USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 607 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 79 THR OG1 : rot -118:sc= 1.1 USER MOD Set 1.2: A 81 THR OG1 : rot -72:sc= 1.34 USER MOD Set 2.1: A 29 ASN : amide:sc= 0 X(o=-0.00072,f=-0.087) USER MOD Set 2.2: A 37 MET CE :methyl 144:sc=-0.000717 (180deg=-1.46) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.92) USER MOD Single : A 35 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.76) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.012 (180deg=-0.389) USER MOD Single : A 56 ASN : amide:sc= -0.788 K(o=-0.79,f=-3.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -147:sc= 0.864 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=0.64) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0.362 (180deg=0.325) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc=0.000548 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0172) USER MOD Single : A 94 ASN : amide:sc= -1.81 X(o=-1.8,f=-2!) USER MOD Single : A 98 GLN : amide:sc= 0.353 K(o=0.35,f=-4.3!) USER MOD Single : A 99 GLN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 102 SER OG : rot 18:sc= 1.24 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -126:sc= -0.816 (180deg=-2.41!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 109 THR OG1 : rot -15:sc= 0.409 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 -3.995 23.142 -6.192 1.00 55.41 N ATOM 258 CA ALA A 19 -2.597 23.534 -6.319 1.00 3.12 C ATOM 259 C ALA A 19 -1.688 22.311 -6.382 1.00 71.14 C ATOM 260 O ALA A 19 -0.581 22.378 -6.913 1.00 3.22 O ATOM 261 CB ALA A 19 -2.195 24.433 -5.159 1.00 43.21 C ATOM 0 HA ALA A 19 -2.483 24.088 -7.251 1.00 3.12 H new ATOM 0 HB1 ALA A 19 -1.149 24.719 -5.266 1.00 43.21 H new ATOM 0 HB2 ALA A 19 -2.817 25.328 -5.160 1.00 43.21 H new ATOM 0 HB3 ALA A 19 -2.331 23.897 -4.219 1.00 43.21 H new ATOM 267 N GLU A 20 -2.164 21.196 -5.837 1.00 51.42 N ATOM 268 CA GLU A 20 -1.393 19.958 -5.832 1.00 1.54 C ATOM 269 C GLU A 20 -2.230 18.793 -6.351 1.00 21.12 C ATOM 270 O GLU A 20 -2.943 18.140 -5.590 1.00 35.44 O ATOM 271 CB GLU A 20 -0.890 19.652 -4.420 1.00 32.51 C ATOM 272 CG GLU A 20 0.380 18.819 -4.394 1.00 33.24 C ATOM 273 CD GLU A 20 1.541 19.544 -3.740 1.00 51.35 C ATOM 274 OE1 GLU A 20 1.439 19.866 -2.538 1.00 71.21 O ATOM 275 OE2 GLU A 20 2.551 19.791 -4.433 1.00 55.33 O ATOM 0 H GLU A 20 -3.080 21.124 -5.393 1.00 51.42 H new ATOM 0 HA GLU A 20 -0.537 20.089 -6.494 1.00 1.54 H new ATOM 0 HB2 GLU A 20 -0.710 20.591 -3.896 1.00 32.51 H new ATOM 0 HB3 GLU A 20 -1.671 19.126 -3.871 1.00 32.51 H new ATOM 0 HG2 GLU A 20 0.189 17.889 -3.858 1.00 33.24 H new ATOM 0 HG3 GLU A 20 0.654 18.549 -5.414 1.00 33.24 H new ATOM 282 N TRP A 21 -2.138 18.540 -7.651 1.00 24.24 N ATOM 283 CA TRP A 21 -2.886 17.453 -8.273 1.00 62.52 C ATOM 284 C TRP A 21 -2.275 16.100 -7.921 1.00 75.25 C ATOM 285 O TRP A 21 -1.060 15.918 -7.999 1.00 24.15 O ATOM 286 CB TRP A 21 -2.919 17.633 -9.791 1.00 73.45 C ATOM 287 CG TRP A 21 -3.733 18.812 -10.232 1.00 11.11 C ATOM 288 CD1 TRP A 21 -3.269 19.952 -10.823 1.00 14.11 C ATOM 289 CD2 TRP A 21 -5.152 18.966 -10.115 1.00 22.42 C ATOM 290 NE1 TRP A 21 -4.314 20.807 -11.081 1.00 21.41 N ATOM 291 CE2 TRP A 21 -5.479 20.224 -10.656 1.00 53.42 C ATOM 292 CE3 TRP A 21 -6.176 18.163 -9.608 1.00 15.21 C ATOM 293 CZ2 TRP A 21 -6.789 20.696 -10.701 1.00 5.20 C ATOM 294 CZ3 TRP A 21 -7.475 18.633 -9.653 1.00 1.11 C ATOM 295 CH2 TRP A 21 -7.772 19.890 -10.197 1.00 73.34 C ATOM 0 H TRP A 21 -1.553 19.072 -8.295 1.00 24.24 H new ATOM 0 HA TRP A 21 -3.906 17.480 -7.889 1.00 62.52 H new ATOM 0 HB2 TRP A 21 -1.899 17.747 -10.158 1.00 73.45 H new ATOM 0 HB3 TRP A 21 -3.323 16.730 -10.248 1.00 73.45 H new ATOM 0 HD1 TRP A 21 -2.233 20.153 -11.054 1.00 14.11 H new ATOM 0 HE1 TRP A 21 -4.235 21.725 -11.518 1.00 21.41 H new ATOM 0 HE3 TRP A 21 -5.957 17.192 -9.188 1.00 15.21 H new ATOM 0 HZ2 TRP A 21 -7.020 21.665 -11.119 1.00 5.20 H new ATOM 0 HZ3 TRP A 21 -8.275 18.021 -9.262 1.00 1.11 H new ATOM 0 HH2 TRP A 21 -8.797 20.229 -10.219 1.00 73.34 H new ATOM 306 N LEU A 22 -3.126 15.155 -7.535 1.00 25.30 N ATOM 307 CA LEU A 22 -2.669 13.818 -7.173 1.00 24.05 C ATOM 308 C LEU A 22 -3.077 12.798 -8.230 1.00 73.21 C ATOM 309 O LEU A 22 -4.255 12.458 -8.357 1.00 13.04 O ATOM 310 CB LEU A 22 -3.238 13.415 -5.811 1.00 22.31 C ATOM 311 CG LEU A 22 -3.148 14.469 -4.707 1.00 2.33 C ATOM 312 CD1 LEU A 22 -1.828 15.222 -4.794 1.00 41.53 C ATOM 313 CD2 LEU A 22 -4.321 15.435 -4.795 1.00 71.24 C ATOM 0 H LEU A 22 -4.135 15.290 -7.465 1.00 25.30 H new ATOM 0 HA LEU A 22 -1.581 13.836 -7.114 1.00 24.05 H new ATOM 0 HB2 LEU A 22 -4.286 13.145 -5.943 1.00 22.31 H new ATOM 0 HB3 LEU A 22 -2.718 12.519 -5.473 1.00 22.31 H new ATOM 0 HG LEU A 22 -3.191 13.962 -3.743 1.00 2.33 H new ATOM 0 HD11 LEU A 22 -1.782 15.968 -4.001 1.00 41.53 H new ATOM 0 HD12 LEU A 22 -1.001 14.521 -4.682 1.00 41.53 H new ATOM 0 HD13 LEU A 22 -1.755 15.717 -5.762 1.00 41.53 H new ATOM 0 HD21 LEU A 22 -4.241 16.178 -4.002 1.00 71.24 H new ATOM 0 HD22 LEU A 22 -4.309 15.935 -5.763 1.00 71.24 H new ATOM 0 HD23 LEU A 22 -5.255 14.884 -4.683 1.00 71.24 H new ATOM 325 N TYR A 23 -2.099 12.310 -8.984 1.00 21.32 N ATOM 326 CA TYR A 23 -2.358 11.327 -10.030 1.00 33.34 C ATOM 327 C TYR A 23 -1.293 10.234 -10.026 1.00 33.04 C ATOM 328 O TYR A 23 -0.237 10.382 -9.414 1.00 1.25 O ATOM 329 CB TYR A 23 -2.400 12.009 -11.399 1.00 24.20 C ATOM 330 CG TYR A 23 -1.670 13.331 -11.440 1.00 3.53 C ATOM 331 CD1 TYR A 23 -0.334 13.423 -11.067 1.00 73.42 C ATOM 332 CD2 TYR A 23 -2.316 14.491 -11.850 1.00 4.42 C ATOM 333 CE1 TYR A 23 0.337 14.631 -11.102 1.00 72.13 C ATOM 334 CE2 TYR A 23 -1.653 15.702 -11.889 1.00 10.11 C ATOM 335 CZ TYR A 23 -0.327 15.768 -11.513 1.00 45.24 C ATOM 336 OH TYR A 23 0.337 16.972 -11.551 1.00 2.31 O ATOM 0 H TYR A 23 -1.119 12.579 -8.891 1.00 21.32 H new ATOM 0 HA TYR A 23 -3.326 10.867 -9.830 1.00 33.34 H new ATOM 0 HB2 TYR A 23 -1.965 11.340 -12.142 1.00 24.20 H new ATOM 0 HB3 TYR A 23 -3.440 12.169 -11.684 1.00 24.20 H new ATOM 0 HD1 TYR A 23 0.189 12.535 -10.744 1.00 73.42 H new ATOM 0 HD2 TYR A 23 -3.354 14.445 -12.143 1.00 4.42 H new ATOM 0 HE1 TYR A 23 1.375 14.684 -10.809 1.00 72.13 H new ATOM 0 HE2 TYR A 23 -2.170 16.593 -12.212 1.00 10.11 H new ATOM 0 HH TYR A 23 -0.273 17.672 -11.864 1.00 2.31 H new ATOM 346 N GLY A 24 -1.582 9.133 -10.714 1.00 52.53 N ATOM 347 CA GLY A 24 -0.642 8.031 -10.778 1.00 22.34 C ATOM 348 C GLY A 24 -0.929 7.089 -11.930 1.00 74.23 C ATOM 349 O GLY A 24 -0.009 6.570 -12.562 1.00 20.22 O ATOM 0 H GLY A 24 -2.451 8.986 -11.228 1.00 52.53 H new ATOM 0 HA2 GLY A 24 0.369 8.426 -10.879 1.00 22.34 H new ATOM 0 HA3 GLY A 24 -0.675 7.475 -9.841 1.00 22.34 H new ATOM 353 N SER A 25 -2.210 6.867 -12.205 1.00 75.25 N ATOM 354 CA SER A 25 -2.617 5.976 -13.286 1.00 41.35 C ATOM 355 C SER A 25 -2.520 6.681 -14.636 1.00 75.41 C ATOM 356 O SER A 25 -2.901 7.844 -14.770 1.00 0.34 O ATOM 357 CB SER A 25 -4.046 5.482 -13.058 1.00 42.23 C ATOM 358 OG SER A 25 -4.952 6.111 -13.949 1.00 73.10 O ATOM 0 H SER A 25 -2.984 7.292 -11.694 1.00 75.25 H new ATOM 0 HA SER A 25 -1.941 5.121 -13.292 1.00 41.35 H new ATOM 0 HB2 SER A 25 -4.087 4.402 -13.196 1.00 42.23 H new ATOM 0 HB3 SER A 25 -4.344 5.684 -12.029 1.00 42.23 H new ATOM 0 HG SER A 25 -5.858 5.777 -13.784 1.00 73.10 H new ATOM 364 N CYS A 26 -2.007 5.970 -15.633 1.00 61.40 N ATOM 365 CA CYS A 26 -1.858 6.523 -16.972 1.00 41.44 C ATOM 366 C CYS A 26 -2.814 5.848 -17.951 1.00 65.53 C ATOM 367 O CYS A 26 -2.829 4.623 -18.076 1.00 24.54 O ATOM 368 CB CYS A 26 -0.415 6.361 -17.458 1.00 12.11 C ATOM 369 SG CYS A 26 0.640 7.814 -17.149 1.00 51.32 S ATOM 0 H CYS A 26 -1.687 5.006 -15.538 1.00 61.40 H new ATOM 0 HA CYS A 26 -2.102 7.584 -16.927 1.00 41.44 H new ATOM 0 HB2 CYS A 26 0.027 5.493 -16.968 1.00 12.11 H new ATOM 0 HB3 CYS A 26 -0.424 6.153 -18.528 1.00 12.11 H new ATOM 375 N VAL A 27 -3.610 6.654 -18.645 1.00 52.20 N ATOM 376 CA VAL A 27 -4.568 6.135 -19.613 1.00 33.23 C ATOM 377 C VAL A 27 -4.136 6.456 -21.039 1.00 74.33 C ATOM 378 O VAL A 27 -3.828 7.603 -21.362 1.00 43.15 O ATOM 379 CB VAL A 27 -5.978 6.710 -19.373 1.00 23.33 C ATOM 380 CG1 VAL A 27 -6.996 6.018 -20.266 1.00 4.10 C ATOM 381 CG2 VAL A 27 -6.364 6.576 -17.908 1.00 1.34 C ATOM 0 H VAL A 27 -3.610 7.670 -18.555 1.00 52.20 H new ATOM 0 HA VAL A 27 -4.598 5.054 -19.480 1.00 33.23 H new ATOM 0 HB VAL A 27 -5.968 7.770 -19.628 1.00 23.33 H new ATOM 0 HG11 VAL A 27 -7.985 6.437 -20.083 1.00 4.10 H new ATOM 0 HG12 VAL A 27 -6.726 6.170 -21.311 1.00 4.10 H new ATOM 0 HG13 VAL A 27 -7.008 4.951 -20.045 1.00 4.10 H new ATOM 0 HG21 VAL A 27 -7.362 6.987 -17.756 1.00 1.34 H new ATOM 0 HG22 VAL A 27 -6.358 5.523 -17.625 1.00 1.34 H new ATOM 0 HG23 VAL A 27 -5.649 7.122 -17.292 1.00 1.34 H new ATOM 391 N ALA A 28 -4.119 5.434 -21.890 1.00 10.52 N ATOM 392 CA ALA A 28 -3.727 5.608 -23.283 1.00 51.32 C