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= 0.0765 USER MOD Single : A 18 GLN : amide:sc= -0.021 K(o=-0.021,f=-1) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -1.74! (180deg=-3.01!) USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 27 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.3!) USER MOD Single : A 28 TYR OH : rot 30:sc=-0.00259 USER MOD Single : A 34 SER OG : rot 67:sc= -0.67 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -156:sc= -0.141 (180deg=-0.574) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc=-0.00558 K(o=-0.0056,f=-0.95) USER MOD Single : A 41 CYS SG : rot -23:sc= -2.06! USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.014 (180deg=-0.148) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 116:sc= 0.372 USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -0.0101 (180deg=-0.0946) USER MOD Single : A 50 SER OG : rot -145:sc= 0.278 USER MOD Single : A 51 SER OG : rot 180:sc= -0.069 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc=-0.00738 (180deg=-0.229) USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= -2.76! (180deg=-5.14!) USER MOD Single : A 58 THR OG1 : rot -170:sc= 1.83 USER MOD Single : A 67 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0073) USER MOD Single : A 69 TYR OH : rot 35:sc= 0.557 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.983 6.927 -2.802 1.00 63.44 N ATOM 220 CA ILE A 15 10.721 6.203 -3.009 1.00 54.22 C ATOM 221 C ILE A 15 9.514 6.985 -2.456 1.00 65.51 C ATOM 222 O ILE A 15 9.404 7.202 -1.248 1.00 73.44 O ATOM 223 CB ILE A 15 10.776 4.808 -2.326 1.00 53.33 C ATOM 224 CG1 ILE A 15 11.899 3.955 -2.940 1.00 64.53 C ATOM 225 CG2 ILE A 15 9.430 4.090 -2.432 1.00 2.54 C ATOM 226 CD1 ILE A 15 12.047 2.591 -2.298 1.00 12.23 C ATOM 0 HA ILE A 15 10.594 6.085 -4.085 1.00 54.22 H new ATOM 0 HB ILE A 15 10.992 4.955 -1.268 1.00 53.33 H new ATOM 0 HG12 ILE A 15 11.705 3.827 -4.005 1.00 64.53 H new ATOM 0 HG13 ILE A 15 12.843 4.493 -2.851 1.00 64.53 H new ATOM 0 HG21 ILE A 15 9.498 3.117 -1.946 1.00 2.54 H new ATOM 0 HG22 ILE A 15 8.660 4.687 -1.944 1.00 2.54 H new ATOM 0 HG23 ILE A 15 9.172 3.954 -3.482 1.00 2.54 H new ATOM 0 HD11 ILE A 15 12.858 2.047 -2.783 1.00 12.23 H new ATOM 0 HD12 ILE A 15 12.273 2.710 -1.238 1.00 12.23 H new ATOM 0 HD13 ILE A 15 11.117 2.033 -2.411 1.00 12.23 H new ATOM 238 N THR A 16 8.610 7.402 -3.344 1.00 71.10 N ATOM 239 CA THR A 16 7.381 8.106 -2.937 1.00 33.04 C ATOM 240 C THR A 16 6.284 7.120 -2.519 1.00 51.15 C ATOM 241 O THR A 16 6.451 5.905 -2.637 1.00 34.32 O ATOM 242 CB THR A 16 6.827 8.985 -4.085 1.00 72.33 C ATOM 243 OG1 THR A 16 6.504 8.164 -5.218 1.00 23.31 O ATOM 244 CG2 THR A 16 7.833 10.053 -4.497 1.00 72.21 C ATOM 0 H THR A 16 8.701 7.267 -4.351 1.00 71.10 H new ATOM 0 HA THR A 16 7.653 8.735 -2.090 1.00 33.04 H new ATOM 0 HB THR A 16 5.927 9.483 -3.724 1.00 72.33 H new ATOM 0 HG1 THR A 16 6.153 8.726 -5.940 1.00 23.31 H new ATOM 0 HG21 THR A 16 7.415 10.654 -5.305 1.00 72.21 H new ATOM 0 HG22 THR A 16 8.053 10.694 -3.644 1.00 72.21 H new ATOM 0 HG23 THR A 16 8.752 9.575 -4.838 1.00 72.21 H new ATOM 252 N LEU A 17 5.160 7.646 -2.027 1.00 13.25 N ATOM 253 CA LEU A 17 4.004 6.808 -1.680 1.00 3.52 C ATOM 254 C LEU A 17 3.509 6.026 -2.906 1.00 51.11 C ATOM 255 O LEU A 17 