403 0.785 1.00 60.52 N ATOM 770 CA ARG A 47 13.381 6.512 0.390 1.00 13.54 C ATOM 771 C ARG A 47 14.413 7.269 -0.448 1.00 24.12 C ATOM 772 O ARG A 47 14.199 7.508 -1.635 1.00 42.51 O ATOM 773 CB ARG A 47 12.849 5.326 -0.417 1.00 11.53 C ATOM 774 CG ARG A 47 11.923 5.798 -1.539 1.00 52.55 C ATOM 775 CD ARG A 47 10.454 5.590 -1.163 1.00 45.20 C ATOM 776 NE ARG A 47 10.015 4.237 -1.569 1.00 71.34 N ATOM 777 CZ ARG A 47 8.907 3.627 -1.097 1.00 53.22 C ATOM 778 NH1 ARG A 47 8.115 4.247 -0.196 1.00 61.03 N ATOM 779 NH2 ARG A 47 8.609 2.416 -1.529 1.00 50.15 N ATOM 0 H ARG A 47 11.776 7.806 0.010 1.00 60.52 H new ATOM 0 HA ARG A 47 13.851 6.136 1.299 1.00 13.54 H new ATOM 0 HB2 ARG A 47 13.683 4.766 -0.840 1.00 11.53 H new ATOM 0 HB3 ARG A 47 12.310 4.645 0.242 1.00 11.53 H new ATOM 0 HG2 ARG A 47 12.103 6.853 -1.744 1.00 52.55 H new ATOM 0 HG3 ARG A 47 12.148 5.252 -2.455 1.00 52.55 H new ATOM 0 HD2 ARG A 47 10.324 5.716 -0.088 1.00 45.20 H new ATOM 0 HD3 ARG A 47 9.835 6.344 -1.650 1.00 45.20 H new ATOM 0 HE ARG A 47 10.585 3.733 -2.248 1.00 71.34 H new ATOM 0 HH11 ARG A 47 8.352 5.183 0.133 1.00 61.03 H new ATOM 0 HH12 ARG A 47 7.280 3.779 0.156 1.00 61.03 H new ATOM 0 HH21 ARG A 47 9.212 1.955 -2.210 1.00 50.15 H new ATOM 0 HH22 ARG A 47 7.775 1.942 -1.182 1.00 50.15 H new ATOM 792 N LYS A 48 15.511 7.624 0.203 1.00 24.22 N ATOM 793 CA LYS A 48 16.578 8.348 -0.467 1.00 52.13 C ATOM 794 C LYS A 48 17.906 8.057 0.235 1.00 53.41 C ATOM 795 O LYS A 48 18.036 8.274 1.439 1.00 73.52 O ATOM 796 CB LYS A 48 16.241 9.838 -0.554 1.00 43.10 C ATOM 797 CG LYS A 48 17.500 10.671 -0.807 1.00 72.45 C ATOM 798 CD LYS A 48 18.270 10.910 0.493 1.00 54.32 C ATOM 799 CE LYS A 48 18.928 12.291 0.493 1.00 2.34 C ATOM 800 NZ LYS A 48 19.967 12.370 -0.558 1.00 2.53 N ATOM 0 H LYS A 48 15.685 7.424 1.188 1.00 24.22 H new ATOM 0 HA LYS A 48 16.681 8.007 -1.497 1.00 52.13 H new ATOM 0 HB2 LYS A 48 15.522 10.006 -1.356 1.00 43.10 H new ATOM 0 HB3 LYS A 48 15.766 10.162 0.372 1.00 43.10 H new ATOM 0 HG2 LYS A 48 18.141 10.159 -1.525 1.00 72.45 H new ATOM 0 HG3 LYS A 48 17.224 11.627 -1.252 1.00 72.45 H new ATOM 0 HD2 LYS A 48 17.592 10.826 1.342 1.00 54.32 H new ATOM 0 HD3 LYS A 48 19.032 10.140 0.616 1.00 54.32 H new ATOM 0 HE2 LYS A 48 18.174 13.060 0.325 1.00 2.34 H new ATOM 0 HE3 LYS A 48 19.373 12.488 1.468 1.00 2.34 H new ATOM 0 HZ1 LYS A 48 19.821 13.228 -1.127 1.00 2.53 H new ATOM 0 HZ2 LYS A 48 20.907 12.404 -0.115 1.00 2.53 H new ATOM 0 HZ3 LYS A 48 19.904 11.533 -1.172 1.00 2.53 H new ATOM 813 N TYR A 49 18.858 7.572 -0.548 1.00 22.25 N ATOM 814 CA TYR A 49 20.171 7.249 -0.016 1.00 5.32 C ATOM 815 C TYR A 49 21.277 7.705 -0.971 1.00 13.24 C ATOM 816 O TYR A 49 21.511 7.075 -2.001 1.00 2.04 O ATOM 817 CB TYR A 49 20.215 5.725 0.105 1.00 72.34 C ATOM 818 CG TYR A 49 19.295 5.160 1.189 1.00 72.35 C ATOM 819 CD1 TYR A 49 17.925 5.223 1.033 1.00 0.20 C ATOM 820 CD2 TYR A 49 19.835 4.586 2.322 1.00 12.41 C ATOM 821 CE1 TYR A 49 17.059 4.691 2.053 1.00 1.43 C ATOM 822 CE2 TYR A 49 18.969 4.055 3.342 1.00 32.34 C ATOM 823 CZ TYR A 49 17.624 4.133 3.158 1.00 53.44 C ATOM 824 OH TYR A 49 16.806 3.631 4.121 1.00 11.22 O ATOM 0 H TYR A 49 18.747 7.395 -1.546 1.00 22.25 H new ATOM 0 HA TYR A 49 20.331 7.749 0.939 1.00 5.32 H new ATOM 0 HB2 TYR A 49 19.941 5.287 -0.855 1.00 72.34 H new ATOM 0 HB3 TYR A 49 21.239 5.417 0.315 1.00 72.34 H new ATOM 0 HD1 TYR A 49 17.503 5.671 0.146 1.00 0.20 H new ATOM 0 HD2 TYR A 49 20.907 4.535 2.443 1.00 12.41 H new ATOM 0 HE1 TYR A 49 15.985 4.734 1.944 1.00 1.43 H new ATOM 0 HE2 TYR A 49 19.379 3.604 4.234 1.00 32.34 H new ATOM 0 HH TYR A 49 15.944 3.387 3.723 1.00 11.22 H new ATOM 834 N LEU A 50 21.927 8.797 -0.594 1.00 75.24 N ATOM 835 CA LEU A 50 23.001 9.344 -1.404 1.00 44.44 C ATOM 836 C LEU A 50 24.342 9.065 -0.722 1.00 32.32 C ATOM 837 O LEU A 50 24.796 9.851 0.108 1.00 31.12 O ATOM 838 CB LEU A 50 22.755 10.827 -1.691 1.00 14.03 C ATOM 839 CG LEU A 50 23.119 11.308 -3.097 1.00 3.45 C ATOM 840 CD1 LEU A 50 23.567 12.771 -3.076 1.00 44.01 C ATOM 841 CD2 LEU A 50 24.169 10.396 -3.733 1.00 65.03 C ATOM 0 H LEU A 50 21.730 9.317 0.261 1.00 75.24 H new ATOM 0 HA LEU A 50 23.030 8.855 -2.378 1.00 44.44 H new ATOM 0 HB2 LEU A 50 21.700 11.040 -1.518 1.00 14.03 H new ATOM 0 HB3 LEU A 50 23.322 11.415 -0.969 1.00 14.03 H new ATOM 0 HG LEU A 50 22.226 11.253 -3.720 1.00 3.45 H new ATOM 0 HD11 LEU A 50 23.820 13.089 -4.088 1.00 44.01 H new ATOM 0 HD12 LEU A 50 22.759 13.393 -2.692 1.00 44.01 H new ATOM 0 HD13 LEU A 50 24.442 12.875 -2.434 1.00 44.01 H new ATOM 0 HD21 LEU A 50 24.410 10.760 -4.732 1.00 65.03 H new ATOM 0 HD22 LEU A 50 25.070 10.396 -3.120 1.00 65.03 H new ATOM 0 HD23 LEU A 50 23.776 9.382 -3.802 1.00 65.03 H new ATOM 853 N VAL A 51 24.938 7.942 -1.097 1.00 13.32 N ATOM 854 CA VAL A 51 26.217 7.549 -0.531 1.00 40.11 C ATOM 855 C VAL A 51 27.274 7.529 -1.637 1.00 2.00 C ATOM 856 O VAL A 51 26.948 7.352 -2.810 1.00 32.45 O ATOM 857 CB VAL A 51 26.080 6.206 0.189 1.00 1.24 C ATOM 858 CG1 VAL A 51 25.839 6.409 1.686 1.00 0.45 C ATOM 859 CG2 VAL A 51 24.969 5.360 -0.435 1.00 70.21 C ATOM 0 H VAL A 51 24.559 7.292 -1.786 1.00 13.32 H new ATOM 0 HA VAL A 51 26.542 8.272 0.217 1.00 40.11 H new ATOM 0 HB VAL A 51 27.019 5.665 0.071 1.00 1.24 H new ATOM 0 HG11 VAL A 51 25.745 5.439 2.174 1.00 0.45 H new ATOM 0 HG12 VAL A 51 26.678 6.954 2.119 1.00 0.45 H new ATOM 0 HG13 VAL A 51 24.922 6.979 1.833 1.00 0.45 H new ATOM 0 HG21 VAL A 51 24.893 4.411 0.096 1.00 70.21 H new ATOM 0 HG22 VAL A 51 24.021 5.893 -0.362 1.00 70.21 H new ATOM 0 HG23 VAL A 51 25.200 5.172 -1.483 1.00 70.21 H new ATOM 869 N PRO A 52 28.553 7.718 -1.213 1.00 54.45 N ATOM 870 CA PRO A 52 29.660 7.724 -2.154 1.00 73.35 C ATOM 871 C PRO A 52 29.988 6.305 -2.623 1.00 22.33 C ATOM 872 O PRO A 52 29.426 5.334 -2.117 1.00 2.51 O ATOM 873 CB PRO A 52 30.807 8.384 -1.408 1.00 24.42 C ATOM 874 CG PRO A 52 30.447 8.302 0.067 1.00 41.13 C ATOM 875 CD PRO A 52 28.976 7.932 0.167 1.00 25.43 C ATOM 0 HA PRO A 52 29.432 8.271 -3.069 1.00 73.35 H new ATOM 0 HB2 PRO A 52 31.749 7.873 -1.609 1.00 24.42 H new ATOM 0 HB3 PRO A 52 30.933 9.420 -1.722 1.00 24.42 H new ATOM 0 HG2 PRO A 52 31.063 7.557 0.570 1.00 41.13 H new ATOM 0 HG3 PRO A 52 30.635 9.256 0.560 1.00 41.13 H new ATOM 0 HD2 PRO A 52 28.834 7.034 0.769 1.00 25.43 H new ATOM 0 HD3 PRO A 52 28.399 8.727 0.639 1.00 25.43 H new ATOM 883 N ALA A 53 30.897 6.229 -3.584 1.00 23.55 N ATOM 884 CA ALA A 53 31.308 4.944 -4.126 1.00 14.34 C ATOM 885 C ALA A 53 32.467 4.392 -3.294 1.00 71.41 C ATOM 886 O ALA A 53 33.180 3.493 -3.737 1.00 45.14 O ATOM 887 CB ALA A 53 31.675 5.107 -5.602 1.00 34.10 C ATOM 0 H ALA A 53 31.361 7.036 -4.001 1.00 23.55 H new ATOM 0 HA ALA A 53 30.491 4.225 -4.071 1.00 14.34 H new ATOM 0 HB1 ALA A 53 31.983 4.144 -6.009 1.00 34.10 H new ATOM 0 HB2 ALA A 53 30.809 5.474 -6.154 1.00 34.10 H new ATOM 0 HB3 ALA A 53 32.494 5.820 -5.697 1.00 34.10 H new ATOM 893 N ASP A 54 32.619 4.952 -2.103 1.00 73.30 N ATOM 894 CA ASP A 54 33.679 4.526 -1.205 1.00 42.15 C ATOM 895 C ASP A 54 33.063 4.008 0.096 1.00 50.24 C ATOM 896 O ASP A 54 33.777 3.542 0.982 1.00 12.03 O ATOM 897 CB ASP A 54 34.607 5.692 -0.858 1.00 23.41 C ATOM 898 CG ASP A 54 34.022 6.716 0.116 1.00 1.02 C ATOM 899 OD1 ASP A 54 33.557 7.791 -0.291 1.00 33.13 O ATOM 900 OD2 ASP A 54 34.057 6.369 1.358 1.00 12.02 O ATOM 0 H ASP A 54 32.026 5.697 -1.739 1.00 73.30 H new ATOM 0 HA ASP A 54 34.252 3.745 -1.705 1.00 42.15 H new ATOM 0 HB2 ASP A 54 35.526 5.291 -0.431 1.00 23.41 H new ATOM 0 HB3 ASP A 54 34.881 6.205 -1.780 1.00 23.41 H new ATOM 906 N LEU A 55 31.744 4.107 0.169 1.00 52.42 N ATOM 907 CA LEU A 55 31.023 3.655 1.347 1.00 65.33 C ATOM 908 C LEU A 55 30.646 2.182 1.174 1.00 54.34 C ATOM 909 O LEU A 55 30.487 1.706 0.050 1.00 3.35 O ATOM 910 CB LEU A 55 29.828 4.568 