ATOM 393 C ALA A 28 -4.918 6.027 -24.140 1.00 23.12 C ATOM 394 O ALA A 28 -5.898 5.294 -24.258 1.00 51.04 O ATOM 395 CB ALA A 28 -3.113 4.325 -23.823 1.00 24.12 C ATOM 0 H ALA A 28 -4.372 4.478 -21.639 1.00 10.52 H new ATOM 0 HA ALA A 28 -2.982 6.402 -23.328 1.00 51.32 H new ATOM 0 HB1 ALA A 28 -2.825 4.470 -24.864 1.00 24.12 H new ATOM 0 HB2 ALA A 28 -2.232 4.068 -23.235 1.00 24.12 H new ATOM 0 HB3 ALA A 28 -3.842 3.517 -23.757 1.00 24.12 H new ATOM 401 N ASN A 29 -4.824 7.212 -24.735 1.00 22.44 N ATOM 402 CA ASN A 29 -5.895 7.730 -25.580 1.00 70.32 C ATOM 403 C ASN A 29 -5.395 7.979 -26.999 1.00 71.20 C ATOM 404 O ASN A 29 -5.631 9.042 -27.574 1.00 23.33 O ATOM 405 CB ASN A 29 -6.458 9.024 -24.990 1.00 54.21 C ATOM 406 CG ASN A 29 -7.909 9.249 -25.368 1.00 74.02 C ATOM 407 OD1 ASN A 29 -8.790 8.483 -24.975 1.00 5.10 O ATOM 408 ND2 ASN A 29 -8.165 10.302 -26.136 1.00 22.45 N ATOM 0 H ASN A 29 -4.018 7.831 -24.648 1.00 22.44 H new ATOM 0 HA ASN A 29 -6.687 6.983 -25.619 1.00 70.32 H new ATOM 0 HB2 ASN A 29 -6.369 8.994 -23.904 1.00 54.21 H new ATOM 0 HB3 ASN A 29 -5.860 9.868 -25.335 1.00 54.21 H new ATOM 0 HD21 ASN A 29 -9.123 10.503 -26.423 1.00 22.45 H new ATOM 0 HD22 ASN A 29 -7.404 10.910 -26.438 1.00 22.45 H new ATOM 415 N ASN A 30 -4.703 6.993 -27.559 1.00 52.14 N ATOM 416 CA ASN A 30 -4.169 7.105 -28.912 1.00 53.10 C ATOM 417 C ASN A 30 -3.413 5.840 -29.306 1.00 23.22 C ATOM 418 O ASN A 30 -3.426 5.433 -30.467 1.00 22.01 O ATOM 419 CB ASN A 30 -3.244 8.320 -29.019 1.00 13.44 C ATOM 420 CG ASN A 30 -3.600 9.216 -30.190 1.00 65.40 C ATOM 421 OD1 ASN A 30 -4.773 9.385 -30.523 1.00 11.25 O ATOM 422 ND2 ASN A 30 -2.585 9.795 -30.820 1.00 40.43 N ATOM 0 H ASN A 30 -4.498 6.107 -27.097 1.00 52.14 H new ATOM 0 HA ASN A 30 -5.007 7.233 -29.597 1.00 53.10 H new ATOM 0 HB2 ASN A 30 -3.297 8.896 -28.095 1.00 13.44 H new ATOM 0 HB3 ASN A 30 -2.214 7.981 -29.125 1.00 13.44 H new ATOM 0 HD21 ASN A 30 -2.762 10.409 -31.615 1.00 40.43 H new ATOM 0 HD22 ASN A 30 -1.628 9.626 -30.509 1.00 40.43 H new ATOM 429 N GLY A 31 -2.754 5.224 -28.329 1.00 24.21 N ATOM 430 CA GLY A 31 -2.001 4.011 -28.593 1.00 71.45 C ATOM 431 C GLY A 31 -1.791 3.176 -27.346 1.00 1.22 C ATOM 432 O GLY A 31 -1.671 3.714 -26.244 1.00 24.24 O ATOM 0 H GLY A 31 -2.728 5.543 -27.360 1.00 24.21 H new ATOM 0 HA2 GLY A 31 -2.526 3.416 -29.340 1.00 71.45 H new ATOM 0 HA3 GLY A 31 -1.032 4.274 -29.018 1.00 71.45 H new ATOM 436 N ASP A 32 -1.747 1.859 -27.516 1.00 52.44 N ATOM 437 CA ASP A 32 -1.550 0.948 -26.395 1.00 11.43 C ATOM 438 C ASP A 32 -0.405 1.422 -25.506 1.00 32.02 C ATOM 439 O ASP A 32 -0.491 1.358 -24.278 1.00 71.40 O ATOM 440 CB ASP A 32 -1.267 -0.466 -26.903 1.00 75.44 C ATOM 441 CG ASP A 32 -1.412 -1.512 -25.814 1.00 3.40 C ATOM 442 OD1 ASP A 32 -1.352 -1.140 -24.623 1.00 72.24 O ATOM 443 OD2 ASP A 32 -1.584 -2.700 -26.154 1.00 25.33 O ATOM 0 H ASP A 32 -1.845 1.398 -28.421 1.00 52.44 H new ATOM 0 HA ASP A 32 -2.465 0.936 -25.803 1.00 11.43 H new ATOM 0 HB2 ASP A 32 -1.950 -0.699 -27.720 1.00 75.44 H new ATOM 0 HB3 ASP A 32 -0.257 -0.507 -27.310 1.00 75.44 H new ATOM 448 N CYS A 33 0.667 1.896 -26.132 1.00 33.32 N ATOM 449 CA CYS A 33 1.831 2.378 -25.398 1.00 42.41 C ATOM 450 C CYS A 33 2.389 3.645 -26.038 1.00 4.04 C ATOM 451 O CYS A 33 2.125 3.933 -27.203 1.00 42.35 O ATOM 452 CB CYS A 33 2.914 1.297 -25.349 1.00 14.41 C ATOM 453 SG CYS A 33 2.278 -0.378 -25.020 1.00 54.44 S ATOM 0 H CYS A 33 0.754 1.957 -27.146 1.00 33.32 H new ATOM 0 HA CYS A 33 1.517 2.613 -24.381 1.00 42.41 H new ATOM 0 HB2 CYS A 33 3.449 1.291 -26.298 1.00 14.41 H new ATOM 0 HB3 CYS A 33 3.638 1.558 -24.577 1.00 14.41 H new ATOM 459 N GLY A 34 3.166 4.399 -25.264 1.00 75.03 N ATOM 460 CA GLY A 34 3.749 5.628 -25.772 1.00 64.41 C ATOM 461 C GLY A 34 3.069 6.863 -25.221 1.00 2.32 C ATOM 462 O GLY A 34 2.413 6.808 -24.182 1.00 21.33 O ATOM 0 H GLY A 34 3.402 4.181 -24.296 1.00 75.03 H new ATOM 0 HA2 GLY A 34 4.808 5.656 -25.517 1.00 64.41 H new ATOM 0 HA3 GLY A 34 3.683 5.635 -26.860 1.00 64.41 H new ATOM 466 N GLN A 35 3.226 7.983 -25.921 1.00 12.44 N ATOM 467 CA GLN A 35 2.621 9.241 -25.494 1.00 44.34 C ATOM 468 C GLN A 35 1.101 9.127 -25.450 1.00 61.13 C ATOM 469 O GLN A 35 0.456 8.906 -26.473 1.00 12.52 O ATOM 470 CB GLN A 35 3.033 10.374 -26.435 1.00 31.02 C ATOM 471 CG GLN A 35 2.782 10.066 -27.902 1.00 51.54 C ATOM 472 CD GLN A 35 4.065 9.934 -28.699 1.00 62.33 C ATOM 473 OE1 GLN A 35 5.043 10.639 -28.445 1.00 30.41 O ATOM 474 NE2 GLN A 35 4.070 9.028 -29.669 1.00 61.55 N ATOM 0 H GLN A 35 3.766 8.045 -26.784 1.00 12.44 H new ATOM 0 HA GLN A 35 2.979 9.465 -24.489 1.00 44.34 H new ATOM 0 HB2 GLN A 35 2.487 11.278 -26.163 1.00 31.02 H new ATOM 0 HB3 GLN A 35 4.093 10.586 -26.293 1.00 31.02 H new ATOM 0 HG2 GLN A 35 2.212 9.140 -27.983 1.00 51.54 H new ATOM 0 HG3 GLN A 35 2.169 10.856 -28.336 1.00 51.54 H new ATOM 0 HE21 GLN A 35 3.238 8.465 -29.845 1.00 61.55 H new ATOM 0 HE22 GLN A 35 4.906 8.895 -30.238 1.00 61.55 H new ATOM 483 N GLY A 36 0.535 9.279 -24.256 1.00 23.45 N ATOM 484 CA GLY A 36 -0.904 9.189 -24.100 1.00 52.23 C ATOM 485 C GLY A 36 -1.462 10.287 -23.217 1.00 20.23 C ATOM 486 O GLY A 36 -1.370 11.468 -23.549 1.00 63.02 O ATOM 0 H GLY A 36 1.049 9.463 -23.394 1.00 23.45 H new ATOM 0 HA2 GLY A 36 -1.376 9.241 -25.081 1.00 52.23 H new ATOM 0 HA3 GLY A 36 -1.160 8.219 -23.674 1.00 52.23 H new ATOM 490 N MET A 37 -2.044 9.897 -22.087 1.00 1.04 N ATOM 491 CA MET A 37 -2.619 10.857 -21.152 1.00 2.53 C ATOM 492 C MET A 37 -2.748 10.250 -19.759 1.00 24.00 C ATOM 493 O MET A 37 -2.627 9.037 -19.588 1.00 25.44 O ATOM 494 CB MET A 37 -3.988 11.325 -21.648 1.00 33.54 C ATOM 495 CG MET A 37 -5.024 10.214 -21.708 1.00 41.45 C ATOM 496 SD MET A 37 -6.716 10.839 -21.698 1.00 20.15 S ATOM 497 CE MET A 37 -6.679 11.938 -23.113 1.00 21.13 C ATOM 0 H MET A 37 -2.130 8.923 -21.797 1.00 1.04 H new ATOM 0 HA MET A 37 -1.950 11.715 -21.093 1.00 2.53 H new ATOM 0 HB2 MET A 37 -4.352 12.116 -20.992 1.00 33.54 H new ATOM 0 HB3 MET A 37 -3.876 11.761 -22.641 1.00 33.54 H new ATOM 0 HG2 MET A 37 -4.865 9.623 -22.610 1.00 41.45 H new ATOM 0 HG3 MET A 37 -4.883 9.545 -20.859 1.00 41.45 H new ATOM 0 HE1 MET A 37 -7.639 11.901 -23.628 1.00 21.13 H new ATOM 0 HE2 MET A 37 -6.486 12.957 -22.777 1.00 21.13 H new ATOM 0 HE3 MET A 37 -5.889 11.625 -23.796 1.00 21.13 H new ATOM 507 N ARG A 38 -2.995 11.101 -18.768 1.00 64.42 N ATOM 508 CA ARG A 38 -3.140 10.648 -17.390 1.00 65.04 C ATOM 509 C ARG A 38 -4.168 11.493 -16.644 1.00 30.11 C ATOM 510 O ARG A 38 -4.087 12.720 -16.637 1.00 72.10 O ATOM 511 CB ARG A 38 -1.793 10.707 -16.667 1.00 1.52 C ATOM 512 CG ARG A 38 -1.898 11.154 -15.217 1.00 54.14 C ATOM 513 CD ARG A 38 -0.543 11.142 -14.530 1.00 73.12 C ATOM 514 NE ARG A 38 -0.022 9.787 -14.372 1.00 30.12 N ATOM 515 CZ ARG A 38 1.264 9.511 -14.181 1.00 32.32 C ATOM 516 NH1 ARG A 38 2.154 10.492 -14.125 1.00 10.24 N ATOM 517 NH2 ARG A 38 1.661 8.252 -14.044 1.00 71.14 N ATOM 0 H ARG A 38 -3.099 12.108 -18.894 1.00 64.42 H new ATOM 0 HA ARG A 38 -3.490 9.616 -17.409 1.00 65.04 H new ATOM 0 HB2 ARG A 38 -1.328 9.722 -16.702 1.00 1.52 H new ATOM 0 HB3 ARG A 38 -1.133 11.390 -17.202 1.00 1.52 H new ATOM 0 HG2 ARG A 38 -2.319 12.158 -15.175 1.00 54.14 H new ATOM 0 HG3 ARG A 38 -2.584 10.498 -14.682 1.00 54.14 H new ATOM 0 HD2 ARG A 38 0.163 11.737 -15.110 1.00 73.12 H new ATOM 0 HD3 ARG A 38 -0.629 11.614 -13.551 1.00 73.12 H new ATOM 0 HE ARG A 38 -0.681 9.010 -14.410 1.00 30.12 H new ATOM 0 HH11 ARG A 38 1.852 11.461 -14.229 1.00 10.24 H new ATOM 0 HH12 ARG A 38 3.140 10.278 -13.978 1.00 10.24 H new ATOM 0 HH21 ARG A 38 0.979 7.495 -14.085 1.00 71.14 H new ATOM 0 HH22 ARG A 38 2.648 8.042 -13.897 1.00 71.14 H new ATOM 531 N GLU A 39 -5.133 10.826 -16.019 1.00 52.31 N ATOM 532 CA GLU A 39 -6.177 11.516 -15.272 1.00 54.22 C ATOM 533 C GLU A 39 -5.875 11.505 -13.777 1.00 23.44 C ATOM 534 O GLU A 39 -5.429 10.496 -13.230 1.00 55.41 O ATOM 535 CB GLU A 39 -7.537 10.868 -15.534 1.00 34.41 C ATOM 536 CG GLU A 39 -8.334 11.546 -16.636 1.00 44.24 C ATOM 537 CD GLU A 39 -8.706 10.594 -17.758 1.00 3.13 C ATOM 538 OE1 GLU A 39 -9.649 9.799 -17.571 1.00 24.41 O ATOM 539 OE2 GLU A 39 -8.053 10.645 -18.821 1.00 10.35 O ATOM 0 H GLU A 39 -5.213 9.809 -16.015 1.00 52.31 H new ATOM 0 HA GLU A 39 -6.206 12.551 -15.611 1.00 54.22 H new ATOM 0 HB2 GLU A 39 -7.386 9.821 -15.798 1.00 34.41 H new ATOM 0 HB3 GLU A 39 -8.120 10.884 -14.613 1.00 34.41 H new ATOM 0 HG2 GLU A 39 -9.242 11.974 -16.212 1.00 44.24 H new ATOM 0 HG3 GLU A 39 -7.752 12.373 -17.044 1.00 44.24 H new ATOM 546 N GLY A 40 -6.122 12.634 -13.119 1.00 71.34 N ATOM 547 CA GLY A 40 -5.870 12.734 -11.694 1.00 32.31 C ATOM 548 C GLY A 40 -7.028 13.359 -10.942 1.00 64.50 C ATOM 549 O GLY A 40 -7.745 14.203 -11.481 1.00 51.11 O ATOM 0 H GLY A 40 -6.493 13.482 -13.549 1.00 71.34 H new ATOM 0 HA2 GLY A 40 -5.675 11.740 -11.292 1.00 32.31 H new ATOM 0 HA3 