3.173 4.845 -2.813 1.00 2.43 O ATOM 256 CB LEU A 17 2.866 7.671 -1.109 1.00 65.51 C ATOM 257 CG LEU A 17 1.597 6.903 -0.693 1.00 21.43 C ATOM 258 CD1 LEU A 17 1.917 5.866 0.382 1.00 11.21 C ATOM 259 CD2 LEU A 17 0.514 7.871 -0.218 1.00 53.13 C ATOM 0 H LEU A 17 5.023 8.643 -1.860 1.00 13.25 H new ATOM 0 HA LEU A 17 4.320 6.094 -0.919 1.00 3.52 H new ATOM 0 HB2 LEU A 17 3.244 8.211 -0.241 1.00 65.51 H new ATOM 0 HB3 LEU A 17 2.590 8.417 -1.854 1.00 65.51 H new ATOM 0 HG LEU A 17 1.217 6.372 -1.566 1.00 21.43 H new ATOM 0 HD11 LEU A 17 1.006 5.337 0.660 1.00 11.21 H new ATOM 0 HD12 LEU A 17 2.647 5.154 -0.005 1.00 11.21 H new ATOM 0 HD13 LEU A 17 2.328 6.366 1.259 1.00 11.21 H new ATOM 0 HD21 LEU A 17 -0.374 7.310 0.071 1.00 53.13 H new ATOM 0 HD22 LEU A 17 0.881 8.436 0.639 1.00 53.13 H new ATOM 0 HD23 LEU A 17 0.261 8.559 -1.025 1.00 53.13 H new ATOM 271 N GLN A 18 3.474 6.703 -4.054 1.00 54.05 N ATOM 272 CA GLN A 18 3.108 6.076 -5.327 1.00 5.21 C ATOM 273 C GLN A 18 4.033 4.890 -5.654 1.00 53.22 C ATOM 274 O GLN A 18 3.568 3.778 -5.899 1.00 54.34 O ATOM 275 CB GLN A 18 3.181 7.110 -6.458 1.00 53.34 C ATOM 276 CG GLN A 18 2.846 6.545 -7.837 1.00 45.04 C ATOM 277 CD GLN A 18 3.184 7.504 -8.965 1.00 22.13 C ATOM 278 OE1 GLN A 18 4.120 8.295 -8.867 1.00 40.11 O ATOM 279 NE2 GLN A 18 2.440 7.436 -10.051 1.00 41.02 N ATOM 0 H GLN A 18 3.697 7.696 -4.129 1.00 54.05 H new ATOM 0 HA GLN A 18 2.089 5.700 -5.235 1.00 5.21 H new ATOM 0 HB2 GLN A 18 2.495 7.927 -6.235 1.00 53.34 H new ATOM 0 HB3 GLN A 18 4.185 7.535 -6.484 1.00 53.34 H new ATOM 0 HG2 GLN A 18 3.390 5.612 -7.984 1.00 45.04 H new ATOM 0 HG3 GLN A 18 1.784 6.304 -7.877 1.00 45.04 H new ATOM 0 HE21 GLN A 18 1.670 6.769 -10.101 1.00 41.02 H new ATOM 0 HE22 GLN A 18 2.634 8.051 -10.841 1.00 41.02 H new ATOM 288 N LYS A 19 5.345 5.144 -5.654 1.00 74.40 N ATOM 289 CA LYS A 19 6.345 4.102 -5.922 1.00 1.44 C ATOM 290 C LYS A 19 6.201 2.929 -4.938 1.00 33.24 C ATOM 291 O LYS A 19 6.196 1.761 -5.334 1.00 54.31 O ATOM 292 CB LYS A 19 7.760 4.700 -5.828 1.00 71.11 C ATOM 293 CG LYS A 19 8.887 3.699 -6.085 1.00 52.23 C ATOM 294 CD LYS A 19 8.942 3.233 -7.544 1.00 2.00 C ATOM 295 CE LYS A 19 9.642 4.239 -8.463 1.00 41.44 C ATOM 296 NZ LYS A 19 8.926 5.541 -8.556 1.00 32.13 N ATOM 0 H LYS A 19 5.742 6.066 -5.471 1.00 74.40 H new ATOM 0 HA LYS A 19 6.180 3.720 -6.929 1.00 1.44 H new ATOM 0 HB2 LYS A 19 7.845 5.516 -6.546 1.00 71.11 H new ATOM 0 HB3 LYS A 19 7.893 5.132 -4.836 1.00 71.11 H new ATOM 0 HG2 LYS A 19 9.840 4.155 -5.817 1.00 52.23 H new ATOM 0 HG3 LYS A 19 8.754 2.833 -5.436 1.00 52.23 H new ATOM 0 HD2 LYS A 19 9.463 2.277 -7.596 1.00 2.00 H new ATOM 0 HD3 LYS A 19 7.928 3.063 -7.905 1.00 2.00 H new ATOM 0 HE2 LYS A 19 10.654 4.413 -8.098 1.00 41.44 H new ATOM 0 HE3 LYS A 19 9.733 3.809 -9.460 1.00 41.44 H new ATOM 0 HZ1 LYS A 19 9.124 5.981 -9.477 1.00 32.13 H new ATOM 0 HZ2 LYS A 19 7.903 5.382 -8.462 1.00 32.13 H new ATOM 0 HZ3 LYS A 19 9.250 6.171 -7.794 1.00 32.13 H new ATOM 310 N LEU A 20 6.070 3.263 -3.655 1.00 13.33 N ATOM 311 CA LEU A 20 5.886 2.268 -2.591 1.00 12.43 C ATOM 312 C LEU A 20 4.675 1.362 -2.881 1.00 32.23 C ATOM 313 O LEU A 20 4.782 0.133 -2.867 1.00 2.24 O ATOM 314 CB LEU A 20 5.727 3.011 -1.246 1.00 54.14 C ATOM 315 CG LEU A 20 5.623 2.146 