USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0.95 (180deg=0.809) USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 27 HIS : no HE2:sc= -0.802 K(o=-0.8,f=-2.6!) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.0176 USER MOD Single : A 34 SER OG : rot -140:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -172:sc= -2.23 (180deg=-2.49) USER MOD Single : A 38 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.13) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 41 CYS SG : rot 147:sc= 0.987 USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 1.23 (180deg=-0.656!) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0502) USER MOD Single : A 47 SER OG : rot 68:sc= 0.472 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0381 (180deg=-0.184) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 80:sc= 0.931 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 157:sc= 0.135 USER MOD Single : A 67 ASN : amide:sc=-0.00066 K(o=-0.00066,f=-1.5) USER MOD Single : A 69 TYR OH : rot 14:sc= 0.639 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0.557 (180deg=0.375) USER MOD Single : A 73 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.767 6.367 -0.956 1.00 41.24 N ATOM 220 CA ILE A 15 10.567 6.143 -1.772 1.00 54.25 C ATOM 221 C ILE A 15 9.323 6.839 -1.180 1.00 1.11 C ATOM 222 O ILE A 15 9.092 6.805 0.030 1.00 4.34 O ATOM 223 CB ILE A 15 10.289 4.623 -1.919 1.00 2.30 C ATOM 224 CG1 ILE A 15 11.492 3.926 -2.579 1.00 24.34 C ATOM 225 CG2 ILE A 15 9.010 4.375 -2.721 1.00 42.33 C ATOM 226 CD1 ILE A 15 11.327 2.427 -2.730 1.00 45.23 C ATOM 0 HA ILE A 15 10.762 6.579 -2.752 1.00 54.25 H new ATOM 0 HB ILE A 15 10.144 4.201 -0.924 1.00 2.30 H new ATOM 0 HG12 ILE A 15 11.658 4.364 -3.563 1.00 24.34 H new ATOM 0 HG13 ILE A 15 12.385 4.125 -1.986 1.00 24.34 H new ATOM 0 HG21 ILE A 15 8.838 3.302 -2.809 1.00 42.33 H new ATOM 0 HG22 ILE A 15 8.165 4.837 -2.210 1.00 42.33 H new ATOM 0 HG23 ILE A 15 9.114 4.809 -3.715 1.00 42.33 H new ATOM 0 HD11 ILE A 15 12.216 2.009 -3.203 1.00 45.23 H new ATOM 0 HD12 ILE A 15 11.192 1.975 -1.747 1.00 45.23 H new ATOM 0 HD13 ILE A 15 10.454 2.217 -3.349 1.00 45.23 H new ATOM 238 N THR A 16 8.529 7.474 -2.044 1.00 74.05 N ATOM 239 CA THR A 16 7.282 8.138 -1.626 1.00 20.32 C ATOM 240 C THR A 16 6.103 7.153 -1.579 1.00 63.34 C ATOM 241 O THR A 16 6.170 6.063 -2.146 1.00 41.43 O ATOM 242 CB THR A 16 6.906 9.287 -2.590 1.00 31.04 C ATOM 243 OG1 THR A 16 6.691 8.765 -3.911 1.00 64.44 O ATOM 244 CG2 THR A 16 7.998 10.353 -2.632 1.00 54.31 C ATOM 0 H THR A 16 8.724 7.545 -3.043 1.00 74.05 H new ATOM 0 HA THR A 16 7.469 8.535 -0.628 1.00 20.32 H new ATOM 0 HB THR A 16 5.990 9.749 -2.223 1.00 31.04 H new ATOM 0 HG1 THR A 16 6.451 9.497 -4.517 1.00 64.44 H new ATOM 0 HG21 THR A 16 7.705 11.147 -3.318 1.00 54.31 H new ATOM 0 HG22 THR A 16 8.139 10.769 -1.634 1.00 54.31 H new ATOM 0 HG23 THR A 16 8.931 9.905 -2.973 1.00 54.31 H new ATOM 252 N LEU A 17 5.016 7.555 -0.916 1.00 64.14 N ATOM 253 CA LEU A 17 3.817 6.707 -0.788 1.00 40.41 C ATOM 254 C LEU A 17 3.279 6.242 -2.156 1.00 34.22 C ATOM 255 O LEU A 17 2.965 5.065 -2.339 1.00 43.24 O ATOM 256 CB LEU A 17 2.713 7.455 -0.028 1.00 4.12 C ATOM 257 CG LEU A 17 1.384 6.692 0.126 1.00 60.15 C ATOM 258 CD1 LEU A 17 1.578 5.431 0.967 1.00 31.01 C ATOM 259 CD2 LEU A 17 0.307 7.596 0.727 1.00 30.22 C ATOM 0 H LEU A 17 4.937 8.463 -0.457 1.00 64.14 H new ATOM 0 HA LEU A 17 4.114 5.819 -0.229 1.00 40.41 H new ATOM 0 HB2 LEU A 17 3.085 7.706 0.965 1.00 4.12 H new ATOM 0 HB3 LEU A 17 2.515 8.396 -0.542 1.00 4.12 H new ATOM 0 HG LEU A 17 1.049 6.385 -0.865 1.00 60.15 H new ATOM 0 HD11 LEU A 17 0.627 4.908 1.063 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.304 4.778 0.482 1.00 31.01 H new ATOM 0 HD13 LEU A 17 1.942 5.706 1.957 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -0.623 7.037 0.827 1.00 30.22 H new ATOM 0 HD22 LEU A 17 0.629 7.943 1.709 1.00 30.22 H new ATOM 0 HD23 LEU A 17 0.146 8.454 0.074 1.00 30.22 H new ATOM 271 N GLN A 18 3.168 7.173 -3.104 1.00 43.44 N ATOM 272 CA GLN A 18 2.673 6.865 -4.455 1.00 62.14 C ATOM 273 C GLN A 18 3.448 5.696 -5.086 1.00 11.35 C ATOM 274 O GLN A 18 2.858 4.697 -5.510 1.00 41.22 O ATOM 275 CB GLN A 18 2.761 8.128 -5.336 1.00 11.23 C ATOM 276 CG GLN A 18 2.153 7.989 -6.738 1.00 63.00 C ATOM 277 CD GLN A 18 3.076 7.315 -7.743 1.00 44.43 C ATOM 278 OE1 GLN A 18 4.298 7.423 -7.658 1.00 0.12 O ATOM 279 NE2 GLN A 18 2.503 6.615 -8.700 1.00 33.10 N ATOM 0 H GLN A 18 3.414 8.153 -2.964 1.00 43.44 H new ATOM 0 HA GLN A 18 1.631 6.554 -4.381 1.00 62.14 H new ATOM 0 HB2 GLN A 18 2.261 8.947 -4.820 1.00 11.23 H new ATOM 0 HB3 GLN A 18 3.809 8.408 -5.438 1.00 11.23 H new ATOM 0 HG2 GLN A 18 1.228 7.417 -6.668 1.00 63.00 H new ATOM 0 HG3 GLN A 18 1.888 8.979 -7.109 1.00 63.00 H new ATOM 0 HE21 GLN A 18 1.486 6.545 -8.742 1.00 33.10 H new ATOM 0 HE22 GLN A 18 3.076 6.142 -9.399 1.00 33.10 H new ATOM 288 N LYS A 19 4.768 5.821 -5.134 1.00 73.11 N ATOM 289 CA LYS A 19 5.632 4.774 -5.688 1.00 65.44 C ATOM 290 C LYS A 19 5.552 3.486 -4.845 1.00 32.32 C ATOM 291 O LYS A 19 5.478 2.379 -5.384 1.00 55.24 O ATOM 292 CB LYS A 19 7.078 5.288 -5.746 1.00 24.43 C ATOM 293 CG LYS A 19 8.060 4.353 -6.447 1.00 42.12 C ATOM 294 CD LYS A 19 7.701 4.139 -7.918 1.00 32.44 C ATOM 295 CE LYS A 19 8.820 3.430 -8.677 1.00 51.20 C ATOM 296 NZ LYS A 19 9.117 2.085 -8.118 1.00 32.31 N ATOM 0 H LYS A 19 5.271 6.641 -4.795 1.00 73.11 H new ATOM 0 HA LYS A 19 5.291 4.532 -6.695 1.00 65.44 H new ATOM 0 HB2 LYS A 19 7.087 6.251 -6.257 1.00 24.43 H new ATOM 0 HB3 LYS A 19 7.428 5.464 -4.729 1.00 24.43 H new ATOM 0 HG2 LYS A 19 9.066 4.766 -6.376 1.00 42.12 H new ATOM 0 HG3 LYS A 19 8.073 3.391 -5.934 1.00 42.12 H new ATOM 0 HD2 LYS A 19 6.786 3.551 -7.987 1.00 32.44 H new ATOM 0 HD3 LYS A 19 7.497 5.102 -8.386 1.00 32.44 H new ATOM 0 HE2 LYS A 19 8.539 3.331 -9.725 1.00 51.20 H new ATOM 0 HE3 LYS A 19 9.722 4.041 -8.645 1.00 51.20 H new ATOM 0 HZ1 LYS A 19 9.978 1.707 -8.563 1.00 32.31 H new ATOM 0 HZ2 LYS A 19 9.262 2.160 -7.091 1.00 32.31 H new ATOM 0 HZ3 LYS A 19 8.319 1.446 -8.309 1.00 32.31 H new ATOM 310 N LEU A 20 5.541 3.656 -3.524 1.00 61.43 N ATOM 311 CA LEU A 20 5.500 2.537 -2.570 1.00 22.40 C ATOM 312 C LEU A 20 4.272 1.635 -2.802 1.00 51.10 C ATOM 313 O LEU A 20 4.410 0.430 -3.037 1.00 60.44 O ATOM 314 CB LEU A 20 5.514 3.107 -1.134 1.00 71.50 C ATOM 315 CG LEU A 20 5.663 2.091 0.022 1.00 45.13 C ATOM 316 CD1 LEU A 20 6.202 2.785 1.273 1.00 12.33 C ATOM 317 CD2 LEU A 20 4.330 1.413 0.339 1.00 1.35 C ATOM 0 H LEU A 20 5.560 4.574 -3.079 1.00 61.43 H new ATOM 0 HA LEU A 20 6.378 1.908 -2.721 1.00 22.40 H new ATOM 0 HB2 LEU A 20 6.331 3.825 -1.062 1.00 71.50 H new ATOM 0 HB3 LEU A 20 4.588 3.662 -0.980 1.00 71.50 H new ATOM 0 HG LEU A 20 6.370 1.325 -0.297 1.00 45.13 H new ATOM 0 HD11 LEU A 20 6.302 2.057 2.078 1.00 12.33 H new ATOM 0 HD12 LEU A 20 7.177 3.221 1.056 1.00 12.33 H new ATOM 0 HD13 LEU A 20 5.512 3.572 1.578 1.00 12.33 H new ATOM 0 HD21 LEU A 20 4.467 0.704 1.156 1.00 1.35 H new ATOM 0 HD22 LEU A 20 3.599 2.167 0.632 1.00 1.35 H new ATOM 0 HD23 LEU A 20 3.972 0.884 -0.544 1.00 1.35 H new ATOM 329 N LEU A 21 3.073 2.222 -2.741 1.00 44.33 N ATOM 330 CA LEU A 21 1.830 1.464 -2.930 