GLY A 40 -4.971 13.327 -11.528 1.00 32.31 H new ATOM 553 N THR A 41 -7.214 12.945 -9.692 1.00 51.43 N ATOM 554 CA THR A 41 -8.295 13.468 -8.867 1.00 73.21 C ATOM 555 C THR A 41 -7.757 14.074 -7.576 1.00 11.34 C ATOM 556 O THR A 41 -6.806 13.560 -6.987 1.00 32.33 O ATOM 557 CB THR A 41 -9.318 12.370 -8.519 1.00 31.41 C ATOM 558 OG1 THR A 41 -8.955 11.735 -7.288 1.00 5.31 O ATOM 559 CG2 THR A 41 -9.397 11.332 -9.627 1.00 22.42 C ATOM 0 H THR A 41 -6.629 12.249 -9.229 1.00 51.43 H new ATOM 0 HA THR A 41 -8.791 14.244 -9.450 1.00 73.21 H new ATOM 0 HB THR A 41 -10.297 12.838 -8.412 1.00 31.41 H new ATOM 0 HG1 THR A 41 -9.611 11.039 -7.073 1.00 5.31 H new ATOM 0 HG21 THR A 41 -10.126 10.567 -9.358 1.00 22.42 H new ATOM 0 HG22 THR A 41 -9.703 11.814 -10.556 1.00 22.42 H new ATOM 0 HG23 THR A 41 -8.419 10.870 -9.763 1.00 22.42 H new ATOM 567 N CYS A 42 -8.370 15.168 -7.140 1.00 42.53 N ATOM 568 CA CYS A 42 -7.953 15.846 -5.918 1.00 71.32 C ATOM 569 C CYS A 42 -9.163 16.327 -5.123 1.00 33.24 C ATOM 570 O CYS A 42 -9.879 17.232 -5.549 1.00 63.32 O ATOM 571 CB CYS A 42 -7.044 17.031 -6.252 1.00 33.41 C ATOM 572 SG CYS A 42 -6.652 18.091 -4.824 1.00 11.25 S ATOM 0 H CYS A 42 -9.159 15.606 -7.615 1.00 42.53 H new ATOM 0 HA CYS A 42 -7.399 15.133 -5.307 1.00 71.32 H new ATOM 0 HB2 CYS A 42 -6.114 16.654 -6.677 1.00 33.41 H new ATOM 0 HB3 CYS A 42 -7.523 17.637 -7.021 1.00 33.41 H new ATOM 0 HG CYS A 42 -5.878 19.063 -5.205 1.00 11.25 H new ATOM 578 N ASN A 43 -9.384 15.713 -3.964 1.00 21.14 N ATOM 579 CA ASN A 43 -10.507 16.079 -3.109 1.00 15.53 C ATOM 580 C ASN A 43 -11.835 15.777 -3.796 1.00 24.00 C ATOM 581 O ASN A 43 -12.471 14.759 -3.520 1.00 11.42 O ATOM 582 CB ASN A 43 -10.436 17.563 -2.743 1.00 25.32 C ATOM 583 CG ASN A 43 -9.195 17.901 -1.939 1.00 64.31 C ATOM 584 OD1 ASN A 43 -8.565 17.022 -1.350 1.00 21.24 O ATOM 585 ND2 ASN A 43 -8.837 19.180 -1.911 1.00 44.15 N ATOM 0 H ASN A 43 -8.801 14.961 -3.597 1.00 21.14 H new ATOM 0 HA ASN A 43 -10.445 15.484 -2.198 1.00 15.53 H new ATOM 0 HB2 ASN A 43 -10.449 18.160 -3.655 1.00 25.32 H new ATOM 0 HB3 ASN A 43 -11.322 17.836 -2.170 1.00 25.32 H new ATOM 0 HD21 ASN A 43 -8.010 19.467 -1.387 1.00 44.15 H new ATOM 0 HD22 ASN A 43 -9.389 19.875 -2.414 1.00 44.15 H new ATOM 592 N GLU A 44 -12.248 16.668 -4.691 1.00 50.32 N ATOM 593 CA GLU A 44 -13.500 16.496 -5.418 1.00 41.23 C ATOM 594 C GLU A 44 -13.399 17.080 -6.825 1.00 13.54 C ATOM 595 O GLU A 44 -14.396 17.515 -7.400 1.00 50.31 O ATOM 596 CB GLU A 44 -14.651 17.160 -4.659 1.00 60.01 C ATOM 597 CG GLU A 44 -14.499 18.667 -4.521 1.00 74.03 C ATOM 598 CD GLU A 44 -15.545 19.433 -5.307 1.00 54.12 C ATOM 599 OE1 GLU A 44 -16.750 19.213 -5.062 1.00 23.44 O ATOM 600 OE2 GLU A 44 -15.160 20.252 -6.166 1.00 52.20 O ATOM 0 H GLU A 44 -11.734 17.516 -4.930 1.00 50.32 H new ATOM 0 HA GLU A 44 -13.698 15.427 -5.502 1.00 41.23 H new ATOM 0 HB2 GLU A 44 -15.587 16.943 -5.173 1.00 60.01 H new ATOM 0 HB3 GLU A 44 -14.723 16.718 -3.665 1.00 60.01 H new ATOM 0 HG2 GLU A 44 -14.569 18.941 -3.468 1.00 74.03 H new ATOM 0 HG3 GLU A 44 -13.506 18.961 -4.862 1.00 74.03 H new ATOM 607 N GLN A 45 -12.187 17.090 -7.369 1.00 11.32 N ATOM 608 CA GLN A 45 -11.955 17.622 -8.706 1.00 45.31 C ATOM 609 C GLN A 45 -11.069 16.684 -9.520 1.00 51.32 C ATOM 610 O GLN A 45 -10.435 15.780 -8.974 1.00 15.13 O ATOM 611 CB GLN A 45 -11.309 19.007 -8.622 1.00 51.10 C ATOM 612 CG GLN A 45 -11.971 19.926 -7.608 1.00 31.45 C ATOM 613 CD GLN A 45 -11.348 21.307 -7.578 1.00 1.15 C ATOM 614 OE1 GLN A 45 -10.689 21.724 -8.531 1.00 13.32 O ATOM 615 NE2 GLN A 45 -11.552 22.025 -6.480 1.00 4.43 N ATOM 0 H GLN A 45 -11.351 16.736 -6.905 1.00 11.32 H new ATOM 0 HA GLN A 45 -12.919 17.708 -9.207 1.00 45.31 H new ATOM 0 HB2 GLN A 45 -10.256 18.893 -8.364 1.00 51.10 H new ATOM 0 HB3 GLN A 45 -11.347 19.477 -9.605 1.00 51.10 H new ATOM 0 HG2 GLN A 45 -13.032 20.015 -7.842 1.00 31.45 H new ATOM 0 HG3 GLN A 45 -11.900 19.478 -6.617 1.00 31.45 H new ATOM 0 HE21 GLN A 45 -12.105 21.640 -5.714 1.00 4.43 H new ATOM 0 HE22 GLN A 45 -11.156 22.962 -6.402 1.00 4.43 H new ATOM 624 N THR A 46 -11.030 16.904 -10.830 1.00 44.52 N ATOM 625 CA THR A 46 -10.224 16.078 -11.720 1.00 40.11 C ATOM 626 C THR A 46 -9.245 16.927 -12.523 1.00 63.10 C ATOM 627 O THR A 46 -9.411 18.141 -12.637 1.00 40.24 O ATOM 628 CB THR A 46 -11.107 15.274 -12.694 1.00 62.21 C ATOM 629 OG1 THR A 46 -12.237 16.058 -13.091 1.00 73.43 O ATOM 630 CG2 THR A 46 -11.580 13.979 -12.050 1.00 1.41 C ATOM 0 H THR A 46 -11.548 17.648 -11.298 1.00 44.52 H new ATOM 0 HA THR A 46 -9.667 15.385 -11.089 1.00 40.11 H new ATOM 0 HB THR A 46 -10.511 15.027 -13.573 1.00 62.21 H new ATOM 0 HG1 THR A 46 -12.792 15.541 -13.711 1.00 73.43 H new ATOM 0 HG21 THR A 46 -12.202 13.428 -12.755 1.00 1.41 H new ATOM 0 HG22 THR A 46 -10.717 13.372 -11.776 1.00 1.41 H new ATOM 0 HG23 THR A 46 -12.161 14.208 -11.157 1.00 1.41 H new ATOM 638 N ARG A 47 -8.224 16.281 -13.078 1.00 34.32 N ATOM 639 CA ARG A 47 -7.219 16.977 -13.870 1.00 3.42 C ATOM 640 C ARG A 47 -6.741 16.108 -15.029 1.00 24.53 C ATOM 641 O ARG A 47 -6.849 14.882 -14.985 1.00 32.50 O ATOM 642 CB ARG A 47 -6.031 17.373 -12.991 1.00 20.04 C ATOM 643 CG ARG A 47 -5.020 18.261 -13.697 1.00 24.14 C ATOM 644 CD ARG A 47 -5.667 19.535 -14.219 1.00 4.45 C ATOM 645 NE ARG A 47 -4.862 20.718 -13.924 1.00 62.44 N ATOM 646 CZ ARG A 47 -5.287 21.961 -14.112 1.00 1.51 C ATOM 647 NH1 ARG A 47 -6.503 22.185 -14.592 1.00 34.12 N ATOM 648 NH2 ARG A 47 -4.496 22.986 -13.819 1.00 51.43 N ATOM 0 H ARG A 47 -8.072 15.276 -12.993 1.00 34.32 H new ATOM 0 HA ARG A 47 -7.676 17.878 -14.280 1.00 3.42 H new ATOM 0 HB2 ARG A 47 -6.401 17.891 -12.106 1.00 20.04 H new ATOM 0 HB3 ARG A 47 -5.529 16.470 -12.645 1.00 20.04 H new ATOM 0 HG2 ARG A 47 -4.215 18.516 -13.008 1.00 24.14 H new ATOM 0 HG3 ARG A 47 -4.570 17.714 -14.526 1.00 24.14 H new ATOM 0 HD2 ARG A 47 -5.811 19.454 -15.296 1.00 4.45 H new ATOM 0 HD3 ARG A 47 -6.655 19.649 -13.773 1.00 4.45 H new ATOM 0 HE ARG A 47 -3.922 20.581 -13.553 1.00 62.44 H new ATOM 0 HH11 ARG A 47 -7.115 21.401 -14.818 1.00 34.12 H new ATOM 0 HH12 ARG A 47 -6.826 23.142 -14.735 1.00 34.12 H new ATOM 0 HH21 ARG A 47 -3.560 22.819 -13.449 1.00 51.43 H new ATOM 0 HH22 ARG A 47 -4.824 23.941 -13.964 1.00 51.43 H new ATOM 662 N LYS A 48 -6.212 16.749 -16.065 1.00 22.02 N ATOM 663 CA LYS A 48 -5.717 16.036 -17.235 1.00 63.21 C ATOM 664 C LYS A 48 -4.287 16.455 -17.564 1.00 1.44 C ATOM 665 O LYS A 48 -3.968 17.646 -17.587 1.00 20.41 O ATOM 666 CB LYS A 48 -6.625 16.296 -18.439 1.00 23.13 C ATOM 667 CG LYS A 48 -7.837 15.384 -18.494 1.00 52.32 C ATOM 668 CD LYS A 48 -8.962 16.000 -19.309 1.00 31.41 C ATOM 669 CE LYS A 48 -10.283 15.288 -19.063 1.00 43.05 C ATOM 670 NZ LYS A 48 -11.326 16.215 -18.543 1.00 43.41 N ATOM 0 H LYS A 48 -6.115 17.763 -16.118 1.00 22.02 H new ATOM 0 HA LYS A 48 -5.721 14.970 -17.008 1.00 63.21 H new ATOM 0 HB2 LYS A 48 -6.961 17.332 -18.413 1.00 23.13 H new ATOM 0 HB3 LYS A 48 -6.046 16.172 -19.354 1.00 23.13 H new ATOM 0 HG2 LYS A 48 -7.553 14.426 -18.930 1.00 52.32 H new ATOM 0 HG3 LYS A 48 -8.188 15.182 -17.482 1.00 52.32 H new ATOM 0 HD2 LYS A 48 -9.063 17.055 -19.053 1.00 31.41 H new ATOM 0 HD3 LYS A 48 -8.713 15.952 -20.369 1.00 31.41 H new ATOM 0 HE2 LYS A 48 -10.630 14.836 -19.992 1.00 43.05 H new ATOM 0 HE3 LYS A 48 -10.131 14.477 -18.351 1.00 43.05 H new ATOM 0 HZ1 LYS A 48 -12.211 15.691 -18.389 1.00 43.41 H new ATOM 0 HZ2 LYS A 48 -11.007 16.627 -17.643 1.00 43.41 H new ATOM 0 HZ3 LYS A 48 -11.490 16.975 -19.233 1.00 43.41 H new ATOM 684 N VAL A 49 -3.429 15.473 -17.819 1.00 33.00 N ATOM 685 CA VAL A 49 -2.034 15.741 -18.149 1.00 35.10 C ATOM 686 C VAL A 49 -1.469 14.662 -19.065 1.00 73.41 C ATOM 687 O VAL A 49 -1.800 13.483 -18.932 1.00 41.01 O ATOM 688 CB VAL A 49 -1.165 15.829 -16.881 1.00 31.24 C ATOM 689 CG1 VAL A 49 -1.719 16.874 -15.924 1.00 64.11 C ATOM 690 CG2 VAL A 49 -1.074 14.469 -16.203 1.00 23.43 C ATOM 0 H VAL A 49 -3.675 14.483 -17.803 1.00 33.00 H new ATOM 0 HA VAL A 49 -2.009 16.701 -18.665 1.00 35.10 H new ATOM 0 HB VAL A 49 -0.160 16.134 -17.171 1.00 31.24 H new ATOM 0 HG11 VAL A 49 -1.091 16.921 -15.034 1.00 64.11 H new ATOM 0 HG12 VAL A 49 -1.728 17.848 -16.414 1.00 64.11 H new ATOM 0 HG13 VAL A 49 -2.735 16.603 -15.637 1.00 64.11 H new ATOM 0 HG21 VAL A 49 -0.456 14.549 -15.309 1.00 23.43 H new ATOM 0 HG22 VAL A 49 -2.073 14.133 -15.925 1.00 23.43 H new ATOM 0 HG23 VAL A 49 -0.627 13.749 -16.889 1.00 23.43 H new ATOM 700 N LYS A 50 -0.616 15.072 -19.996 1.00 60.32 N ATOM 701 CA LYS A 50 -0.002 14.142 -20.936 1.00 64.43 C ATOM 702 C LYS A 50 1.115 13.349 -20.265 1.00 34.15 C ATOM 703 O LYS A 50 2.040 13.923 -19.690 1.00 54.43 O ATOM 704 CB LYS A 50 0.551 14.897 -22.147 1.00 21.44 C ATOM 705 CG LYS A 50 -0.504 15.681 -22.908 1.00 63.44 C ATOM 706 CD LYS A 50 -1.361 14.769 -23.771 1.00 12.52 C ATOM 707 CE LYS A 50 -2.830 15.152 -23.698 