1.627 1.00 21.43 C ATOM 911 CG LEU A 55 28.878 4.107 2.735 1.00 3.42 C ATOM 912 CD1 LEU A 55 28.287 5.304 3.482 1.00 12.24 C ATOM 913 CD2 LEU A 55 27.792 3.186 2.178 1.00 73.40 C ATOM 0 H LEU A 55 31.155 4.494 -0.569 1.00 52.42 H new ATOM 0 HA LEU A 55 31.657 3.720 2.231 1.00 65.33 H new ATOM 0 HB2 LEU A 55 30.205 5.557 1.887 1.00 21.43 H new ATOM 0 HB3 LEU A 55 29.255 4.677 0.706 1.00 21.43 H new ATOM 0 HG LEU A 55 29.452 3.527 3.458 1.00 3.42 H new ATOM 0 HD11 LEU A 55 27.616 4.949 4.264 1.00 12.24 H new ATOM 0 HD12 LEU A 55 29.092 5.886 3.931 1.00 12.24 H new ATOM 0 HD13 LEU A 55 27.732 5.931 2.784 1.00 12.24 H new ATOM 0 HD21 LEU A 55 27.131 2.873 2.986 1.00 73.40 H new ATOM 0 HD22 LEU A 55 27.215 3.719 1.423 1.00 73.40 H new ATOM 0 HD23 LEU A 55 28.255 2.308 1.728 1.00 73.40 H new ATOM 925 N THR A 56 30.512 1.502 2.303 1.00 51.04 N ATOM 926 CA THR A 56 30.156 0.093 2.290 1.00 54.41 C ATOM 927 C THR A 56 28.768 -0.111 2.901 1.00 20.21 C ATOM 928 O THR A 56 28.244 0.777 3.572 1.00 22.20 O ATOM 929 CB THR A 56 31.259 -0.680 3.015 1.00 51.11 C ATOM 930 OG1 THR A 56 31.004 -0.436 4.395 1.00 4.44 O ATOM 931 CG2 THR A 56 32.646 -0.079 2.780 1.00 64.32 C ATOM 0 H THR A 56 30.643 1.900 3.233 1.00 51.04 H new ATOM 0 HA THR A 56 30.088 -0.289 1.271 1.00 54.41 H new ATOM 0 HB THR A 56 31.253 -1.718 2.684 1.00 51.11 H new ATOM 0 HG1 THR A 56 30.798 -1.282 4.844 1.00 4.44 H new ATOM 0 HG21 THR A 56 33.392 -0.665 3.317 1.00 64.32 H new ATOM 0 HG22 THR A 56 32.872 -0.092 1.714 1.00 64.32 H new ATOM 0 HG23 THR A 56 32.663 0.949 3.142 1.00 64.32 H new ATOM 939 N VAL A 57 28.212 -1.287 2.647 1.00 2.30 N ATOM 940 CA VAL A 57 26.895 -1.619 3.164 1.00 65.22 C ATOM 941 C VAL A 57 26.837 -1.281 4.655 1.00 62.02 C ATOM 942 O VAL A 57 25.857 -0.708 5.127 1.00 12.21 O ATOM 943 CB VAL A 57 26.573 -3.086 2.870 1.00 3.14 C ATOM 944 CG1 VAL A 57 25.225 -3.482 3.475 1.00 72.52 C ATOM 945 CG2 VAL A 57 26.603 -3.363 1.366 1.00 30.41 C ATOM 0 H VAL A 57 28.649 -2.021 2.090 1.00 2.30 H new ATOM 0 HA VAL A 57 26.128 -1.025 2.667 1.00 65.22 H new ATOM 0 HB VAL A 57 27.343 -3.699 3.338 1.00 3.14 H new ATOM 0 HG11 VAL A 57 25.020 -4.529 3.252 1.00 72.52 H new ATOM 0 HG12 VAL A 57 25.255 -3.340 4.555 1.00 72.52 H new ATOM 0 HG13 VAL A 57 24.438 -2.859 3.049 1.00 72.52 H new ATOM 0 HG21 VAL A 57 26.371 -4.412 1.185 1.00 30.41 H new ATOM 0 HG22 VAL A 57 25.865 -2.736 0.866 1.00 30.41 H new ATOM 0 HG23 VAL A 57 27.595 -3.138 0.974 1.00 30.41 H new ATOM 955 N GLY A 58 27.900 -1.650 5.355 1.00 72.43 N ATOM 956 CA GLY A 58 27.982 -1.393 6.782 1.00 31.45 C ATOM 957 C GLY A 58 27.397 -0.022 7.127 1.00 20.33 C ATOM 958 O GLY A 58 26.489 0.080 7.951 1.00 61.02 O ATOM 0 H GLY A 58 28.712 -2.125 4.960 1.00 72.43 H new ATOM 0 HA2 GLY A 58 27.444 -2.169 7.326 1.00 31.45 H new ATOM 0 HA3 GLY A 58 29.022 -1.440 7.104 1.00 31.45 H new ATOM 962 N GLN A 59 27.941 0.998 6.480 1.00 63.51 N ATOM 963 CA GLN A 59 27.485 2.358 6.708 1.00 52.13 C ATOM 964 C GLN A 59 25.977 2.459 6.468 1.00 42.44 C ATOM 965 O GLN A 59 25.243 2.968 7.313 1.00 2.52 O ATOM 966 CB GLN A 59 28.248 3.348 5.825 1.00 22.51 C ATOM 967 CG GLN A 59 29.743 3.023 5.805 1.00 44.54 C ATOM 968 CD GLN A 59 30.231 2.595 7.190 1.00 13.22 C ATOM 969 OE1 GLN A 59 30.331 1.421 7.506 1.00 72.11 O ATOM 970 NE2 GLN A 59 30.527 3.610 7.997 1.00 2.10 N ATOM 0 H GLN A 59 28.694 0.910 5.797 1.00 63.51 H new ATOM 0 HA GLN A 59 27.687 2.619 7.747 1.00 52.13 H new ATOM 0 HB2 GLN A 59 27.851 3.317 4.810 1.00 22.51 H new ATOM 0 HB3 GLN A 59 28.097 4.362 6.195 1.00 22.51 H new ATOM 0 HG2 GLN A 59 29.936 2.227 5.086 1.00 44.54 H new ATOM 0 HG3 GLN A 59 30.304 3.896 5.472 1.00 44.54 H new ATOM 0 HE21 GLN A 59 30.421 4.570 7.669 1.00 2.10 H new ATOM 0 HE22 GLN A 59 30.860 3.428 8.944 1.00 2.10 H new ATOM 979 N PHE A 60 25.560 1.966 5.311 1.00 40.53 N ATOM 980 CA PHE A 60 24.153 1.995 4.949 1.00 41.13 C ATOM 981 C PHE A 60 23.283 1.461 6.088 1.00 13.42 C ATOM 982 O PHE A 60 22.408 2.167 6.589 1.00 62.21 O ATOM 983 CB PHE A 60 23.987 1.088 3.728 1.00 72.01 C ATOM 984 CG PHE A 60 22.725 1.370 2.910 1.00 35.15 C ATOM 985 CD1 PHE A 60 22.722 2.367 1.986 1.00 13.41 C ATOM 986 CD2 PHE A 60 21.605 0.623 3.108 1.00 24.13 C ATOM 987 CE1 PHE A 60 21.550 2.629 1.227 1.00 2.04 C ATOM 988 CE2 PHE A 60 20.434 0.884 2.350 1.00 51.54 C ATOM 989 CZ PHE A 60 20.431 1.882 1.425 1.00 21.02 C ATOM 0 H PHE A 60 26.172 1.544 4.612 1.00 40.53 H new ATOM 0 HA PHE A 60 23.843 3.019 4.741 1.00 41.13 H new ATOM 0 HB2 PHE A 60 24.858 1.201 3.083 1.00 72.01 H new ATOM 0 HB3 PHE A 60 23.968 0.050 4.059 1.00 72.01 H new ATOM 0 HD1 PHE A 60 23.611 2.960 1.829 1.00 13.41 H new ATOM 0 HD2 PHE A 60 21.607 -0.169 3.842 1.00 24.13 H new ATOM 0 HE1 PHE A 60 21.548 3.421 0.493 1.00 2.04 H new ATOM 0 HE2 PHE A 60 19.545 0.291 2.507 1.00 51.54 H new ATOM 0 HZ PHE A 60 19.540 2.081 0.848 1.00 21.02 H new ATOM 999 N VAL A 61 23.553 0.220 6.465 1.00 53.21 N ATOM 1000 CA VAL A 61 22.805 -0.416 7.536 1.00 21.20 C ATOM 1001 C VAL A 61 22.639 0.571 8.693 1.00 40.32 C ATOM 1002 O VAL A 61 21.646 0.523 9.417 1.00 23.35 O ATOM 1003 CB VAL A 61 23.494 -1.717 7.954 1.00 4.44 C ATOM 1004 CG1 VAL A 61 22.653 -2.477 8.981 1.00 72.52 C ATOM 1005 CG2 VAL A 61 23.798 -2.592 6.737 1.00 24.11 C ATOM 0 H VAL A 61 24.279 -0.362 6.048 1.00 53.21 H new ATOM 0 HA VAL A 61 21.806 -0.688 7.195 1.00 21.20 H new ATOM 0 HB VAL A 61 24.442 -1.458 8.424 1.00 4.44 H new ATOM 0 HG11 VAL A 61 23.165 -3.397 9.261 1.00 72.52 H new ATOM 0 HG12 VAL A 61 22.511 -1.857 9.866 1.00 72.52 H new ATOM 0 HG13 VAL A 61 21.682 -2.719 8.549 1.00 72.52 H new ATOM 0 HG21 VAL A 61 24.287 -3.510 7.062 1.00 24.11 H new ATOM 0 HG22 VAL A 61 22.868 -2.838 6.225 1.00 24.11 H new ATOM 0 HG23 VAL A 61 24.456 -2.052 6.056 1.00 24.11 H new ATOM 1015 N TYR A 62 23.626 1.444 8.830 1.00 42.32 N ATOM 1016 CA TYR A 62 23.602 2.442 9.886 1.00 31.32 C ATOM 1017 C TYR A 62 22.711 3.625 9.502 1.00 3.24 C ATOM 1018 O TYR A 62 21.902 4.084 10.307 1.00 74.12 O ATOM 1019 CB TYR A 62 25.044 2.931 10.037 1.00 55.51 C ATOM 1020 CG TYR A 62 25.412 3.353 11.461 1.00 72.13 C ATOM 1021 CD1 TYR A 62 25.286 2.455 12.501 1.00 75.42 C ATOM 1022 CD2 TYR A 62 25.871 4.632 11.705 1.00 35.52 C ATOM 1023 CE1 TYR A 62 25.632 2.851 13.841 1.00 42.31 C ATOM 1024 CE2 TYR A 62 26.217 5.028 13.045 1.00 2.23 C ATOM 1025 CZ TYR A 62 26.081 4.119 14.047 1.00 31.51 C ATOM 1026 OH TYR A 62 26.408 4.493 15.313 1.00 43.22 O ATOM 0 H TYR A 62 24.448 1.481 8.227 1.00 42.32 H new ATOM 0 HA TYR A 62 23.207 2.016 10.808 1.00 31.32 H new ATOM 0 HB2 TYR A 62 25.721 2.139 9.717 1.00 55.51 H new ATOM 0 HB3 TYR A 62 25.203 3.775 9.366 1.00 55.51 H new ATOM 0 HD1 TYR A 62 24.928 1.454 12.310 1.00 75.42 H new ATOM 0 HD2 TYR A 62 25.970 5.335 10.891 1.00 35.52 H new ATOM 0 HE1 TYR A 62 25.537 2.158 14.664 1.00 42.31 H new ATOM 0 HE2 TYR A 62 26.577 6.025 13.250 1.00 2.23 H new ATOM 0 HH TYR A 62 26.714 5.424 15.310 1.00 43.22 H new ATOM 1036 N VAL A 63 22.891 4.086 8.273 1.00 21.12 N ATOM 1037 CA VAL A 63 22.114 5.207 7.773 1.00 10.11 C ATOM 1038 C VAL A 63 20.639 4.996 8.122 1.00 4.35 C ATOM 1039 O VAL A 63 19.972 5.915 8.595 1.00 41.34 O ATOM 1040 CB VAL A 63 22.354 5.382 6.272 1.00 34.20 C ATOM 1041 CG1 VAL A 63 21.176 6.098 5.609 1.00 52.25 C ATOM 1042 CG2 VAL A 63 23.666 6.124 6.009 1.00 35.21 C ATOM 0 H VAL A 63 23.564 3.703 7.609 1.00 21.12 H new ATOM 0 HA VAL A 63 22.431 6.134 8.250 1.00 10.11 H new ATOM 0 HB VAL A 63 22.436 4.390 5.828 1.00 34.20 H new ATOM 0 HG11 VAL A 63 21.372 6.210 4.543 1.00 52.25 H new ATOM 0 HG12 VAL A 63 20.268 5.513 5.752 1.00 52.25 H new ATOM 0 HG13 VAL A 63 21.048 7.082 6.060 1.00 52.25 H new ATOM 0 HG21 VAL A 63 23.812 6.235 4.935 1.00 35.21 H new ATOM 0 HG22 VAL A 63 23.626 7.109 6.473 1.00 35.21 H new ATOM 0 HG23 VAL A 63 24.496 5.557 6.431 1.00 35.21 H new ATOM 1052 N ILE A 64 