0.029 1.00 52.21 C ATOM 316 CD1 LEU A 20 6.088 2.939 1.251 1.00 50.41 C ATOM 317 CD2 LEU A 20 4.193 1.648 0.249 1.00 42.11 C ATOM 0 H LEU A 20 6.088 4.227 -3.321 1.00 13.33 H new ATOM 0 HA LEU A 20 6.759 1.617 -2.543 1.00 12.43 H new ATOM 0 HB2 LEU A 20 6.576 3.684 -1.129 1.00 54.14 H new ATOM 0 HB3 LEU A 20 4.834 3.632 -1.307 1.00 54.14 H new ATOM 0 HG LEU A 20 6.271 1.280 -0.106 1.00 52.21 H new ATOM 0 HD11 LEU A 20 6.008 2.315 2.141 1.00 50.41 H new ATOM 0 HD12 LEU A 20 7.125 3.244 1.113 1.00 50.41 H new ATOM 0 HD13 LEU A 20 5.462 3.823 1.371 1.00 50.41 H new ATOM 0 HD21 LEU A 20 4.154 1.042 1.154 1.00 42.11 H new ATOM 0 HD22 LEU A 20 3.523 2.501 0.354 1.00 42.11 H new ATOM 0 HD23 LEU A 20 3.882 1.045 -0.604 1.00 42.11 H new ATOM 329 N LEU A 21 3.526 1.983 -3.154 1.00 14.00 N ATOM 330 CA LEU A 21 2.301 1.243 -3.472 1.00 22.54 C ATOM 331 C LEU A 21 2.467 0.407 -4.754 1.00 52.52 C ATOM 332 O LEU A 21 2.035 -0.745 -4.816 1.00 34.33 O ATOM 333 CB LEU A 21 1.121 2.216 -3.623 1.00 53.33 C ATOM 334 CG LEU A 21 -0.252 1.560 -3.861 1.00 32.34 C ATOM 335 CD1 LEU A 21 -0.631 0.652 -2.692 1.00 64.24 C ATOM 336 CD2 LEU A 21 -1.324 2.628 -4.088 1.00 34.54 C ATOM 0 H LEU A 21 3.417 2.997 -3.162 1.00 14.00 H new ATOM 0 HA LEU A 21 2.099 0.558 -2.649 1.00 22.54 H new ATOM 0 HB2 LEU A 21 1.061 2.829 -2.724 1.00 53.33 H new ATOM 0 HB3 LEU A 21 1.332 2.889 -4.454 1.00 53.33 H new ATOM 0 HG LEU A 21 -0.186 0.944 -4.758 1.00 32.34 H new ATOM 0 HD11 LEU A 21 -1.604 0.200 -2.883 1.00 64.24 H new ATOM 0 HD12 LEU A 21 0.118 -0.132 -2.583 1.00 64.24 H new ATOM 0 HD13 LEU A 21 -0.677 1.240 -1.775 1.00 64.24 H new ATOM 0 HD21 LEU A 21 -2.288 2.147 -4.255 1.00 34.54 H new ATOM 0 HD22 LEU A 21 -1.387 3.272 -3.211 1.00 34.54 H new ATOM 0 HD23 LEU A 21 -1.062 3.227 -4.960 1.00 34.54 H new ATOM 348 N THR A 22 3.110 0.994 -5.767 1.00 40.11 N ATOM 349 CA THR A 22 3.368 0.304 -7.042 1.00 75.22 C ATOM 350 C THR A 22 4.021 -1.068 -6.823 1.00 3.21 C ATOM 351 O THR A 22 3.508 -2.095 -7.278 1.00 62.21 O ATOM 352 CB THR A 22 4.288 1.141 -7.972 1.00 52.12 C ATOM 353 OG1 THR A 22 3.711 2.432 -8.233 1.00 75.31 O ATOM 354 CG2 THR A 22 4.534 0.425 -9.297 1.00 50.31 C ATOM 0 H THR A 22 3.464 1.950 -5.732 1.00 40.11 H new ATOM 0 HA THR A 22 2.395 0.173 -7.515 1.00 75.22 H new ATOM 0 HB THR A 22 5.240 1.267 -7.456 1.00 52.12 H new ATOM 0 HG1 THR A 22 3.765 2.984 -7.425 1.00 75.31 H new ATOM 0 HG21 THR A 22 5.181 1.036 -9.926 1.00 50.31 H new ATOM 0 HG22 THR A 22 5.013 -0.536 -9.108 1.00 50.31 H new ATOM 0 HG23 THR A 22 3.583 0.262 -9.805 1.00 50.31 H new ATOM 362 N GLU A 23 5.144 -1.080 -6.104 1.00 3.03 N ATOM 363 CA GLU A 23 5.891 -2.318 -5.856 1.00 32.30 C ATOM 364 C GLU A 23 5.064 -3.339 -5.057 1.00 4.13 C ATOM 365 O GLU A 23 5.126 -4.543 -5.328 1.00 44.41 O ATOM 366 CB GLU A 23 7.212 -2.014 -5.133 1.00 43.33 C ATOM 367 CG GLU A 23 8.192 -1.209 -5.982 1.00 25.43 C ATOM 368 CD GLU A 23 9.561 -1.060 -5.333 1.00 72.13 C ATOM 369 OE1 GLU A 23 10.346 -2.035 -5.361 1.00 1.10 O ATOM 370 OE2 GLU A 23 9.866 0.031 -4.808 1.00 22.14 O ATOM 0 H GLU A 23 5.558 -0.248 -5.683 1.00 3.03 H new ATOM 0 HA GLU A 23 6.112 -2.764 -6.826 1.00 32.30 H new ATOM 0 HB2 GLU A 23 6.999 -1.464 -4.217 1.00 43.33 H new ATOM 0 HB3 GLU A 23 7.682 -2.953 -4.839 1.00 43.33 H new ATOM 0 HG2 GLU