1.00 61.25 C ATOM 331 C LEU A 21 1.796 0.779 -4.304 1.00 13.54 C ATOM 332 O LEU A 21 1.405 -0.386 -4.420 1.00 3.52 O ATOM 333 CB LEU A 21 0.606 2.383 -2.779 1.00 43.00 C ATOM 334 CG LEU A 21 -0.759 1.689 -2.952 1.00 61.13 C ATOM 335 CD1 LEU A 21 -0.962 0.611 -1.890 1.00 54.13 C ATOM 336 CD2 LEU A 21 -1.894 2.711 -2.915 1.00 43.03 C ATOM 0 H LEU A 21 2.936 3.217 -2.563 1.00 44.33 H new ATOM 0 HA LEU A 21 1.797 0.694 -2.160 1.00 61.25 H new ATOM 0 HB2 LEU A 21 0.638 2.846 -1.793 1.00 43.00 H new ATOM 0 HB3 LEU A 21 0.683 3.187 -3.511 1.00 43.00 H new ATOM 0 HG LEU A 21 -0.771 1.204 -3.928 1.00 61.13 H new ATOM 0 HD11 LEU A 21 -1.933 0.136 -2.034 1.00 54.13 H new ATOM 0 HD12 LEU A 21 -0.175 -0.138 -1.977 1.00 54.13 H new ATOM 0 HD13 LEU A 21 -0.923 1.064 -0.899 1.00 54.13 H new ATOM 0 HD21 LEU A 21 -2.848 2.199 -3.039 1.00 43.03 H new ATOM 0 HD22 LEU A 21 -1.883 3.232 -1.958 1.00 43.03 H new ATOM 0 HD23 LEU A 21 -1.761 3.432 -3.722 1.00 43.03 H new ATOM 348 N THR A 22 2.210 1.507 -5.340 1.00 51.11 N ATOM 349 CA THR A 22 2.268 0.952 -6.699 1.00 2.34 C ATOM 350 C THR A 22 3.086 -0.349 -6.733 1.00 33.32 C ATOM 351 O THR A 22 2.642 -1.361 -7.284 1.00 72.21 O ATOM 352 CB THR A 22 2.876 1.961 -7.710 1.00 72.14 C ATOM 353 OG1 THR A 22 2.098 3.167 -7.728 1.00 55.41 O ATOM 354 CG2 THR A 22 2.929 1.375 -9.120 1.00 1.13 C ATOM 0 H THR A 22 2.510 2.479 -5.269 1.00 51.11 H new ATOM 0 HA THR A 22 1.239 0.741 -6.992 1.00 2.34 H new ATOM 0 HB THR A 22 3.894 2.180 -7.388 1.00 72.14 H new ATOM 0 HG1 THR A 22 2.353 3.732 -6.969 1.00 55.41 H new ATOM 0 HG21 THR A 22 3.360 2.108 -9.802 1.00 1.13 H new ATOM 0 HG22 THR A 22 3.545 0.475 -9.117 1.00 1.13 H new ATOM 0 HG23 THR A 22 1.920 1.123 -9.448 1.00 1.13 H new ATOM 362 N GLU A 23 4.269 -0.323 -6.114 1.00 51.12 N ATOM 363 CA GLU A 23 5.140 -1.502 -6.051 1.00 4.24 C ATOM 364 C GLU A 23 4.481 -2.666 -5.295 1.00 22.03 C ATOM 365 O GLU A 23 4.698 -3.834 -5.624 1.00 15.51 O ATOM 366 CB GLU A 23 6.484 -1.145 -5.400 1.00 45.34 C ATOM 367 CG GLU A 23 7.345 -0.212 -6.244 1.00 65.22 C ATOM 368 CD GLU A 23 8.698 0.077 -5.616 1.00 44.32 C ATOM 369 OE1 GLU A 23 9.388 -0.883 -5.219 1.00 62.04 O ATOM 370 OE2 GLU A 23 9.083 1.263 -5.527 1.00 53.20 O ATOM 0 H GLU A 23 4.647 0.502 -5.648 1.00 51.12 H new ATOM 0 HA GLU A 23 5.313 -1.829 -7.076 1.00 4.24 H new ATOM 0 HB2 GLU A 23 6.297 -0.677 -4.434 1.00 45.34 H new ATOM 0 HB3 GLU A 23 7.040 -2.063 -5.207 1.00 45.34 H new ATOM 0 HG2 GLU A 23 7.495 -0.656 -7.228 1.00 65.22 H new ATOM 0 HG3 GLU A 23 6.813 0.727 -6.395 1.00 65.22 H new ATOM 377 N LEU A 24 3.684 -2.354 -4.282 1.00 64.22 N ATOM 378 CA LEU A 24 2.947 -3.386 -3.547 1.00 34.42 C ATOM 379 C LEU A 24 1.896 -4.057 -4.443 1.00 41.53 C ATOM 380 O LEU A 24 1.692 -5.270 -4.381 1.00 51.50 O ATOM 381 CB LEU A 24 2.284 -2.789 -2.302 1.00 74.35 C ATOM 382 CG LEU A 24 3.260 -2.289 -1.223 1.00 4.45 C ATOM 383 CD1 LEU A 24 2.503 -1.719 -0.029 1.00 65.12 C ATOM 384 CD2 LEU A 24 4.198 -3.412 -0.784 1.00 1.10 C ATOM 0 H LEU A 24 3.528 -1.403 -3.948 1.00 64.22 H new ATOM 0 HA LEU A 24 3.660 -4.148 -3.231 1.00 34.42 H new ATOM 0 HB2 LEU A 24 1.649 -1.958 -2.610 1.00 74.35 H new ATOM 0 HB3 LEU A 24 1.631 -3.542 -1.860 1.00 74.35 H new ATOM 0 HG LEU A 24 3.863 -1.489 -1.653 1.00 4.45 H new ATOM 0 HD11 LEU A 24 3.214 -1.372 0.721 1.00 65.12 H new ATOM 0 HD12 LEU A 24 1.884 -0.884 -0.356 1.00 65.12 H new ATOM 0 HD13 LEU A 24 1.869 -2.493 0.403 1.00 65.12 H new ATOM 0 HD21 LEU A 24 4.880 -3.038 -0.021 1.00 1.10 H new ATOM 0 HD22 LEU A 24 3.613 -4.236 -0.376 1.00 1.10 H new ATOM 0 HD23 LEU A 24 4.771 -3.764 -1.642 1.00 1.10 H new ATOM 396 N VAL A 25 1.242 -3.264 -5.286 1.00 13.11 N ATOM 397 CA VAL A 25 0.279 -3.798 -6.257 1.00 31.12 C ATOM 398 C VAL A 25 0.994 -4.628 -7.342 1.00 70.14 C ATOM 399 O VAL A 25 0.441 -5.598 -7.867 1.00 72.20 O ATOM 400 CB VAL A 25 -0.544 -2.659 -6.918 1.00 72.25 C ATOM 401 CG1 VAL A 25 -1.558 -3.218 -7.920 1.00 32.41 C ATOM 402 CG2 VAL A 25 -1.249 -1.819 -5.852 1.00 15.14 C ATOM 0 H VAL A 25 1.357 -2.251 -5.320 1.00 13.11 H new ATOM 0 HA VAL A 25 -0.407 -4.448 -5.713 1.00 31.12 H new ATOM 0 HB VAL A 25 0.148 -2.018 -7.464 1.00 72.25 H new ATOM 0 HG11 VAL A 25 -2.119 -2.397 -8.366 1.00 32.41 H new ATOM 0 HG12 VAL A 25 -1.032 -3.766 -8.702 1.00 32.41 H new ATOM 0 HG13 VAL A 25 -2.245 -3.890 -7.406 1.00 32.41 H new ATOM 0 HG21 VAL A 25 -1.821 -1.026 -6.333 1.00 15.14 H new ATOM 0 HG22 VAL A 25 -1.922 -2.453 -5.276 1.00 15.14 H new ATOM 0 HG23 VAL A 25 -0.507 -1.379 -5.186 1.00 15.14 H new ATOM 412 N GLU A 26 2.231 -4.242 -7.661 1.00 61.31 N ATOM 413 CA GLU A 26 3.050 -4.964 -8.647 1.00 44.31 C ATOM 414 C GLU A 26 3.578 -6.302 -8.102 1.00 11.14 C ATOM 415 O GLU A 26 3.604 -7.307 -8.814 1.00 73.54 O ATOM 416 CB GLU A 26 4.250 -4.109 -9.078 1.00 60.41 C ATOM 417 CG GLU A 26 3.887 -2.840 -9.838 1.00 3.35 C ATOM 418 CD GLU A 26 5.120 -2.046 -10.247 1.00 43.23 C ATOM 419 OE1 GLU A 26 5.875 -2.526 -11.122 1.00 42.12 O ATOM 420 OE2 GLU A 26 5.347 -0.950 -9.695 1.00 71.14 O ATOM 0 H GLU A 26 2.693 -3.430 -7.251 1.00 61.31 H new ATOM 0 HA GLU A 26 2.400 -5.167 -9.498 1.00 44.31 H new ATOM 0 HB2 GLU A 26 4.820 -3.834 -8.191 1.00 60.41 H new ATOM 0 HB3 GLU A 26 4.905 -4.716 -9.703 1.00 60.41 H new ATOM 0 HG2 GLU A 26 3.313 -3.102 -10.727 1.00 3.35 H new ATOM 0 HG3 GLU A 26 3.244 -2.217 -9.216 1.00 3.35 H new ATOM 427 N HIS A 27 4.022 -6.305 -6.847 1.00 44.35 N ATOM 428 CA HIS A 27 4.720 -7.469 -6.276 1.00 31.10 C ATOM 429 C HIS A 27 3.804 -8.348 -5.400 1.00 71.31 C ATOM 430 O HIS A 27 4.124 -9.507 -5.134 1.00 12.44 O ATOM 431 CB HIS A 27 5.939 -6.995 -5.473 1.00 61.15 C ATOM 432 CG HIS A 27 6.861 -6.120 -6.274 1.00 64.12 C ATOM 433 ND1 HIS A 27 7.098 -4.799 -5.968 1.00 5.34 N ATOM 434 CD2 HIS A 27 7.589 -6.374 -7.391 1.00 71.52 C ATOM 435 CE1 HIS A 27 7.923 -4.280 -6.853 1.00 24.40 C ATOM 436 NE2 HIS A 27 8.237 -5.212 -7.729 1.00 24.24 N ATOM 0 H HIS A 27 3.915 -5.521 -6.203 1.00 44.35 H new ATOM 0 HA HIS A 27 5.044 -8.095 -7.108 1.00 31.10 H new ATOM 0 HB2 HIS A 27 5.599 -6.447 -4.594 1.00 61.15 H new ATOM 0 HB3 HIS A 27 6.491 -7.863 -5.113 1.00 61.15 H new ATOM 0 HD1 HIS A 27 6.695 -4.298 -5.176 1.00 5.34 H new ATOM 0 HD2 HIS A 27 7.648 -7.316 -7.916 1.00 71.52 H new ATOM 0 HE1 HIS A 27 8.282 -3.261 -6.860 1.00 24.40 H new ATOM 445 N TYR A 28 2.677 -7.798 -4.950 1.00 33.32 N ATOM 446 CA TYR A 28 1.703 -8.563 -4.148 1.00 65.01 C ATOM 447 C TYR A 28 0.325 -8.593 -4.820 1.00 41.34 C ATOM 448 O TYR A 28 -0.137 -9.641 -5.278 1.00 73.00 O ATOM 449 CB TYR A 28 1.564 -7.970 -2.737 1.00 73.41 C ATOM 450 CG TYR A 28 2.762 -8.211 -1.838 1.00 24.15 C ATOM 451 CD1 TYR A 28 2.940 -9.437 -1.205 1.00 53.31 C ATOM 452 CD2 TYR A 28 3.708 -7.216 -1.617 1.00 14.25 C ATOM 453 CE1 TYR A 28 4.026 -9.665 -0.382 1.00 61.41 C ATOM 454 CE2 TYR A 28 4.796 -7.438 -0.794 1.00 53.44 C ATOM 455 CZ TYR A 28 4.949 -8.663 -0.178 1.00 64.12 C ATOM 456 OH TYR A 28 6.035 -8.890 0.640 1.00 55.13 O ATOM 0 H TYR A 28 2.410 -6.829 -5.123 1.00 33.32 H new ATOM 0 HA TYR A 28 2.082 -9.582 -4.075 1.00 65.01 H new ATOM 0 HB2 TYR A 28 1.398 -6.896 -2.822 1.00 73.41 H new ATOM 0 HB3 TYR A 28 0.678 -8.393 -2.263 1.00 73.41 H new ATOM 0 HD1 TYR A 28 2.217 -10.224 -1.360 1.00 53.31 H new ATOM 0 HD2 TYR A 28 3.591 -6.255 -2.096 1.00 14.25 H new ATOM 0 HE1 TYR A 28 4.151 -10.624 0.099 1.00 61.41 H new ATOM 0 HE2 TYR A 28 5.523 -6.656 -0.634 1.00 53.44 H new ATOM 0 HH TYR A 28 6.277 -9.839 0.606 1.00 55.13 H new ATOM 466 N GLY A 29 -0.332 -7.438 -4.868 1.00 50.21 N ATOM 467 CA GLY A 29 -1.677 -7.354 -5.429 1.00 61.51 C ATOM 468 C GLY A 29 -2.698 -6.807 -4.436 1.00 42.12 C ATOM 469 O GLY A 29 -2.411 -6.678 -3.243 1.00 53.30 O ATOM 0 H GLY A 29 0.042 -6.552 -4.528 1.00 50.21 H new ATOM 0 HA2 GLY A 29 -1.658 -6.716 -6.313 1.00 61.51 H new ATOM 0 HA3 GLY A 29 -1.991 -8.345 -5.758 1.00 61.51 H new ATOM 473 N TRP A 30 -3.898 -6.508 -4.923 1.00 22.13 N ATOM 474 CA TRP A 30 -4.947 -5.898 -4.097 1.00 40.23 C ATOM 475 C TRP A 30 -5.435 -6.849 -2.988 1.00 12.14 C ATOM 476 O TRP A 30 -5.777 -6.407 -1.890 1.00 72.23 O ATOM 477 CB TRP A 30 -6.131 -5.472 -4.978 1.00 33.03 C ATOM 478 CG TRP A 30 -5.754 -4.511 -6.071 1.00 1.20 C ATOM 479 CD1 TRP A 30 -5.594 -4.798 -7.397 1.00 44.42 C ATOM 480 CD2 TRP A 30 -5.484 -3.111 -5.929 1.00 62.03 C ATOM 481 NE1 TRP A 30 -5.248 -3.661 -8.087 1.00 14.25 N ATOM 482 CE2 TRP A 30 -5.173 -2.613 -7.208 1.00 25.02 C ATOM 483 CE3 TRP A 30 -5.476 -2.230 -4.845 1.00 35.21 C ATOM 484 CZ2 TRP A 30 -4.862 -1.275 -7.430 1.00 0.54 C ATOM 485 CZ3 TRP A 30 -5.167 -0.902 -5.067 1.00 73.23 C ATOM 486 CH2 TRP A 30 -4.864 -0.436 -6.351 1.00 10.22 C ATOM 0 H TRP A 30 -4.174 -6.677 -5.890 1.00 22.13 H new ATOM 0 HA TRP A 30 -4.514 -5.022 -3.614 1.00 40.23 H new ATOM 0 HB2 TRP A 30 -6.578 -6.360 -5.425 1.00 33.03 H new ATOM 0 HB3 TRP A 30 -6.894 -5.013 -4.349 1.00 33.03 H new ATOM 0 HD1 TRP A 30 -5.721 -5.775 -7.838 1.00 44.42 H new ATOM 0 HE1 TRP A 30 -5.075 -3.606 -9.091 1.00 14.25 H new ATOM 0 HE3 TRP A 30 -5.707 -2.581 -3.850 1.00 35.21 H new ATOM 0 HZ2 TRP A 30 -4.627 -0.912 -8.420 1.00 0.54 H new ATOM 0 HZ3 TRP A 30 -5.159 -0.212 -4.236 1.00 73.23 H new ATOM 0 HH2 TRP A 30 -4.627 0.608 -6.492 1.00 10.22 H new ATOM 497 N GLU A 31 -5.451 -8.151 -3.278 1.00 74.12 N ATOM 498 CA GLU A 31 -5.921 -9.164 -2.318 1.00 60.31 C ATOM 499 C GLU A 31 -5.109 -9.149 -1.014 1.00 52.42 C ATOM 500 O GLU A 31 -5.670 -9.018 0.077 1.00 73.15 O ATOM 501 CB GLU A 31 -5.872 -10.566 -2.949 1.00 60.20 C ATOM 502 CG GLU A 31 -6.816 -10.739 -4.135 1.00 3.31 C ATOM 503 CD GLU A 31 -8.273 -10.500 -3.769 1.00 62.25 C ATOM 504 OE1 GLU A 31 -8.954 -11.456 -3.348 1.00 31.52 O ATOM 505 OE2 GLU A 31 -8.745 -9.354 -3.898 1.00 44.53 O ATOM 0 H GLU A 31 -5.144 -8.535 -4.172 1.00 74.12 H new ATOM 0 HA GLU A 31 -6.952 -8.913 -2.068 1.00 60.31 H new ATOM 0 HB2 GLU A 31 -4.852 -10.773 -3.275 1.00 60.20 H new ATOM 0 HB3 GLU A 31 -6.120 -11.306 -2.188 1.00 60.20 H new ATOM 0 HG2 GLU A 31 -6.527 -10.048 -4.927 1.00 3.31 H new ATOM 0 HG3 GLU A 31 -6.707 -11.747 -4.536 1.00 3.31 H new ATOM 512 N GLU A 32 -3.787 -9.281 -1.130 1.00 1.24 N ATOM 513 CA GLU A 32 -2.904 -9.277 0.044 1.00 44.33 C ATOM 514 C GLU A 32 -3.044 -7.972 0.839 1.00 13.35 C ATOM 515 O GLU A 32 -3.144 -7.985 2.067 1.00 3.13 O ATOM 516 CB GLU A 32 -1.438 -9.479 -0.375 1.00 53.01 C ATOM 517 CG GLU A 32 -1.172 -10.795 -1.103 1.00 31.42 C ATOM 518 CD GLU A 32 -1.609 -12.017 -0.304 1.00 53.45 C ATOM 519 OE1 GLU A 32 -0.983 -12.318 0.735 1.00 73.12 O ATOM 520 OE2 GLU A 32 -2.582 -12.687 -0.717 1.00 33.15 O ATOM 0 H GLU A 32 -3.302 -9.392 -2.021 1.00 1.24 H new ATOM 0 HA GLU A 32 -3.206 -10.106 0.684 1.00 44.33 H new ATOM 0 HB2 GLU A 32 -1.139 -8.653 -1.020 1.00 53.01 H new ATOM 0 HB3 GLU A 32 -0.808 -9.434 0.513 1.00 53.01 H new ATOM 0 HG2 GLU A 32 -1.695 -10.787 -2.059 1.00 31.42 H new ATOM 0 HG3 GLU A 32 -0.107 -10.873 -1.323 1.00 31.42 H new ATOM 527 N LEU A 33 -3.059 -6.846 0.126 1.00 62.45 N ATOM 528 CA LEU A 33 -3.208 -5.529 0.755 1.00 24.11 C ATOM 529 C LEU A 33 -4.547 -5.414 1.507 1.00 13.14 C ATOM 530 O LEU A 33 -4.594 -4.934 2.640 1.00 4.11 O ATOM 531 CB LEU A 33 -3.108 -4.421 -0.306 1.00 14.02 C ATOM 532 CG LEU A 33 -1.803 -4.402 -1.124 1.00 22.10 C ATOM 533 CD1 LEU A 33 -1.846 -3.305 -2.189 1.00 44.34 C ATOM 534 CD2 LEU A 33 -0.592 -4.225 -0.207 1.00 14.01 C ATOM 0 H LEU A 33 -2.970 -6.817 -0.890 1.00 62.45 H new ATOM 0 HA LEU A 33 -2.401 -5.412 1.479 1.00 24.11 H new ATOM 0 HB2 LEU A 33 -3.946 -4.525 -0.995 1.00 14.02 H new ATOM 0 HB3 LEU A 33 -3.220 -3.457 0.189 1.00 14.02 H new ATOM 0 HG LEU A 33 -1.705 -5.361 -1.632 1.00 22.10 H new ATOM 0 HD11 LEU A 33 -0.914 -3.310 -2.754 1.00 44.34 H new ATOM 0 HD12 LEU A 33 -2.682 -3.487 -2.865 1.00 44.34 H new ATOM 0 HD13 LEU A 33 -1.973 -2.335 -1.708 1.00 44.34 H new ATOM 0 HD21 LEU A 33 0.319 -4.214 -0.805 1.00 14.01 H new ATOM 0 HD22 LEU A 33 -0.681 -3.284 0.335 1.00 14.01 H new ATOM 0 HD23 LEU A 33 -0.550 -5.051 0.503 1.00 14.01 H new ATOM 546 N SER A 34 -5.626 -5.872 0.872 1.00 63.44 N ATOM 547 CA SER A 34 -6.970 -5.823 1.471 1.00 71.33 C ATOM 548 C SER A 34 -7.098 -6.768 2.675 1.00 70.52 C ATOM 549 O SER A 34 -7.871 -6.512 3.596 1.00 52.25 O ATOM 550 CB SER A 34 -8.035 -6.182 0.425 1.00 12.30 C ATOM 551 OG SER A 34 -9.341 -6.159 0.981 1.00 21.33 O ATOM 0 H SER A 34 -5.600 -6.284 -0.061 1.00 63.44 H new ATOM 0 HA SER A 34 -7.127 -4.803 1.823 1.00 71.33 H new ATOM 0 HB2 SER A 34 -7.980 -5.480 -0.407 1.00 12.30 H new ATOM 0 HB3 SER A 34 -7.829 -7.173 0.020 1.00 12.30 H new ATOM 0 HG SER A 34 -9.862 -6.909 0.625 1.00 21.33 H new ATOM 557 N TYR A 35 -6.354 -7.873 2.655 1.00 53.03 N ATOM 558 CA TYR A 35 -6.382 -8.843 3.759 1.00 1.13 C ATOM 559 C TYR A 35 -5.588 -8.341 4.978 1.00 42.54 C ATOM 560 O TYR A 35 -6.045 -8.449 6.116 1.00 74.42 O ATOM 561 CB TYR A 35 -5.831 -10.198 3.293 1.00 24.41 C ATOM 562 CG TYR A 35 -5.786 -11.249 4.391 1.00 60.51 C ATOM 563 CD1 TYR A 35 -6.959 -11.774 4.928 1.00 40.11 C ATOM 564 CD2 TYR A 35 -4.572 -11.714 4.890 1.00 30.14 C ATOM 565 CE1 TYR A 35 -6.922 -12.727 5.928 1.00 15.52 C ATOM 566 CE2 TYR A 35 -4.530 -12.668 5.888 1.00 45.54 C ATOM 567 CZ TYR A 35 -5.706 -13.170 6.405 1.00 12.54 C ATOM 568 OH TYR A 35 -5.666 -14.123 7.402 1.00 21.23 O ATOM 0 H TYR A 35 -5.725 -8.122 1.891 1.00 53.03 H new ATOM 0 HA TYR A 35 -7.421 -8.963 4.064 1.00 1.13 H new ATOM 0 HB2 TYR A 35 -6.446 -10.568 2.473 1.00 24.41 H new ATOM 0 HB3 TYR A 35 -4.825 -10.055 2.898 1.00 24.41 H new ATOM 0 HD1 TYR A 35 -7.913 -11.431 4.557 1.00 40.11 H new ATOM 0 HD2 TYR A 35 -3.648 -11.322 4.490 1.00 30.14 H new ATOM 0 HE1 TYR A 35 -7.841 -13.123 6.334 1.00 15.52 H new ATOM 0 HE2 TYR A 35 -3.580 -13.020 6.262 1.00 45.54 H new ATOM 0 HH TYR A 35 -4.733 -14.326 7.623 1.00 21.23 H new ATOM 578 N MET A 36 -4.392 -7.804 4.736 1.00 34.01 N ATOM 579 CA MET A 36 -3.544 -7.290 5.818 1.00 71.10 C ATOM 580 C MET A 36 -4.111 -5.993 6.424 1.00 13.45 C ATOM 581 O MET A 36 -4.088 -5.808 7.644 1.00 22.03 O ATOM 582 CB MET A 36 -2.109 -7.077 5.317 1.00 41.13 C ATOM 583 CG MET A 36 -1.374 -8.381 5.029 1.00 40.42 C ATOM 584 SD MET A 36 0.306 -8.127 4.420 1.00 62.11 S ATOM 585 CE MET A 36 -0.016 -7.471 2.783 1.00 32.33 C ATOM 0 H MET A 36 -3.987 -7.713 3.804 1.00 34.01 H new ATOM 0 HA MET A 36 -3.531 -8.037 6.612 1.00 71.10 H new ATOM 0 HB2 MET A 36 -2.134 -6.473 4.410 1.00 41.13 H new ATOM 0 HB3 MET A 36 -1.551 -6.510 6.062 1.00 41.13 H new ATOM 0 HG2 MET A 36 -1.338 -8.979 5.939 1.00 40.42 H new ATOM 0 HG3 MET A 36 -1.938 -8.954 4.293 1.00 40.42 H new