20.174 3.780 7.877 1.00 41.31 N ATOM 1053 CA ILE A 64 18.791 3.437 8.160 1.00 52.04 C ATOM 1054 C ILE A 64 18.524 3.607 9.657 1.00 75.45 C ATOM 1055 O ILE A 64 17.615 4.336 10.050 1.00 51.53 O ATOM 1056 CB ILE A 64 18.467 2.038 7.632 1.00 63.13 C ATOM 1057 CG1 ILE A 64 18.509 2.006 6.103 1.00 71.34 C ATOM 1058 CG2 ILE A 64 17.128 1.542 8.179 1.00 34.53 C ATOM 1059 CD1 ILE A 64 19.920 1.696 5.599 1.00 40.01 C ATOM 0 H ILE A 64 20.731 3.020 7.486 1.00 41.31 H new ATOM 0 HA ILE A 64 18.116 4.114 7.637 1.00 52.04 H new ATOM 0 HB ILE A 64 19.235 1.352 7.990 1.00 63.13 H new ATOM 0 HG12 ILE A 64 17.813 1.253 5.732 1.00 71.34 H new ATOM 0 HG13 ILE A 64 18.180 2.967 5.707 1.00 71.34 H new ATOM 0 HG21 ILE A 64 16.922 0.546 7.788 1.00 34.53 H new ATOM 0 HG22 ILE A 64 17.172 1.503 9.267 1.00 34.53 H new ATOM 0 HG23 ILE A 64 16.335 2.223 7.872 1.00 34.53 H new ATOM 0 HD11 ILE A 64 19.922 1.679 4.509 1.00 40.01 H new ATOM 0 HD12 ILE A 64 20.609 2.464 5.951 1.00 40.01 H new ATOM 0 HD13 ILE A 64 20.236 0.724 5.977 1.00 40.01 H new ATOM 1071 N ARG A 65 19.332 2.920 10.451 1.00 74.02 N ATOM 1072 CA ARG A 65 19.194 2.985 11.896 1.00 52.41 C ATOM 1073 C ARG A 65 18.977 4.432 12.343 1.00 14.34 C ATOM 1074 O ARG A 65 18.372 4.679 13.386 1.00 4.21 O ATOM 1075 CB ARG A 65 20.434 2.424 12.593 1.00 24.14 C ATOM 1076 CG ARG A 65 20.219 2.332 14.105 1.00 32.04 C ATOM 1077 CD ARG A 65 19.635 0.972 14.494 1.00 12.33 C ATOM 1078 NE ARG A 65 20.657 -0.085 14.325 1.00 54.34 N ATOM 1079 CZ ARG A 65 21.631 -0.346 15.221 1.00 22.35 C ATOM 1080 NH1 ARG A 65 21.724 0.372 16.361 1.00 64.31 N ATOM 1081 NH2 ARG A 65 22.492 -1.315 14.967 1.00 14.55 N ATOM 0 H ARG A 65 20.084 2.316 10.121 1.00 74.02 H new ATOM 0 HA ARG A 65 18.330 2.381 12.175 1.00 52.41 H new ATOM 0 HB2 ARG A 65 20.664 1.436 12.194 1.00 24.14 H new ATOM 0 HB3 ARG A 65 21.293 3.061 12.382 1.00 24.14 H new ATOM 0 HG2 ARG A 65 21.167 2.486 14.621 1.00 32.04 H new ATOM 0 HG3 ARG A 65 19.547 3.127 14.429 1.00 32.04 H new ATOM 0 HD2 ARG A 65 19.293 0.996 15.529 1.00 12.33 H new ATOM 0 HD3 ARG A 65 18.765 0.750 13.876 1.00 12.33 H new ATOM 0 HE ARG A 65 20.623 -0.652 13.478 1.00 54.34 H new ATOM 0 HH11 ARG A 65 21.055 1.118 16.550 1.00 64.31 H new ATOM 0 HH12 ARG A 65 22.464 0.168 17.033 1.00 64.31 H new ATOM 0 HH21 ARG A 65 22.414 -1.853 14.104 1.00 14.55 H new ATOM 0 HH22 ARG A 65 23.235 -1.525 15.634 1.00 14.55 H new ATOM 1094 N LYS A 66 19.481 5.351 11.533 1.00 61.11 N ATOM 1095 CA LYS A 66 19.350 6.767 11.832 1.00 33.34 C ATOM 1096 C LYS A 66 17.978 7.257 11.364 1.00 3.52 C ATOM 1097 O LYS A 66 17.300 7.992 12.081 1.00 41.14 O ATOM 1098 CB LYS A 66 20.520 7.551 11.236 1.00 2.23 C ATOM 1099 CG LYS A 66 21.855 7.051 11.792 1.00 62.13 C ATOM 1100 CD LYS A 66 21.827 6.996 13.321 1.00 41.45 C ATOM 1101 CE LYS A 66 23.244 7.042 13.897 1.00 74.51 C ATOM 1102 NZ LYS A 66 23.202 7.298 15.354 1.00 44.21 N ATOM 0 H LYS A 66 19.981 5.143 10.669 1.00 61.11 H new ATOM 0 HA LYS A 66 19.399 6.936 12.908 1.00 33.34 H new ATOM 0 HB2 LYS A 66 20.514 7.451 10.151 1.00 2.23 H new ATOM 0 HB3 LYS A 66 20.403 8.611 11.459 1.00 2.23 H new ATOM 0 HG2 LYS A 66 22.071 6.060 11.393 1.00 62.13 H new ATOM 0 HG3 LYS A 66 22.659 7.709 11.463 1.00 62.13 H new ATOM 0 HD2 LYS A 66 21.246 7.833 13.708 1.00 41.45 H new ATOM 0 HD3 LYS A 66 21.328 6.084 13.647 1.00 41.45 H new ATOM 0 HE2 LYS A 66 23.753 6.098 13.702 1.00 74.51 H new ATOM 0 HE3 LYS A 66 23.820 7.823 13.401 1.00 74.51 H new ATOM 0 HZ1 LYS A 66 24.171 7.326 15.730 1.00 44.21 H new ATOM 0 HZ2 LYS A 66 22.735 8.210 15.533 1.00 44.21 H new ATOM 0 HZ3 LYS A 66 22.670 6.538 15.825 1.00 44.21 H new ATOM 1115 N ARG A 67 17.611 6.832 10.165 1.00 71.34 N ATOM 1116 CA ARG A 67 16.333 7.219 9.592 1.00 34.42 C ATOM 1117 C ARG A 67 15.187 6.776 10.505 1.00 52.44 C ATOM 1118 O ARG A 67 14.137 7.417 10.544 1.00 63.22 O ATOM 1119 CB ARG A 67 16.140 6.600 8.206 1.00 33.24 C ATOM 1120 CG ARG A 67 16.614 7.554 7.109 1.00 52.53 C ATOM 1121 CD ARG A 67 15.463 8.429 6.608 1.00 15.10 C ATOM 1122 NE ARG A 67 15.978 9.462 5.682 1.00 14.41 N ATOM 1123 CZ ARG A 67 16.622 10.581 6.079 1.00 74.34 C ATOM 1124 NH1 ARG A 67 16.835 10.820 7.390 1.00 62.10 N ATOM 1125 NH2 ARG A 67 17.039 11.437 5.165 1.00 62.12 N ATOM 0 H ARG A 67 18.176 6.223 9.574 1.00 71.34 H new ATOM 0 HA ARG A 67 16.328 8.305 9.496 1.00 34.42 H new ATOM 0 HB2 ARG A 67 16.693 5.663 8.142 1.00 33.24 H new ATOM 0 HB3 ARG A 67 15.088 6.360 8.054 1.00 33.24 H new ATOM 0 HG2 ARG A 67 17.415 8.186 7.493 1.00 52.53 H new ATOM 0 HG3 ARG A 67 17.029 6.982 6.279 1.00 52.53 H new ATOM 0 HD2 ARG A 67 14.721 7.812 6.101 1.00 15.10 H new ATOM 0 HD3 ARG A 67 14.962 8.903 7.452 1.00 15.10 H new ATOM 0 HE ARG A 67 15.838 9.320 4.682 1.00 14.41 H new ATOM 0 HH11 ARG A 67 16.509 10.153 8.090 1.00 62.10 H new ATOM 0 HH12 ARG A 67 17.322 11.667 7.681 1.00 62.10 H new ATOM 0 HH21 ARG A 67 16.873 11.248 4.176 1.00 62.12 H new ATOM 0 HH22 ARG A 67 17.527 12.287 5.447 1.00 62.12 H new ATOM 1138 N ILE A 68 15.427 5.685 11.216 1.00 72.31 N ATOM 1139 CA ILE A 68 14.428 5.149 12.125 1.00 10.44 C ATOM 1140 C ILE A 68 14.873 5.398 13.568 1.00 13.01 C ATOM 1141 O ILE A 68 14.109 5.170 14.505 1.00 51.41 O ATOM 1142 CB ILE A 68 14.152 3.678 11.812 1.00 71.51 C ATOM 1143 CG1 ILE A 68 15.400 2.993 11.251 1.00 51.03 C ATOM 1144 CG2 ILE A 68 12.949 3.532 10.877 1.00 2.24 C ATOM 1145 CD1 ILE A 68 15.192 1.481 11.138 1.00 4.34 C ATOM 0 H ILE A 68 16.299 5.157 11.181 1.00 72.31 H new ATOM 0 HA ILE A 68 13.476 5.663 11.991 1.00 10.44 H new ATOM 0 HB ILE A 68 13.899 3.173 12.744 1.00 71.51 H new ATOM 0 HG12 ILE A 68 15.636 3.406 10.270 1.00 51.03 H new ATOM 0 HG13 ILE A 68 16.254 3.199 11.897 1.00 51.03 H new ATOM 0 HG21 ILE A 68 12.775 2.476 10.671 1.00 2.24 H new ATOM 0 HG22 ILE A 68 12.066 3.960 11.351 1.00 2.24 H new ATOM 0 HG23 ILE A 68 13.149 4.056 9.942 1.00 2.24 H new ATOM 0 HD11 ILE A 68 16.094 1.019 10.737 1.00 4.34 H new ATOM 0 HD12 ILE A 68 14.981 1.068 12.124 1.00 4.34 H new ATOM 0 HD13 ILE A 68 14.353 1.278 10.472 1.00 4.34 H new ATOM 1157 N MET A 69 16.107 5.862 13.702 1.00 74.15 N ATOM 1158 CA MET A 69 16.662 6.144 15.014 1.00 22.22 C ATOM 1159 C MET A 69 16.288 5.049 16.015 1.00 73.31 C ATOM 1160 O MET A 69 15.854 5.342 17.128 1.00 24.11 O ATOM 1161 CB MET A 69 16.137 7.492 15.512 1.00 21.11 C ATOM 1162 CG MET A 69 14.613 7.472 15.642 1.00 53.43 C ATOM 1163 SD MET A 69 14.054 8.936 16.498 1.00 60.25 S ATOM 1164 CE MET A 69 14.935 10.187 15.579 1.00 54.44 C ATOM 0 H MET A 69 16.738 6.050 12.923 1.00 74.15 H new ATOM 0 HA MET A 69 17.748 6.176 14.929 1.00 22.22 H new ATOM 0 HB2 MET A 69 16.585 7.727 16.478 1.00 21.11 H new ATOM 0 HB3 MET A 69 16.436 8.281 14.822 1.00 21.11 H new ATOM 0 HG2 MET A 69 14.156 7.422 14.654 1.00 53.43 H new ATOM 0 HG3 MET A 69 14.298 6.581 16.185 1.00 53.43 H new ATOM 0 HE1 MET A 69 14.385 11.127 15.625 1.00 54.44 H new ATOM 0 HE2 MET A 69 15.926 10.325 16.011 1.00 54.44 H new ATOM 0 HE3 MET A 69 15.033 9.874 14.540 1.00 54.44 H new ATOM 1174 N LEU A 70 16.469 3.809 15.583 1.00 54.55 N ATOM 1175 CA LEU A 70 16.155 2.669 16.427 1.00 41.03 C ATOM 1176 C LEU A 70 17.168 2.593 17.571 1.00 11.40 C ATOM 1177 O LEU A 70 18.283 3.098 17.452 1.00 1.31 O ATOM 1178 CB LEU A 70 16.075 1.390 15.591 1.00 33.10 C ATOM 1179 CG LEU A 70 14.667 0.922 15.214 1.00 5.31 C ATOM 1180 CD1 LEU A 70 13.726 2.113 15.026 1.00 10.52 C ATOM 1181 CD2 LEU A 70 14.702 0.019 13.980 1.00 62.12 C ATOM 0 H LEU A 70 16.829 3.569 14.659 1.00 54.55 H new ATOM 0 HA LEU A 70 15.171 2.789 16.879 1.00 41.03 H new ATOM 0 HB2 LEU A 70 16.643 1.543 14.674 1.00 33.10 H new ATOM 0 HB3 LEU A 70 16.568 0.588 16.141 1.00 33.10 H new ATOM 0 HG LEU A 70 14.273 0.327 16.038 1.00 5.31 H new ATOM 0 HD11 LEU A 70 12.732 1.753 14.759 1.00 10.52 H new ATOM 0 HD12 LEU A 70 13.668 2.681 15.954 1.00 10.52 H new ATOM 0 HD13 LEU