A 23 8.307 -1.694 -6.952 1.00 25.43 H new ATOM 0 HG3 GLU A 23 7.775 -0.219 -6.168 1.00 25.43 H new ATOM 377 N LEU A 24 4.293 -2.869 -4.076 1.00 10.02 N ATOM 378 CA LEU A 24 3.412 -3.760 -3.304 1.00 5.32 C ATOM 379 C LEU A 24 2.357 -4.429 -4.202 1.00 45.44 C ATOM 380 O LEU A 24 2.110 -5.633 -4.098 1.00 62.53 O ATOM 381 CB LEU A 24 2.720 -2.993 -2.169 1.00 21.52 C ATOM 382 CG LEU A 24 3.648 -2.498 -1.049 1.00 13.51 C ATOM 383 CD1 LEU A 24 2.856 -1.741 0.012 1.00 4.45 C ATOM 384 CD2 LEU A 24 4.415 -3.665 -0.424 1.00 10.12 C ATOM 0 H LEU A 24 4.257 -1.889 -3.796 1.00 10.02 H new ATOM 0 HA LEU A 24 4.039 -4.541 -2.874 1.00 5.32 H new ATOM 0 HB2 LEU A 24 2.203 -2.134 -2.596 1.00 21.52 H new ATOM 0 HB3 LEU A 24 1.958 -3.637 -1.729 1.00 21.52 H new ATOM 0 HG LEU A 24 4.373 -1.812 -1.486 1.00 13.51 H new ATOM 0 HD11 LEU A 24 3.532 -1.399 0.796 1.00 4.45 H new ATOM 0 HD12 LEU A 24 2.366 -0.881 -0.445 1.00 4.45 H new ATOM 0 HD13 LEU A 24 2.104 -2.401 0.444 1.00 4.45 H new ATOM 0 HD21 LEU A 24 5.066 -3.291 0.366 1.00 10.12 H new ATOM 0 HD22 LEU A 24 3.709 -4.381 -0.004 1.00 10.12 H new ATOM 0 HD23 LEU A 24 5.018 -4.155 -1.188 1.00 10.12 H new ATOM 396 N VAL A 25 1.741 -3.647 -5.083 1.00 74.44 N ATOM 397 CA VAL A 25 0.749 -4.174 -6.026 1.00 3.22 C ATOM 398 C VAL A 25 1.368 -5.203 -6.992 1.00 2.00 C ATOM 399 O VAL A 25 0.799 -6.271 -7.222 1.00 52.35 O ATOM 400 CB VAL A 25 0.093 -3.033 -6.853 1.00 72.04 C ATOM 401 CG1 VAL A 25 -0.905 -3.595 -7.868 1.00 63.52 C ATOM 402 CG2 VAL A 25 -0.582 -2.022 -5.929 1.00 13.34 C ATOM 0 H VAL A 25 1.909 -2.644 -5.167 1.00 74.44 H new ATOM 0 HA VAL A 25 -0.014 -4.669 -5.426 1.00 3.22 H new ATOM 0 HB VAL A 25 0.879 -2.520 -7.407 1.00 72.04 H new ATOM 0 HG11 VAL A 25 -1.349 -2.776 -8.433 1.00 63.52 H new ATOM 0 HG12 VAL A 25 -0.388 -4.269 -8.551 1.00 63.52 H new ATOM 0 HG13 VAL A 25 -1.689 -4.141 -7.343 1.00 63.52 H new ATOM 0 HG21 VAL A 25 -1.036 -1.230 -6.525 1.00 13.34 H new ATOM 0 HG22 VAL A 25 -1.353 -2.523 -5.343 1.00 13.34 H new ATOM 0 HG23 VAL A 25 0.160 -1.590 -5.258 1.00 13.34 H new ATOM 412 N GLU A 26 2.540 -4.885 -7.540 1.00 64.12 N ATOM 413 CA GLU A 26 3.196 -5.758 -8.527 1.00 70.11 C ATOM 414 C GLU A 26 3.904 -6.967 -7.879 1.00 55.12 C ATOM 415 O GLU A 26 4.371 -7.862 -8.579 1.00 14.42 O ATOM 416 CB GLU A 26 4.188 -4.952 -9.376 1.00 63.31 C ATOM 417 CG GLU A 26 3.539 -3.809 -10.154 1.00 43.24 C ATOM 418 CD GLU A 26 4.497 -3.128 -11.122 1.00 12.43 C ATOM 419 OE1 GLU A 26 5.493 -2.534 -10.664 1.00 51.12 O ATOM 420 OE2 GLU A 26 4.256 -3.179 -12.348 1.00 43.10 O ATOM 0 H GLU A 26 3.058 -4.034 -7.322 1.00 64.12 H new ATOM 0 HA GLU A 26 2.410 -6.158 -9.167 1.00 70.11 H new ATOM 0 HB2 GLU A 26 4.962 -4.544 -8.726 1.00 63.31 H new ATOM 0 HB3 GLU A 26 4.682 -5.624 -10.078 1.00 63.31 H new ATOM 0 HG2 GLU A 26 2.684 -4.194 -10.709 1.00 43.24 H new ATOM 0 HG3 GLU A 26 3.156 -3.070 -9.451 1.00 43.24 H new ATOM 427 N HIS A 27 4.007 -6.987 -6.547 1.00 3.11 N ATOM 428 CA HIS A 27 4.594 -8.143 -5.834 1.00 25.02 C ATOM 429 C HIS A 27 3.544 -8.933 -5.025 1.00 72.02 C ATOM 430 O HIS A 27 3.736 -10.117 -4.737 1.00 74.04 O ATOM 431 CB HIS A 27 5.742 -7.687 -4.918 1.00 32.02 C ATOM 432 CG HIS A 27 6.998 -7.335 -5.661 1.00 45.13 C ATOM 433 ND1 HIS A 27 7.260 -6.073 -6.152 1.00 50.21 N ATOM 434 CD2 HIS A 