1.00 13.32 C ATOM 708 NZ LYS A 50 -3.038 16.607 -23.940 1.00 2.43 N ATOM 0 H LYS A 50 -0.333 16.044 -20.120 1.00 60.32 H new ATOM 0 HA LYS A 50 -0.770 13.444 -21.271 1.00 64.43 H new ATOM 0 HB2 LYS A 50 1.330 15.582 -21.813 1.00 21.44 H new ATOM 0 HB3 LYS A 50 1.022 14.185 -22.825 1.00 21.44 H new ATOM 0 HG2 LYS A 50 -1.138 16.218 -22.203 1.00 63.44 H new ATOM 0 HG3 LYS A 50 -0.020 16.429 -23.536 1.00 63.44 H new ATOM 0 HD2 LYS A 50 -1.021 14.821 -24.805 1.00 12.52 H new ATOM 0 HD3 LYS A 50 -1.237 13.736 -23.446 1.00 12.52 H new ATOM 0 HE2 LYS A 50 -3.392 14.578 -24.435 1.00 13.32 H new ATOM 0 HE3 LYS A 50 -3.226 14.887 -22.718 1.00 13.32 H new ATOM 0 HZ1 LYS A 50 -4.007 16.767 -24.282 1.00 2.43 H new ATOM 0 HZ2 LYS A 50 -2.893 17.131 -23.053 1.00 2.43 H new ATOM 0 HZ3 LYS A 50 -2.359 16.941 -24.654 1.00 2.43 H new ATOM 722 N CYS A 51 1.025 12.025 -20.344 1.00 22.20 N ATOM 723 CA CYS A 51 2.028 11.153 -19.745 1.00 74.21 C ATOM 724 C CYS A 51 2.472 10.077 -20.734 1.00 25.35 C ATOM 725 O CYS A 51 1.898 9.936 -21.813 1.00 4.11 O ATOM 726 CB CYS A 51 1.474 10.499 -18.478 1.00 24.00 C ATOM 727 SG CYS A 51 0.360 9.092 -18.792 1.00 52.21 S ATOM 0 H CYS A 51 0.267 11.533 -20.817 1.00 22.20 H new ATOM 0 HA CYS A 51 2.894 11.761 -19.483 1.00 74.21 H new ATOM 0 HB2 CYS A 51 2.308 10.158 -17.864 1.00 24.00 H new ATOM 0 HB3 CYS A 51 0.938 11.251 -17.899 1.00 24.00 H new ATOM 733 N ARG A 52 3.499 9.322 -20.354 1.00 51.35 N ATOM 734 CA ARG A 52 4.022 8.261 -21.206 1.00 70.13 C ATOM 735 C ARG A 52 3.512 6.897 -20.749 1.00 44.03 C ATOM 736 O ARG A 52 3.334 6.657 -19.555 1.00 51.13 O ATOM 737 CB ARG A 52 5.551 8.277 -21.197 1.00 22.43 C ATOM 738 CG ARG A 52 6.169 8.362 -22.582 1.00 50.30 C ATOM 739 CD ARG A 52 5.704 9.607 -23.323 1.00 4.11 C ATOM 740 NE ARG A 52 6.819 10.487 -23.668 1.00 34.30 N ATOM 741 CZ ARG A 52 7.611 10.290 -24.715 1.00 2.10 C ATOM 742 NH1 ARG A 52 7.414 9.252 -25.516 1.00 20.14 N ATOM 743 NH2 ARG A 52 8.605 11.135 -24.964 1.00 32.45 N ATOM 0 H ARG A 52 3.984 9.426 -19.463 1.00 51.35 H new ATOM 0 HA ARG A 52 3.671 8.439 -22.223 1.00 70.13 H new ATOM 0 HB2 ARG A 52 5.893 9.125 -20.604 1.00 22.43 H new ATOM 0 HB3 ARG A 52 5.912 7.375 -20.702 1.00 22.43 H new ATOM 0 HG2 ARG A 52 7.256 8.372 -22.497 1.00 50.30 H new ATOM 0 HG3 ARG A 52 5.902 7.475 -23.156 1.00 50.30 H new ATOM 0 HD2 ARG A 52 5.179 9.313 -24.232 1.00 4.11 H new ATOM 0 HD3 ARG A 52 4.990 10.151 -22.705 1.00 4.11 H new ATOM 0 HE ARG A 52 6.998 11.296 -23.073 1.00 34.30 H new ATOM 0 HH11 ARG A 52 6.651 8.601 -25.329 1.00 20.14 H new ATOM 0 HH12 ARG A 52 8.025 9.105 -26.319 1.00 20.14 H new ATOM 0 HH21 ARG A 52 8.760 11.935 -24.351 1.00 32.45 H new ATOM 0 HH22 ARG A 52 9.214 10.984 -25.768 1.00 32.45 H new ATOM 757 N VAL A 53 3.280 6.006 -21.709 1.00 32.32 N ATOM 758 CA VAL A 53 2.792 4.666 -21.405 1.00 11.35 C ATOM 759 C VAL A 53 3.844 3.611 -21.732 1.00 2.10 C ATOM 760 O VAL A 53 3.720 2.854 -22.693 1.00 42.02 O ATOM 761 CB VAL A 53 1.503 4.349 -22.184 1.00 73.43 C ATOM 762 CG1 VAL A 53 0.831 3.105 -21.621 1.00 33.44 C ATOM 763 CG2 VAL A 53 0.555 5.538 -22.152 1.00 71.50 C ATOM 0 H VAL A 53 3.422 6.188 -22.702 1.00 32.32 H new ATOM 0 HA VAL A 53 2.577 4.641 -20.337 1.00 11.35 H new ATOM 0 HB VAL A 53 1.766 4.152 -23.223 1.00 73.43 H new ATOM 0 HG11 VAL A 53 -0.079 2.896 -22.184 1.00 33.44 H new ATOM 0 HG12 VAL A 53 1.510 2.256 -21.702 1.00 33.44 H new ATOM 0 HG13 VAL A 53 0.579 3.270 -20.573 1.00 33.44 H new ATOM 0 HG21 VAL A 53 -0.351 5.296 -22.708 1.00 71.50 H new ATOM 0 HG22 VAL A 53 0.296 5.769 -21.119 1.00 71.50 H new ATOM 0 HG23 VAL A 53 1.040 6.402 -22.607 1.00 71.50 H new ATOM 773 N PRO A 54 4.904 3.559 -20.912 1.00 4.21 N ATOM 774 CA PRO A 54 5.999 2.601 -21.093 1.00 44.22 C ATOM 775 C PRO A 54 5.572 1.169 -20.790 1.00 74.04 C ATOM 776 O PRO A 54 5.369 0.803 -19.632 1.00 64.13 O ATOM 777 CB PRO A 54 7.052 3.069 -20.087 1.00 15.33 C ATOM 778 CG PRO A 54 6.278 3.790 -19.037 1.00 12.20 C ATOM 779 CD PRO A 54 5.118 4.432 -19.746 1.00 4.40 C ATOM 0 HA PRO A 54 6.355 2.580 -22.123 1.00 44.22 H new ATOM 0 HB2 PRO A 54 7.600 2.226 -19.666 1.00 15.33 H new ATOM 0 HB3 PRO A 54 7.786 3.723 -20.557 1.00 15.33 H new ATOM 0 HG2 PRO A 54 5.932 3.102 -18.266 1.00 12.20 H new ATOM 0 HG3 PRO A 54 6.896 4.539 -18.542 1.00 12.20 H new ATOM 0 HD2 PRO A 54 4.234 4.477 -19.110 1.00 4.40 H new ATOM 0 HD3 PRO A 54 5.347 5.454 -20.046 1.00 4.40 H new ATOM 787 N CYS A 55 5.434 0.363 -21.838 1.00 32.35 N ATOM 788 CA CYS A 55 5.031 -1.030 -21.683 1.00 74.53 C ATOM 789 C CYS A 55 6.232 -1.910 -21.354 1.00 64.03 C ATOM 790 O CYS A 55 7.174 -2.013 -22.139 1.00 72.32 O ATOM 791 CB CYS A 55 4.351 -1.530 -22.959 1.00 3.34 C ATOM 792 SG CYS A 55 2.645 -0.932 -23.178 1.00 0.53 S ATOM 0 H CYS A 55 5.595 0.651 -22.803 1.00 32.35 H new ATOM 0 HA CYS A 55 4.324 -1.088 -20.856 1.00 74.53 H new ATOM 0 HB2 CYS A 55 4.946 -1.222 -23.819 1.00 3.34 H new ATOM 0 HB3 CYS A 55 4.344 -2.620 -22.951 1.00 3.34 H new ATOM 798 N ASN A 56 6.191 -2.546 -20.187 1.00 35.55 N ATOM 799 CA ASN A 56 7.275 -3.419 -19.753 1.00 62.23 C ATOM 800 C ASN A 56 6.990 -3.997 -18.370 1.00 10.14 C ATOM 801 O ASN A 56 7.357 -5.133 -18.073 1.00 23.23 O ATOM 802 CB ASN A 56 8.599 -2.652 -19.733 1.00 12.41 C ATOM 803 CG ASN A 56 8.430 -1.218 -19.263 1.00 65.34 C ATOM 804 OD1 ASN A 56 8.209 -0.312 -20.066 1.00 2.32 O ATOM 805 ND2 ASN A 56 8.532 -1.010 -17.956 1.00 24.51 N ATOM 0 H ASN A 56 5.418 -2.473 -19.525 1.00 35.55 H new ATOM 0 HA ASN A 56 7.349 -4.243 -20.463 1.00 62.23 H new ATOM 0 HB2 ASN A 56 9.303 -3.165 -19.078 1.00 12.41 H new ATOM 0 HB3 ASN A 56 9.033 -2.655 -20.733 1.00 12.41 H new ATOM 0 HD21 ASN A 56 8.426 -0.068 -17.580 1.00 24.51 H new ATOM 0 HD22 ASN A 56 8.716 -1.792 -17.328 1.00 24.51 H new ATOM 944 N CYS A 65 13.531 -3.004 -9.791 1.00 1.40 N ATOM 945 CA CYS A 65 14.157 -2.067 -10.715 1.00 65.13 C ATOM 946 C CYS A 65 15.367 -2.701 -11.396 1.00 62.34 C ATOM 947 O CYS A 65 16.211 -3.314 -10.742 1.00 3.05 O ATOM 948 CB CYS A 65 14.582 -0.796 -9.977 1.00 54.12 C ATOM 949 SG CYS A 65 15.471 -1.104 -8.418 1.00 10.31 S ATOM 0 HA CYS A 65 13.425 -1.807 -11.480 1.00 65.13 H new ATOM 0 HB2 CYS A 65 15.218 -0.202 -10.634 1.00 54.12 H new ATOM 0 HB3 CYS A 65 13.696 -0.198 -9.765 1.00 54.12 H new ATOM 955 N LYS A 66 15.444 -2.550 -12.714 1.00 64.10 N ATOM 956 CA LYS A 66 16.550 -3.106 -13.485 1.00 44.41 C ATOM 957 C LYS A 66 17.796 -2.234 -13.356 1.00 54.41 C ATOM 958 O LYS A 66 17.700 -1.015 -13.209 1.00 35.35 O ATOM 959 CB LYS A 66 16.157 -3.237 -14.958 1.00 20.34 C ATOM 960 CG LYS A 66 16.968 -4.274 -15.714 1.00 3.03 C ATOM 961 CD LYS A 66 16.073 -5.310 -16.375 1.00 2.31 C ATOM 962 CE LYS A 66 15.384 -4.745 -17.608 1.00 4.42 C ATOM 963 NZ LYS A 66 16.126 -5.073 -18.856 1.00 42.25 N ATOM 0 H LYS A 66 14.753 -2.047 -13.271 1.00 64.10 H new ATOM 0 HA LYS A 66 16.777 -4.095 -13.086 1.00 44.41 H new ATOM 0 HB2 LYS A 66 15.100 -3.497 -15.022 1.00 20.34 H new ATOM 0 HB3 LYS A 66 16.277 -2.269 -15.445 1.00 20.34 H new ATOM 0 HG2 LYS A 66 17.575 -3.780 -16.472 1.00 3.03 H new ATOM 0 HG3 LYS A 66 17.655 -4.770 -15.029 1.00 3.03 H new ATOM 0 HD2 LYS A 66 16.667 -6.180 -16.655 1.00 2.31 H new ATOM 0 HD3 LYS A 66 15.323 -5.652 -15.662 1.00 2.31 H new ATOM 0 HE2 LYS A 66 14.371 -5.143 -17.672 1.00 4.42 H new ATOM 0 HE3 LYS A 66 15.296 -3.663 -17.511 1.00 4.42 H new ATOM 0 HZ1 LYS A 66 15.625 -4.671 -19.674 1.00 42.25 H new ATOM 0 HZ2 LYS A 66 17.084 -4.672 -18.806 1.00 42.25 H new ATOM 0 HZ3 LYS A 66 16.188 -6.106 -18.962 1.00 42.25 H new ATOM 977 N TYR A 67 18.962 -2.865 -13.414 1.00 40.34 N ATOM 978 CA TYR A 67 20.226 -2.147 -13.303 1.00 51.13 C ATOM 979 C TYR A 67 21.073 -2.335 -14.559 1.00 14.01 C ATOM 980 O TYR A 67 20.743 -3.142 -15.428 1.00 63.11 O ATOM 981 CB TYR A 67 21.002 -2.624 -12.075 1.00 72.32 C ATOM 982 CG TYR A 67 20.680 -1.851 -10.816 1.00 70.32 C ATOM 983 CD1 TYR A 67 19.478 -2.045 -10.147 1.00 45.50 C ATOM 984 CD2 TYR A 67 21.579 -0.929 -10.294 1.00 53.44 C ATOM 985 CE1 TYR A 67 19.179 -1.340 -8.997 1.00 1.25 C ATOM 986 CE2 TYR A 67 21.289 -0.220 -9.145 1.00 55.23 C ATOM 987 CZ TYR A 67 20.088 -0.429 -8.500 1.00 71.24 C ATOM 988 OH TYR A 67 19.794 0.274 -7.354 1.00 60.40 O ATOM 0 H TYR A 67 19.059 -3.873 -13.537 1.00 40.34 H new ATOM 0 HA TYR A 67 20.002 -1.086 -13.193 1.00 51.13 H new ATOM 0 HB2 TYR A 67 20.788 -3.680 -11.908 1.00 72.32 H new ATOM 0 HB3 TYR A 67 22.070 -2.544 -12.277 1.00 72.32 H new ATOM 0 HD1 TYR A 67 18.765 -2.759 -10.532 1.00 45.50 H new ATOM 0 HD2 TYR A 67 22.521 -0.764 -10.796 1.00 53.44 H new ATOM 0 HE1 TYR A 67 18.239 -1.501 -8.490 1.00 1.25 H new ATOM 0 HE2 TYR A 67 21.999 0.494 -8.754 1.00 55.23 H new ATOM 0 HH TYR A 67 20.194 1.167 -7.407 1.00 60.40 H new ATOM 998 N LYS A 68 22.166 -1.585 -14.646 1.00 74.20 N ATOM 999 CA LYS A 68 23.062 -1.669 -15.791 1.00 63.14 C ATOM 1000 C LYS A 68 24.361 -2.375 -15.416 1.00 65.20 C ATOM 1001 O LYS A 68 25.279 -1.761 -14.870 