A 70 14.106 2.755 14.231 1.00 10.52 H new ATOM 0 HD21 LEU A 70 13.689 -0.300 13.733 1.00 62.12 H new ATOM 0 HD22 LEU A 70 15.124 0.569 13.139 1.00 62.12 H new ATOM 0 HD23 LEU A 70 15.317 -0.856 14.187 1.00 62.12 H new ATOM 1193 N PRO A 71 16.732 1.942 18.682 1.00 32.13 N ATOM 1194 CA PRO A 71 17.588 1.794 19.847 1.00 34.41 C ATOM 1195 C PRO A 71 18.664 0.733 19.605 1.00 12.24 C ATOM 1196 O PRO A 71 18.624 0.020 18.604 1.00 10.11 O ATOM 1197 CB PRO A 71 16.645 1.435 20.985 1.00 43.24 C ATOM 1198 CG PRO A 71 15.367 0.941 20.327 1.00 51.31 C ATOM 1199 CD PRO A 71 15.417 1.331 18.859 1.00 44.43 C ATOM 0 HA PRO A 71 18.144 2.703 20.079 1.00 34.41 H new ATOM 0 HB2 PRO A 71 17.078 0.665 21.623 1.00 43.24 H new ATOM 0 HB3 PRO A 71 16.449 2.301 21.618 1.00 43.24 H new ATOM 0 HG2 PRO A 71 15.277 -0.140 20.432 1.00 51.31 H new ATOM 0 HG3 PRO A 71 14.494 1.382 20.809 1.00 51.31 H new ATOM 0 HD2 PRO A 71 15.295 0.461 18.214 1.00 44.43 H new ATOM 0 HD3 PRO A 71 14.619 2.029 18.607 1.00 44.43 H new ATOM 1207 N PRO A 72 19.625 0.661 20.565 1.00 61.12 N ATOM 1208 CA PRO A 72 20.710 -0.301 20.466 1.00 0.51 C ATOM 1209 C PRO A 72 20.223 -1.713 20.798 1.00 4.54 C ATOM 1210 O PRO A 72 21.003 -2.664 20.773 1.00 51.32 O ATOM 1211 CB PRO A 72 21.772 0.204 21.430 1.00 54.12 C ATOM 1212 CG PRO A 72 21.059 1.162 22.371 1.00 70.13 C ATOM 1213 CD PRO A 72 19.704 1.489 21.764 1.00 3.43 C ATOM 0 HA PRO A 72 21.113 -0.379 19.456 1.00 0.51 H new ATOM 0 HB2 PRO A 72 22.223 -0.621 21.981 1.00 54.12 H new ATOM 0 HB3 PRO A 72 22.577 0.708 20.895 1.00 54.12 H new ATOM 0 HG2 PRO A 72 20.937 0.710 23.356 1.00 70.13 H new ATOM 0 HG3 PRO A 72 21.646 2.071 22.507 1.00 70.13 H new ATOM 0 HD2 PRO A 72 18.894 1.260 22.457 1.00 3.43 H new ATOM 0 HD3 PRO A 72 19.625 2.548 21.520 1.00 3.43 H new ATOM 1221 N GLU A 73 18.937 -1.804 21.102 1.00 21.45 N ATOM 1222 CA GLU A 73 18.337 -3.084 21.439 1.00 22.32 C ATOM 1223 C GLU A 73 17.712 -3.721 20.196 1.00 2.03 C ATOM 1224 O GLU A 73 17.825 -4.928 19.990 1.00 74.32 O ATOM 1225 CB GLU A 73 17.302 -2.928 22.555 1.00 51.03 C ATOM 1226 CG GLU A 73 17.750 -1.881 23.576 1.00 2.22 C ATOM 1227 CD GLU A 73 16.720 -1.732 24.697 1.00 15.02 C ATOM 1228 OE1 GLU A 73 15.846 -0.855 24.623 1.00 32.25 O ATOM 1229 OE2 GLU A 73 16.848 -2.568 25.671 1.00 61.53 O ATOM 0 H GLU A 73 18.294 -1.013 21.122 1.00 21.45 H new ATOM 0 HA GLU A 73 19.122 -3.745 21.807 1.00 22.32 H new ATOM 0 HB2 GLU A 73 16.342 -2.637 22.128 1.00 51.03 H new ATOM 0 HB3 GLU A 73 17.152 -3.886 23.053 1.00 51.03 H new ATOM 0 HG2 GLU A 73 18.713 -2.168 23.998 1.00 2.22 H new ATOM 0 HG3 GLU A 73 17.893 -0.921 23.079 1.00 2.22 H new ATOM 1237 N LYS A 74 17.067 -2.880 19.401 1.00 61.52 N ATOM 1238 CA LYS A 74 16.424 -3.346 18.184 1.00 61.02 C ATOM 1239 C LYS A 74 17.439 -4.119 17.339 1.00 4.42 C ATOM 1240 O LYS A 74 18.606 -4.229 17.712 1.00 22.32 O ATOM 1241 CB LYS A 74 15.770 -2.178 17.443 1.00 33.11 C ATOM 1242 CG LYS A 74 14.274 -2.101 17.754 1.00 14.22 C ATOM 1243 CD LYS A 74 13.439 -2.480 16.530 1.00 74.25 C ATOM 1244 CE LYS A 74 12.883 -3.900 16.663 1.00 1.50 C ATOM 1245 NZ LYS A 74 12.172 -4.059 17.951 1.00 3.24 N ATOM 0 H LYS A 74 16.976 -1.879 19.576 1.00 61.52 H new ATOM 0 HA LYS A 74 15.615 -4.037 18.421 1.00 61.02 H new ATOM 0 HB2 LYS A 74 16.253 -1.244 17.730 1.00 33.11 H new ATOM 0 HB3 LYS A 74 15.916 -2.296 16.369 1.00 33.11 H new ATOM 0 HG2 LYS A 74 14.036 -2.769 18.582 1.00 14.22 H new ATOM 0 HG3 LYS A 74 14.017 -1.092 18.075 1.00 14.22 H new ATOM 0 HD2 LYS A 74 12.617 -1.773 16.413 1.00 74.25 H new ATOM 0 HD3 LYS A 74 14.051 -2.408 15.631 1.00 74.25 H new ATOM 0 HE2 LYS A 74 12.203 -4.110 15.837 1.00 1.50 H new ATOM 0 HE3 LYS A 74 13.696 -4.623 16.598 1.00 1.50 H new ATOM 0 HZ1 LYS A 74 11.330 -4.653 17.812 1.00 3.24 H new ATOM 0 HZ2 LYS A 74 12.804 -4.510 18.643 1.00 3.24 H new ATOM 0 HZ3 LYS A 74 11.882 -3.125 18.305 1.00 3.24 H new ATOM 1258 N ALA A 75 16.958 -4.633 16.217 1.00 2.10 N ATOM 1259 CA ALA A 75 17.809 -5.392 15.316 1.00 2.14 C ATOM 1260 C ALA A 75 17.251 -5.300 13.895 1.00 53.50 C ATOM 1261 O ALA A 75 16.239 -5.923 13.580 1.00 35.52 O ATOM 1262 CB ALA A 75 17.914 -6.837 15.809 1.00 50.40 C ATOM 0 H ALA A 75 15.990 -4.539 15.911 1.00 2.10 H new ATOM 0 HA ALA A 75 18.817 -4.978 15.301 1.00 2.14 H new ATOM 0 HB1 ALA A 75 18.552 -7.406 15.133 1.00 50.40 H new ATOM 0 HB2 ALA A 75 18.344 -6.849 16.811 1.00 50.40 H new ATOM 0 HB3 ALA A 75 16.921 -7.286 15.835 1.00 50.40 H new ATOM 1268 N ILE A 76 17.935 -4.516 13.074 1.00 31.14 N ATOM 1269 CA ILE A 76 17.520 -4.334 11.694 1.00 71.02 C ATOM 1270 C ILE A 76 18.528 -5.018 10.768 1.00 31.23 C ATOM 1271 O ILE A 76 19.654 -5.302 11.173 1.00 62.31 O ATOM 1272 CB ILE A 76 17.313 -2.849 11.388 1.00 62.32 C ATOM 1273 CG1 ILE A 76 16.195 -2.651 10.362 1.00 23.21 C ATOM 1274 CG2 ILE A 76 18.622 -2.194 10.943 1.00 42.21 C ATOM 1275 CD1 ILE A 76 15.933 -1.164 10.117 1.00 45.13 C ATOM 0 H ILE A 76 18.774 -4.000 13.339 1.00 31.14 H new ATOM 0 HA ILE A 76 16.554 -4.809 11.521 1.00 71.02 H new ATOM 0 HB ILE A 76 16.999 -2.351 12.306 1.00 62.32 H new ATOM 0 HG12 ILE A 76 16.467 -3.135 9.424 1.00 23.21 H new ATOM 0 HG13 ILE A 76 15.283 -3.131 10.716 1.00 23.21 H new ATOM 0 HG21 ILE A 76 18.447 -1.139 10.732 1.00 42.21 H new ATOM 0 HG22 ILE A 76 19.364 -2.287 11.736 1.00 42.21 H new ATOM 0 HG23 ILE A 76 18.989 -2.688 10.043 1.00 42.21 H new ATOM 0 HD11 ILE A 76 15.134 -1.051 9.384 1.00 45.13 H new ATOM 0 HD12 ILE A 76 15.638 -0.688 11.052 1.00 45.13 H new ATOM 0 HD13 ILE A 76 16.840 -0.692 9.740 1.00 45.13 H new ATOM 1287 N PHE A 77 18.087 -5.263 9.543 1.00 12.02 N ATOM 1288 CA PHE A 77 18.936 -5.908 8.557 1.00 65.42 C ATOM 1289 C PHE A 77 18.563 -5.469 7.140 1.00 72.14 C ATOM 1290 O PHE A 77 17.392 -5.230 6.848 1.00 32.54 O ATOM 1291 CB PHE A 77 18.708 -7.416 8.688 1.00 42.44 C ATOM 1292 CG PHE A 77 18.895 -7.952 10.108 1.00 22.23 C ATOM 1293 CD1 PHE A 77 17.866 -7.899 10.996 1.00 22.50 C ATOM 1294 CD2 PHE A 77 20.090 -8.482 10.483 1.00 3.12 C ATOM 1295 CE1 PHE A 77 18.040 -8.397 12.314 1.00 32.44 C ATOM 1296 CE2 PHE A 77 20.264 -8.980 11.802 1.00 51.13 C ATOM 1297 CZ PHE A 77 19.235 -8.927 12.689 1.00 31.15 C ATOM 0 H PHE A 77 17.152 -5.026 9.211 1.00 12.02 H new ATOM 0 HA PHE A 77 19.978 -5.637 8.729 1.00 65.42 H new ATOM 0 HB2 PHE A 77 17.698 -7.651 8.352 1.00 42.44 H new ATOM 0 HB3 PHE A 77 19.395 -7.936 8.021 1.00 42.44 H new ATOM 0 HD1 PHE A 77 16.917 -7.478 10.698 1.00 22.50 H new ATOM 0 HD2 PHE A 77 20.907 -8.524 9.778 1.00 3.12 H new ATOM 0 HE1 PHE A 77 17.223 -8.355 13.019 1.00 32.44 H new ATOM 0 HE2 PHE A 77 21.213 -9.400 12.100 1.00 51.13 H new ATOM 0 HZ PHE A 77 19.367 -9.306 13.692 1.00 31.15 H new ATOM 1307 N ILE A 78 19.580 -5.376 6.296 1.00 50.41 N ATOM 1308 CA ILE A 78 19.373 -4.969 4.916 1.00 20.23 C ATOM 1309 C ILE A 78 19.403 -6.205 4.015 1.00 32.31 C ATOM 1310 O ILE A 78 20.225 -7.100 4.209 1.00 14.30 O ATOM 1311 CB ILE A 78 20.385 -3.893 4.517 1.00 14.23 C ATOM 1312 CG1 ILE A 78 20.777 -3.036 5.722 1.00 1.34 C ATOM 1313 CG2 ILE A 78 19.855 -3.045 3.359 1.00 12.01 C ATOM 1314 CD1 ILE A 78 19.548 -2.372 6.347 1.00 41.45 C ATOM 0 H ILE A 78 20.550 -5.575 6.541 1.00 50.41 H new ATOM 0 HA ILE A 78 18.391 -4.510 4.797 1.00 20.23 H new ATOM 0 HB ILE A 78 21.290 -4.388 4.166 1.00 14.23 H new ATOM 0 HG12 ILE A 78 21.277 -3.656 6.466 1.00 1.34 H new ATOM 0 HG13 ILE A 78 21.490 -2.272 5.412 1.00 1.34 H new ATOM 0 HG21 ILE A 78 20.593 -2.288 3.095 1.00 12.01 H new ATOM 0 HG22 ILE A 78 19.666 -3.684 2.497 1.00 12.01 H new ATOM 0 HG23 ILE A 78 18.927 -2.558 3.660 1.00 12.01 H new ATOM 0 HD11 ILE A 78 19.855 -1.769 7.201 1.00 41.45 H new ATOM 0 HD12 ILE A 78 19.064 -1.734 5.608 1.00 41.45 H new ATOM 0 HD13 ILE A 78 18.848 -3.140 6.678 1.00 41.45 H new ATOM 1326 N PHE A 79 18.496 -6.216 3.049 1.00 42.21 N ATOM 1327 CA PHE A 79 18.408 -7.327 