27 8.074 -8.090 -5.989 1.00 63.44 C ATOM 435 CE1 HIS A 27 8.437 -6.069 -6.748 1.00 11.13 C ATOM 436 NE2 HIS A 27 8.950 -7.277 -6.664 1.00 51.54 N ATOM 0 H HIS A 27 3.698 -6.229 -5.939 1.00 3.11 H new ATOM 0 HA HIS A 27 4.988 -8.817 -6.594 1.00 25.02 H new ATOM 0 HB2 HIS A 27 5.415 -6.821 -4.343 1.00 32.02 H new ATOM 0 HB3 HIS A 27 5.962 -8.480 -4.203 1.00 32.02 H new ATOM 0 HD1 HIS A 27 6.640 -5.268 -6.067 1.00 50.21 H new ATOM 0 HD2 HIS A 27 8.216 -9.136 -5.762 1.00 63.44 H new ATOM 0 HE1 HIS A 27 8.901 -5.218 -7.224 1.00 11.13 H new ATOM 445 N TYR A 28 2.444 -8.280 -4.652 1.00 44.34 N ATOM 446 CA TYR A 28 1.368 -8.934 -3.888 1.00 5.54 C ATOM 447 C TYR A 28 0.023 -8.853 -4.624 1.00 55.04 C ATOM 448 O TYR A 28 -0.590 -9.876 -4.936 1.00 22.23 O ATOM 449 CB TYR A 28 1.222 -8.297 -2.497 1.00 45.40 C ATOM 450 CG TYR A 28 2.427 -8.491 -1.595 1.00 72.21 C ATOM 451 CD1 TYR A 28 2.783 -9.758 -1.145 1.00 15.31 C ATOM 452 CD2 TYR A 28 3.196 -7.408 -1.179 1.00 33.12 C ATOM 453 CE1 TYR A 28 3.871 -9.941 -0.313 1.00 32.32 C ATOM 454 CE2 TYR A 28 4.285 -7.585 -0.349 1.00 62.11 C ATOM 455 CZ TYR A 28 4.617 -8.852 0.083 1.00 35.32 C ATOM 456 OH TYR A 28 5.702 -9.031 0.914 1.00 74.00 O ATOM 0 H TYR A 28 2.269 -7.298 -4.864 1.00 44.34 H new ATOM 0 HA TYR A 28 1.645 -9.983 -3.781 1.00 5.54 H new ATOM 0 HB2 TYR A 28 1.039 -7.229 -2.616 1.00 45.40 H new ATOM 0 HB3 TYR A 28 0.344 -8.718 -2.007 1.00 45.40 H new ATOM 0 HD1 TYR A 28 2.199 -10.613 -1.451 1.00 15.31 H new ATOM 0 HD2 TYR A 28 2.937 -6.413 -1.511 1.00 33.12 H new ATOM 0 HE1 TYR A 28 4.135 -10.932 0.025 1.00 32.32 H new ATOM 0 HE2 TYR A 28 4.875 -6.735 -0.039 1.00 62.11 H new ATOM 0 HH TYR A 28 6.094 -9.915 0.755 1.00 74.00 H new ATOM 466 N GLY A 29 -0.430 -7.629 -4.894 1.00 5.21 N ATOM 467 CA GLY A 29 -1.727 -7.426 -5.537 1.00 31.23 C ATOM 468 C GLY A 29 -2.757 -6.815 -4.592 1.00 52.14 C ATOM 469 O GLY A 29 -2.726 -7.070 -3.385 1.00 21.03 O ATOM 0 H GLY A 29 0.077 -6.770 -4.680 1.00 5.21 H new ATOM 0 HA2 GLY A 29 -1.602 -6.776 -6.403 1.00 31.23 H new ATOM 0 HA3 GLY A 29 -2.099 -8.381 -5.907 1.00 31.23 H new ATOM 473 N TRP A 30 -3.681 -6.021 -5.141 1.00 72.51 N ATOM 474 CA TRP A 30 -4.703 -5.324 -4.339 1.00 51.53 C ATOM 475 C TRP A 30 -5.458 -6.282 -3.399 1.00 23.55 C ATOM 476 O TRP A 30 -5.785 -5.927 -2.264 1.00 73.32 O ATOM 477 CB TRP A 30 -5.699 -4.608 -5.262 1.00 1.15 C ATOM 478 CG TRP A 30 -5.058 -3.599 -6.167 1.00 13.32 C ATOM 479 CD1 TRP A 30 -4.702 -3.773 -7.472 1.00 43.02 C ATOM 480 CD2 TRP A 30 -4.697 -2.253 -5.830 1.00 13.03 C ATOM 481 NE1 TRP A 30 -4.142 -2.623 -7.967 1.00 53.02 N ATOM 482 CE2 TRP A 30 -4.127 -1.674 -6.978 1.00 41.04 C ATOM 483 CE3 TRP A 30 -4.802 -1.483 -4.667 1.00 72.35 C ATOM 484 CZ2 TRP A 30 -3.664 -0.362 -6.997 1.00 74.54 C ATOM 485 CZ3 TRP A 30 -4.341 -0.179 -4.688 1.00 2.41 C ATOM 486 CH2 TRP A 30 -3.777 0.369 -5.849 1.00 0.12 C ATOM 0 H TRP A 30 -3.746 -5.841 -6.143 1.00 72.51 H new ATOM 0 HA TRP A 30 -4.185 -4.594 -3.717 1.00 51.53 H new ATOM 0 HB2 TRP A 30 -6.218 -5.350 -5.869 1.00 1.15 H new ATOM 0 HB3 TRP A 30 -6.453 -4.110 -4.653 1.00 1.15 H new ATOM 0 HD1 TRP A 30 -4.841 -4.685 -8.034 1.00 43.02 H new ATOM 0 HE1 TRP A 30 -3.793 -2.495 -8.917 1.00 53.02 H new ATOM 0 HE3 TRP A 30 -5.235 -1.899 -3.769 1.00 72.35 H new ATOM 0 HZ2 TRP A 30 -3.230 0.064 -7.890 1.00 74.54 H new ATOM 0 HZ3 TRP A 30 -4.417 0.426 -3.797 1.00 2.41 H new ATOM 0 HH2 TRP A 30 -3.425 1.390 -5.835 1.00 0.12 H new ATOM 497 N GLU A 31 -5.725 -7.495 -3.879 1.00 14.23 N ATOM 498 CA GLU A 31 -6.407 -8.516 -3.078 1.00 62.14 C ATOM 499 C GLU A 31 -5.624 -8.824 -1.789 1.00 40.12 C ATOM 500 O GLU A 31 -6.171 -8.753 -0.685 1.00 62.40 O ATOM 501 CB GLU A 31 -6.596 -9.807 -3.896 1.00 34.14 C ATOM 502 CG GLU A 31 -7.455 -9.646 -5.156 1.00 41.23 C ATOM 503 CD GLU A 31 -6.747 -8.906 -6.285 1.00 13.20 C ATOM 504 OE1 GLU A 31 -6.022 -9.558 -7.067 1.00 30.10 O ATOM 505 OE2 GLU A 31 -6.909 -7.673 -6.398 1.00 4.43 O ATOM 0 H GLU A 31 -5.479 -7.798 -4.822 1.00 14.23 H new ATOM 0 HA GLU A 31 -7.385 -8.123 -2.802 1.00 62.14 H new ATOM 0 HB2 GLU A 31 -5.615 -10.184 -4.187 1.00 34.14 H new ATOM 0 HB3 GLU A 31 -7.051 -10.563 -3.256 1.00 34.14 H new ATOM 0 HG2 GLU A 31 -7.754 -10.632 -5.510 1.00 41.23 H new ATOM 0 HG3 GLU A 31 -8.368 -9.110 -4.897 1.00 41.23 H new ATOM 512 N GLU A 32 -4.336 -9.143 -1.932 1.00 3.40 N ATOM 513 CA GLU A 32 -3.474 -9.427 -0.778 1.00 2.01 C ATOM 514 C GLU A 32 -3.311 -8.185 0.109 1.00 33.23 C ATOM 515 O GLU A 32 -3.234 -8.285 1.336 1.00 21.12 O ATOM 516 CB GLU A 32 -2.098 -9.927 -1.241 1.00 53.30 C ATOM 517 CG GLU A 32 -2.151 -11.217 -2.055 1.00 22.23 C ATOM 518 CD GLU A 32 -2.817 -12.363 -1.306 1.00 23.51 C ATOM 519 OE1 GLU A 32 -2.128 -13.058 -0.529 1.00 52.22 O ATOM 520 OE2 GLU A 32 -4.037 -12.571 -1.487 1.00 1.43 O ATOM 0 H GLU A 32 -3.865 -9.212 -2.834 1.00 3.40 H new ATOM 0 HA GLU A 32 -3.954 -10.209 -0.189 1.00 2.01 H new ATOM 0 HB2 GLU A 32 -1.623 -9.150 -1.840 1.00 53.30 H new ATOM 0 HB3 GLU A 32 -1.467 -10.086 -0.367 1.00 53.30 H new ATOM 0 HG2 GLU A 32 -2.692 -11.033 -2.983 1.00 22.23 H new ATOM 0 HG3 GLU A 32 -1.137 -11.509 -2.330 1.00 22.23 H new ATOM 527 N LEU A 33 -3.267 -7.012 -0.518 1.00 53.43 N ATOM 528 CA LEU A 33 -3.192 -5.750 0.220 1.00 11.21 C ATOM 529 C LEU A 33 -4.456 -5.538 1.073 1.00 23.21 C ATOM 530 O LEU A 33 -4.386 -4.987 2.168 1.00 75.14 O ATOM 531 CB LEU A 33 -2.988 -4.570 -0.743 1.00 70.22 C ATOM 532 CG LEU A 33 -1.705 -4.621 -1.588 1.00 72.32 C ATOM 533 CD1 LEU A 33 -1.626 -3.416 -2.522 1.00 50.15 C ATOM 534 CD2 LEU A 33 -0.472 -4.695 -0.691 1.00 14.15 C ATOM 0 H LEU A 33 -3.282 -6.907 -1.532 1.00 53.43 H new ATOM 0 HA LEU A 33 -2.333 -5.800 0.890 1.00 11.21 H new ATOM 0 HB2 LEU A 33 -3.844 -4.520 -1.416 1.00 70.22 H new ATOM 0 HB3 LEU A 33 -2.984 -3.647 -0.163 1.00 70.22 H new ATOM 0 HG LEU A 33 -1.734 -5.522 -2.200 1.00 72.32 H new ATOM 0 HD11 LEU A 33 -0.710 -3.472 -3.111 1.00 50.15 H new ATOM 0 HD12 LEU A 33 -2.488 -3.416 -3.190 1.00 50.15 H new ATOM 0 HD13 LEU A 33 -1.623 -2.499 -1.933 1.00 50.15 H new ATOM 0 HD21 LEU A 33 0.426 -4.730 -1.308 1.00 14.15 H new ATOM 0 HD22 LEU A 33 -0.436 -3.815 -0.049 1.00 14.15 H new ATOM 0 HD23 LEU A 33 -0.524 -5.592 -0.075 1.00 14.15 H new ATOM 546 N SER A 34 -5.604 -6.002 0.566 1.00 1.51 N ATOM 547 CA SER A 34 -6.876 -5.950 1.317 1.00 2.52 C ATOM 548 C SER A 34 -6.852 -6.895 2.526 1.00 10.14 C ATOM 549 O SER A 34 -7.569 -6.691 3.506 1.00 44.11 O ATOM 550 CB SER A 34 -8.059 -6.322 0.408 1.00 5.24 C ATOM 551 OG SER A 34 -8.196 -5.415 -0.673 1.00 54.52 O ATOM 0 H SER A 34 -5.684 -6.419 -0.361 1.00 1.51 