1.00 52.13 O ATOM 1002 CB LYS A 68 23.368 -0.269 -16.329 1.00 52.32 C ATOM 1003 CG LYS A 68 24.442 -0.251 -17.403 1.00 51.25 C ATOM 1004 CD LYS A 68 23.957 0.440 -18.667 1.00 11.50 C ATOM 1005 CE LYS A 68 23.997 1.953 -18.524 1.00 5.42 C ATOM 1006 NZ LYS A 68 23.520 2.640 -19.756 1.00 41.01 N ATOM 0 H LYS A 68 22.452 -0.911 -13.936 1.00 74.20 H new ATOM 0 HA LYS A 68 22.564 -2.250 -16.567 1.00 63.14 H new ATOM 0 HB2 LYS A 68 22.453 0.163 -16.735 1.00 52.32 H new ATOM 0 HB3 LYS A 68 23.682 0.368 -15.502 1.00 52.32 H new ATOM 0 HG2 LYS A 68 25.327 0.260 -17.025 1.00 51.25 H new ATOM 0 HG3 LYS A 68 24.740 -1.273 -17.638 1.00 51.25 H new ATOM 0 HD2 LYS A 68 24.578 0.136 -19.510 1.00 11.50 H new ATOM 0 HD3 LYS A 68 22.939 0.121 -18.890 1.00 11.50 H new ATOM 0 HE2 LYS A 68 23.379 2.254 -17.678 1.00 5.42 H new ATOM 0 HE3 LYS A 68 25.016 2.270 -18.303 1.00 5.42 H new ATOM 0 HZ1 LYS A 68 23.563 3.670 -19.618 1.00 41.01 H new ATOM 0 HZ2 LYS A 68 24.125 2.373 -20.559 1.00 41.01 H new ATOM 0 HZ3 LYS A 68 22.539 2.358 -19.953 1.00 41.01 H new ATOM 1020 N PHE A 69 24.434 -3.668 -15.713 1.00 3.13 N ATOM 1021 CA PHE A 69 25.621 -4.457 -15.406 1.00 71.31 C ATOM 1022 C PHE A 69 26.624 -4.398 -16.555 1.00 3.03 C ATOM 1023 O PHE A 69 26.247 -4.249 -17.716 1.00 44.11 O ATOM 1024 CB PHE A 69 25.236 -5.911 -15.127 1.00 34.12 C ATOM 1025 CG PHE A 69 24.497 -6.096 -13.831 1.00 52.04 C ATOM 1026 CD1 PHE A 69 24.923 -5.458 -12.679 1.00 32.23 C ATOM 1027 CD2 PHE A 69 23.377 -6.909 -13.768 1.00 31.23 C ATOM 1028 CE1 PHE A 69 24.247 -5.626 -11.485 1.00 53.31 C ATOM 1029 CE2 PHE A 69 22.695 -7.080 -12.577 1.00 60.34 C ATOM 1030 CZ PHE A 69 23.130 -6.439 -11.434 1.00 65.04 C ATOM 0 H PHE A 69 23.685 -4.192 -16.166 1.00 3.13 H new ATOM 0 HA PHE A 69 26.087 -4.034 -14.516 1.00 71.31 H new ATOM 0 HB2 PHE A 69 24.617 -6.278 -15.945 1.00 34.12 H new ATOM 0 HB3 PHE A 69 26.139 -6.521 -15.112 1.00 34.12 H new ATOM 0 HD1 PHE A 69 25.794 -4.821 -12.713 1.00 32.23 H new ATOM 0 HD2 PHE A 69 23.033 -7.415 -14.658 1.00 31.23 H new ATOM 0 HE1 PHE A 69 24.591 -5.123 -10.593 1.00 53.31 H new ATOM 0 HE2 PHE A 69 21.822 -7.715 -12.541 1.00 60.34 H new ATOM 0 HZ PHE A 69 22.599 -6.572 -10.503 1.00 65.04 H new ATOM 1040 N GLY A 70 27.905 -4.516 -16.220 1.00 2.42 N ATOM 1041 CA GLY A 70 28.945 -4.473 -17.233 1.00 74.15 C ATOM 1042 C GLY A 70 29.213 -5.833 -17.846 1.00 55.13 C ATOM 1043 O GLY A 70 28.788 -6.110 -18.967 1.00 10.31 O ATOM 0 H GLY A 70 28.242 -4.641 -15.265 1.00 2.42 H new ATOM 0 HA2 GLY A 70 28.655 -3.775 -18.018 1.00 74.15 H new ATOM 0 HA3 GLY A 70 29.864 -4.090 -16.790 1.00 74.15 H new ATOM 1047 N ASN A 71 29.922 -6.683 -17.110 1.00 33.10 N ATOM 1048 CA ASN A 71 30.248 -8.021 -17.590 1.00 50.32 C ATOM 1049 C ASN A 71 30.990 -8.817 -16.520 1.00 12.32 C ATOM 1050 O ASN A 71 31.911 -9.576 -16.824 1.00 35.32 O ATOM 1051 CB ASN A 71 31.097 -7.937 -18.860 1.00 3.23 C ATOM 1052 CG ASN A 71 30.880 -9.122 -19.781 1.00 23.12 C ATOM 1053 OD1 ASN A 71 31.297 -10.240 -19.479 1.00 62.45 O ATOM 1054 ND2 ASN A 71 30.224 -8.880 -20.909 1.00 61.15 N ATOM 0 H ASN A 71 30.281 -6.469 -16.180 1.00 33.10 H new ATOM 0 HA ASN A 71 29.315 -8.536 -17.818 1.00 50.32 H new ATOM 0 HB2 ASN A 71 30.857 -7.017 -19.394 1.00 3.23 H new ATOM 0 HB3 ASN A 71 32.151 -7.881 -18.586 1.00 3.23 H new ATOM 0 HD21 ASN A 71 30.047 -9.638 -21.568 1.00 61.15 H new ATOM 0 HD22 ASN A 71 29.897 -7.936 -21.117 1.00 61.15 H new ATOM 1061 N TRP A 72 30.583 -8.636 -15.269 1.00 64.00 N ATOM 1062 CA TRP A 72 31.209 -9.338 -14.153 1.00 3.03 C ATOM 1063 C TRP A 72 32.660 -8.902 -13.981 1.00 50.24 C ATOM 1064 O TRP A 72 33.331 -8.548 -14.950 1.00 53.10 O ATOM 1065 CB TRP A 72 31.141 -10.850 -14.372 1.00 70.01 C ATOM 1066 CG TRP A 72 29.763 -11.341 -14.699 1.00 54.35 C ATOM 1067 CD1 TRP A 72 29.295 -11.718 -15.925 1.00 44.22 C ATOM 1068 CD2 TRP A 72 28.672 -11.505 -13.786 1.00 64.30 C ATOM 1069 NE1 TRP A 72 27.982 -12.107 -15.830 1.00 72.30 N ATOM 1070 CE2 TRP A 72 27.576 -11.988 -14.528 1.00 14.24 C ATOM 1071 CE3 TRP A 72 28.516 -11.296 -12.413 1.00 45.22 C ATOM 1072 CZ2 TRP A 72 26.344 -12.260 -13.942 1.00 14.15 C ATOM 1073 CZ3 TRP A 72 27.293 -11.566 -11.833 1.00 35.13 C ATOM 1074 CH2 TRP A 72 26.218 -12.045 -12.595 1.00 5.24 C ATOM 0 H TRP A 72 29.823 -8.010 -15.001 1.00 64.00 H new ATOM 0 HA TRP A 72 30.663 -9.085 -13.245 1.00 3.03 H new ATOM 0 HB2 TRP A 72 31.818 -11.124 -15.181 1.00 70.01 H new ATOM 0 HB3 TRP A 72 31.496 -11.356 -13.474 1.00 70.01 H new ATOM 0 HD1 TRP A 72 29.874 -11.711 -16.837 1.00 44.22 H new ATOM 0 HE1 TRP A 72 27.403 -12.432 -16.604 1.00 72.30 H new ATOM 0 HE3 TRP A 72 29.338 -10.930 -11.816 1.00 45.22 H new ATOM 0 HZ2 TRP A 72 25.515 -12.628 -14.529 1.00 14.15 H new ATOM 0 HZ3 TRP A 72 27.162 -11.405 -10.773 1.00 35.13 H new ATOM 0 HH2 TRP A 72 25.274 -12.248 -12.111 1.00 5.24 H new ATOM 1085 N GLY A 73 33.138 -8.931 -12.742 1.00 0.24 N ATOM 1086 CA GLY A 73 34.507 -8.535 -12.466 1.00 25.41 C ATOM 1087 C GLY A 73 35.468 -9.707 -12.505 1.00 21.24 C ATOM 1088 O GLY A 73 35.181 -10.733 -13.120 1.00 54.32 O ATOM 0 H GLY A 73 32.602 -9.221 -11.924 1.00 0.24 H new ATOM 0 HA2 GLY A 73 34.820 -7.788 -13.195 1.00 25.41 H new ATOM 0 HA3 GLY A 73 34.555 -8.062 -11.485 1.00 25.41 H new ATOM 1092 N GLU A 74 36.612 -9.554 -11.846 1.00 45.14 N ATOM 1093 CA GLU A 74 37.619 -10.609 -11.812 1.00 1.14 C ATOM 1094 C GLU A 74 37.249 -11.680 -10.791 1.00 21.44 C ATOM 1095 O GLU A 74 36.934 -11.375 -9.641 1.00 34.13 O ATOM 1096 CB GLU A 74 38.993 -10.021 -11.477 1.00 74.32 C ATOM 1097 CG GLU A 74 39.075 -9.422 -10.083 1.00 21.31 C ATOM 1098 CD GLU A 74 39.873 -10.282 -9.123 1.00 70.05 C ATOM 1099 OE1 GLU A 74 39.579 -11.493 -9.029 1.00 31.31 O ATOM 1100 OE2 GLU A 74 40.790 -9.746 -8.466 1.00 52.20 O ATOM 0 H GLU A 74 36.865 -8.712 -11.329 1.00 45.14 H new ATOM 0 HA GLU A 74 37.660 -11.071 -12.798 1.00 1.14 H new ATOM 0 HB2 GLU A 74 39.746 -10.803 -11.572 1.00 74.32 H new ATOM 0 HB3 GLU A 74 39.238 -9.251 -12.209 1.00 74.32 H new ATOM 0 HG2 GLU A 74 39.530 -8.433 -10.143 1.00 21.31 H new ATOM 0 HG3 GLU A 74 38.067 -9.286 -9.691 1.00 21.31 H new ATOM 1107 N CYS A 75 37.290 -12.937 -11.220 1.00 40.21 N ATOM 1108 CA CYS A 75 36.958 -14.056 -10.345 1.00 43.42 C ATOM 1109 C CYS A 75 38.161 -14.456 -9.495 1.00 33.31 C ATOM 1110 O CYS A 75 39.241 -14.729 -10.018 1.00 41.23 O ATOM 1111 CB CYS A 75 36.482 -15.252 -11.171 1.00 44.30 C ATOM 1112 SG CYS A 75 35.178 -14.851 -12.378 1.00 1.51 S ATOM 0 H CYS A 75 37.550 -13.207 -12.169 1.00 40.21 H new ATOM 0 HA CYS A 75 36.154 -13.740 -9.680 1.00 43.42 H new ATOM 0 HB2 CYS A 75 37.335 -15.676 -11.701 1.00 44.30 H new ATOM 0 HB3 CYS A 75 36.112 -16.023 -10.495 1.00 44.30 H new ATOM 1118 N ASP A 76 37.964 -14.491 -8.182 1.00 74.21 N ATOM 1119 CA ASP A 76 39.030 -14.859 -7.259 1.00 33.25 C ATOM 1120 C ASP A 76 38.890 -16.313 -6.819 1.00 75.33 C ATOM 1121 O ASP A 76 37.993 -16.656 -6.049 1.00 11.43 O ATOM 1122 CB ASP A 76 39.015 -13.940 -6.036 1.00 63.02 C ATOM 1123 CG ASP A 76 39.922 -12.736 -6.206 1.00 44.44 C ATOM 1124 OD1 ASP A 76 41.134 -12.933 -6.431 1.00 3.34 O ATOM 1125 OD2 ASP A 76 39.417 -11.597 -6.116 1.00 62.00 O ATOM 0 H ASP A 76 37.075 -14.269 -7.733 1.00 74.21 H new ATOM 0 HA ASP A 76 39.982 -14.745 -7.778 1.00 33.25 H new ATOM 0 HB2 ASP A 76 37.996 -13.600 -5.853 1.00 63.02 H new ATOM 0 HB3 ASP A 76 39.326 -14.504 -5.157 1.00 63.02 H new ATOM 1130 N ALA A 77 39.782 -17.165 -7.314 1.00 12.51 N ATOM 1131 CA ALA A 77 39.758 -18.581 -6.971 1.00 61.34 C ATOM 1132 C ALA A 77 39.922 -18.786 -5.470 1.00 63.41 C ATOM 1133 O ALA A 77 39.584 -19.843 -4.937 1.00 3.44 O ATOM 1134 CB ALA A 77 40.846 -19.327 -7.731 1.00 11.23 C ATOM 0 H ALA A 77 40.530 -16.899 -7.954 1.00 12.51 H new ATOM 0 HA ALA A 77 38.787 -18.983 -7.261 1.00 61.34 H new ATOM 0 HB1 ALA A 77 40.816 -20.384 -7.465 1.00 11.23 H new ATOM 0 HB2 ALA A 77 40.681 -19.218 -8.803 1.00 11.23 H new ATOM 0 HB3 ALA A 77 41.820 -18.914 -7.470 1.00 11.23 H new ATOM 1140 N ALA A 78 40.446 -17.769 -4.793 1.00 23.32 N ATOM 1141 CA ALA A 78 40.655 -17.837 -3.351 1.00 34.11 C ATOM 1142 C ALA A 78 39.326 -17.872 -2.606 1.00 31.51 C ATOM 1143 O ALA A 78 39.245 -18.368 -1.481 1.00 53.20 O ATOM 1144 CB ALA A 78 41.495 -16.659 -2.884 1.00 2.54 C ATOM 0 H ALA A 78 40.734 -16.888 -5.220 1.00 23.32 H new ATOM 0 HA ALA A 78 41.190 -18.760 -3.128 1.00 34.11 H new ATOM 0 HB1 ALA A 78 41.643 -16.722 -1.806 1.00 2.54 H new ATOM 0 HB2 ALA A 78 42.463 -16.681 -3.385 1.00 2.54 H new ATOM 0 HB3 ALA A 78 40.982 -15.728 -3.126 1.00 2.54 H new ATOM 1150 N THR A 79 38.283 -17.341 -3.238 1.00 0.15 N ATOM 1151 CA THR A 79 36.958 -17.308 -2.633 1.00 33.12 C ATOM 1152 C THR A 79 35.927 -17.982 -3.531 1.00 74.10 C ATOM 1153 O THR A 79 34.763 -18.126 -3.158 1.00 34.13 O ATOM 1154 CB THR A 79 36.506 -15.865 -2.345 1.00 2.43 C ATOM 1155 OG1 THR A 79 35.212 -15.868 -1.731 1.00 63.00 O ATOM 1156 CG2 THR A 79 36.463 -15.046 -3.626 1.00 41.31 C ATOM 