2.117 1.00 22.33 C ATOM 1328 C PHE A 79 18.354 -6.828 0.672 1.00 71.41 C ATOM 1329 O PHE A 79 17.448 -6.082 0.303 1.00 64.34 O ATOM 1330 CB PHE A 79 17.112 -8.076 2.435 1.00 42.40 C ATOM 1331 CG PHE A 79 17.178 -8.920 3.709 1.00 73.40 C ATOM 1332 CD1 PHE A 79 16.831 -8.375 4.905 1.00 1.44 C ATOM 1333 CD2 PHE A 79 17.583 -10.217 3.645 1.00 75.21 C ATOM 1334 CE1 PHE A 79 16.892 -9.159 6.088 1.00 52.32 C ATOM 1335 CE2 PHE A 79 17.643 -11.001 4.827 1.00 23.32 C ATOM 1336 CZ PHE A 79 17.297 -10.456 6.024 1.00 54.53 C ATOM 0 H PHE A 79 17.815 -5.473 2.892 1.00 42.21 H new ATOM 0 HA PHE A 79 19.284 -7.968 2.219 1.00 22.33 H new ATOM 0 HB2 PHE A 79 16.301 -7.354 2.531 1.00 42.40 H new ATOM 0 HB3 PHE A 79 16.863 -8.724 1.595 1.00 42.40 H new ATOM 0 HD1 PHE A 79 16.509 -7.345 4.956 1.00 1.44 H new ATOM 0 HD2 PHE A 79 17.859 -10.650 2.695 1.00 75.21 H new ATOM 0 HE1 PHE A 79 16.617 -8.725 7.038 1.00 52.32 H new ATOM 0 HE2 PHE A 79 17.964 -12.031 4.776 1.00 23.32 H new ATOM 0 HZ PHE A 79 17.344 -11.053 6.923 1.00 54.53 H new ATOM 1346 N VAL A 80 19.335 -7.260 -0.107 1.00 31.42 N ATOM 1347 CA VAL A 80 19.410 -6.867 -1.504 1.00 3.14 C ATOM 1348 C VAL A 80 19.130 -8.084 -2.388 1.00 12.34 C ATOM 1349 O VAL A 80 19.724 -9.144 -2.198 1.00 5.41 O ATOM 1350 CB VAL A 80 20.766 -6.218 -1.792 1.00 54.00 C ATOM 1351 CG1 VAL A 80 21.820 -7.276 -2.123 1.00 43.44 C ATOM 1352 CG2 VAL A 80 20.651 -5.186 -2.916 1.00 63.41 C ATOM 0 H VAL A 80 20.085 -7.878 0.203 1.00 31.42 H new ATOM 0 HA VAL A 80 18.651 -6.119 -1.732 1.00 3.14 H new ATOM 0 HB VAL A 80 21.087 -5.696 -0.890 1.00 54.00 H new ATOM 0 HG11 VAL A 80 22.774 -6.789 -2.324 1.00 43.44 H new ATOM 0 HG12 VAL A 80 21.930 -7.956 -1.279 1.00 43.44 H new ATOM 0 HG13 VAL A 80 21.508 -7.838 -3.003 1.00 43.44 H new ATOM 0 HG21 VAL A 80 21.628 -4.739 -3.101 1.00 63.41 H new ATOM 0 HG22 VAL A 80 20.297 -5.675 -3.824 1.00 63.41 H new ATOM 0 HG23 VAL A 80 19.946 -4.408 -2.625 1.00 63.41 H new ATOM 1362 N ASN A 81 18.224 -7.891 -3.335 1.00 13.23 N ATOM 1363 CA ASN A 81 17.857 -8.959 -4.249 1.00 21.34 C ATOM 1364 C ASN A 81 17.613 -10.243 -3.453 1.00 73.33 C ATOM 1365 O ASN A 81 18.348 -11.219 -3.601 1.00 14.40 O ATOM 1366 CB ASN A 81 18.977 -9.232 -5.254 1.00 61.25 C ATOM 1367 CG ASN A 81 19.198 -8.026 -6.170 1.00 21.24 C ATOM 1368 OD1 ASN A 81 19.406 -6.885 -5.519 1.00 23.45 O flip ATOM 1369 ND2 ASN A 81 19.181 -8.125 -7.386 1.00 52.35 N flip ATOM 0 H ASN A 81 17.733 -7.010 -3.489 1.00 13.23 H new ATOM 0 HA ASN A 81 16.959 -8.652 -4.785 1.00 21.34 H new ATOM 0 HB2 ASN A 81 19.900 -9.463 -4.722 1.00 61.25 H new ATOM 0 HB3 ASN A 81 18.727 -10.107 -5.853 1.00 61.25 H new ATOM 0 HD21 ASN A 81 19.016 -9.032 -7.822 1.00 52.35 H new ATOM 0 HD22 ASN A 81 19.332 -7.300 -7.967 1.00 52.35 H new ATOM 1376 N ASP A 82 16.578 -10.202 -2.627 1.00 53.22 N ATOM 1377 CA ASP A 82 16.227 -11.350 -1.808 1.00 42.24 C ATOM 1378 C ASP A 82 17.505 -11.997 -1.271 1.00 4.31 C ATOM 1379 O ASP A 82 17.592 -13.220 -1.172 1.00 43.34 O ATOM 1380 CB ASP A 82 15.474 -12.400 -2.626 1.00 74.34 C ATOM 1381 CG ASP A 82 14.079 -11.978 -3.094 1.00 4.21 C ATOM 1382 OD1 ASP A 82 13.061 -12.504 -2.622 1.00 73.52 O ATOM 1383 OD2 ASP A 82 14.063 -11.054 -3.994 1.00 40.11 O ATOM 0 H ASP A 82 15.971 -9.391 -2.507 1.00 53.22 H new ATOM 0 HA ASP A 82 15.591 -11.002 -0.994 1.00 42.24 H new ATOM 0 HB2 ASP A 82 16.072 -12.655 -3.501 1.00 74.34 H new ATOM 0 HB3 ASP A 82 15.381 -13.307 -2.028 1.00 74.34 H new ATOM 1389 N THR A 83 18.466 -11.147 -0.938 1.00 15.15 N ATOM 1390 CA THR A 83 19.735 -11.620 -0.413 1.00 20.44 C ATOM 1391 C THR A 83 20.196 -10.736 0.748 1.00 54.24 C ATOM 1392 O THR A 83 19.516 -9.777 1.109 1.00 11.44 O ATOM 1393 CB THR A 83 20.735 -11.674 -1.570 1.00 35.23 C ATOM 1394 OG1 THR A 83 21.363 -12.945 -1.427 1.00 75.33 O ATOM 1395 CG2 THR A 83 21.879 -10.672 -1.402 1.00 72.41 C ATOM 0 H THR A 83 18.391 -10.133 -1.022 1.00 15.15 H new ATOM 0 HA THR A 83 19.641 -12.624 0.002 1.00 20.44 H new ATOM 0 HB THR A 83 20.216 -11.478 -2.508 1.00 35.23 H new ATOM 0 HG1 THR A 83 22.026 -13.064 -2.139 1.00 75.33 H new ATOM 0 HG21 THR A 83 22.560 -10.752 -2.250 1.00 72.41 H new ATOM 0 HG22 THR A 83 21.474 -9.661 -1.356 1.00 72.41 H new ATOM 0 HG23 THR A 83 22.420 -10.888 -0.481 1.00 72.41 H new ATOM 1403 N LEU A 84 21.347 -11.090 1.299 1.00 43.14 N ATOM 1404 CA LEU A 84 21.907 -10.340 2.411 1.00 72.25 C ATOM 1405 C LEU A 84 23.408 -10.150 2.187 1.00 3.52 C ATOM 1406 O LEU A 84 24.199 -11.054 2.451 1.00 34.31 O ATOM 1407 CB LEU A 84 21.564 -11.017 3.739 1.00 13.54 C ATOM 1408 CG LEU A 84 21.606 -10.120 4.979 1.00 65.33 C ATOM 1409 CD1 LEU A 84 20.237 -9.494 5.250 1.00 21.32 C ATOM 1410 CD2 LEU A 84 22.137 -10.887 6.192 1.00 73.22 C ATOM 0 H LEU A 84 21.908 -11.886 0.996 1.00 43.14 H new ATOM 0 HA LEU A 84 21.464 -9.346 2.463 1.00 72.25 H new ATOM 0 HB2 LEU A 84 20.565 -11.446 3.658 1.00 13.54 H new ATOM 0 HB3 LEU A 84 22.255 -11.846 3.891 1.00 13.54 H new ATOM 0 HG LEU A 84 22.300 -9.302 4.786 1.00 65.33 H new ATOM 0 HD11 LEU A 84 20.295 -8.862 6.136 1.00 21.32 H new ATOM 0 HD12 LEU A 84 19.937 -8.891 4.393 1.00 21.32 H new ATOM 0 HD13 LEU A 84 19.502 -10.282 5.414 1.00 21.32 H new ATOM 0 HD21 LEU A 84 22.157 -10.227 7.059 1.00 73.22 H new ATOM 0 HD22 LEU A 84 21.487 -11.738 6.398 1.00 73.22 H new ATOM 0 HD23 LEU A 84 23.146 -11.243 5.984 1.00 73.22 H new ATOM 1422 N PRO A 85 23.766 -8.935 1.690 1.00 32.13 N ATOM 1423 CA PRO A 85 25.158 -8.614 1.429 1.00 65.15 C ATOM 1424 C PRO A 85 25.913 -8.342 2.732 1.00 52.35 C ATOM 1425 O PRO A 85 25.300 -8.077 3.764 1.00 34.44 O ATOM 1426 CB PRO A 85 25.117 -7.409 0.503 1.00 22.10 C ATOM 1427 CG PRO A 85 23.726 -6.816 0.653 1.00 74.03 C ATOM 1428 CD PRO A 85 22.857 -7.839 1.366 1.00 61.41 C ATOM 0 HA PRO A 85 25.699 -9.438 0.965 1.00 65.15 H new ATOM 0 HB2 PRO A 85 25.883 -6.682 0.774 1.00 22.10 H new ATOM 0 HB3 PRO A 85 25.307 -7.703 -0.529 1.00 22.10 H new ATOM 0 HG2 PRO A 85 23.766 -5.887 1.222 1.00 74.03 H new ATOM 0 HG3 PRO A 85 23.307 -6.574 -0.324 1.00 74.03 H new ATOM 0 HD2 PRO A 85 22.407 -7.418 2.265 1.00 61.41 H new ATOM 0 HD3 PRO A 85 22.040 -8.177 0.729 1.00 61.41 H new ATOM 1436 N PRO A 86 27.267 -8.417 2.638 1.00 65.40 N ATOM 1437 CA PRO A 86 28.112 -8.182 3.797 1.00 50.14 C ATOM 1438 C PRO A 86 28.184 -6.690 4.129 1.00 74.11 C ATOM 1439 O PRO A 86 27.803 -5.850 3.315 1.00 64.23 O ATOM 1440 CB PRO A 86 29.462 -8.773 3.426 1.00 22.51 C ATOM 1441 CG PRO A 86 29.460 -8.901 1.911 1.00 0.44 C ATOM 1442 CD PRO A 86 28.028 -8.728 1.431 1.00 3.12 C ATOM 0 HA PRO A 86 27.723 -8.648 4.702 1.00 50.14 H new ATOM 0 HB2 PRO A 86 30.275 -8.130 3.762 1.00 22.51 H new ATOM 0 HB3 PRO A 86 29.607 -9.744 3.900 1.00 22.51 H new ATOM 0 HG2 PRO A 86 30.107 -8.146 1.463 1.00 0.44 H new ATOM 0 HG3 PRO A 86 29.849 -9.874 1.609 1.00 0.44 H new ATOM 0 HD2 PRO A 86 27.951 -7.926 0.697 1.00 3.12 H new ATOM 0 HD3 PRO A 86 27.658 -9.635 0.953 1.00 3.12 H new ATOM 1450 N THR A 87 28.674 -6.406 5.327 1.00 71.24 N ATOM 1451 CA THR A 87 28.800 -5.030 5.777 1.00 64.44 C ATOM 1452 C THR A 87 30.111 -4.423 5.272 1.00 55.42 C ATOM 1453 O THR A 87 30.436 -3.282 5.597 1.00 53.31 O ATOM 1454 CB THR A 87 28.672 -5.018 7.301 1.00 4.11 C ATOM 1455 OG1 THR A 87 29.193 -3.748 7.683 1.00 44.32 O ATOM 1456 CG2 THR A 87 29.609 -6.023 7.976 1.00 53.44 C ATOM 0 H THR A 87 28.988 -7.105 6.000 1.00 71.24 H new ATOM 0 HA THR A 87 28.008 -4.404 5.365 1.00 64.44 H new ATOM 0 HB THR A 87 27.642 -5.238 7.580 1.00 4.11 H new ATOM 0 HG1 THR A 87 30.063 -3.608 7.253 1.00 44.32 H new ATOM 0 HG21 THR A 87 29.478 -5.973 9.057 1.00 53.44 H new ATOM 0 HG22 THR A 87 29.375 -7.029 7.628 1.00 53.44 H new ATOM 0 HG23 THR A 87 30.642 -5.783 7.724 1.00 53.44 H new ATOM 1464 N ALA A 88 30.827 -5.212 4.485 1.00 3.22 N ATOM 1465 CA ALA A 88 32.095 -4.766 3.932 1.00 11.22 C ATOM 1466 C ALA A 88 31.930 -4.507 