H new ATOM 0 HA SER A 34 -6.998 -4.927 1.674 1.00 2.52 H new ATOM 0 HB2 SER A 34 -7.917 -7.331 0.021 1.00 5.24 H new ATOM 0 HB3 SER A 34 -8.978 -6.332 0.993 1.00 5.24 H new ATOM 0 HG SER A 34 -7.428 -5.505 -1.275 1.00 54.52 H new ATOM 557 N TYR A 35 -6.035 -7.942 2.440 1.00 63.24 N ATOM 558 CA TYR A 35 -5.894 -8.920 3.525 1.00 53.53 C ATOM 559 C TYR A 35 -4.945 -8.411 4.625 1.00 22.40 C ATOM 560 O TYR A 35 -5.248 -8.502 5.816 1.00 50.31 O ATOM 561 CB TYR A 35 -5.389 -10.255 2.956 1.00 32.24 C ATOM 562 CG TYR A 35 -5.133 -11.327 4.003 1.00 22.14 C ATOM 563 CD1 TYR A 35 -6.171 -11.825 4.786 1.00 41.42 C ATOM 564 CD2 TYR A 35 -3.855 -11.842 4.207 1.00 40.13 C ATOM 565 CE1 TYR A 35 -5.941 -12.797 5.740 1.00 43.11 C ATOM 566 CE2 TYR A 35 -3.620 -12.815 5.158 1.00 61.42 C ATOM 567 CZ TYR A 35 -4.666 -13.291 5.921 1.00 32.33 C ATOM 568 OH TYR A 35 -4.431 -14.261 6.868 1.00 70.31 O ATOM 0 H TYR A 35 -5.455 -8.139 1.625 1.00 63.24 H new ATOM 0 HA TYR A 35 -6.873 -9.068 3.981 1.00 53.53 H new ATOM 0 HB2 TYR A 35 -6.120 -10.631 2.240 1.00 32.24 H new ATOM 0 HB3 TYR A 35 -4.466 -10.075 2.405 1.00 32.24 H new ATOM 0 HD1 TYR A 35 -7.172 -11.445 4.645 1.00 41.42 H new ATOM 0 HD2 TYR A 35 -3.033 -11.474 3.611 1.00 40.13 H new ATOM 0 HE1 TYR A 35 -6.757 -13.169 6.342 1.00 43.11 H new ATOM 0 HE2 TYR A 35 -2.622 -13.202 5.304 1.00 61.42 H new ATOM 0 HH TYR A 35 -3.480 -14.498 6.865 1.00 70.31 H new ATOM 578 N MET A 36 -3.792 -7.881 4.219 1.00 64.12 N ATOM 579 CA MET A 36 -2.814 -7.334 5.170 1.00 24.34 C ATOM 580 C MET A 36 -3.282 -5.979 5.739 1.00 32.51 C ATOM 581 O MET A 36 -3.062 -5.672 6.912 1.00 30.53 O ATOM 582 CB MET A 36 -1.439 -7.198 4.496 1.00 32.41 C ATOM 583 CG MET A 36 -0.818 -8.537 4.112 1.00 63.52 C ATOM 584 SD MET A 36 0.774 -8.366 3.276 1.00 23.23 S ATOM 585 CE MET A 36 0.279 -7.539 1.765 1.00 22.54 C ATOM 0 H MET A 36 -3.509 -7.817 3.241 1.00 64.12 H new ATOM 0 HA MET A 36 -2.727 -8.028 6.006 1.00 24.34 H new ATOM 0 HB2 MET A 36 -1.540 -6.583 3.602 1.00 32.41 H new ATOM 0 HB3 MET A 36 -0.763 -6.672 5.170 1.00 32.41 H new ATOM 0 HG2 MET A 36 -0.687 -9.141 5.010 1.00 63.52 H new ATOM 0 HG3 MET A 36 -1.507 -9.077 3.462 1.00 63.52 H new ATOM 0 HE1 MET A 36 1.015 -7.735 0.985 1.00 22.54 H new ATOM 0 HE2 MET A 36 -0.695 -7.913 1.448 1.00 22.54 H new ATOM 0 HE3 MET A 36 0.216 -6.465 1.942 1.00 22.54 H new ATOM 595 N VAL A 37 -3.927 -5.176 4.894 1.00 54.33 N ATOM 596 CA VAL A 37 -4.552 -3.919 5.328 1.00 51.24 C ATOM 597 C VAL A 37 -6.073 -4.007 5.160 1.00 61.03 C ATOM 598 O VAL A 37 -6.590 -3.889 4.050 1.00 72.40 O ATOM 599 CB VAL A 37 -4.031 -2.704 4.520 1.00 33.40 C ATOM 600 CG1 VAL A 37 -4.573 -1.390 5.092 1.00 34.34 C ATOM 601 CG2 VAL A 37 -2.510 -2.690 4.473 1.00 33.15 C ATOM 0 H VAL A 37 -4.033 -5.372 3.899 1.00 54.33 H new ATOM 0 HA VAL A 37 -4.291 -3.773 6.376 1.00 51.24 H new ATOM 0 HB VAL A 37 -4.397 -2.802 3.498 1.00 33.40 H new ATOM 0 HG11 VAL A 37 -4.192 -0.554 4.506 1.00 34.34 H new ATOM 0 HG12 VAL A 37 -5.662 -1.396 5.049 1.00 34.34 H new ATOM 0 HG13 VAL A 37 -4.251 -1.284 6.128 1.00 34.34 H new ATOM 0 HG21 VAL A 37 -2.172 -1.827 3.900 1.00 33.15 H new ATOM 0 HG22 VAL A 37 -2.115 -2.629 5.487 1.00 33.15 H new ATOM 0 HG23 VAL A 37 -2.152 -3.604 3.998 1.00 33.15 H new ATOM 611 N ASN A 38 -6.787 -4.216 6.262 