ATOM 0 HE1 MET A 36 0.920 -7.398 2.230 1.00 32.33 H new ATOM 0 HE2 MET A 36 -0.700 -8.134 2.253 1.00 32.33 H new ATOM 0 HE3 MET A 36 -0.465 -6.481 2.869 1.00 32.33 H new ATOM 595 N VAL A 37 -4.609 -5.096 5.573 1.00 30.35 N ATOM 596 CA VAL A 37 -5.275 -3.875 6.041 1.00 52.30 C ATOM 597 C VAL A 37 -6.800 -4.075 6.062 1.00 71.24 C ATOM 598 O VAL A 37 -7.448 -4.091 5.014 1.00 41.22 O ATOM 599 CB VAL A 37 -4.925 -2.653 5.155 1.00 23.25 C ATOM 600 CG1 VAL A 37 -5.469 -1.363 5.770 1.00 0.12 C ATOM 601 CG2 VAL A 37 -3.417 -2.559 4.930 1.00 41.33 C ATOM 0 H VAL A 37 -4.565 -5.189 4.558 1.00 30.35 H new ATOM 0 HA VAL A 37 -4.916 -3.675 7.051 1.00 52.30 H new ATOM 0 HB VAL A 37 -5.401 -2.790 4.184 1.00 23.25 H new ATOM 0 HG11 VAL A 37 -5.211 -0.518 5.131 1.00 0.12 H new ATOM 0 HG12 VAL A 37 -6.553 -1.432 5.861 1.00 0.12 H new ATOM 0 HG13 VAL A 37 -5.031 -1.218 6.757 1.00 0.12 H new ATOM 0 HG21 VAL A 37 -3.196 -1.694 4.305 1.00 41.33 H new ATOM 0 HG22 VAL A 37 -2.912 -2.452 5.890 1.00 41.33 H new ATOM 0 HG23 VAL A 37 -3.066 -3.464 4.434 1.00 41.33 H new ATOM 611 N ASN A 38 -7.362 -4.221 7.261 1.00 64.21 N ATOM 612 CA ASN A 38 -8.775 -4.595 7.428 1.00 44.14 C ATOM 613 C ASN A 38 -9.740 -3.461 7.033 1.00 32.14 C ATOM 614 O ASN A 38 -10.373 -2.835 7.889 1.00 21.23 O ATOM 615 CB ASN A 38 -9.026 -5.025 8.875 1.00 75.41 C ATOM 616 CG ASN A 38 -8.048 -6.094 9.322 1.00 25.33 C ATOM 617 OD1 ASN A 38 -6.984 -5.797 9.855 1.00 73.33 O ATOM 618 ND2 ASN A 38 -8.390 -7.346 9.100 1.00 13.40 N ATOM 0 H ASN A 38 -6.861 -4.086 8.139 1.00 64.21 H new ATOM 0 HA ASN A 38 -8.974 -5.427 6.753 1.00 44.14 H new ATOM 0 HB2 ASN A 38 -8.943 -4.159 9.531 1.00 75.41 H new ATOM 0 HB3 ASN A 38 -10.045 -5.401 8.971 1.00 75.41 H new ATOM 0 HD21 ASN A 38 -7.763 -8.102 9.374 1.00 13.40 H new ATOM 0 HD22 ASN A 38 -9.282 -7.560 8.655 1.00 13.40 H new ATOM 625 N ILE A 39 -9.842 -3.204 5.728 1.00 3.12 N ATOM 626 CA ILE A 39 -10.722 -2.155 5.190 1.00 32.05 C ATOM 627 C ILE A 39 -11.276 -2.551 3.809 1.00 0.03 C ATOM 628 O ILE A 39 -10.677 -3.359 3.094 1.00 1.44 O ATOM 629 CB ILE A 39 -9.978 -0.796 5.037 1.00 45.12 C ATOM 630 CG1 ILE A 39 -8.769 -0.954 4.096 1.00 3.14 C ATOM 631 CG2 ILE A 39 -9.545 -0.242 6.396 1.00 52.34 C ATOM 632 CD1 ILE A 39 -7.995 0.325 3.863 1.00 15.21 C ATOM 0 H ILE A 39 -9.321 -3.712 5.014 1.00 3.12 H new ATOM 0 HA ILE A 39 -11.537 -2.044 5.906 1.00 32.05 H new ATOM 0 HB ILE A 39 -10.669 -0.077 4.597 1.00 45.12 H new ATOM 0 HG12 ILE A 39 -8.095 -1.703 4.511 1.00 3.14 H new ATOM 0 HG13 ILE A 39 -9.117 -1.335 3.136 1.00 3.14 H new ATOM 0 HG21 ILE A 39 -9.028 0.707 6.254 1.00 52.34 H new ATOM 0 HG22 ILE A 39 -10.423 -0.087 7.022 1.00 52.34 H new ATOM 0 HG23 ILE A 39 -8.874 -0.951 6.881 1.00 52.34 H new ATOM 0 HD11 ILE A 39 -7.161 0.128 3.190 1.00 15.21 H new ATOM 0 HD12 ILE A 39 -8.652 1.072 3.417 1.00 15.21 H new ATOM 0 HD13 ILE A 39 -7.614 0.698 4.814 1.00 15.21 H new ATOM 644 N ASN A 40 -12.413 -1.978 3.427 1.00 73.12 N ATOM 645 CA ASN A 40 -12.959 -2.188 2.083 1.00 3.45 C ATOM 646 C ASN A 40 -12.535 -1.040 1.152 1.00 25.31 C ATOM 647 O ASN A 40 -13.292 -0.098 0.909 1.00 2.14 O ATOM 648 CB ASN A 40 -14.488 -2.315 2.121 1.00 41.11 C ATOM 649 CG ASN A 40 -15.074 -2.643 0.759 1.00 51.21 C ATOM 650 OD1 ASN A 40 -14.434 -3.280 -0.071 1.00 42.21 O ATOM 651 ND2 ASN A 40 -16.295 -2.210 0.517 1.00 45.20 N ATOM 0 H ASN A 40 -12.974 -1.368 4.022 1.00 73.12 H new ATOM 0 HA ASN A 40 -12.556 -3.123 1.694 1.00 3.45 H new ATOM 0 HB2 ASN A 40 -14.768 -3.093 2.831 1.00 41.11 H new ATOM 0 HB3 ASN A 40 -14.919 -1.382 2.484 1.00 41.11 H new ATOM 0 HD21 ASN A 40 -16.735 -2.402 -0.383 1.00 45.20 H new ATOM 0 HD22 ASN A 40 -16.800 -1.683 1.230 1.00 45.20 H new ATOM 658 N CYS A 41 -11.291 -1.109 0.676 1.00 61.33 N ATOM 659 CA CYS A 41 -10.737 -0.085 -0.226 1.00 51.04 C ATOM 660 C CYS A 41 -10.009 -0.730 -1.410 1.00 24.31 C ATOM 661 O CYS A 41 -10.365 -0.506 -2.563 1.00 63.11 O ATOM 662 CB CYS A 41 -9.771 0.837 0.532 1.00 72.32 C ATOM 663 SG CYS A 41 -8.981 2.093 -0.503 1.00 24.21 S ATOM 0 H CYS A 41 -10.642 -1.864 0.898 1.00 61.33 H new ATOM 0 HA CYS A 41 -11.570 0.505 -0.608 1.00 51.04 H new ATOM 0 HB2 CYS A 41 -10.315 1.334 1.335 1.00 72.32 H new ATOM 0 HB3 CYS A 41 -8.997 0.228 1.000 1.00 72.32 H new ATOM 0 HG CYS A 41 -8.790 3.173 0.195 1.00 24.21 H new ATOM 669 N PHE A 42 -8.989 -1.537 -1.118 1.00 2.30 N ATOM 670 CA PHE A 42 -8.243 -2.257 -2.162 1.00 64.43 C ATOM 671 C PHE A 42 -9.144 -3.274 -2.886 1.00 15.14 C ATOM 672 O PHE A 42 -8.866 -3.684 -4.013 1.00 24.41 O ATOM 673 CB PHE A 42 -7.031 -2.970 -1.547 1.00 44.41 C ATOM 674 CG PHE A 42 -6.134 -2.056 -0.745 1.00 12.04 C ATOM 675 CD1 PHE A 42 -5.323 -1.124 -1.378 1.00 44.34 C ATOM 676 CD2 PHE A 42 -6.101 -2.133 0.640 1.00 54.41 C ATOM 677 CE1 PHE A 42 -4.498 -0.290 -0.646 1.00 4.40 C ATOM 678 CE2 PHE A 42 -5.279 -1.301 1.376 1.00 22.52 C ATOM 679 CZ PHE A 42 -4.477 -0.379 0.732 1.00 0.03 C ATOM 0 H PHE A 42 -8.657 -1.712 -0.169 1.00 2.30 H new ATOM 0 HA PHE A 42 -7.896 -1.529 -2.895 1.00 64.43 H new ATOM 0 HB2 PHE A 42 -7.383 -3.776 -0.903 1.00 44.41 H new ATOM 0 HB3 PHE A 42 -6.447 -3.430 -2.344 1.00 44.41 H new ATOM 0 HD1 PHE A 42 -5.337 -1.049 -2.455 1.00 44.34 H new ATOM 0 HD2 PHE A 42 -6.726 -2.852 1.149 1.00 54.41 H new ATOM 0 HE1 PHE A 42 -3.871 0.430 -1.151 1.00 4.40 H new ATOM 0 HE2 PHE A 42 -5.264 -1.372 2.454 1.00 22.52 H new ATOM 0 HZ PHE A 42 -3.834 0.272 1.306 1.00 0.03 H new ATOM 689 N LYS A 43 -10.226 -3.672 -2.219 1.00 63.02 N ATOM 690 CA LYS A 43 -11.208 -4.605 -2.788 1.00 34.21 C ATOM 691 C LYS A 43 -12.421 -3.844 -3.369 1.00 24.13 C ATOM 692 O LYS A 43 -13.433 -4.441 -3.742 1.00 75.20 O ATOM 693 CB LYS A 43 -11.662 -5.583 -1.690 1.00 34.21 C ATOM 694 CG LYS A 43 -12.408 -6.813 -2.201 1.00 13.03 C ATOM 695 CD LYS A 43 -11.527 -7.670 -3.108 1.00 14.21 C ATOM 696 CE LYS A 43 -12.235 -8.941 -3.562 1.00 73.14 C ATOM 697 NZ LYS A 43 -11.346 -9.801 -4.388 1.00 51.52 N ATOM 0 H LYS A 43 -10.450 -3.361 -1.274 1.00 63.02 H new ATOM 0 HA LYS A 43 -10.744 -5.159 -3.604 1.00 34.21 H new ATOM 0 HB2 LYS A 43 -10.786 -5.912 -1.131 1.00 34.21 H new ATOM 0 HB3 LYS A 43 -12.305 -5.049 -0.990 1.00 34.21 H new ATOM 0 HG2 LYS A 43 -12.749 -7.410 -1.355 1.00 13.03 H new ATOM 0 HG3 LYS A 43 -13.297 -6.499 -2.748 1.00 13.03 H new ATOM 0 HD2 LYS A 43 -11.233 -7.088 -3.981 1.00 14.21 H new ATOM 0 HD3 LYS A 43 -10.612 -7.935 -2.578 1.00 14.21 H new ATOM 0 HE2 LYS A 43 -12.574 -9.500 -2.690 1.00 73.14 H new ATOM 0 HE3 LYS A 43 -13.123 -8.677 -4.137 1.00 73.14 H new ATOM 0 HZ1 LYS A 43 -11.740 -9.889 -5.346 1.00 51.52 H new ATOM 0 HZ2 LYS A 43 -10.400 -9.373 -4.441 1.00 51.52 H new ATOM 0 HZ3 LYS A 43 -11.275 -10.744 -3.955 1.00 51.52 H new ATOM 711 N LYS A 44 -12.300 -2.520 -3.455 1.00 72.51 N ATOM 712 CA LYS A 44 -13.386 -1.658 -3.938 1.00 15.43 C ATOM 713 C LYS A 44 -12.884 -0.719 -5.045 1.00 23.22 C ATOM 714 O LYS A 44 -12.189 0.262 -4.770 1.00 41.14 O ATOM 715 CB LYS A 44 -13.955 -0.838 -2.772 1.00 0.21 C ATOM 716 CG LYS A 44 -15.109 0.080 -3.158 1.00 22.31 C ATOM 717 CD LYS A 44 -15.529 0.973 -1.995 1.00 53.43 C ATOM 718 CE LYS A 44 -16.651 1.928 -2.385 1.00 21.14 C ATOM 719 NZ LYS A 44 -17.909 1.212 -2.730 1.00 24.45 N ATOM 0 H LYS A 44 -11.454 -2.014 -3.195 1.00 72.51 H new ATOM 0 