2.433 1.00 33.42 C ATOM 1467 O ALA A 88 32.634 -3.676 1.862 1.00 74.23 O ATOM 1468 CB ALA A 88 33.176 -5.807 4.229 1.00 40.03 C ATOM 0 H ALA A 88 30.554 -6.157 4.217 1.00 3.22 H new ATOM 0 HA ALA A 88 32.408 -3.830 4.395 1.00 11.22 H new ATOM 0 HB1 ALA A 88 34.127 -5.473 3.814 1.00 40.03 H new ATOM 0 HB2 ALA A 88 33.274 -5.932 5.307 1.00 40.03 H new ATOM 0 HB3 ALA A 88 32.898 -6.759 3.777 1.00 40.03 H new ATOM 1474 N ALA A 89 30.995 -5.235 1.839 1.00 24.13 N ATOM 1475 CA ALA A 89 30.729 -5.095 0.418 1.00 72.12 C ATOM 1476 C ALA A 89 30.696 -3.610 0.053 1.00 12.53 C ATOM 1477 O ALA A 89 29.970 -2.831 0.670 1.00 32.41 O ATOM 1478 CB ALA A 89 29.421 -5.810 0.071 1.00 42.24 C ATOM 0 H ALA A 89 30.413 -5.923 2.316 1.00 24.13 H new ATOM 0 HA ALA A 89 31.521 -5.561 -0.168 1.00 72.12 H new ATOM 0 HB1 ALA A 89 29.221 -5.705 -0.995 1.00 42.24 H new ATOM 0 HB2 ALA A 89 29.507 -6.867 0.322 1.00 42.24 H new ATOM 0 HB3 ALA A 89 28.603 -5.367 0.639 1.00 42.24 H new ATOM 1484 N LEU A 90 31.491 -3.261 -0.947 1.00 41.33 N ATOM 1485 CA LEU A 90 31.562 -1.882 -1.401 1.00 62.22 C ATOM 1486 C LEU A 90 30.316 -1.557 -2.228 1.00 23.14 C ATOM 1487 O LEU A 90 29.991 -2.272 -3.174 1.00 34.32 O ATOM 1488 CB LEU A 90 32.876 -1.630 -2.144 1.00 11.33 C ATOM 1489 CG LEU A 90 33.569 -0.299 -1.846 1.00 45.20 C ATOM 1490 CD1 LEU A 90 32.563 0.749 -1.366 1.00 71.25 C ATOM 1491 CD2 LEU A 90 34.717 -0.489 -0.852 1.00 13.24 C ATOM 0 H LEU A 90 32.092 -3.909 -1.456 1.00 41.33 H new ATOM 0 HA LEU A 90 31.567 -1.200 -0.550 1.00 62.22 H new ATOM 0 HB2 LEU A 90 33.567 -2.438 -1.905 1.00 11.33 H new ATOM 0 HB3 LEU A 90 32.681 -1.684 -3.215 1.00 11.33 H new ATOM 0 HG LEU A 90 34.004 0.074 -2.773 1.00 45.20 H new ATOM 0 HD11 LEU A 90 33.082 1.685 -1.161 1.00 71.25 H new ATOM 0 HD12 LEU A 90 31.811 0.912 -2.138 1.00 71.25 H new ATOM 0 HD13 LEU A 90 32.077 0.397 -0.456 1.00 71.25 H new ATOM 0 HD21 LEU A 90 35.193 0.472 -0.657 1.00 13.24 H new ATOM 0 HD22 LEU A 90 34.327 -0.896 0.081 1.00 13.24 H new ATOM 0 HD23 LEU A 90 35.450 -1.179 -1.270 1.00 13.24 H new ATOM 1503 N MET A 91 29.653 -0.477 -1.840 1.00 23.51 N ATOM 1504 CA MET A 91 28.450 -0.049 -2.533 1.00 44.12 C ATOM 1505 C MET A 91 28.724 0.171 -4.022 1.00 64.44 C ATOM 1506 O MET A 91 27.795 0.233 -4.826 1.00 30.04 O ATOM 1507 CB MET A 91 27.938 1.252 -1.911 1.00 24.20 C ATOM 1508 CG MET A 91 27.563 1.046 -0.442 1.00 2.21 C ATOM 1509 SD MET A 91 26.341 -0.247 -0.299 1.00 52.52 S ATOM 1510 CE MET A 91 25.001 0.491 -1.219 1.00 53.20 C ATOM 0 H MET A 91 29.926 0.114 -1.055 1.00 23.51 H new ATOM 0 HA MET A 91 27.698 -0.831 -2.433 1.00 44.12 H new ATOM 0 HB2 MET A 91 28.704 2.023 -1.990 1.00 24.20 H new ATOM 0 HB3 MET A 91 27.070 1.607 -2.466 1.00 24.20 H new ATOM 0 HG2 MET A 91 28.450 0.785 0.135 1.00 2.21 H new ATOM 0 HG3 MET A 91 27.173 1.974 -0.024 1.00 2.21 H new ATOM 0 HE1 MET A 91 24.057 0.045 -0.907 1.00 53.20 H new ATOM 0 HE2 MET A 91 24.977 1.564 -1.029 1.00 53.20 H new ATOM 0 HE3 MET A 91 25.151 0.315 -2.284 1.00 53.20 H new ATOM 1520 N SER A 92 30.004 0.282 -4.346 1.00 24.23 N ATOM 1521 CA SER A 92 30.413 0.493 -5.724 1.00 54.02 C ATOM 1522 C SER A 92 30.277 -0.809 -6.515 1.00 72.45 C ATOM 1523 O SER A 92 29.719 -0.819 -7.612 1.00 3.41 O ATOM 1524 CB SER A 92 31.850 1.013 -5.800 1.00 34.44 C ATOM 1525 OG SER A 92 32.729 0.276 -4.954 1.00 13.02 O ATOM 0 H SER A 92 30.772 0.230 -3.677 1.00 24.23 H new ATOM 0 HA SER A 92 29.760 1.247 -6.162 1.00 54.02 H new ATOM 0 HB2 SER A 92 32.203 0.954 -6.830 1.00 34.44 H new ATOM 0 HB3 SER A 92 31.871 2.065 -5.516 1.00 34.44 H new ATOM 0 HG SER A 92 33.637 0.637 -5.032 1.00 13.02 H new ATOM 1531 N ALA A 93 30.796 -1.878 -5.929 1.00 0.24 N ATOM 1532 CA ALA A 93 30.740 -3.183 -6.565 1.00 51.21 C ATOM 1533 C ALA A 93 29.317 -3.735 -6.461 1.00 31.30 C ATOM 1534 O ALA A 93 28.871 -4.480 -7.332 1.00 61.15 O ATOM 1535 CB ALA A 93 31.774 -4.109 -5.922 1.00 73.51 C ATOM 0 H ALA A 93 31.258 -1.867 -5.020 1.00 0.24 H new ATOM 0 HA ALA A 93 30.987 -3.105 -7.624 1.00 51.21 H new ATOM 0 HB1 ALA A 93 31.732 -5.088 -6.399 1.00 73.51 H new ATOM 0 HB2 ALA A 93 32.770 -3.686 -6.049 1.00 73.51 H new ATOM 0 HB3 ALA A 93 31.557 -4.214 -4.859 1.00 73.51 H new ATOM 1541 N ILE A 94 28.643 -3.349 -5.387 1.00 65.13 N ATOM 1542 CA ILE A 94 27.280 -3.797 -5.158 1.00 2.40 C ATOM 1543 C ILE A 94 26.362 -3.184 -6.217 1.00 51.42 C ATOM 1544 O ILE A 94 25.736 -3.904 -6.993 1.00 63.14 O ATOM 1545 CB ILE A 94 26.851 -3.492 -3.721 1.00 71.13 C ATOM 1546 CG1 ILE A 94 27.534 -4.439 -2.733 1.00 31.34 C ATOM 1547 CG2 ILE A 94 25.327 -3.524 -3.586 1.00 42.40 C ATOM 1548 CD1 ILE A 94 27.027 -5.872 -2.907 1.00 63.42 C ATOM 0 H ILE A 94 29.016 -2.731 -4.666 1.00 65.13 H new ATOM 0 HA ILE A 94 27.211 -4.880 -5.264 1.00 2.40 H new ATOM 0 HB ILE A 94 27.175 -2.481 -3.474 1.00 71.13 H new ATOM 0 HG12 ILE A 94 28.613 -4.411 -2.883 1.00 31.34 H new ATOM 0 HG13 ILE A 94 27.345 -4.104 -1.713 1.00 31.34 H new ATOM 0 HG21 ILE A 94 25.048 -3.304 -2.555 1.00 42.40 H new ATOM 0 HG22 ILE A 94 24.887 -2.778 -4.248 1.00 42.40 H new ATOM 0 HG23 ILE A 94 24.958 -4.513 -3.858 1.00 42.40 H new ATOM 0 HD11 ILE A 94 27.529 -6.525 -2.193 1.00 63.42 H new ATOM 0 HD12 ILE A 94 25.952 -5.901 -2.732 1.00 63.42 H new ATOM 0 HD13 ILE A 94 27.239 -6.212 -3.921 1.00 63.42 H new ATOM 1560 N TYR A 95 26.310 -1.860 -6.215 1.00 0.21 N ATOM 1561 CA TYR A 95 25.479 -1.142 -7.166 1.00 54.30 C ATOM 1562 C TYR A 95 25.844 -1.514 -8.604 1.00 42.04 C ATOM 1563 O TYR A 95 25.052 -1.309 -9.523 1.00 21.12 O ATOM 1564 CB TYR A 95 25.773 0.343 -6.946 1.00 15.51 C ATOM 1565 CG TYR A 95 25.322 1.244 -8.097 1.00 53.43 C ATOM 1566 CD1 TYR A 95 25.977 1.193 -9.311 1.00 3.53 C ATOM 1567 CD2 TYR A 95 24.259 2.108 -7.923 1.00 3.03 C ATOM 1568 CE1 TYR A 95 25.553 2.041 -10.394 1.00 51.45 C ATOM 1569 CE2 TYR A 95 23.835 2.956 -9.006 1.00 60.15 C ATOM 1570 CZ TYR A 95 24.503 2.881 -10.189 1.00 32.22 C ATOM 1571 OH TYR A 95 24.102 3.682 -11.212 1.00 60.44 O ATOM 0 H TYR A 95 26.830 -1.266 -5.570 1.00 0.21 H new ATOM 0 HA TYR A 95 24.427 -1.387 -7.017 1.00 54.30 H new ATOM 0 HB2 TYR A 95 25.281 0.668 -6.029 1.00 15.51 H new ATOM 0 HB3 TYR A 95 26.845 0.472 -6.796 1.00 15.51 H new ATOM 0 HD1 TYR A 95 26.808 0.517 -9.448 1.00 3.53 H new ATOM 0 HD2 TYR A 95 23.745 2.148 -6.974 1.00 3.03 H new ATOM 0 HE1 TYR A 95 26.058 2.011 -11.348 1.00 51.45 H new ATOM 0 HE2 TYR A 95 23.005 3.636 -8.882 1.00 60.15 H new ATOM 0 HH TYR A 95 23.341 4.227 -10.922 1.00 60.44 H new ATOM 1581 N GLN A 96 27.045 -2.054 -8.755 1.00 75.41 N ATOM 1582 CA GLN A 96 27.525 -2.457 -10.066 1.00 73.10 C ATOM 1583 C GLN A 96 26.748 -3.677 -10.564 1.00 73.32 C ATOM 1584 O GLN A 96 26.408 -3.762 -11.743 1.00 71.23 O ATOM 1585 CB GLN A 96 29.028 -2.739 -10.036 1.00 62.23 C ATOM 1586 CG GLN A 96 29.820 -1.551 -10.587 1.00 71.52 C ATOM 1587 CD GLN A 96 31.217 -1.488 -9.966 1.00 14.03 C ATOM 1588 OE1 GLN A 96 31.642 -0.476 -9.433 1.00 52.01 O ATOM 1589 NE2 GLN A 96 31.904 -2.622 -10.063 1.00 20.42 N ATOM 0 H GLN A 96 27.700 -2.222 -7.991 1.00 75.41 H new ATOM 0 HA GLN A 96 27.357 -1.635 -10.762 1.00 73.10 H new ATOM 0 HB2 GLN A 96 29.342 -2.947 -9.013 1.00 62.23 H new ATOM 0 HB3 GLN A 96 29.246 -3.630 -10.624 1.00 62.23 H new ATOM 0 HG2 GLN A 96 29.903 -1.636 -11.670 1.00 71.52 H new ATOM 0 HG3 GLN A 96 29.284 -0.625 -10.380 1.00 71.52 H new ATOM 0 HE21 GLN A 96 31.488 -3.432 -10.522 1.00 20.42 H new ATOM 0 HE22 GLN A 96 32.847 -2.682 -9.678 1.00 20.42 H new ATOM 1598 N GLU A 97 26.489 -4.592 -9.641 1.00 0.41 N ATOM 1599 CA GLU A 97 25.758 -5.803 -9.972 1.00 24.34 C ATOM 1600 C GLU A 97 24.347 -5.749 -9.384 1.00 31.24 C ATOM 1601 O GLU A 97 23.560 -6.678 -9.562 1.00 42.21 O ATOM 1602 CB GLU A 97 26.508 -7.045 -9.485 1.00 74.43 C ATOM 1603 CG GLU A 97 27.735 -7.322 -10.356 1.00 52.45 C ATOM 1604 CD GLU A 97 28.372 -8.665 -9.996 1.00 72.21 C ATOM 