0 H THR A 79 38.331 -16.928 -4.169 1.00 0.15 H new ATOM 0 HA THR A 79 37.028 -17.853 -1.691 1.00 33.12 H new ATOM 0 HB THR A 79 37.228 -15.411 -1.666 1.00 2.43 H new ATOM 0 HG1 THR A 79 34.574 -15.402 -2.311 1.00 63.00 H new ATOM 0 HG21 THR A 79 36.141 -14.030 -3.398 1.00 41.31 H new ATOM 0 HG22 THR A 79 37.456 -15.020 -4.075 1.00 41.31 H new ATOM 0 HG23 THR A 79 35.761 -15.501 -4.325 1.00 41.31 H new ATOM 1164 N SER A 80 36.362 -18.395 -4.717 1.00 63.22 N ATOM 1165 CA SER A 80 35.475 -19.052 -5.671 1.00 1.23 C ATOM 1166 C SER A 80 34.215 -18.224 -5.898 1.00 60.04 C ATOM 1167 O SER A 80 33.129 -18.767 -6.100 1.00 75.03 O ATOM 1168 CB SER A 80 35.099 -20.447 -5.172 1.00 32.21 C ATOM 1169 OG SER A 80 36.115 -20.984 -4.341 1.00 54.44 O ATOM 0 H SER A 80 37.323 -18.286 -5.041 1.00 63.22 H new ATOM 0 HA SER A 80 36.005 -19.144 -6.619 1.00 1.23 H new ATOM 0 HB2 SER A 80 34.161 -20.398 -4.619 1.00 32.21 H new ATOM 0 HB3 SER A 80 34.933 -21.108 -6.023 1.00 32.21 H new ATOM 0 HG SER A 80 35.849 -21.876 -4.034 1.00 54.44 H new ATOM 1175 N THR A 81 34.367 -16.902 -5.866 1.00 32.33 N ATOM 1176 CA THR A 81 33.243 -15.998 -6.068 1.00 34.12 C ATOM 1177 C THR A 81 33.691 -14.704 -6.737 1.00 21.05 C ATOM 1178 O THR A 81 34.762 -14.176 -6.436 1.00 40.20 O ATOM 1179 CB THR A 81 32.547 -15.660 -4.735 1.00 24.54 C ATOM 1180 OG1 THR A 81 33.514 -15.596 -3.681 1.00 5.41 O ATOM 1181 CG2 THR A 81 31.490 -16.700 -4.397 1.00 23.22 C ATOM 0 H THR A 81 35.259 -16.435 -5.702 1.00 32.33 H new ATOM 0 HA THR A 81 32.536 -16.513 -6.718 1.00 34.12 H new ATOM 0 HB THR A 81 32.059 -14.691 -4.841 1.00 24.54 H new ATOM 0 HG1 THR A 81 33.823 -16.501 -3.465 1.00 5.41 H new ATOM 0 HG21 THR A 81 31.013 -16.440 -3.452 1.00 23.22 H new ATOM 0 HG22 THR A 81 30.740 -16.726 -5.187 1.00 23.22 H new ATOM 0 HG23 THR A 81 31.959 -17.680 -4.309 1.00 23.22 H new ATOM 1189 N LYS A 82 32.865 -14.196 -7.646 1.00 21.01 N ATOM 1190 CA LYS A 82 33.175 -12.962 -8.356 1.00 55.01 C ATOM 1191 C LYS A 82 32.278 -11.821 -7.885 1.00 70.20 C ATOM 1192 O LYS A 82 31.180 -12.053 -7.379 1.00 15.25 O ATOM 1193 CB LYS A 82 33.010 -13.163 -9.864 1.00 60.43 C ATOM 1194 CG LYS A 82 31.622 -13.629 -10.268 1.00 22.43 C ATOM 1195 CD LYS A 82 31.291 -13.228 -11.696 1.00 63.33 C ATOM 1196 CE LYS A 82 30.366 -14.237 -12.359 1.00 22.23 C ATOM 1197 NZ LYS A 82 30.737 -14.478 -13.781 1.00 60.31 N ATOM 0 H LYS A 82 31.975 -14.621 -7.908 1.00 21.01 H new ATOM 0 HA LYS A 82 34.211 -12.699 -8.140 1.00 55.01 H new ATOM 0 HB2 LYS A 82 33.232 -12.225 -10.373 1.00 60.43 H new ATOM 0 HB3 LYS A 82 33.743 -13.893 -10.207 1.00 60.43 H new ATOM 0 HG2 LYS A 82 31.558 -14.713 -10.170 1.00 22.43 H new ATOM 0 HG3 LYS A 82 30.883 -13.204 -9.589 1.00 22.43 H new ATOM 0 HD2 LYS A 82 30.820 -12.245 -11.699 1.00 63.33 H new ATOM 0 HD3 LYS A 82 32.211 -13.143 -12.274 1.00 63.33 H new ATOM 0 HE2 LYS A 82 30.401 -15.178 -11.810 1.00 22.23 H new ATOM 0 HE3 LYS A 82 29.339 -13.876 -12.308 1.00 22.23 H new ATOM 0 HZ1 LYS A 82 30.173 -15.266 -14.158 1.00 60.31 H new ATOM 0 HZ2 LYS A 82 30.550 -13.620 -14.339 1.00 60.31 H new ATOM 0 HZ3 LYS A 82 31.748 -14.716 -13.841 1.00 60.31 H new ATOM 1211 N SER A 83 32.753 -10.592 -8.054 1.00 21.31 N ATOM 1212 CA SER A 83 31.995 -9.416 -7.642 1.00 72.14 C ATOM 1213 C SER A 83 31.735 -8.495 -8.830 1.00 44.44 C ATOM 1214 O SER A 83 32.520 -8.449 -9.779 1.00 30.51 O ATOM 1215 CB SER A 83 32.746 -8.657 -6.547 1.00 3.30 C ATOM 1216 OG SER A 83 32.301 -9.046 -5.260 1.00 72.44 O ATOM 0 H SER A 83 33.659 -10.384 -8.473 1.00 21.31 H new ATOM 0 HA SER A 83 31.036 -9.751 -7.248 1.00 72.14 H new ATOM 0 HB2 SER A 83 33.816 -8.846 -6.638 1.00 3.30 H new ATOM 0 HB3 SER A 83 32.599 -7.585 -6.677 1.00 3.30 H new ATOM 0 HG SER A 83 32.798 -8.548 -4.578 1.00 72.44 H new ATOM 1222 N ARG A 84 30.629 -7.760 -8.771 1.00 31.44 N ATOM 1223 CA ARG A 84 30.265 -6.839 -9.841 1.00 64.44 C ATOM 1224 C ARG A 84 29.383 -5.713 -9.312 1.00 30.23 C ATOM 1225 O ARG A 84 28.599 -5.906 -8.382 1.00 25.43 O ATOM 1226 CB ARG A 84 29.537 -7.588 -10.960 1.00 22.11 C ATOM 1227 CG ARG A 84 28.584 -6.713 -11.757 1.00 72.52 C ATOM 1228 CD ARG A 84 28.197 -7.367 -13.074 1.00 2.12 C ATOM 1229 NE ARG A 84 26.903 -8.037 -12.996 1.00 22.44 N ATOM 1230 CZ ARG A 84 26.411 -8.803 -13.963 1.00 35.30 C ATOM 1231 NH1 ARG A 84 27.103 -8.996 -15.077 1.00 42.43 N ATOM 1232 NH2 ARG A 84 25.224 -9.379 -13.816 1.00 61.41 N ATOM 0 H ARG A 84 29.969 -7.785 -7.993 1.00 31.44 H new ATOM 0 HA ARG A 84 31.181 -6.403 -10.239 1.00 64.44 H new ATOM 0 HB2 ARG A 84 30.274 -8.018 -11.637 1.00 22.11 H new ATOM 0 HB3 ARG A 84 28.979 -8.418 -10.527 1.00 22.11 H new ATOM 0 HG2 ARG A 84 27.687 -6.520 -11.168 1.00 72.52 H new ATOM 0 HG3 ARG A 84 29.051 -5.748 -11.952 1.00 72.52 H new ATOM 0 HD2 ARG A 84 28.166 -6.611 -13.858 1.00 2.12 H new ATOM 0 HD3 ARG A 84 28.962 -8.090 -13.358 1.00 2.12 H new ATOM 0 HE ARG A 84 26.345 -7.910 -12.152 1.00 22.44 H new ATOM 0 HH11 ARG A 84 28.016 -8.556 -15.193 1.00 42.43 H new ATOM 0 HH12 ARG A 84 26.723 -9.585 -15.818 1.00 42.43 H new ATOM 0 HH21 ARG A 84 24.689 -9.233 -12.960 1.00 61.41 H new ATOM 0 HH22 ARG A 84 24.847 -9.967 -14.559 1.00 61.41 H new ATOM 1246 N THR A 85 29.516 -4.533 -9.910 1.00 3.42 N ATOM 1247 CA THR A 85 28.735 -3.373 -9.497 1.00 71.55 C ATOM 1248 C THR A 85 27.786 -2.930 -10.605 1.00 53.31 C ATOM 1249 O THR A 85 28.211 -2.645 -11.724 1.00 50.30 O ATOM 1250 CB THR A 85 29.642 -2.191 -9.112 1.00 24.25 C ATOM 1251 OG1 THR A 85 30.901 -2.299 -9.788 1.00 35.03 O ATOM 1252 CG2 THR A 85 29.871 -2.152 -7.608 1.00 61.33 C ATOM 0 H THR A 85 30.158 -4.355 -10.683 1.00 3.42 H new ATOM 0 HA THR A 85 28.157 -3.675 -8.624 1.00 71.55 H new ATOM 0 HB THR A 85 29.146 -1.268 -9.413 1.00 24.25 H new ATOM 0 HG1 THR A 85 31.472 -1.542 -9.539 1.00 35.03 H new ATOM 0 HG21 THR A 85 30.515 -1.308 -7.360 1.00 61.33 H new ATOM 0 HG22 THR A 85 28.915 -2.041 -7.097 1.00 61.33 H new ATOM 0 HG23 THR A 85 30.348 -3.079 -7.288 1.00 61.33 H new ATOM 1260 N GLY A 86 26.496 -2.873 -10.285 1.00 71.44 N ATOM 1261 CA GLY A 86 25.506 -2.462 -11.264 1.00 64.40 C ATOM 1262 C GLY A 86 25.071 -1.023 -11.080 1.00 21.14 C ATOM 1263 O GLY A 86 24.785 -0.590 -9.962 1.00 5.00 O ATOM 0 H GLY A 86 26.119 -3.104 -9.366 1.00 71.44 H new ATOM 0 HA2 GLY A 86 25.916 -2.589 -12.266 1.00 64.40 H new ATOM 0 HA3 GLY A 86 24.635 -3.114 -11.191 1.00 64.40 H new ATOM 1267 N THR A 87 25.021 -0.275 -12.178 1.00 41.44 N ATOM 1268 CA THR A 87 24.621 1.125 -12.132 1.00 54.40 C ATOM 1269 C THR A 87 23.127 1.279 -12.395 1.00 51.51 C ATOM 1270 O THR A 87 22.615 0.816 -13.414 1.00 43.34 O ATOM 1271 CB THR A 87 25.400 1.967 -13.160 1.00 64.20 C ATOM 1272 OG1 THR A 87 26.769 1.546 -13.199 1.00 42.25 O ATOM 1273 CG2 THR A 87 25.329 3.446 -12.815 1.00 43.52 C ATOM 0 H THR A 87 25.253 -0.617 -13.111 1.00 41.44 H new ATOM 0 HA THR A 87 24.851 1.486 -11.129 1.00 54.40 H new ATOM 0 HB THR A 87 24.945 1.818 -14.139 1.00 64.20 H new ATOM 0 HG1 THR A 87 27.258 2.084 -13.856 1.00 42.25 H new ATOM 0 HG21 THR A 87 25.887 4.020 -13.555 1.00 43.52 H new ATOM 0 HG22 THR A 87 24.288 3.770 -12.814 1.00 43.52 H new ATOM 0 HG23 THR A 87 25.761 3.611 -11.828 1.00 43.52 H new ATOM 1281 N LEU A 88 22.433 1.932 -11.470 1.00 21.10 N ATOM 1282 CA LEU A 88 20.996 2.148 -11.602 1.00 35.22 C ATOM 1283 C LEU A 88 20.681 2.963 -12.852 1.00 15.02 C ATOM 1284 O LEU A 88 21.342 3.963 -13.136 1.00 60.11 O ATOM 1285 CB LEU A 88 20.451 2.861 -10.362 1.00 74.44 C ATOM 1286 CG LEU A 88 18.933 3.035 -10.301 1.00 64.11 C ATOM 1287 CD1 LEU A 88 18.235 1.700 -10.504 1.00 74.33 C ATOM 1288 CD2 LEU A 88 18.521 3.660 -8.977 1.00 51.13 C ATOM 0 H LEU A 88 22.842 2.321 -10.620 1.00 21.10 H new ATOM 0 HA LEU A 88 20.514 1.175 -11.694 1.00 35.22 H new ATOM 0 HB2 LEU A 88 20.769 2.306 -9.479 1.00 74.44 H new ATOM 0 HB3 LEU A 88 20.912 3.847 -10.302 1.00 74.44 H new ATOM 0 HG LEU A 88 18.630 3.705 -11.105 1.00 64.11 H new ATOM 0 HD11 LEU A 88 17.155 1.843 -10.457 1.00 74.33 H new ATOM 0 HD12 LEU A 88 18.505 1.292 -11.478 1.00 74.33 H new ATOM 0 HD13 LEU A 88 18.543 1.006 -9.722 1.00 74.33 H new ATOM 0 HD21 LEU A 88 17.438 3.776 -8.951 1.00 51.13 H new ATOM 0 HD22 LEU A 88 18.836 3.015 -8.157 1.00 51.13 H new ATOM 0 HD23 LEU A 88 18.993 4.637 -8.873 1.00 51.13 H new ATOM 1300 N GLN A 89 19.665 2.532 -13.594 1.00 22.21 N ATOM 1301 CA GLN A 89 19.262 3.224 -14.812 1.00 34.31 C ATOM 1302 C GLN A 89 18.149 4.226 -14.526 1.00 14.23 C ATOM 1303 O GLN A 89 18.383 5.434 -14.481 1.00 1.24 O ATOM 1304 CB GLN A 89 18.798 2.217 -15.865 1.00 73.20 C ATOM 1305 CG GLN A 89 19.917 1.339 -16.402 1.00 51.21 C ATOM 1306 CD GLN A 89 19.506 0.555 -17.632 1.00 71.34 C ATOM 1307 OE1 GLN A 89 19.030 -0.577 -17.531 1.00 2.34 O ATOM 1308 NE2 GLN A 89 19.684 1.152 -18.805 1.00 11.25 N ATOM 0 H GLN A 89 19.107 1.708 -13.373 1.00 22.21 H new ATOM 0 HA GLN A 89 20.126 3.768 -15.194 1.00 34.31 H new ATOM 0 HB2 GLN A 89 18.025 1.582 -15.433 1.00 73.20 H