HA LYS A 44 -14.172 -2.289 -4.354 1.00 15.43 H new ATOM 0 HB2 LYS A 44 -14.294 -1.521 -1.993 1.00 0.21 H new ATOM 0 HB3 LYS A 44 -13.155 -0.236 -2.341 1.00 0.21 H new ATOM 0 HG2 LYS A 44 -14.814 0.699 -4.005 1.00 22.31 H new ATOM 0 HG3 LYS A 44 -15.959 -0.520 -3.482 1.00 22.31 H new ATOM 0 HD2 LYS A 44 -15.855 0.352 -1.161 1.00 53.43 H new ATOM 0 HD3 LYS A 44 -14.669 1.546 -1.649 1.00 53.43 H new ATOM 0 HE2 LYS A 44 -16.842 2.616 -1.562 1.00 21.14 H new ATOM 0 HE3 LYS A 44 -16.333 2.530 -3.236 1.00 21.14 H new ATOM 0 HZ1 LYS A 44 -18.673 1.902 -2.873 1.00 24.45 H new ATOM 0 HZ2 LYS A 44 -17.769 0.665 -3.603 1.00 24.45 H new ATOM 0 HZ3 LYS A 44 -18.165 0.567 -1.955 1.00 24.45 H new ATOM 733 N ASP A 45 -13.236 -1.034 -6.293 1.00 12.20 N ATOM 734 CA ASP A 45 -12.776 -0.267 -7.460 1.00 32.12 C ATOM 735 C ASP A 45 -11.238 -0.163 -7.486 1.00 74.33 C ATOM 736 O ASP A 45 -10.672 0.913 -7.256 1.00 71.50 O ATOM 737 CB ASP A 45 -13.413 1.133 -7.477 1.00 53.11 C ATOM 738 CG ASP A 45 -14.924 1.075 -7.618 1.00 3.44 C ATOM 739 OD1 ASP A 45 -15.619 0.863 -6.600 1.00 24.02 O ATOM 740 OD2 ASP A 45 -15.427 1.231 -8.752 1.00 54.23 O ATOM 0 H ASP A 45 -13.843 -1.820 -6.526 1.00 12.20 H new ATOM 0 HA ASP A 45 -13.093 -0.801 -8.356 1.00 32.12 H new ATOM 0 HB2 ASP A 45 -13.156 1.658 -6.557 1.00 53.11 H new ATOM 0 HB3 ASP A 45 -12.995 1.710 -8.302 1.00 53.11 H new ATOM 745 N PRO A 46 -10.541 -1.287 -7.777 1.00 41.04 N ATOM 746 CA PRO A 46 -9.067 -1.356 -7.722 1.00 13.31 C ATOM 747 C PRO A 46 -8.386 -0.259 -8.561 1.00 11.12 C ATOM 748 O PRO A 46 -8.175 -0.414 -9.767 1.00 64.20 O ATOM 749 CB PRO A 46 -8.739 -2.763 -8.270 1.00 52.11 C ATOM 750 CG PRO A 46 -9.992 -3.224 -8.942 1.00 75.34 C ATOM 751 CD PRO A 46 -11.125 -2.574 -8.195 1.00 12.54 C ATOM 0 HA PRO A 46 -8.696 -1.192 -6.710 1.00 13.31 H new ATOM 0 HB2 PRO A 46 -7.906 -2.728 -8.972 1.00 52.11 H new ATOM 0 HB3 PRO A 46 -8.451 -3.441 -7.467 1.00 52.11 H new ATOM 0 HG2 PRO A 46 -10.000 -2.935 -9.993 1.00 75.34 H new ATOM 0 HG3 PRO A 46 -10.075 -4.310 -8.910 1.00 75.34 H new ATOM 0 HD2 PRO A 46 -12.001 -2.435 -8.829 1.00 12.54 H new ATOM 0 HD3 PRO A 46 -11.442 -3.171 -7.340 1.00 12.54 H new ATOM 759 N SER A 47 -8.068 0.862 -7.913 1.00 33.21 N ATOM 760 CA SER A 47 -7.451 2.013 -8.587 1.00 74.42 C ATOM 761 C SER A 47 -6.300 2.587 -7.752 1.00 11.51 C ATOM 762 O SER A 47 -6.480 2.898 -6.574 1.00 60.13 O ATOM 763 CB SER A 47 -8.499 3.115 -8.819 1.00 54.33 C ATOM 764 OG SER A 47 -9.655 2.612 -9.474 1.00 3.43 O ATOM 0 H SER A 47 -8.228 1.001 -6.915 1.00 33.21 H new ATOM 0 HA SER A 47 -7.058 1.668 -9.543 1.00 74.42 H new ATOM 0 HB2 SER A 47 -8.784 3.553 -7.862 1.00 54.33 H new ATOM 0 HB3 SER A 47 -8.061 3.914 -9.417 1.00 54.33 H new ATOM 0 HG SER A 47 -10.136 2.007 -8.871 1.00 3.43 H new ATOM 770 N ILE A 48 -5.127 2.739 -8.366 1.00 15.11 N ATOM 771 CA ILE A 48 -3.960 3.309 -7.681 1.00 62.10 C ATOM 772 C ILE A 48 -4.262 4.723 -7.157 1.00 55.12 C ATOM 773 O ILE A 48 -4.169 4.990 -5.960 1.00 42.32 O ATOM 774 CB ILE A 48 -2.729 3.375 -8.624 1.00 73.21 C ATOM 775 CG1 ILE A 48 -2.380 1.981 -9.172 1.00 41.45 C ATOM 776 CG2 ILE A 48 -1.523 3.982 -7.905 1.00 55.44 C ATOM 777 CD1 ILE A 48 -1.927 0.994 -8.113 1.00 51.42 C ATOM 0 H ILE A 48 -4.956 2.476 -9.337 1.00 15.11 H new ATOM 0 HA ILE A 48 -3.733 2.652 -6.841 1.00 62.10 H new ATOM 0 HB ILE A 48 -2.988 4.019 -9.465 1.00 73.21 H new ATOM 0 HG12 ILE A 48 -3.253 1.574 -9.683 1.00 41.45 H new ATOM 0 HG13 ILE A 48 -1.593 2.083 -9.919 1.00 41.45 H new ATOM 0 HG21 ILE A 48 -0.673 4.017 -8.587 1.00 55.44 H new ATOM 0 HG22 ILE A 48 -1.766 4.992 -7.575 1.00 55.44 H new ATOM 0 HG23 ILE A 48 -1.269 3.369 -7.040 1.00 55.44 H new ATOM 0 HD11 ILE A 48 -1.700 0.036 -8.581 1.00 51.42 H new ATOM 0 HD12 ILE A 48 -1.034 1.376 -7.618 1.00 51.42 H new ATOM 0 HD13 ILE A 48 -2.720 0.860 -7.378 1.00 51.42 H new ATOM 789 N LYS A 49 -4.659 5.608 -8.071 1.00 32.23 N ATOM 790 CA LYS A 49 -4.925 7.018 -7.749 1.00 43.24 C ATOM 791 C LYS A 49 -5.964 7.171 -6.620 1.00 64.23 C ATOM 792 O LYS A 49 -5.805 8.001 -5.718 1.00 63.02 O ATOM 793 CB LYS A 49 -5.412 7.748 -9.008 1.00 24.35 C ATOM 794 CG LYS A 49 -4.485 7.575 -10.212 1.00 1.21 C ATOM 795 CD LYS A 49 -5.032 8.264 -11.461 1.00 62.25 C ATOM 796 CE LYS A 49 -4.151 8.007 -12.681 1.00 74.43 C ATOM 797 NZ LYS A 49 -4.113 6.567 -13.057 1.00 64.41 N ATOM 0 H LYS A 49 -4.806 5.374 -9.053 1.00 32.23 H new ATOM 0 HA LYS A 49 -3.993 7.460 -7.396 1.00 43.24 H new ATOM 0 HB2 LYS A 49 -6.405 7.382 -9.269 1.00 24.35 H new ATOM 0 HB3 LYS A 49 -5.512 8.811 -8.786 1.00 24.35 H new ATOM 0 HG2 LYS A 49 -3.503 7.983 -9.974 1.00 1.21 H new ATOM 0 HG3 LYS A 49 -4.349 6.513 -10.415 1.00 1.21 H new ATOM 0 HD2 LYS A 49 -6.042 7.907 -11.660 1.00 62.25 H new ATOM 0 HD3 LYS A 49 -5.103 9.337 -11.283 1.00 62.25 H new ATOM 0 HE2 LYS A 49 -4.522 8.591 -13.524 1.00 74.43 H new ATOM 0 HE3 LYS A 49 -3.138 8.353 -12.475 1.00 74.43 H new ATOM 0 HZ1 LYS A 49 -3.708 6.468 -14.010 1.00 64.41 H new ATOM 0 HZ2 LYS A 49 -3.526 6.046 -12.375 1.00 64.41 H new ATOM 0 HZ3 LYS A 49 -5.079 6.181 -13.049 1.00 64.41 H new ATOM 811 N SER A 50 -7.032 6.373 -6.677 1.00 63.32 N ATOM 812 CA SER A 50 -8.086 6.411 -5.648 1.00 33.34 C ATOM 813 C SER A 50 -7.557 5.941 -4.286 1.00 72.05 C ATOM 814 O SER A 50 -7.774 6.595 -3.263 1.00 21.14 O ATOM 815 CB SER A 50 -9.285 5.546 -6.064 1.00 43.01 C ATOM 816 OG SER A 50 -10.311 5.567 -5.078 1.00 12.25 O ATOM 0 H SER A 50 -7.194 5.693 -7.420 1.00 63.32 H new ATOM 0 HA SER A 50 -8.409 7.448 -5.553 1.00 33.34 H new ATOM 0 HB2 SER A 50 -9.683 5.906 -7.012 1.00 43.01 H new ATOM 0 HB3 SER A 50 -8.956 4.520 -6.226 1.00 43.01 H new ATOM 0 HG SER A 50 -11.060 5.008 -5.373 1.00 12.25 H new ATOM 822 N SER A 51 -6.853 4.807 -4.283 1.00 63.11 N ATOM 823 CA SER A 51 -6.283 4.247 -3.047 1.00 44.42 C ATOM 824 C SER A 51 -5.315 5.234 -2.383 1.00 14.13 C ATOM 825 O SER A 51 -5.330 5.406 -1.166 1.00 44.05 O ATOM 826 CB SER A 51 -5.559 2.924 -3.336 1.00 34.21 C ATOM 827 OG SER A 51 -6.440 1.969 -3.908 1.00 74.23 O ATOM 0 H SER A 51 -6.662 4.256 -5.120 1.00 63.11 H new ATOM 0 HA SER A 51 -7.109 4.059 -2.360 1.00 44.42 H new ATOM 0 HB2 SER A 51 -4.724 3.104 -4.014 1.00 34.21 H new ATOM 0 HB3 SER A 51 -5.139 2.527 -2.412 1.00 34.21 H new ATOM 0 HG SER A 51 -6.548 2.155 -4.864 1.00 74.23 H new ATOM 833 N LEU A 52 -4.480 5.891 -3.193 1.00 21.53 N ATOM 834 CA LEU A 52 -3.553 6.915 -2.690 1.00 25.43 C ATOM 835 C LEU A 52 -4.303 8.013 -1.917 1.00 62.24 C ATOM 836 O LEU A 52 -3.942 8.355 -0.788 1.00 14.05 O ATOM 837 CB LEU A 52 -2.771 7.540 -3.856 1.00 31.14 C ATOM 838 CG LEU A 52 -1.826 6.585 -4.601 1.00 5.10 C ATOM 839 CD1 LEU A 52 -1.195 7.280 -5.806 1.00 34.34 C ATOM 840 CD2 LEU A 52 -0.752 6.051 -3.657 1.00 31.11 C ATOM 0 H LEU A 52 -4.425 5.734 -4.199 1.00 21.53 H new ATOM 0 HA LEU A 52 -2.856 6.430 -2.006 1.00 25.43 H new ATOM 0 HB2 LEU A 52 -3.484 7.950 -4.571 1.00 31.14 H new ATOM 0 HB3 LEU A 52 -2.187 8.377 -3.473 1.00 31.14 H new ATOM 0 HG LEU A 52 -2.409 5.740 -4.967 1.00 5.10 H new ATOM 0 HD11 LEU A 52 -0.529 6.586 -6.319 1.00 34.34 H new ATOM 0 HD12 LEU A 52 -1.979 7.604 -6.491 1.00 34.34 H new ATOM 0 HD13 LEU A 52 -0.626 8.146 -5.469 1.00 34.34 H new ATOM 0 HD21 LEU A 52 -0.092 5.376 -4.202 1.00 31.11 H new ATOM 0 HD22 LEU A 52 -0.172 6.883 -3.258 1.00 31.11 H new ATOM 0 HD23 LEU A 52 -1.225 5.512 -2.836 1.00 31.11 H new ATOM 852 N LYS A 53 -5.354 8.552 -2.532 1.00 32.04 N ATOM 853 CA LYS A 53 -6.177 9.585 -1.895 1.00 71.10 C ATOM 854 C LYS A 53 -6.810 9.072 -0.590 1.00 52.00 C ATOM 855 O LYS A 53 -6.898 9.805 0.400 1.00 51.21 O ATOM 856 CB LYS A 53 -7.267 10.069 -2.864 1.00 5.33 C ATOM 857 CG LYS A 53 -8.174 11.149 -2.277 1.00 5.34 C ATOM 858 CD LYS A 53 -9.156 11.702 -3.308 1.00 51.45 C ATOM 859 CE LYS A 53 -8.442 12.422 -4.446 1.00 44.11 C ATOM 860 NZ LYS A 53 -9.402 13.019 -5.410 1.00 34.41 N ATOM 0 H LYS A 53 -5.658 8.292 -3.470 1.00 32.04 H new ATOM 0 HA LYS A 53 -5.528 10.424 -1.644 1.00 71.10 H new ATOM 0 HB2 LYS A 53 -6.793 10.456 -3.766 1.00 5.33 H new ATOM 0 HB3 LYS A 53 -7.878 9.218 -3.165 1.00 5.33 H new ATOM 0 HG2 LYS A 53 -8.729 10.736 -1.434 1.00 5.34 H new ATOM 0 HG3 LYS A 53 -7.562 11.963 -1.888 1.00 5.34 H new ATOM 0 HD2 LYS A 53 -9.754 10.886 -3.714 1.00 51.45 H new ATOM 0 HD3 LYS A 53 -9.846 12.390 -2.819 1.00 51.45 H new ATOM 0 HE2 LYS A 53 -7.804 13.205 -4.037 1.00 44.11 H new ATOM 0 HE3 LYS A 53 -7.791 11.721 -4.968 1.00 44.11 H new ATOM 0 HZ1 LYS A 53 -8.878 13.500 -6.169 1.00 34.41 H new ATOM 0 HZ2 LYS A 53 -9.995 12.269 -5.820 1.00 34.41 H new ATOM 0 HZ3 LYS A 53 -10.006 13.707 -4.917 1.00 34.41 H new ATOM 874 N PHE A 54 -7.240 7.809 -0.591 1.00 2.12 N ATOM 875 CA PHE A 54 -7.811 7.185 0.609 1.00 54.03 C ATOM 876 C PHE A 54 -6.772 7.101 1.742 1.00 0.41 C ATOM 877 O PHE A 54 -7.085 7.361 2.904 1.00 70.33 O ATOM 878 CB PHE A 54 -8.350 5.782 0.282 1.00 73.55 C ATOM 879 CG PHE A 54 -9.043 5.116 1.449 1.00 13.33 C ATOM 880 CD1 PHE A 54 -10.376 5.385 1.727 1.00 33.41 C ATOM 881 CD2 PHE A 54 -8.360 4.226 2.268 1.00 14.03 C ATOM 882 CE1 PHE A 54 -11.012 4.783 2.797 1.00 64.11 C ATOM 883 CE2 PHE A 54 -8.992 3.625 3.340 1.00 54.12 C ATOM 884 CZ PHE A 54 -10.318 3.903 3.604 1.00 43.33 C ATOM 0 H PHE A 54 -7.205 7.197 -1.406 1.00 2.12 H new ATOM 0 HA PHE A 54 -8.636 7.811 0.949 1.00 54.03 H new ATOM 0 HB2 PHE A 54 -9.048 5.855 -0.552 1.00 73.55 H new ATOM 0 HB3 PHE A 54 -7.524 5.152 -0.048 1.00 73.55 H new ATOM 0 HD1 PHE A 54 -10.923 6.073 1.100 1.00 33.41 H new ATOM 0 HD2 PHE A 54 -7.323 4.001 2.065 1.00 14.03 H new ATOM 0 HE1 PHE A 54 -12.050 5.001 3.001 1.00 64.11 H new ATOM 0 HE2 PHE A 54 -8.448 2.938 3.971 1.00 54.12 H new ATOM 0 HZ PHE A 54 -10.812 3.433 4.441 1.00 43.33 H new ATOM 894 N LEU A 55 -5.537 6.744 1.393 1.00 52.43 N ATOM 895 CA LEU A 55 -4.448 6.661 2.375 1.00 54.54 C ATOM 896 C LEU A 55 -4.112 8.044 2.963 1.00 60.42 C ATOM 897 O LEU A 55 -3.729 8.160 4.127 1.00 3.32 O ATOM 898 CB LEU A 55 -3.196 6.047 1.730 1.00 34.43 C ATOM 899 CG LEU A 55 -3.377 4.628 1.163 1.00 0.41 C ATOM 900 CD1 LEU A 55 -2.070 4.115 0.564 1.00 61.22 C ATOM 901 CD2 LEU A 55 -3.900 3.671 2.237 1.00 65.35 C ATOM 0 H LEU A 55 -5.262 6.507 0.440 1.00 52.43 H new ATOM 0 HA LEU A 55 -4.785 6.021 3.190 1.00 54.54 H new ATOM 0 HB2 LEU A 55 -2.864 6.702 0.925 1.00 34.43 H new ATOM 0 HB3 LEU A 55 -2.399 6.025 2.473 1.00 34.43 H new ATOM 0 HG LEU A 55 -4.120 4.674 0.367 1.00 0.41 H new ATOM 0 HD11 LEU A 55 -2.220 3.110 0.169 1.00 61.22 H new ATOM 0 HD12 LEU A 55 -1.754 4.778 -0.241 1.00 61.22 H new ATOM 0 HD13 LEU A 55 -1.301 4.090 1.336 1.00 61.22 H new ATOM 0 HD21 LEU A 55 -4.019 2.675 1.810 1.00 65.35 H new ATOM 0 HD22 LEU A 55 -3.191 3.629 3.064 1.00 65.35 H new ATOM 0 HD23 LEU A 55 -4.863 4.026 2.603 1.00 65.35 H new ATOM 913 N ARG A 56 -4.256 9.087 2.145 1.00 34.04 N ATOM 914 CA ARG A 56 -4.027 10.470 2.590 1.00 24.31 C ATOM 915 C ARG A 56 -5.036 10.890 3.677 1.00 22.33 C ATOM 916 O ARG A 56 -4.664 11.502 4.683 1.00 31.31 O ATOM 917 CB ARG A 56 -4.124 11.432 1.395 1.00 12.52 C ATOM 918 CG ARG A 56 -3.049 11.223 0.329 1.00 63.11 C ATOM 919 CD ARG A 56 -1.659 11.590 0.841 1.00 41.32 C ATOM 920 NE ARG A 56 -1.582 12.988 1.271 1.00 72.21 N ATOM 921 CZ ARG A 56 -0.474 13.672 1.369 1.00 3.31 C ATOM 922 NH1 ARG A 56 0.663 13.136 1.062 1.00 44.52 N ATOM 923 NH2 ARG A 56 -0.508 14.899 1.772 1.00 53.55 N ATOM 0 H ARG A 56 -4.531 9.004 1.166 1.00 34.04 H new ATOM 0 HA ARG A 56 -3.026 10.518 3.019 1.00 24.31 H new ATOM 0 HB2 ARG A 56 -5.104 11.320 0.932 1.00 12.52 H new ATOM 0 HB3 ARG A 56 -4.060 12.456 1.762 1.00 12.52 H new ATOM 0 HG2 ARG A 56 -3.054 10.181 0.008 1.00 63.11 H new ATOM 0 HG3 ARG A 56 -3.284 11.828 -0.547 1.00 63.11 H new ATOM 0 HD2 ARG A 56 -1.397 10.939 1.675 1.00 41.32 H new ATOM 0 HD3 ARG A 56 -0.925 11.412 0.055 1.00 41.32 H new ATOM 0 HE ARG A 56 -2.454 13.460 1.510 1.00 72.21 H new ATOM 0 HH11 ARG A 56 0.700 12.169 0.739 1.00 44.52 H new ATOM 0 HH12 ARG A 56 1.522 13.680 1.143 1.00 44.52 H new ATOM 0 HH21 ARG A 56 -1.399 15.332 2.013 1.00 53.55 H new ATOM 0 HH22 ARG A 56 0.357 15.435 1.849 1.00 53.55 H new ATOM 937 N LYS A 57 -6.314 10.570 3.467 1.00 3.34 N ATOM 938 CA LYS A 57 -7.358 10.896 4.449 1.00 12.34 C ATOM 939 C LYS A 57 -7.344 9.907 5.630 1.00 74.33 C ATOM 940 O LYS A 57 -7.245 10.314 6.790 1.00 53.33 O ATOM 941 CB LYS A 57 -8.743 10.946 3.781 1.00 12.44 C ATOM 942 CG LYS A 57 -9.127 9.676 3.027 1.00 54.22 C ATOM 943 CD LYS A 57 -10.494 9.797 2.364 1.00 1.21 C ATOM 944 CE LYS A 57 -11.600 10.035 3.385 1.00 62.34 C ATOM 945 NZ LYS A 57 -12.925 10.193 2.736 1.00 24.51 N ATOM 0 H LYS A 57 -6.653 10.089 2.634 1.00 3.34 H new ATOM 0 HA LYS A 57 -7.142 11.887 4.849 1.00 12.34 H new ATOM 0 HB2 LYS A 57 -9.495 11.141 4.546 1.00 12.44 H new ATOM 0 HB3 LYS A 57 -8.768 11.787 3.088 1.00 12.44 H new ATOM 0 HG2 LYS A 57 -8.374 9.463 2.268 1.00 54.22 H new ATOM 0 HG3 LYS A 57 -9.132 8.832 3.717 1.00 54.22 H new ATOM 0 HD2 LYS A 57 -10.479 10.618 1.647 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -10.707 8.887 1.803 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -11.635 9.199 4.084 1.00 62.34 H new ATOM 0 HE3 LYS A 57 -11.372 10.928 3.967 1.00 62.34 H new ATOM 0 HZ1 LYS A 57 -13.651 10.353 3.463 1.00 24.51 H new ATOM 0 HZ2 LYS A 57 -12.899 11.006 2.088 1.00 24.51 H new ATOM 0 HZ3 LYS A 57 -13.155 9.331 2.201 1.00 24.51 H new ATOM 959 N THR A 58 -7.429 8.611 5.334 1.00 5.33 N ATOM 960 CA THR A 58 -7.313 7.571 6.361 1.00 2.52 C ATOM 961 C THR A 58 -5.832 7.269 6.637 1.00 44.02 C ATOM 962 O THR A 58 -5.244 6.347 6.066 1.00 43.22 O ATOM 963 CB THR A 58 -8.057 6.275 5.946 1.00 55.43 C ATOM 964 OG1 THR A 58 -9.452 6.556 5.750 1.00 63.22 O ATOM 965 CG2 THR A 58 -7.910 5.180 6.997 1.00 12.44 C ATOM 0 H THR A 58 -7.578 8.253 4.390 1.00 5.33 H new ATOM 0 HA THR A 58 -7.781 7.944 7.272 1.00 2.52 H new ATOM 0 HB THR A 58 -7.610 5.920 5.017 1.00 55.43 H new ATOM 0 HG1 THR A 58 -9.841 5.882 5.154 1.00 63.22 H new ATOM 0 HG21 THR A 58 -8.445 4.288 6.670 1.00 12.44 H new ATOM 0 HG22 THR A 58 -6.855 4.942 7.129 1.00 12.44 H new ATOM 0 HG23 THR A 58 -8.326 5.526 7.943 1.00 12.44 H new ATOM 973 N ASP A 59 -5.239 8.068 7.517 1.00 33.51 N ATOM 974 CA ASP A 59 -3.790 8.072 7.724 1.00 4.20 C ATOM 975 C ASP A 59 -3.248 6.722 8.238 1.00 65.44 C ATOM 976 O ASP A 59 -2.235 6.227 7.738 1.00 74.11 O ATOM 977 CB ASP A 59 -3.423 9.204 8.685 1.00 45.31 C ATOM 978 CG ASP A 59 -1.931 9.456 8.735 1.00 51.44 C ATOM 979 OD1 ASP A 59 -1.414 10.167 7.843 1.00 54.43 O ATOM 980 OD2 ASP A 59 -1.267 8.957 9.663 1.00 74.22 O