1605 OE1 GLU A 97 27.735 -9.717 -10.159 1.00 11.31 O ATOM 1606 OE2 GLU A 97 29.573 -8.592 -9.533 1.00 24.14 O ATOM 0 H GLU A 97 26.773 -4.519 -8.664 1.00 0.41 H new ATOM 0 HA GLU A 97 25.676 -5.870 -11.057 1.00 24.34 H new ATOM 0 HB2 GLU A 97 26.817 -6.904 -8.449 1.00 74.43 H new ATOM 0 HB3 GLU A 97 25.842 -7.907 -9.505 1.00 74.43 H new ATOM 0 HG2 GLU A 97 27.446 -7.323 -11.407 1.00 52.45 H new ATOM 0 HG3 GLU A 97 28.465 -6.523 -10.226 1.00 52.45 H new ATOM 1614 N HIS A 98 24.069 -4.652 -8.694 1.00 61.42 N ATOM 1615 CA HIS A 98 22.766 -4.465 -8.079 1.00 22.12 C ATOM 1616 C HIS A 98 22.074 -3.252 -8.703 1.00 13.34 C ATOM 1617 O HIS A 98 21.161 -2.680 -8.109 1.00 0.24 O ATOM 1618 CB HIS A 98 22.894 -4.358 -6.558 1.00 42.10 C ATOM 1619 CG HIS A 98 23.272 -5.654 -5.881 1.00 13.34 C ATOM 1620 ND1 HIS A 98 22.334 -6.583 -5.464 1.00 3.43 N ATOM 1621 CD2 HIS A 98 24.493 -6.165 -5.553 1.00 71.43 C ATOM 1622 CE1 HIS A 98 22.974 -7.603 -4.911 1.00 14.21 C ATOM 1623 NE2 HIS A 98 24.311 -7.342 -4.967 1.00 23.21 N ATOM 0 H HIS A 98 24.724 -3.884 -8.547 1.00 61.42 H new ATOM 0 HA HIS A 98 22.140 -5.336 -8.272 1.00 22.12 H new ATOM 0 HB2 HIS A 98 23.643 -3.603 -6.319 1.00 42.10 H new ATOM 0 HB3 HIS A 98 21.947 -4.008 -6.148 1.00 42.10 H new ATOM 0 HD1 HIS A 98 21.323 -6.497 -5.565 1.00 3.43 H new ATOM 0 HD2 HIS A 98 25.446 -5.692 -5.739 1.00 71.43 H new ATOM 0 HE1 HIS A 98 22.517 -8.486 -4.490 1.00 14.21 H new ATOM 1631 N LYS A 99 22.534 -2.895 -9.892 1.00 43.25 N ATOM 1632 CA LYS A 99 21.971 -1.760 -10.604 1.00 13.25 C ATOM 1633 C LYS A 99 20.892 -2.253 -11.570 1.00 64.52 C ATOM 1634 O LYS A 99 21.087 -3.247 -12.268 1.00 64.41 O ATOM 1635 CB LYS A 99 23.077 -0.948 -11.279 1.00 43.33 C ATOM 1636 CG LYS A 99 22.554 -0.244 -12.533 1.00 35.11 C ATOM 1637 CD LYS A 99 22.797 -1.095 -13.781 1.00 40.32 C ATOM 1638 CE LYS A 99 24.294 -1.240 -14.062 1.00 30.41 C ATOM 1639 NZ LYS A 99 24.814 -2.490 -13.463 1.00 43.11 N ATOM 0 H LYS A 99 23.291 -3.372 -10.381 1.00 43.25 H new ATOM 0 HA LYS A 99 21.486 -1.076 -9.907 1.00 13.25 H new ATOM 0 HB2 LYS A 99 23.469 -0.209 -10.580 1.00 43.33 H new ATOM 0 HB3 LYS A 99 23.905 -1.605 -11.545 1.00 43.33 H new ATOM 0 HG2 LYS A 99 21.488 -0.046 -12.425 1.00 35.11 H new ATOM 0 HG3 LYS A 99 23.047 0.721 -12.645 1.00 35.11 H new ATOM 0 HD2 LYS A 99 22.351 -2.081 -13.646 1.00 40.32 H new ATOM 0 HD3 LYS A 99 22.305 -0.637 -14.639 1.00 40.32 H new ATOM 0 HE2 LYS A 99 24.470 -1.245 -15.138 1.00 30.41 H new ATOM 0 HE3 LYS A 99 24.831 -0.383 -13.655 1.00 30.41 H new ATOM 0 HZ1 LYS A 99 25.523 -2.259 -12.738 1.00 43.11 H new ATOM 0 HZ2 LYS A 99 24.031 -3.018 -13.026 1.00 43.11 H new ATOM 0 HZ3 LYS A 99 25.254 -3.073 -14.203 1.00 43.11 H new ATOM 1652 N ASP A 100 19.779 -1.536 -11.580 1.00 75.32 N ATOM 1653 CA ASP A 100 18.669 -1.889 -12.450 1.00 1.12 C ATOM 1654 C ASP A 100 18.749 -1.060 -13.733 1.00 63.13 C ATOM 1655 O ASP A 100 19.659 -0.248 -13.896 1.00 72.13 O ATOM 1656 CB ASP A 100 17.327 -1.592 -11.778 1.00 51.33 C ATOM 1657 CG ASP A 100 16.163 -2.471 -12.241 1.00 44.34 C ATOM 1658 OD1 ASP A 100 15.022 -2.313 -11.783 1.00 21.31 O ATOM 1659 OD2 ASP A 100 16.470 -3.361 -13.124 1.00 0.35 O ATOM 0 H ASP A 100 19.621 -0.712 -11.000 1.00 75.32 H new ATOM 0 HA ASP A 100 18.736 -2.955 -12.667 1.00 1.12 H new ATOM 0 HB2 ASP A 100 17.444 -1.708 -10.700 1.00 51.33 H new ATOM 0 HB3 ASP A 100 17.070 -0.549 -11.960 1.00 51.33 H new ATOM 1665 N LYS A 101 17.785 -1.294 -14.612 1.00 4.53 N ATOM 1666 CA LYS A 101 17.735 -0.579 -15.876 1.00 5.42 C ATOM 1667 C LYS A 101 17.508 0.910 -15.606 1.00 52.20 C ATOM 1668 O LYS A 101 17.714 1.743 -16.487 1.00 72.05 O ATOM 1669 CB LYS A 101 16.691 -1.202 -16.803 1.00 73.43 C ATOM 1670 CG LYS A 101 17.250 -2.442 -17.504 1.00 21.32 C ATOM 1671 CD LYS A 101 16.704 -2.560 -18.928 1.00 60.52 C ATOM 1672 CE LYS A 101 17.639 -1.883 -19.932 1.00 22.12 C ATOM 1673 NZ LYS A 101 17.137 -2.064 -21.312 1.00 61.42 N ATOM 0 H LYS A 101 17.033 -1.969 -14.474 1.00 4.53 H new ATOM 0 HA LYS A 101 18.686 -0.667 -16.401 1.00 5.42 H new ATOM 0 HB2 LYS A 101 15.805 -1.473 -16.229 1.00 73.43 H new ATOM 0 HB3 LYS A 101 16.377 -0.470 -17.547 1.00 73.43 H new ATOM 0 HG2 LYS A 101 18.338 -2.389 -17.531 1.00 21.32 H new ATOM 0 HG3 LYS A 101 16.989 -3.334 -16.935 1.00 21.32 H new ATOM 0 HD2 LYS A 101 16.584 -3.611 -19.189 1.00 60.52 H new ATOM 0 HD3 LYS A 101 15.716 -2.104 -18.981 1.00 60.52 H new ATOM 0 HE2 LYS A 101 17.718 -0.820 -19.704 1.00 22.12 H new ATOM 0 HE3 LYS A 101 18.641 -2.303 -19.845 1.00 22.12 H new ATOM 0 HZ1 LYS A 101 17.783 -1.598 -21.980 1.00 61.42 H new ATOM 0 HZ2 LYS A 101 17.084 -3.079 -21.532 1.00 61.42 H new ATOM 0 HZ3 LYS A 101 16.190 -1.642 -21.395 1.00 61.42 H new ATOM 1686 N ASP A 102 17.086 1.200 -14.384 1.00 33.40 N ATOM 1687 CA ASP A 102 16.828 2.573 -13.987 1.00 53.41 C ATOM 1688 C ASP A 102 18.120 3.198 -13.457 1.00 61.15 C ATOM 1689 O ASP A 102 18.225 4.419 -13.349 1.00 70.33 O ATOM 1690 CB ASP A 102 15.781 2.638 -12.873 1.00 73.44 C ATOM 1691 CG ASP A 102 14.509 1.828 -13.134 1.00 20.30 C ATOM 1692 OD1 ASP A 102 13.432 2.391 -13.381 1.00 45.04 O ATOM 1693 OD2 ASP A 102 14.656 0.547 -13.074 1.00 43.52 O ATOM 0 H ASP A 102 16.916 0.507 -13.655 1.00 33.40 H new ATOM 0 HA ASP A 102 16.460 3.112 -14.860 1.00 53.41 H new ATOM 0 HB2 ASP A 102 16.235 2.285 -11.947 1.00 73.44 H new ATOM 0 HB3 ASP A 102 15.504 3.680 -12.715 1.00 73.44 H new ATOM 1699 N GLY A 103 19.072 2.332 -13.141 1.00 52.14 N ATOM 1700 CA GLY A 103 20.353 2.783 -12.626 1.00 1.43 C ATOM 1701 C GLY A 103 20.373 2.746 -11.096 1.00 55.13 C ATOM 1702 O GLY A 103 21.281 2.172 -10.497 1.00 51.43 O ATOM 0 H GLY A 103 18.981 1.320 -13.232 1.00 52.14 H new ATOM 0 HA2 GLY A 103 21.150 2.151 -13.019 1.00 1.43 H new ATOM 0 HA3 GLY A 103 20.551 3.798 -12.971 1.00 1.43 H new ATOM 1706 N PHE A 104 19.360 3.365 -10.508 1.00 55.12 N ATOM 1707 CA PHE A 104 19.249 3.410 -9.060 1.00 72.10 C ATOM 1708 C PHE A 104 19.418 2.015 -8.454 1.00 11.32 C ATOM 1709 O PHE A 104 19.603 1.038 -9.178 1.00 13.14 O ATOM 1710 CB PHE A 104 17.846 3.928 -8.735 1.00 25.15 C ATOM 1711 CG PHE A 104 17.810 5.394 -8.298 1.00 64.10 C ATOM 1712 CD1 PHE A 104 17.688 6.378 -9.229 1.00 72.20 C ATOM 1713 CD2 PHE A 104 17.901 5.713 -6.979 1.00 41.22 C ATOM 1714 CE1 PHE A 104 17.654 7.738 -8.824 1.00 4.31 C ATOM 1715 CE2 PHE A 104 17.868 7.074 -6.574 1.00 73.21 C ATOM 1716 CZ PHE A 104 17.745 8.058 -7.505 1.00 61.41 C ATOM 0 H PHE A 104 18.608 3.840 -11.008 1.00 55.12 H new ATOM 0 HA PHE A 104 20.026 4.053 -8.647 1.00 72.10 H new ATOM 0 HB2 PHE A 104 17.212 3.806 -9.613 1.00 25.15 H new ATOM 0 HB3 PHE A 104 17.417 3.313 -7.944 1.00 25.15 H new ATOM 0 HD1 PHE A 104 17.617 6.125 -10.276 1.00 72.20 H new ATOM 0 HD2 PHE A 104 17.998 4.932 -6.240 1.00 41.22 H new ATOM 0 HE1 PHE A 104 17.556 8.519 -9.563 1.00 4.31 H new ATOM 0 HE2 PHE A 104 17.941 7.328 -5.527 1.00 73.21 H new ATOM 0 HZ PHE A 104 17.720 9.093 -7.197 1.00 61.41 H new ATOM 1726 N LEU A 105 19.349 1.967 -7.132 1.00 13.44 N ATOM 1727 CA LEU A 105 19.492 0.709 -6.420 1.00 31.32 C ATOM 1728 C LEU A 105 18.163 0.352 -5.751 1.00 11.23 C ATOM 1729 O LEU A 105 17.332 1.226 -5.508 1.00 73.14 O ATOM 1730 CB LEU A 105 20.672 0.774 -5.448 1.00 13.02 C ATOM 1731 CG LEU A 105 21.957 0.081 -5.905 1.00 73.13 C ATOM 1732 CD1 LEU A 105 21.984 -1.379 -5.450 1.00 72.42 C ATOM 1733 CD2 LEU A 105 22.142 0.213 -7.418 1.00 43.33 C ATOM 0 H LEU A 105 19.196 2.780 -6.535 1.00 13.44 H new ATOM 0 HA LEU A 105 19.726 -0.097 -7.115 1.00 31.32 H new ATOM 0 HB2 LEU A 105 20.898 1.822 -5.252 1.00 13.02 H new ATOM 0 HB3 LEU A 105 20.362 0.332 -4.501 1.00 13.02 H new ATOM 0 HG LEU A 105 22.802 0.581 -5.432 1.00 73.13 H new ATOM 0 HD11 LEU A 105 22.908 -1.848 -5.788 1.00 72.42 H new ATOM 0 HD12 LEU A 105 21.932 -1.422 -4.362 1.00 72.42 H new ATOM 0 HD13 LEU A 105 21.131 -1.908 -5.875 