new ATOM 0 HB3 GLN A 89 18.341 2.756 -16.695 1.00 73.20 H new ATOM 0 HG2 GLN A 89 20.778 1.962 -16.644 1.00 51.21 H new ATOM 0 HG3 GLN A 89 20.235 0.645 -15.623 1.00 51.21 H new ATOM 0 HE21 GLN A 89 20.082 2.091 -18.844 1.00 11.25 H new ATOM 0 HE22 GLN A 89 19.423 0.672 -19.666 1.00 11.25 H new ATOM 1317 N LYS A 90 16.937 3.718 -14.333 1.00 33.44 N ATOM 1318 CA LYS A 90 15.787 4.569 -14.050 1.00 35.32 C ATOM 1319 C LYS A 90 14.828 3.881 -13.082 1.00 44.21 C ATOM 1320 O LYS A 90 14.844 2.659 -12.938 1.00 41.44 O ATOM 1321 CB LYS A 90 15.054 4.920 -15.346 1.00 21.23 C ATOM 1322 CG LYS A 90 14.430 3.718 -16.037 1.00 13.13 C ATOM 1323 CD LYS A 90 15.448 2.969 -16.881 1.00 13.33 C ATOM 1324 CE LYS A 90 14.966 2.798 -18.313 1.00 35.02 C ATOM 1325 NZ LYS A 90 14.926 4.095 -19.044 1.00 25.22 N ATOM 0 H LYS A 90 16.725 2.721 -14.367 1.00 33.44 H new ATOM 0 HA LYS A 90 16.150 5.486 -13.586 1.00 35.32 H new ATOM 0 HB2 LYS A 90 14.273 5.648 -15.126 1.00 21.23 H new ATOM 0 HB3 LYS A 90 15.753 5.400 -16.031 1.00 21.23 H new ATOM 0 HG2 LYS A 90 14.010 3.045 -15.289 1.00 13.13 H new ATOM 0 HG3 LYS A 90 13.605 4.048 -16.668 1.00 13.13 H new ATOM 0 HD2 LYS A 90 16.394 3.510 -16.877 1.00 13.33 H new ATOM 0 HD3 LYS A 90 15.638 1.990 -16.440 1.00 13.33 H new ATOM 0 HE2 LYS A 90 15.625 2.106 -18.838 1.00 35.02 H new ATOM 0 HE3 LYS A 90 13.972 2.352 -18.311 1.00 35.02 H new ATOM 0 HZ1 LYS A 90 14.707 3.922 -20.046 1.00 25.22 H new ATOM 0 HZ2 LYS A 90 14.192 4.704 -18.630 1.00 25.22 H new ATOM 0 HZ3 LYS A 90 15.850 4.565 -18.967 1.00 25.22 H new ATOM 1339 N ALA A 91 13.992 4.676 -12.420 1.00 43.13 N ATOM 1340 CA ALA A 91 13.024 4.143 -11.469 1.00 35.13 C ATOM 1341 C ALA A 91 11.648 3.998 -12.110 1.00 74.53 C ATOM 1342 O ALA A 91 11.028 4.985 -12.508 1.00 44.31 O ATOM 1343 CB ALA A 91 12.943 5.039 -10.242 1.00 41.20 C ATOM 0 H ALA A 91 13.966 5.690 -12.525 1.00 43.13 H new ATOM 0 HA ALA A 91 13.360 3.153 -11.162 1.00 35.13 H new ATOM 0 HB1 ALA A 91 12.217 4.630 -9.540 1.00 41.20 H new ATOM 0 HB2 ALA A 91 13.921 5.090 -9.764 1.00 41.20 H new ATOM 0 HB3 ALA A 91 12.633 6.040 -10.542 1.00 41.20 H new ATOM 1349 N LEU A 92 11.175 2.759 -12.208 1.00 52.40 N ATOM 1350 CA LEU A 92 9.872 2.483 -12.802 1.00 32.04 C ATOM 1351 C LEU A 92 8.807 2.316 -11.723 1.00 52.01 C ATOM 1352 O LEU A 92 8.061 1.336 -11.719 1.00 24.13 O ATOM 1353 CB LEU A 92 9.940 1.224 -13.667 1.00 72.52 C ATOM 1354 CG LEU A 92 10.646 0.019 -13.043 1.00 14.41 C ATOM 1355 CD1 LEU A 92 9.985 -1.277 -13.489 1.00 41.21 C ATOM 1356 CD2 LEU A 92 12.123 0.019 -13.409 1.00 34.44 C ATOM 0 H LEU A 92 11.675 1.931 -11.884 1.00 52.40 H new ATOM 0 HA LEU A 92 9.598 3.332 -13.429 1.00 32.04 H new ATOM 0 HB2 LEU A 92 8.923 0.930 -13.926 1.00 72.52 H new ATOM 0 HB3 LEU A 92 10.447 1.474 -14.599 1.00 72.52 H new ATOM 0 HG LEU A 92 10.560 0.093 -11.959 1.00 14.41 H new ATOM 0 HD11 LEU A 92 10.501 -2.123 -13.035 1.00 41.21 H new ATOM 0 HD12 LEU A 92 8.941 -1.279 -13.177 1.00 41.21 H new ATOM 0 HD13 LEU A 92 10.040 -1.358 -14.575 1.00 41.21 H new ATOM 0 HD21 LEU A 92 12.610 -0.845 -12.957 1.00 34.44 H new ATOM 0 HD22 LEU A 92 12.229 -0.030 -14.493 1.00 34.44 H new ATOM 0 HD23 LEU A 92 12.589 0.933 -13.040 1.00 34.44 H new ATOM 1368 N PHE A 93 8.739 3.281 -10.812 1.00 51.23 N ATOM 1369 CA PHE A 93 7.763 3.241 -9.729 1.00 4.02 C ATOM 1370 C PHE A 93 7.824 1.907 -8.991 1.00 34.34 C ATOM 1371 O PHE A 93 6.816 1.425 -8.475 1.00 13.03 O ATOM 1372 CB PHE A 93 6.352 3.472 -10.274 1.00 63.23 C ATOM 1373 CG PHE A 93 6.173 4.816 -10.921 1.00 21.30 C ATOM 1374 CD1 PHE A 93 6.602 5.969 -10.284 1.00 64.24 C ATOM 1375 CD2 PHE A 93 5.574 4.926 -12.166 1.00 25.41 C ATOM 1376 CE1 PHE A 93 6.436 7.205 -10.877 1.00 4.43 C ATOM 1377 CE2 PHE A 93 5.407 6.160 -12.763 1.00 62.24 C ATOM 1378 CZ PHE A 93 5.839 7.302 -12.118 1.00 11.12 C ATOM 0 H PHE A 93 9.347 4.100 -10.802 1.00 51.23 H new ATOM 0 HA PHE A 93 8.007 4.037 -9.025 1.00 4.02 H new ATOM 0 HB2 PHE A 93 6.120 2.694 -11.001 1.00 63.23 H new ATOM 0 HB3 PHE A 93 5.635 3.371 -9.459 1.00 63.23 H new ATOM 0 HD1 PHE A 93 7.071 5.900 -9.314 1.00 64.24 H new ATOM 0 HD2 PHE A 93 5.234 4.036 -12.675 1.00 25.41 H new ATOM 0 HE1 PHE A 93 6.774 8.097 -10.369 1.00 4.43 H new ATOM 0 HE2 PHE A 93 4.939 6.232 -13.734 1.00 62.24 H new ATOM 0 HZ PHE A 93 5.710 8.268 -12.583 1.00 11.12 H new ATOM 1388 N ASN A 94 9.013 1.316 -8.945 1.00 63.23 N ATOM 1389 CA ASN A 94 9.205 0.036 -8.273 1.00 32.25 C ATOM 1390 C ASN A 94 10.015 0.212 -6.991 1.00 71.34 C ATOM 1391 O ASN A 94 11.105 -0.341 -6.850 1.00 64.54 O ATOM 1392 CB ASN A 94 9.911 -0.952 -9.203 1.00 62.31 C ATOM 1393 CG ASN A 94 8.940 -1.704 -10.092 1.00 72.01 C ATOM 1394 OD1 ASN A 94 8.410 -1.153 -11.056 1.00 12.42 O ATOM 1395 ND2 ASN A 94 8.701 -2.970 -9.769 1.00 14.15 N ATOM 0 H ASN A 94 9.858 1.703 -9.365 1.00 63.23 H new ATOM 0 HA ASN A 94 8.224 -0.360 -8.012 1.00 32.25 H new ATOM 0 HB2 ASN A 94 10.626 -0.414 -9.825 1.00 62.31 H new ATOM 0 HB3 ASN A 94 10.480 -1.665 -8.607 1.00 62.31 H new ATOM 0 HD21 ASN A 94 8.055 -3.526 -10.329 1.00 14.15 H new ATOM 0 HD22 ASN A 94 9.163 -3.386 -8.961 1.00 14.15 H new ATOM 1402 N VAL A 95 9.472 0.986 -6.057 1.00 4.34 N ATOM 1403 CA VAL A 95 10.143 1.235 -4.785 1.00 4.31 C ATOM 1404 C VAL A 95 11.442 2.006 -4.990 1.00 61.54 C ATOM 1405 O VAL A 95 12.056 1.936 -6.055 1.00 15.01 O ATOM 1406 CB VAL A 95 10.452 -0.081 -4.047 1.00 52.24 C ATOM 1407 CG1 VAL A 95 11.952 -0.318 -3.980 1.00 44.43 C ATOM 1408 CG2 VAL A 95 9.844 -0.064 -2.653 1.00 33.34 C ATOM 0 H VAL A 95 8.570 1.452 -6.156 1.00 4.34 H new ATOM 0 HA VAL A 95 9.461 1.832 -4.179 1.00 4.31 H new ATOM 0 HB VAL A 95 10.004 -0.903 -4.605 1.00 52.24 H new ATOM 0 HG11 VAL A 95 12.150 -1.253 -3.455 1.00 44.43 H new ATOM 0 HG12 VAL A 95 12.357 -0.377 -4.990 1.00 44.43 H new ATOM 0 HG13 VAL A 95 12.427 0.505 -3.447 1.00 44.43 H new ATOM 0 HG21 VAL A 95 10.072 -1.001 -2.145 1.00 33.34 H new ATOM 0 HG22 VAL A 95 10.261 0.767 -2.084 1.00 33.34 H new ATOM 0 HG23 VAL A 95 8.763 0.054 -2.729 1.00 33.34 H new ATOM 1418 N GLU A 96 11.855 2.742 -3.963 1.00 42.31 N ATOM 1419 CA GLU A 96 13.082 3.528 -4.032 1.00 33.21 C ATOM 1420 C GLU A 96 14.309 2.621 -4.017 1.00 64.14 C ATOM 1421 O GLU A 96 14.544 1.889 -3.054 1.00 42.33 O ATOM 1422 CB GLU A 96 13.149 4.512 -2.863 1.00 55.21 C ATOM 1423 CG GLU A 96 12.936 3.864 -1.506 1.00 64.30 C ATOM 1424 CD GLU A 96 11.630 4.279 -0.859 1.00 70.11 C ATOM 1425 OE1 GLU A 96 10.567 3.799 -1.307 1.00 32.44 O ATOM 1426 OE2 GLU A 96 11.670 5.083 0.095 1.00 52.14 O ATOM 0 H GLU A 96 11.359 2.811 -3.074 1.00 42.31 H new ATOM 0 HA GLU A 96 13.074 4.086 -4.968 1.00 33.21 H new ATOM 0 HB2 GLU A 96 14.120 5.006 -2.871 1.00 55.21 H new ATOM 0 HB3 GLU A 96 12.396 5.287 -3.008 1.00 55.21 H new ATOM 0 HG2 GLU A 96 12.953 2.780 -1.619 1.00 64.30 H new ATOM 0 HG3 GLU A 96 13.763 4.129 -0.848 1.00 64.30 H new ATOM 1433 N CYS A 97 15.090 2.673 -5.092 1.00 11.13 N ATOM 1434 CA CYS A 97 16.293 1.858 -5.205 1.00 72.54 C ATOM 1435 C CYS A 97 17.543 2.691 -4.942 1.00 14.13 C ATOM 1436 O CYS A 97 17.567 3.892 -5.210 1.00 44.35 O ATOM 1437 CB CYS A 97 16.375 1.222 -6.595 1.00 33.21 C ATOM 1438 SG CYS A 97 14.837 0.404 -7.129 1.00 33.21 S ATOM 0 H CYS A 97 14.910 3.272 -5.898 1.00 11.13 H new ATOM 0 HA CYS A 97 16.238 1.070 -4.454 1.00 72.54 H new ATOM 0 HB2 CYS A 97 16.635 1.992 -7.321 1.00 33.21 H new ATOM 0 HB3 CYS A 97 17.184 0.491 -6.602 1.00 33.21 H new ATOM 1444 N GLN A 98 18.577 2.046 -4.412 1.00 50.31 N ATOM 1445 CA GLN A 98 19.830 2.729 -4.111 1.00 71.31 C ATOM 1446 C GLN A 98 20.501 3.221 -5.389 1.00 1.12 C ATOM 1447 O GLN A 98 20.295 2.662 -6.465 1.00 60.22 O ATOM 1448 CB GLN A 98 20.774 1.796 -3.352 1.00 74.54 C ATOM 1449 CG GLN A 98 20.323 1.498 -1.931 1.00 34.41 C ATOM 1450 CD GLN A 98 19.540 0.204 -1.827 1.00 51.25 C ATOM 1451 OE1 GLN A 98 18.461 0.068 -2.404 1.00 42.22 O ATOM 1452 NE2 GLN A 98 20.082 -0.758 -1.087 1.00 41.34 N ATOM 0 H GLN A 98 18.572 1.052 -4.182 1.00 50.31 H new ATOM 0 HA GLN A 98 19.604 3.592 -3.485 1.00 71.31 H new ATOM 0 HB2 GLN A 98 20.863 0.858 -3.900 1.00 74.54 H new ATOM 0 HB3 GLN A 98 21.768 2.243 -3.323 1.00 74.54 H new ATOM 0 HG2 GLN A 98 21.196 1.443 -1.281 1.00 34.41 H new ATOM 0 HG3 GLN A 98 19.707 2.321 -1.569 1.00 34.41 H new ATOM 0 HE21 GLN A 98 20.979 -0.603 -0.626 1.00 41.34 H new ATOM 0 HE22 GLN A 98 19.601 -1.651 -0.980 1.00 41.34 H new ATOM 1461 N GLN A 99 21.307 4.271 -5.262 1.00 54.50 N ATOM 1462 CA GLN A 99 22.007 4.840 -6.407 1.00 22.24 C ATOM 1463 C GLN A 99 22.768 3.760 -7.170 1.00 13.31 C ATOM 1464 O GLN A 99 22.821 3.774 -8.400 1.00 23.14 O ATOM 1465 CB GLN A 99 22.973 5.935 -5.949 1.00 72.31 C ATOM 1466 CG GLN A 99 23.704 6.618 -7.093 1.00 72.13 C ATOM 1467 CD GLN A 99 23.166 8.004 -7.386 1.00 12.53 C ATOM 1468 OE1 GLN A 99 22.686 8.277 -8.486 1.00 53.41 O ATOM 1469 NE2 GLN A 99 23.244 8.890 -6.399 1.00 35.34 N ATOM 0 H GLN A 99 21.491 4.744 -4.377 1.00 54.50 H new ATOM 0 HA