ATOM 0 H ASP A 59 -5.744 8.730 8.106 1.00 33.51 H new ATOM 0 HA ASP A 59 -3.319 8.235 6.755 1.00 4.20 H new ATOM 0 HB2 ASP A 59 -3.933 10.117 8.378 1.00 45.31 H new ATOM 0 HB3 ASP A 59 -3.781 8.959 9.685 1.00 45.31 H new ATOM 985 N TRP A 60 -3.919 6.124 9.225 1.00 63.25 N ATOM 986 CA TRP A 60 -3.453 4.855 9.808 1.00 41.24 C ATOM 987 C TRP A 60 -3.333 3.746 8.744 1.00 61.11 C ATOM 988 O TRP A 60 -2.436 2.903 8.810 1.00 2.13 O ATOM 989 CB TRP A 60 -4.370 4.401 10.957 1.00 71.34 C ATOM 990 CG TRP A 60 -5.772 4.058 10.541 1.00 41.44 C ATOM 991 CD1 TRP A 60 -6.830 4.914 10.417 1.00 23.14 C ATOM 992 CD2 TRP A 60 -6.271 2.754 10.211 1.00 25.33 C ATOM 993 NE1 TRP A 60 -7.950 4.224 10.021 1.00 31.42 N ATOM 994 CE2 TRP A 60 -7.632 2.898 9.884 1.00 43.31 C ATOM 995 CE3 TRP A 60 -5.694 1.480 10.150 1.00 51.51 C ATOM 996 CZ2 TRP A 60 -8.425 1.816 9.510 1.00 34.34 C ATOM 997 CZ3 TRP A 60 -6.482 0.407 9.779 1.00 72.04 C ATOM 998 CH2 TRP A 60 -7.835 0.581 9.460 1.00 45.04 C ATOM 0 H TRP A 60 -4.778 6.490 9.636 1.00 63.25 H new ATOM 0 HA TRP A 60 -2.457 5.037 10.213 1.00 41.24 H new ATOM 0 HB2 TRP A 60 -3.924 3.530 11.437 1.00 71.34 H new ATOM 0 HB3 TRP A 60 -4.411 5.192 11.706 1.00 71.34 H new ATOM 0 HD1 TRP A 60 -6.791 5.977 10.603 1.00 23.14 H new ATOM 0 HE1 TRP A 60 -8.870 4.633 9.856 1.00 31.42 H new ATOM 0 HE3 TRP A 60 -4.650 1.338 10.389 1.00 51.51 H new ATOM 0 HZ2 TRP A 60 -9.469 1.946 9.268 1.00 34.34 H new ATOM 0 HZ3 TRP A 60 -6.048 -0.581 9.734 1.00 72.04 H new ATOM 0 HH2 TRP A 60 -8.425 -0.276 9.169 1.00 45.04 H new ATOM 1009 N ALA A 61 -4.235 3.757 7.760 1.00 54.40 N ATOM 1010 CA ALA A 61 -4.165 2.806 6.645 1.00 41.34 C ATOM 1011 C ALA A 61 -2.865 2.998 5.853 1.00 61.32 C ATOM 1012 O ALA A 61 -2.204 2.031 5.475 1.00 31.13 O ATOM 1013 CB ALA A 61 -5.378 2.964 5.734 1.00 51.35 C ATOM 0 H ALA A 61 -5.018 4.409 7.711 1.00 54.40 H new ATOM 0 HA ALA A 61 -4.170 1.795 7.053 1.00 41.34 H new ATOM 0 HB1 ALA A 61 -5.311 2.251 4.912 1.00 51.35 H new ATOM 0 HB2 ALA A 61 -6.288 2.776 6.304 1.00 51.35 H new ATOM 0 HB3 ALA A 61 -5.403 3.978 5.334 1.00 51.35 H new ATOM 1019 N ARG A 62 -2.500 4.261 5.623 1.00 31.32 N ATOM 1020 CA ARG A 62 -1.236 4.605 4.961 1.00 25.32 C ATOM 1021 C ARG A 62 -0.037 4.032 5.733 1.00 4.13 C ATOM 1022 O ARG A 62 0.885 3.467 5.139 1.00 70.20 O ATOM 1023 CB ARG A 62 -1.124 6.138 4.826 1.00 22.11 C ATOM 1024 CG ARG A 62 0.177 6.650 4.196 1.00 62.14 C ATOM 1025 CD ARG A 62 1.272 6.910 5.234 1.00 61.33 C ATOM 1026 NE ARG A 62 0.873 7.919 6.217 1.00 75.52 N ATOM 1027 CZ ARG A 62 1.566 8.224 7.282 1.00 25.34 C ATOM 1028 NH1 ARG A 62 2.680 7.621 7.543 1.00 2.13 N ATOM 1029 NH2 ARG A 62 1.131 9.124 8.100 1.00 35.01 N ATOM 0 H ARG A 62 -3.065 5.068 5.887 1.00 31.32 H new ATOM 0 HA ARG A 62 -1.226 4.161 3.966 1.00 25.32 H new ATOM 0 HB2 ARG A 62 -1.962 6.495 4.228 1.00 22.11 H new ATOM 0 HB3 ARG A 62 -1.227 6.581 5.816 1.00 22.11 H new ATOM 0 HG2 ARG A 62 0.536 5.921 3.470 1.00 62.14 H new ATOM 0 HG3 ARG A 62 -0.026 7.571 3.649 1.00 62.14 H new ATOM 0 HD2 ARG A 62 1.512 5.979 5.748 1.00 61.33 H new ATOM 0 HD3 ARG A 62 2.180 7.237 4.728 1.00 61.33 H new ATOM 0 HE ARG A 62 -0.004 8.417 6.060 1.00 75.52 H new ATOM 0 HH11 ARG A 62 3.028 6.897 6.914 1.00 2.13 H new ATOM 0 HH12 ARG A 62 3.211 7.869 8.378 1.00 2.13 H new ATOM 0 HH21 ARG A 62 0.246 9.597 7.915 1.00 35.01 H new ATOM 0 HH22 ARG A 62 1.672 9.362 8.931 1.00 35.01 H new ATOM 1043 N GLU A 63 -0.064 4.177 7.059 1.00 11.15 N ATOM 1044 CA GLU A 63 0.995 3.639 7.921 1.00 45.32 C ATOM 1045 C GLU A 63 1.075 2.106 7.811 1.00 2.44 C ATOM 1046 O GLU A 63 2.164 1.528 7.826 1.00 53.43 O ATOM 1047 CB GLU A 63 0.762 4.057 9.380 1.00 60.53 C ATOM 1048 CG GLU A 63 0.647 5.566 9.573 1.00 64.22 C ATOM 1049 CD GLU A 63 0.486 5.973 11.032 1.00 41.32 C ATOM 1050 OE1 GLU A 63 -0.486 5.523 11.676 1.00 71.31 O ATOM 1051 OE2 GLU A 63 1.333 6.742 11.541 1.00 34.03 O ATOM 0 H GLU A 63 -0.807 4.662 7.561 1.00 11.15 H new ATOM 0 HA GLU A 63 1.945 4.052 7.584 1.00 45.32 H new ATOM 0 HB2 GLU A 63 -0.149 3.582 9.744 1.00 60.53 H new ATOM 0 HB3 GLU A 63 1.583 3.683 9.992 1.00 60.53 H new ATOM 0 HG2 GLU A 63 1.536 6.047 9.164 1.00 64.22 H new ATOM 0 HG3 GLU A 63 -0.206 5.935 9.003 1.00 64.22 H new ATOM 1058 N ARG A 64 -0.084 1.451 7.692 1.00 10.01 N ATOM 1059 CA ARG A 64 -0.127 -0.001 7.474 1.00 63.43 C ATOM 1060 C ARG A 64 0.539 -0.374 6.139 1.00 44.23 C ATOM 1061 O ARG A 64 1.349 -1.299 6.073 1.00 35.04 O ATOM 1062 CB ARG A 64 -1.574 -0.523 7.482 1.00 21.21 C ATOM 1063 CG ARG A 64 -2.352 -0.281 8.776 1.00 1.22 C ATOM 1064 CD ARG A 64 -1.591 -0.747 10.017 1.00 60.24 C ATOM 1065 NE ARG A 64 -0.733 0.306 10.558 1.00 72.12 N ATOM 1066 CZ ARG A 64 0.459 0.113 11.054 1.00 44.24 C ATOM 1067 NH1 ARG A 64 0.998 -1.066 11.065 1.00 4.12 N ATOM 1068 NH2 ARG A 64 1.111 1.108 11.554 1.00 10.32 N ATOM 0 H ARG A 64 -1.000 1.898 7.742 1.00 10.01 H new ATOM 0 HA ARG A 64 0.421 -0.467 8.293 1.00 63.43 H new ATOM 0 HB2 ARG A 64 -2.115 -0.055 6.660 1.00 21.21 H new ATOM 0 HB3 ARG A 64 -1.557 -1.595 7.284 1.00 21.21 H new ATOM 0 HG2 ARG A 64 -2.574 0.782 8.869 1.00 1.22 H new ATOM 0 HG3 ARG A 64 -3.308 -0.802 8.724 1.00 1.22 H new ATOM 0 HD2 ARG A 64 -2.301 -1.064 10.780 1.00 60.24 H new ATOM 0 HD3 ARG A 64 -0.984 -1.616 9.765 1.00 60.24 H new ATOM 0 HE ARG A 64 -1.092 1.261 10.547 1.00 72.12 H new ATOM 0 HH11 ARG A 64 0.490 -1.863 10.682 1.00 4.12 H new ATOM 0 HH12 ARG A 64 1.931 -1.197 11.457 1.00 4.12 H new ATOM 0 HH21 ARG A 64 0.695 2.039 11.560 1.00 10.32 H new ATOM 0 HH22 ARG A 64 2.043 0.963 11.943 1.00 10.32 H new ATOM 1082 N VAL A 65 0.187 0.357 5.081 1.00 50.24 N ATOM 1083 CA VAL A 65 0.757 0.136 3.745 1.00 4.31 C ATOM 1084 C VAL A 65 2.297 0.207 3.761 1.00 2.14 C ATOM 1085 O VAL A 65 2.972 -0.632 3.159 1.00 25.24 O ATOM 1086 CB VAL A 65 0.195 1.165 2.729 1.00 42.44 C ATOM 1087 CG1 VAL A 65 0.874 1.036 1.368 1.00 72.41 C ATOM 1088 CG2 VAL A 65 -1.320 1.004 2.591 1.00 52.10 C ATOM 0 H VAL A 65 -0.495 1.114 5.121 1.00 50.24 H new ATOM 0 HA VAL A 65 0.467 -0.868 3.436 1.00 4.31 H new ATOM 0 HB VAL A 65 0.409 2.163 3.111 1.00 42.44 H new ATOM 0 HG11 VAL A 65 0.456 1.772 0.681 1.00 72.41 H new ATOM 0 HG12 VAL A 65 1.945 1.209 1.478 1.00 72.41 H new ATOM 0 HG13 VAL A 65 0.707 0.034 0.972 1.00 72.41 H new ATOM 0 HG21 VAL A 65 -1.700 1.733 1.875 1.00 52.10 H new ATOM 0 HG22 VAL A 65 -1.548 -0.002 2.240 1.00 52.10 H new ATOM 0 HG23 VAL A 65 -1.793 1.167 3.559 1.00 52.10 H new ATOM 1098 N GLU A 66 2.844 1.204 4.455 1.00 21.14 N ATOM 1099 CA GLU A 66 4.300 1.325 4.615 1.00 25.32 C ATOM 1100 C GLU A 66 4.887 0.067 5.271 1.00 22.41 C ATOM 1101 O GLU A 66 5.900 -0.478 4.819 1.00 64.55 O ATOM 1102 CB GLU A 66 4.648 2.553 5.465 1.00 4.05 C ATOM 1103 CG GLU A 66 4.201 3.881 4.864 1.00 61.20 C ATOM 1104 CD GLU A 66 4.579 5.065 5.739 1.00 21.31 C ATOM 1105 OE1 GLU A 66 3.838 5.366 6.696 1.00 23.13 O ATOM 1106 OE2 GLU A 66 5.628 5.693 5.486 1.00 72.14 O ATOM 0 H GLU A 66 2.307 1.939 4.915 1.00 21.14 H new ATOM 0 HA GLU A 66 4.734 1.440 3.622 1.00 25.32 H new ATOM 0 HB2 GLU A 66 4.191 2.441 6.448 1.00 4.05 H new ATOM 0 HB3 GLU A 66 5.727 2.581 5.616 1.00 4.05 H new ATOM 0 HG2 GLU A 66 4.651 4.002 3.879 1.00 61.20 H new ATOM 0 HG3 GLU A 66 3.120 3.868 4.721 1.00 61.20 H new ATOM 1113 N ASN A 67 