1.00 72.42 H new ATOM 0 HD21 LEU A 105 23.063 -0.288 -7.717 1.00 43.33 H new ATOM 0 HD22 LEU A 105 21.296 -0.246 -7.929 1.00 43.33 H new ATOM 0 HD23 LEU A 105 22.199 1.268 -7.687 1.00 43.33 H new ATOM 1745 N TYR A 106 18.004 -0.933 -5.471 1.00 30.11 N ATOM 1746 CA TYR A 106 16.790 -1.416 -4.835 1.00 2.14 C ATOM 1747 C TYR A 106 17.117 -2.300 -3.630 1.00 23.25 C ATOM 1748 O TYR A 106 17.491 -3.461 -3.790 1.00 43.11 O ATOM 1749 CB TYR A 106 16.068 -2.258 -5.888 1.00 53.54 C ATOM 1750 CG TYR A 106 17.005 -3.048 -6.803 1.00 62.12 C ATOM 1751 CD1 TYR A 106 17.799 -2.385 -7.716 1.00 44.05 C ATOM 1752 CD2 TYR A 106 17.057 -4.425 -6.715 1.00 52.50 C ATOM 1753 CE1 TYR A 106 18.682 -3.129 -8.577 1.00 72.15 C ATOM 1754 CE2 TYR A 106 17.939 -5.169 -7.576 1.00 1.40 C ATOM 1755 CZ TYR A 106 18.708 -4.484 -8.465 1.00 21.22 C ATOM 1756 OH TYR A 106 19.541 -5.187 -9.278 1.00 4.01 O ATOM 0 H TYR A 106 18.696 -1.655 -5.673 1.00 30.11 H new ATOM 0 HA TYR A 106 16.185 -0.582 -4.480 1.00 2.14 H new ATOM 0 HB2 TYR A 106 15.397 -2.954 -5.384 1.00 53.54 H new ATOM 0 HB3 TYR A 106 15.447 -1.603 -6.499 1.00 53.54 H new ATOM 0 HD1 TYR A 106 17.758 -1.308 -7.785 1.00 44.05 H new ATOM 0 HD2 TYR A 106 16.436 -4.944 -6.000 1.00 52.50 H new ATOM 0 HE1 TYR A 106 19.309 -2.622 -9.295 1.00 72.15 H new ATOM 0 HE2 TYR A 106 17.989 -6.246 -7.517 1.00 1.40 H new ATOM 0 HH TYR A 106 20.028 -4.568 -9.861 1.00 4.01 H new ATOM 1766 N VAL A 107 16.965 -1.717 -2.450 1.00 34.45 N ATOM 1767 CA VAL A 107 17.239 -2.438 -1.218 1.00 1.11 C ATOM 1768 C VAL A 107 16.003 -2.389 -0.317 1.00 62.03 C ATOM 1769 O VAL A 107 15.147 -1.521 -0.479 1.00 75.43 O ATOM 1770 CB VAL A 107 18.491 -1.869 -0.547 1.00 12.14 C ATOM 1771 CG1 VAL A 107 18.609 -0.364 -0.794 1.00 1.45 C ATOM 1772 CG2 VAL A 107 18.500 -2.181 0.951 1.00 32.41 C ATOM 0 H VAL A 107 16.656 -0.754 -2.321 1.00 34.45 H new ATOM 0 HA VAL A 107 17.447 -3.487 -1.428 1.00 1.11 H new ATOM 0 HB VAL A 107 19.360 -2.351 -0.995 1.00 12.14 H new ATOM 0 HG11 VAL A 107 19.507 0.015 -0.307 1.00 1.45 H new ATOM 0 HG12 VAL A 107 18.670 -0.175 -1.866 1.00 1.45 H new ATOM 0 HG13 VAL A 107 17.734 0.141 -0.386 1.00 1.45 H new ATOM 0 HG21 VAL A 107 19.400 -1.766 1.404 1.00 32.41 H new ATOM 0 HG22 VAL A 107 17.621 -1.739 1.420 1.00 32.41 H new ATOM 0 HG23 VAL A 107 18.485 -3.261 1.098 1.00 32.41 H new ATOM 1782 N THR A 108 15.950 -3.332 0.612 1.00 1.42 N ATOM 1783 CA THR A 108 14.833 -3.407 1.539 1.00 63.12 C ATOM 1784 C THR A 108 15.258 -4.110 2.830 1.00 51.04 C ATOM 1785 O THR A 108 15.583 -5.296 2.817 1.00 72.32 O ATOM 1786 CB THR A 108 13.672 -4.100 0.824 1.00 54.44 C ATOM 1787 OG1 THR A 108 13.495 -3.339 -0.368 1.00 54.13 O ATOM 1788 CG2 THR A 108 12.345 -3.938 1.569 1.00 23.30 C ATOM 0 H THR A 108 16.662 -4.050 0.743 1.00 1.42 H new ATOM 0 HA THR A 108 14.502 -2.413 1.841 1.00 63.12 H new ATOM 0 HB THR A 108 13.897 -5.160 0.710 1.00 54.44 H new ATOM 0 HG1 THR A 108 13.648 -2.390 -0.176 1.00 54.13 H new ATOM 0 HG21 THR A 108 11.554 -4.448 1.019 1.00 23.30 H new ATOM 0 HG22 THR A 108 12.432 -4.371 2.565 1.00 23.30 H new ATOM 0 HG23 THR A 108 12.102 -2.879 1.654 1.00 23.30 H new ATOM 1796 N TYR A 109 15.242 -3.348 3.913 1.00 35.14 N ATOM 1797 CA TYR A 109 15.621 -3.883 5.210 1.00 12.01 C ATOM 1798 C TYR A 109 14.385 -4.195 6.057 1.00 25.31 C ATOM 1799 O TYR A 109 13.258 -4.099 5.575 1.00 32.24 O ATOM 1800 CB TYR A 109 16.432 -2.784 5.899 1.00 41.32 C ATOM 1801 CG TYR A 109 15.700 -1.445 6.006 1.00 12.33 C ATOM 1802 CD1 TYR A 109 14.584 -1.331 6.811 1.00 44.21 C ATOM 1803 CD2 TYR A 109 16.155 -0.351 5.299 1.00 51.54 C ATOM 1804 CE1 TYR A 109 13.895 -0.071 6.912 1.00 2.50 C ATOM 1805 CE2 TYR A 109 15.466 0.910 5.400 1.00 73.22 C ATOM 1806 CZ TYR A 109 14.370 0.988 6.202 1.00 72.45 C ATOM 1807 OH TYR A 109 13.719 2.178 6.297 1.00 30.11 O ATOM 0 H TYR A 109 14.973 -2.364 3.920 1.00 35.14 H new ATOM 0 HA TYR A 109 16.185 -4.808 5.093 1.00 12.01 H new ATOM 0 HB2 TYR A 109 16.702 -3.120 6.900 1.00 41.32 H new ATOM 0 HB3 TYR A 109 17.362 -2.635 5.351 1.00 41.32 H new ATOM 0 HD1 TYR A 109 14.228 -2.187 7.365 1.00 44.21 H new ATOM 0 HD2 TYR A 109 17.028 -0.440 4.670 1.00 51.54 H new ATOM 0 HE1 TYR A 109 13.021 0.031 7.537 1.00 2.50 H new ATOM 0 HE2 TYR A 109 15.812 1.774 4.852 1.00 73.22 H new ATOM 0 HH TYR A 109 13.304 2.254 7.182 1.00 30.11 H new ATOM 1817 N SER A 110 14.640 -4.563 7.304 1.00 0.33 N ATOM 1818 CA SER A 110 13.563 -4.890 8.223 1.00 53.31 C ATOM 1819 C SER A 110 14.128 -5.152 9.620 1.00 31.12 C ATOM 1820 O SER A 110 15.323 -5.400 9.774 1.00 71.01 O ATOM 1821 CB SER A 110 12.771 -6.104 7.734 1.00 65.43 C ATOM 1822 OG SER A 110 13.547 -7.299 7.777 1.00 71.23 O ATOM 0 H SER A 110 15.577 -4.642 7.700 1.00 0.33 H new ATOM 0 HA SER A 110 12.882 -4.040 8.268 1.00 53.31 H new ATOM 0 HB2 SER A 110 11.880 -6.228 8.349 1.00 65.43 H new ATOM 0 HB3 SER A 110 12.431 -5.928 6.713 1.00 65.43 H new ATOM 0 HG SER A 110 14.162 -7.262 8.539 1.00 71.23 H new ATOM 1828 N GLY A 111 13.242 -5.089 10.603 1.00 2.45 N ATOM 1829 CA GLY A 111 13.638 -5.316 11.983 1.00 72.20 C ATOM 1830 C GLY A 111 13.868 -6.805 12.249 1.00 64.33 C ATOM 1831 O GLY A 111 14.216 -7.194 13.363 1.00 74.22 O ATOM 0 H GLY A 111 12.251 -4.884 10.472 1.00 2.45 H new ATOM 0 HA2 GLY A 111 14.550 -4.759 12.200 1.00 72.20 H new ATOM 0 HA3 GLY A 111 12.866 -4.938 12.654 1.00 72.20 H new ATOM 1835 N GLU A 112 13.666 -7.598 11.206 1.00 1.15 N ATOM 1836 CA GLU A 112 13.848 -9.036 11.313 1.00 14.43 C ATOM 1837 C GLU A 112 14.851 -9.523 10.266 1.00 30.22 C ATOM 1838 O GLU A 112 15.057 -8.868 9.246 1.00 54.32 O ATOM 1839 CB GLU A 112 12.512 -9.769 11.176 1.00 52.33 C ATOM 1840 CG GLU A 112 12.617 -11.202 11.699 1.00 33.52 C ATOM 1841 CD GLU A 112 11.245 -11.734 12.121 1.00 3.32 C ATOM 1842 OE1 GLU A 112 10.213 -11.191 11.699 1.00 64.35 O ATOM 1843 OE2 GLU A 112 11.275 -12.749 12.917 1.00 0.41 O ATOM 0 H GLU A 112 13.378 -7.272 10.283 1.00 1.15 H new ATOM 0 HA GLU A 112 14.248 -9.260 12.302 1.00 14.43 H new ATOM 0 HB2 GLU A 112 11.740 -9.232 11.728 1.00 52.33 H new ATOM 0 HB3 GLU A 112 12.205 -9.781 10.130 1.00 52.33 H new ATOM 0 HG2 GLU A 112 13.038 -11.845 10.926 1.00 33.52 H new ATOM 0 HG3 GLU A 112 13.300 -11.234 12.548 1.00 33.52 H new ATOM 1851 N ASN A 113 15.449 -10.670 10.555 1.00 40.42 N ATOM 1852 CA ASN A 113 16.426 -11.253 9.651 1.00 51.52 C ATOM 1853 C ASN A 113 15.706 -12.132 8.626 1.00 15.54 C ATOM 1854 O ASN A 113 15.913 -13.343 8.588 1.00 32.40 O ATOM 1855 CB ASN A 113 17.423 -12.131 10.409 1.00 10.32 C ATOM 1856 CG ASN A 113 18.441 -12.756 9.453 1.00 10.23 C ATOM 1857 OD1 ASN A 113 18.570 -13.964 9.346 1.00 71.30 O ATOM 1858 ND2 ASN A 113 19.155 -11.868 8.767 1.00 54.01 N ATOM 0 H ASN A 113 15.276 -11.211 11.402 1.00 40.42 H new ATOM 0 HA ASN A 113 16.961 -10.439 9.163 1.00 51.52 H new ATOM 0 HB2 ASN A 113 17.942 -11.534 11.159 1.00 10.32 H new ATOM 0 HB3 ASN A 113 16.889 -12.918 10.942 1.00 10.32 H new ATOM 0 HD21 ASN A 113 19.861 -12.185 8.103 1.00 54.01 H new ATOM 0 HD22 ASN A 113 18.996 -10.870 8.905 1.00 54.01 H new ATOM 1865 N THR A 114 14.874 -11.487 7.821 1.00 1.54 N ATOM 1866 CA THR A 114 14.122 -12.194 6.799 1.00 31.44 C ATOM 1867 C THR A 114 14.298 -11.514 5.440 1.00 14.25 C ATOM 1868 O THR A 114 14.678 -10.346 5.372 1.00 65.35 O ATOM 1869 CB THR A 114 12.664 -12.273 7.255 1.00 34.54 C ATOM 1870 OG1 THR A 114 12.399 -10.983 7.798 1.00 1.23 O ATOM 1871 CG2 THR A 114 12.471 -13.223 8.440 1.00 41.41 C ATOM 0 H THR A 114 14.704 -10.482 7.856 1.00 1.54 H new ATOM 0 HA THR A 114 14.492 -13.211 6.668 1.00 31.44 H new ATOM 0 HB THR A 114 12.041 -12.600 6.422 1.00 34.54 H new ATOM 0 HG1 THR A 114 11.473 -10.946 8.116 1.00 1.23 H new ATOM 0 HG21 THR A 114 11.419 -13.242 8.724 1.00 41.41 H new ATOM 0 HG22 THR A 114 12.789 -14.227 8.157 1.00 41.41 H new ATOM 0 HG23 THR A 114 13.068 -12.878 9.284 1.00 41.41 H new