GLN A 99 21.265 5.277 -7.075 1.00 22.24 H new ATOM 0 HB2 GLN A 99 22.418 6.684 -5.384 1.00 72.31 H new ATOM 0 HB3 GLN A 99 23.705 5.501 -5.269 1.00 72.31 H new ATOM 0 HG2 GLN A 99 24.764 6.688 -6.851 1.00 72.13 H new ATOM 0 HG3 GLN A 99 23.622 6.004 -7.990 1.00 72.13 H new ATOM 0 HE21 GLN A 99 23.650 8.621 -5.503 1.00 35.34 H new ATOM 0 HE22 GLN A 99 22.898 9.840 -6.538 1.00 35.34 H new ATOM 1478 N THR A 100 23.358 2.825 -6.431 1.00 52.43 N ATOM 1479 CA THR A 100 24.118 1.739 -7.037 1.00 45.33 C ATOM 1480 C THR A 100 24.026 0.469 -6.199 1.00 54.11 C ATOM 1481 O THR A 100 23.782 0.526 -4.993 1.00 40.23 O ATOM 1482 CB THR A 100 25.600 2.120 -7.212 1.00 23.11 C ATOM 1483 OG1 THR A 100 25.726 3.538 -7.367 1.00 23.33 O ATOM 1484 CG2 THR A 100 26.200 1.418 -8.420 1.00 70.53 C ATOM 0 H THR A 100 23.324 2.798 -5.412 1.00 52.43 H new ATOM 0 HA THR A 100 23.680 1.555 -8.018 1.00 45.33 H new ATOM 0 HB THR A 100 26.142 1.802 -6.321 1.00 23.11 H new ATOM 0 HG1 THR A 100 26.671 3.772 -7.476 1.00 23.33 H new ATOM 0 HG21 THR A 100 27.247 1.703 -8.523 1.00 70.53 H new ATOM 0 HG22 THR A 100 26.129 0.339 -8.286 1.00 70.53 H new ATOM 0 HG23 THR A 100 25.655 1.709 -9.318 1.00 70.53 H new ATOM 1492 N VAL A 101 24.226 -0.676 -6.844 1.00 15.23 N ATOM 1493 CA VAL A 101 24.167 -1.961 -6.156 1.00 12.35 C ATOM 1494 C VAL A 101 25.277 -2.889 -6.632 1.00 73.22 C ATOM 1495 O VAL A 101 25.921 -2.634 -7.650 1.00 13.41 O ATOM 1496 CB VAL A 101 22.807 -2.651 -6.371 1.00 71.10 C ATOM 1497 CG1 VAL A 101 21.667 -1.703 -6.032 1.00 70.02 C ATOM 1498 CG2 VAL A 101 22.686 -3.154 -7.802 1.00 40.14 C ATOM 0 H VAL A 101 24.430 -0.740 -7.841 1.00 15.23 H new ATOM 0 HA VAL A 101 24.298 -1.758 -5.093 1.00 12.35 H new ATOM 0 HB VAL A 101 22.744 -3.509 -5.702 1.00 71.10 H new ATOM 0 HG11 VAL A 101 20.714 -2.208 -6.190 1.00 70.02 H new ATOM 0 HG12 VAL A 101 21.747 -1.397 -4.989 1.00 70.02 H new ATOM 0 HG13 VAL A 101 21.722 -0.824 -6.674 1.00 70.02 H new ATOM 0 HG21 VAL A 101 21.719 -3.639 -7.937 1.00 40.14 H new ATOM 0 HG22 VAL A 101 22.770 -2.314 -8.491 1.00 40.14 H new ATOM 0 HG23 VAL A 101 23.482 -3.870 -8.004 1.00 40.14 H new ATOM 1508 N SER A 102 25.497 -3.970 -5.889 1.00 70.14 N ATOM 1509 CA SER A 102 26.533 -4.936 -6.234 1.00 72.15 C ATOM 1510 C SER A 102 25.953 -6.345 -6.323 1.00 64.15 C ATOM 1511 O SER A 102 24.895 -6.630 -5.763 1.00 61.25 O ATOM 1512 CB SER A 102 27.658 -4.901 -5.199 1.00 20.03 C ATOM 1513 OG SER A 102 28.811 -5.572 -5.676 1.00 23.15 O ATOM 0 H SER A 102 24.972 -4.198 -5.045 1.00 70.14 H new ATOM 0 HA SER A 102 26.938 -4.665 -7.209 1.00 72.15 H new ATOM 0 HB2 SER A 102 27.907 -3.866 -4.963 1.00 20.03 H new ATOM 0 HB3 SER A 102 27.319 -5.366 -4.273 1.00 20.03 H new ATOM 0 HG SER A 102 28.754 -5.668 -6.650 1.00 23.15 H new ATOM 1519 N VAL A 103 26.655 -7.223 -7.032 1.00 51.22 N ATOM 1520 CA VAL A 103 26.213 -8.603 -7.196 1.00 12.02 C ATOM 1521 C VAL A 103 27.377 -9.575 -7.047 1.00 22.11 C ATOM 1522 O VAL A 103 28.542 -9.186 -7.139 1.00 40.51 O ATOM 1523 CB VAL A 103 25.549 -8.821 -8.569 1.00 43.33 C ATOM 1524 CG1 VAL A 103 24.586 -7.687 -8.883 1.00 15.31 C ATOM 1525 CG2 VAL A 103 26.607 -8.949 -9.657 1.00 21.24 C ATOM 0 H VAL A 103 27.533 -7.003 -7.502 1.00 51.22 H new ATOM 0 HA VAL A 103 25.481 -8.795 -6.412 1.00 12.02 H new ATOM 0 HB VAL A 103 24.980 -9.750 -8.535 1.00 43.33 H new ATOM 0 HG11 VAL A 103 24.127 -7.859 -9.857 1.00 15.31 H new ATOM 0 HG12 VAL A 103 23.810 -7.646 -8.118 1.00 15.31 H new ATOM 0 HG13 VAL A 103 25.129 -6.742 -8.900 1.00 15.31 H new ATOM 0 HG21 VAL A 103 26.121 -9.103 -10.621 1.00 21.24 H new ATOM 0 HG22 VAL A 103 27.204 -8.038 -9.693 1.00 21.24 H new ATOM 0 HG23 VAL A 103 27.254 -9.798 -9.437 1.00 21.24 H new ATOM 1535 N THR A 104 27.056 -10.844 -6.813 1.00 52.43 N ATOM 1536 CA THR A 104 28.075 -11.873 -6.650 1.00 35.21 C ATOM 1537 C THR A 104 27.673 -13.162 -7.357 1.00 25.22 C ATOM 1538 O THR A 104 26.487 -13.464 -7.493 1.00 64.14 O ATOM 1539 CB THR A 104 28.332 -12.177 -5.162 1.00 43.53 C ATOM 1540 OG1 THR A 104 28.131 -10.995 -4.379 1.00 50.34 O ATOM 1541 CG2 THR A 104 29.746 -12.695 -4.953 1.00 22.33 C ATOM 0 H THR A 104 26.098 -11.183 -6.732 1.00 52.43 H new ATOM 0 HA THR A 104 28.990 -11.486 -7.099 1.00 35.21 H new ATOM 0 HB THR A 104 27.629 -12.947 -4.844 1.00 43.53 H new ATOM 0 HG1 THR A 104 28.295 -11.197 -3.434 1.00 50.34 H new ATOM 0 HG21 THR A 104 29.905 -12.903 -3.895 1.00 22.33 H new ATOM 0 HG22 THR A 104 29.887 -13.610 -5.528 1.00 22.33 H new ATOM 0 HG23 THR A 104 30.462 -11.944 -5.286 1.00 22.33 H new ATOM 1549 N LYS A 105 28.667 -13.919 -7.808 1.00 3.13 N ATOM 1550 CA LYS A 105 28.419 -15.177 -8.500 1.00 61.24 C ATOM 1551 C LYS A 105 29.522 -16.189 -8.204 1.00 24.02 C ATOM 1552 O LYS A 105 30.681 -15.833 -7.985 1.00 41.43 O ATOM 1553 CB LYS A 105 28.320 -14.942 -10.009 1.00 31.22 C ATOM 1554 CG LYS A 105 26.919 -15.135 -10.564 1.00 2.14 C ATOM 1555 CD LYS A 105 26.949 -15.510 -12.035 1.00 61.24 C ATOM 1556 CE LYS A 105 27.410 -16.947 -12.236 1.00 11.34 C ATOM 1557 NZ LYS A 105 26.449 -17.923 -11.653 1.00 12.11 N ATOM 0 H LYS A 105 29.654 -13.682 -7.706 1.00 3.13 H new ATOM 0 HA LYS A 105 27.473 -15.581 -8.138 1.00 61.24 H new ATOM 0 HB2 LYS A 105 28.654 -13.929 -10.233 1.00 31.22 H new ATOM 0 HB3 LYS A 105 29.001 -15.623 -10.520 1.00 31.22 H new ATOM 0 HG2 LYS A 105 26.407 -15.914 -9.999 1.00 2.14 H new ATOM 0 HG3 LYS A 105 26.345 -14.218 -10.433 1.00 2.14 H new ATOM 0 HD2 LYS A 105 25.955 -15.382 -12.464 1.00 61.24 H new ATOM 0 HD3 LYS A 105 27.617 -14.835 -12.570 1.00 61.24 H new ATOM 0 HE2 LYS A 105 27.528 -17.145 -13.301 1.00 11.34 H new ATOM 0 HE3 LYS A 105 28.389 -17.082 -11.776 1.00 11.34 H new ATOM 0 HZ1 LYS A 105 26.951 -18.557 -10.999 1.00 12.11 H new ATOM 0 HZ2 LYS A 105 25.705 -17.412 -11.136 1.00 12.11 H new ATOM 0 HZ3 LYS A 105 26.018 -18.484 -12.416 1.00 12.11 H new ATOM 1571 N PRO A 106 29.158 -17.479 -8.199 1.00 70.41 N ATOM 1572 CA PRO A 106 30.103 -18.568 -7.933 1.00 63.01 C ATOM 1573 C PRO A 106 31.105 -18.755 -9.067 1.00 44.34 C ATOM 1574 O PRO A 106 31.009 -19.706 -9.844 1.00 44.22 O ATOM 1575 CB PRO A 106 29.200 -19.798 -7.809 1.00 62.11 C ATOM 1576 CG PRO A 106 27.986 -19.460 -8.602 1.00 13.32 C ATOM 1577 CD PRO A 106 27.794 -17.976 -8.451 1.00 2.44 C ATOM 0 HA PRO A 106 30.709 -18.376 -7.047 1.00 63.01 H new ATOM 0 HB2 PRO A 106 29.691 -20.690 -8.198 1.00 62.11 H new ATOM 0 HB3 PRO A 106 28.949 -20.001 -6.768 1.00 62.11 H new ATOM 0 HG2 PRO A 106 28.116 -19.732 -9.649 1.00 13.32 H new ATOM 0 HG3 PRO A 106 27.116 -20.005 -8.236 1.00 13.32 H new ATOM 0 HD2 PRO A 106 27.365 -17.533 -9.350 1.00 2.44 H new ATOM 0 HD3 PRO A 106 27.121 -17.740 -7.626 1.00 2.44 H new ATOM 1585 N CYS A 107 32.067 -17.841 -9.158 1.00 75.25 N ATOM 1586 CA CYS A 107 33.087 -17.905 -10.197 1.00 21.33 C ATOM 1587 C CYS A 107 34.482 -18.002 -9.585 1.00 75.54 C ATOM 1588 O CYS A 107 34.751 -17.428 -8.529 1.00 74.13 O ATOM 1589 CB CYS A 107 33.000 -16.675 -11.102 1.00 62.01 C ATOM 1590 SG CYS A 107 34.162 -16.702 -12.505 1.00 14.50 S ATOM 0 H CYS A 107 32.160 -17.047 -8.524 1.00 75.25 H new ATOM 0 HA CYS A 107 32.908 -18.800 -10.793 1.00 21.33 H new ATOM 0 HB2 CYS A 107 31.984 -16.591 -11.487 1.00 62.01 H new ATOM 0 HB3 CYS A 107 33.189 -15.783 -10.504 1.00 62.01 H new ATOM 1596 N THR A 108 35.365 -18.735 -10.255 1.00 2.10 N ATOM 1597 CA THR A 108 36.732 -18.909 -9.777 1.00 71.14 C ATOM 1598 C THR A 108 37.736 -18.749 -10.913 1.00 0.31 C ATOM 1599 O THR A 108 37.505 -19.212 -12.030 1.00 54.33 O ATOM 1600 CB THR A 108 36.927 -20.291 -9.126 1.00 41.11 C ATOM 1601 OG1 THR A 108 38.320 -20.535 -8.903 1.00 22.44 O ATOM 1602 CG2 THR A 108 36.349 -21.391 -10.004 1.00 4.23 C ATOM 0 H THR A 108 35.159 -19.218 -11.130 1.00 2.10 H new ATOM 0 HA THR A 108 36.907 -18.135 -9.030 1.00 71.14 H new ATOM 0 HB THR A 108 36.400 -20.295 -8.172 1.00 41.11 H new ATOM 0 HG1 THR A 108 38.436 -21.415 -8.487 1.00 22.44 H new ATOM 0 HG21 THR A 108 36.499 -22.357 -9.523 1.00 4.23 H new ATOM 0 HG22 THR A 108 35.282 -21.219 -10.148 1.00 4.23 H new ATOM 0 HG23 THR A 108 36.851 -21.386 -10.972 1.00 4.23 H new ATOM 1610 N THR A 109 38.853 -18.091 -10.621 1.00 42.33 N ATOM 1611 CA THR A 109 39.893 -17.871 -11.618 1.00 12.51 C ATOM 1612 C THR A 109 41.223 -17.522 -10.959 1.00 14.22 C ATOM 1613 O THR A 109 41.307 -16.583 -10.166 1.00 52.14 O ATOM 1614 CB THR A 109 39.506 -16.742 -12.594 1.00 71.43 C ATOM 1615 OG1 THR A 109 38.301 -17.087 -13.286 1.00 40.04 O ATOM 1616 CG2 THR A 109 40.619 -16.489 -13.599 1.00 53.10 C ATOM 0 H THR A 109 39.061 -17.701 -9.702 1.00 42.33 H new ATOM 0 HA THR A 109 39.999 -18.803 -12.174 1.00 12.51 H new ATOM 0 HB THR A 109 39.347 -15.831 -12.017 1.00 71.43 H new ATOM 0 HG1 THR A 109 38.120 -18.043 -13.171 1.00 40.04 H new ATOM 0 HG21 THR A 109 40.322 -15.688 -14.277 1.00 53.10 H new ATOM 0 HG22 THR A 109 41.527 -16.199 -13.071 1.00 53.10 H new ATOM 0 HG23 THR A 109 40.806 -17.398 -14.171 1.00 53.10 H new