4.234 -0.392 6.337 1.00 63.43 N ATOM 1114 CA ASN A 67 4.666 -1.592 7.060 1.00 41.03 C ATOM 1115 C ASN A 67 4.629 -2.830 6.139 1.00 52.02 C ATOM 1116 O ASN A 67 5.483 -3.714 6.221 1.00 40.34 O ATOM 1117 CB ASN A 67 3.769 -1.805 8.288 1.00 65.40 C ATOM 1118 CG ASN A 67 4.350 -2.801 9.279 1.00 60.23 C ATOM 1119 OD1 ASN A 67 5.558 -2.899 9.448 1.00 15.12 O ATOM 1120 ND2 ASN A 67 3.495 -3.549 9.940 1.00 0.52 N ATOM 0 H ASN A 67 3.399 0.050 6.723 1.00 63.43 H new ATOM 0 HA ASN A 67 5.695 -1.453 7.391 1.00 41.03 H new ATOM 0 HB2 ASN A 67 3.615 -0.849 8.789 1.00 65.40 H new ATOM 0 HB3 ASN A 67 2.790 -2.155 7.960 1.00 65.40 H new ATOM 0 HD21 ASN A 67 3.833 -4.234 10.616 1.00 0.52 H new ATOM 0 HD22 ASN A 67 2.494 -3.444 9.777 1.00 0.52 H new ATOM 1127 N ILE A 68 3.632 -2.877 5.252 1.00 4.43 N ATOM 1128 CA ILE A 68 3.530 -3.945 4.248 1.00 15.13 C ATOM 1129 C ILE A 68 4.753 -3.948 3.315 1.00 63.25 C ATOM 1130 O ILE A 68 5.288 -5.007 2.974 1.00 71.41 O ATOM 1131 CB ILE A 68 2.239 -3.806 3.402 1.00 52.41 C ATOM 1132 CG1 ILE A 68 0.995 -3.955 4.295 1.00 62.23 C ATOM 1133 CG2 ILE A 68 2.220 -4.835 2.269 1.00 53.30 C ATOM 1134 CD1 ILE A 68 -0.316 -3.786 3.554 1.00 44.33 C ATOM 0 H ILE A 68 2.882 -2.188 5.207 1.00 4.43 H new ATOM 0 HA ILE A 68 3.494 -4.889 4.792 1.00 15.13 H new ATOM 0 HB ILE A 68 2.225 -2.812 2.955 1.00 52.41 H new ATOM 0 HG12 ILE A 68 1.012 -4.939 4.764 1.00 62.23 H new ATOM 0 HG13 ILE A 68 1.045 -3.219 5.097 1.00 62.23 H new ATOM 0 HG21 ILE A 68 1.305 -4.720 1.688 1.00 53.30 H new ATOM 0 HG22 ILE A 68 3.083 -4.679 1.622 1.00 53.30 H new ATOM 0 HG23 ILE A 68 2.258 -5.840 2.689 1.00 53.30 H new ATOM 0 HD11 ILE A 68 -1.146 -3.905 4.251 1.00 44.33 H new ATOM 0 HD12 ILE A 68 -0.356 -2.792 3.108 1.00 44.33 H new ATOM 0 HD13 ILE A 68 -0.390 -4.539 2.769 1.00 44.33 H new ATOM 1146 N TYR A 69 5.193 -2.759 2.907 1.00 10.35 N ATOM 1147 CA TYR A 69 6.394 -2.631 2.078 1.00 31.25 C ATOM 1148 C TYR A 69 7.631 -3.126 2.844 1.00 74.24 C ATOM 1149 O TYR A 69 8.529 -3.743 2.267 1.00 32.22 O ATOM 1150 CB TYR A 69 6.584 -1.176 1.626 1.00 4.42 C ATOM 1151 CG TYR A 69 7.619 -1.009 0.528 1.00 64.23 C ATOM 1152 CD1 TYR A 69 7.328 -1.381 -0.781 1.00 34.24 C ATOM 1153 CD2 TYR A 69 8.882 -0.491 0.797 1.00 13.02 C ATOM 1154 CE1 TYR A 69 8.262 -1.242 -1.789 1.00 44.51 C ATOM 1155 CE2 TYR A 69 9.822 -0.350 -0.207 1.00 14.01 C ATOM 1156 CZ TYR A 69 9.508 -0.728 -1.497 1.00 54.21 C ATOM 1157 OH TYR A 69 10.442 -0.594 -2.498 1.00 63.13 O ATOM 0 H TYR A 69 4.740 -1.874 3.134 1.00 10.35 H new ATOM 0 HA TYR A 69 6.269 -3.251 1.191 1.00 31.25 H new ATOM 0 HB2 TYR A 69 5.629 -0.786 1.275 1.00 4.42 H new ATOM 0 HB3 TYR A 69 6.878 -0.573 2.485 1.00 4.42 H new ATOM 0 HD1 TYR A 69 6.354 -1.786 -1.013 1.00 34.24 H new ATOM 0 HD2 TYR A 69 9.132 -0.195 1.805 1.00 13.02 H new ATOM 0 HE1 TYR A 69 8.018 -1.534 -2.800 1.00 44.51 H new ATOM 0 HE2 TYR A 69 10.798 0.054 0.017 1.00 14.01 H new ATOM 0 HH TYR A 69 10.004 -0.692 -3.369 1.00 63.13 H new ATOM 1167 N LEU A 70 7.661 -2.870 4.150 1.00 2.54 N ATOM 1168 CA LEU A 70 8.736 -3.371 5.013 1.00 72.44 C ATOM 1169 C LEU A 70 8.740 -4.909 5.052 1.00 24.42 C ATOM 1170 O LEU A 70 9.803 -5.534 5.096 1.00 64.43 O ATOM 1171 CB LEU A 70 8.599 -2.797 6.429 1.00 74.05 C ATOM 1172 CG LEU A 70 8.690 -1.263 6.524 1.00 12.30 C ATOM 1173 CD1 LEU A 70 8.504 -0.793 7.966 1.00 64.44 C ATOM 1174 CD2 LEU A 70 10.020 -0.765 5.957 1.00 30.04 C ATOM 0 H LEU A 70 6.954 -2.319 4.637 1.00 2.54 H new ATOM 0 HA LEU A 70 9.687 -3.041 4.595 1.00 72.44 H new ATOM 0 HB2 LEU A 70 7.642 -3.115 6.842 1.00 74.05 H new ATOM 0 HB3 LEU A 70 9.377 -3.231 7.057 1.00 74.05 H new ATOM 0 HG LEU A 70 7.884 -0.838 5.926 1.00 12.30 H new ATOM 0 HD11 LEU A 70 8.573 0.294 8.006 1.00 64.44 H new ATOM 0 HD12 LEU A 70 7.525 -1.108 8.328 1.00 64.44 H new ATOM 0 HD13 LEU A 70 9.281 -1.229 8.594 1.00 64.44 H new ATOM 0 HD21 LEU A 70 10.064 0.321 6.034 1.00 30.04 H new ATOM 0 HD22 LEU A 70 10.843 -1.202 6.522 1.00 30.04 H new ATOM 0 HD23 LEU A 70 10.102 -1.059 4.910 1.00 30.04 H new ATOM 1186 N LYS A 71 7.547 -5.515 5.036 1.00 74.03 N ATOM 1187 CA LYS A 71 7.425 -6.976 4.907 1.00 32.12 C ATOM 1188 C LYS A 71 8.109 -7.463 3.623 1.00 63.32 C ATOM 1189 O LYS A 71 8.770 -8.501 3.609 1.00 52.11 O ATOM 1190 CB LYS A 71 5.950 -7.408 4.893 1.00 34.35 C ATOM 1191 CG LYS A 71 5.201 -7.132 6.193 1.00 23.34 C ATOM 1192 CD LYS A 71 3.757 -7.636 6.136 1.00 44.42 C ATOM 1193 CE LYS A 71 3.683 -9.133 5.847 1.00 60.01 C ATOM 1194 NZ LYS A 71 2.279 -9.617 5.779 1.00 41.12 N ATOM 0 H LYS A 71 6.657 -5.023 5.110 1.00 74.03 H new ATOM 0 HA LYS A 71 7.916 -7.425 5.771 1.00 32.12 H new ATOM 0 HB2 LYS A 71 5.441 -6.893 4.078 1.00 34.35 H new ATOM 0 HB3 LYS A 71 5.898 -8.475 4.678 1.00 34.35 H new ATOM 0 HG2 LYS A 71 5.721 -7.613 7.021 1.00 23.34 H new ATOM 0 HG3 LYS A 71 5.204 -6.061 6.394 1.00 23.34 H new ATOM 0 HD2 LYS A 71 3.262 -7.425 7.084 1.00 44.42 H new ATOM 0 HD3 LYS A 71 3.213 -7.091 5.364 1.00 44.42 H new ATOM 0 HE2 LYS A 71 4.186 -9.346 4.904 1.00 60.01 H new ATOM 0 HE3 LYS A 71 4.218 -9.679 6.624 1.00 60.01 H new ATOM 0 HZ1 LYS A 71 2.269 -10.613 5.481 1.00 41.12 H new ATOM 0 HZ2 LYS A 71 1.836 -9.531 6.716 1.00 41.12 H new ATOM 0 HZ3 LYS A 71 1.748 -9.045 5.092 1.00 41.12 H new ATOM 1208 N LEU A 72 7.945 -6.699 2.544 1.00 21.24 N ATOM 1209 CA LEU A 72 8.615 -6.997 1.277 1.00 62.53 C ATOM 1210 C LEU A 72 10.138 -6.874 1.421 1.00 3.11 C ATOM 1211 O LEU A 72 10.884 -7.751 0.995 1.00 50.42 O ATOM 1212 CB LEU A 72 8.111 -6.053 0.172 1.00 50.10 C ATOM 1213 CG LEU A 72 8.748 -6.253 -1.218 1.00 50.23 C ATOM 1214 CD1 LEU A 72 8.479 -7.661 -1.745 1.00 15.42 C ATOM 1215 CD2 LEU A 72 8.236 -5.199 -2.199 1.00 63.41 C ATOM 0 H LEU A 72 7.354 -5.868 2.521 1.00 21.24 H new ATOM 0 HA LEU A 72 8.378 -8.025 1.001 1.00 62.53 H new ATOM 0 HB2 LEU A 72 7.032 -6.176 0.078 1.00 50.10 H new ATOM 0 HB3 LEU A 72 8.288 -5.025 0.488 1.00 50.10 H new ATOM 0 HG LEU A 72 9.827 -6.133 -1.118 1.00 50.23 H new ATOM 0 HD11 LEU A 72 8.939 -7.776 -2.727 1.00 15.42 H new ATOM 0 HD12 LEU A 72 8.902 -8.394 -1.058 1.00 15.42 H new ATOM 0 HD13 LEU A 72 7.404 -7.819 -1.827 1.00 15.42 H new ATOM 0 HD21 LEU A 72 8.696 -5.356 -3.175 1.00 63.41 H new ATOM 0 HD22 LEU A 72 7.153 -5.283 -2.291 1.00 63.41 H new ATOM 0 HD23 LEU A 72 8.493 -4.205 -1.832 1.00 63.41 H new ATOM 1227 N GLN A 73 10.590 -5.787 2.051 1.00 12.03 N ATOM 1228 CA GLN A 73 12.028 -5.513 2.200 1.00 75.43 C ATOM 1229 C GLN A 73 12.758 -6.616 2.989 1.00 1.41 C ATOM 1230 O GLN A 73 13.885 -6.982 2.657 1.00 41.33 O ATOM 1231 CB GLN A 73 12.249 -4.155 2.886 1.00 61.45 C ATOM 1232 CG GLN A 73 11.590 -2.975 2.174 1.00 33.54 C ATOM 1233 CD GLN A 73 11.996 -2.855 0.714 1.00 62.12 C ATOM 1234 OE1 GLN A 73 12.983 -2.216 0.380 1.00 13.20 O ATOM 1235 NE2 GLN A 73 11.223 -3.458 -0.169 1.00 14.02 N ATOM 0 H GLN A 73 9.984 -5.080 2.467 1.00 12.03 H new ATOM 0 HA GLN A 73 12.450 -5.491 1.195 1.00 75.43 H new ATOM 0 HB2 GLN A 73 11.865 -4.209 3.905 1.00 61.45 H new ATOM 0 HB3 GLN A 73 13.320 -3.968 2.958 1.00 61.45 H new ATOM 0 HG2 GLN A 73 10.507 -3.080 2.236 1.00 33.54 H new ATOM 0 HG3 GLN A 73 11.851 -2.053 2.694 1.00 33.54 H new ATOM 0 HE21 GLN A 73 10.406 -3.984 0.143 1.00 14.02 H new ATOM 0 HE22 GLN A 73 11.442 -3.399 -1.163 1.00 14.02 H new