1.00 35.33 N ATOM 612 CA ASN A 38 -8.237 -4.428 6.206 1.00 22.24 C ATOM 613 C ASN A 38 -9.009 -3.122 5.938 1.00 51.25 C ATOM 614 O ASN A 38 -9.682 -2.588 6.822 1.00 5.12 O ATOM 615 CB ASN A 38 -8.728 -5.084 7.500 1.00 3.21 C ATOM 616 CG ASN A 38 -8.064 -6.426 7.748 1.00 64.40 C ATOM 617 OD1 ASN A 38 -7.013 -6.508 8.372 1.00 54.24 O ATOM 618 ND2 ASN A 38 -8.678 -7.491 7.275 1.00 43.21 N ATOM 0 H ASN A 38 -6.392 -4.244 7.202 1.00 35.33 H new ATOM 0 HA ASN A 38 -8.435 -5.095 5.367 1.00 22.24 H new ATOM 0 HB2 ASN A 38 -8.528 -4.420 8.341 1.00 3.21 H new ATOM 0 HB3 ASN A 38 -9.809 -5.218 7.450 1.00 3.21 H new ATOM 0 HD21 ASN A 38 -8.279 -8.418 7.424 1.00 43.21 H new ATOM 0 HD22 ASN A 38 -9.552 -7.389 6.759 1.00 43.21 H new ATOM 625 N ILE A 39 -8.897 -2.605 4.715 1.00 20.45 N ATOM 626 CA ILE A 39 -9.698 -1.457 4.272 1.00 15.41 C ATOM 627 C ILE A 39 -10.382 -1.770 2.932 1.00 21.05 C ATOM 628 O ILE A 39 -9.770 -2.330 2.021 1.00 14.12 O ATOM 629 CB ILE A 39 -8.858 -0.155 4.141 1.00 20.42 C ATOM 630 CG1 ILE A 39 -7.735 -0.322 3.105 1.00 34.42 C ATOM 631 CG2 ILE A 39 -8.283 0.255 5.497 1.00 74.32 C ATOM 632 CD1 ILE A 39 -6.897 0.926 2.898 1.00 53.34 C ATOM 0 H ILE A 39 -8.256 -2.963 4.007 1.00 20.45 H new ATOM 0 HA ILE A 39 -10.451 -1.283 5.041 1.00 15.41 H new ATOM 0 HB ILE A 39 -9.521 0.638 3.794 1.00 20.42 H new ATOM 0 HG12 ILE A 39 -7.083 -1.137 3.419 1.00 34.42 H new ATOM 0 HG13 ILE A 39 -8.175 -0.615 2.151 1.00 34.42 H new ATOM 0 HG21 ILE A 39 -7.699 1.168 5.383 1.00 74.32 H new ATOM 0 HG22 ILE A 39 -9.098 0.431 6.200 1.00 74.32 H new ATOM 0 HG23 ILE A 39 -7.642 -0.541 5.876 1.00 74.32 H new ATOM 0 HD11 ILE A 39 -6.127 0.728 2.153 1.00 53.34 H new ATOM 0 HD12 ILE A 39 -7.535 1.740 2.553 1.00 53.34 H new ATOM 0 HD13 ILE A 39 -6.427 1.209 3.840 1.00 53.34 H new ATOM 644 N ASN A 40 -11.652 -1.409 2.822 1.00 32.12 N ATOM 645 CA ASN A 40 -12.460 -1.755 1.648 1.00 52.01 C ATOM 646 C ASN A 40 -11.997 -1.014 0.376 1.00 35.43 C ATOM 647 O ASN A 40 -12.299 -1.436 -0.737 1.00 33.10 O ATOM 648 CB ASN A 40 -13.934 -1.445 1.942 1.00 24.22 C ATOM 649 CG ASN A 40 -14.871 -1.894 0.838 1.00 43.34 C ATOM 650 OD1 ASN A 40 -14.609 -2.868 0.140 1.00 3.12 O ATOM 651 ND2 ASN A 40 -15.974 -1.193 0.680 1.00 20.21 N ATOM 0 H ASN A 40 -12.153 -0.874 3.532 1.00 32.12 H new ATOM 0 HA ASN A 40 -12.333 -2.820 1.453 1.00 52.01 H new ATOM 0 HB2 ASN A 40 -14.222 -1.931 2.874 1.00 24.22 H new ATOM 0 HB3 ASN A 40 -14.050 -0.372 2.094 1.00 24.22 H new ATOM 0 HD21 ASN A 40 -16.645 -1.454 -0.042 1.00 20.21 H new ATOM 0 HD22 ASN A 40 -16.158 -0.389 1.280 1.00 20.21 H new ATOM 658 N CYS A 41 -11.249 0.075 0.547 1.00 63.44 N ATOM 659 CA CYS A 41 -10.828 0.925 -0.585 1.00 41.22 C ATOM 660 C CYS A 41 -10.029 0.163 -1.659 1.00 1.31 C ATOM 661 O CYS A 41 -10.031 0.553 -2.825 1.00 2.32 O ATOM 662 CB CYS A 41 -9.998 2.109 -0.090 1.00 0.12 C ATOM 663 SG CYS A 41 -9.479 3.239 -1.406 1.00 13.53 S ATOM 0 H CYS A 41 -10.918 0.397 1.456 1.00 63.44 H new ATOM 0 HA CYS A 41 -11.749 1.275 -1.051 1.00 41.22 H new ATOM 0 HB2 CYS A 41 -10.579 2.665 0.646 1.00 0.12 H new ATOM 0 HB3 CYS A 41 -9.113 1.731 0.422 1.00 0.12 H new ATOM 0 HG CYS A 41 -9.485 2.611 -2.544 1.00 13.53 H new ATOM 669 N PHE A 42 -9.335 -0.906 -1.273 1.00 3.41 N ATOM 670 CA PHE A 42 -8.583 -1.713 -2.250 1.00 13.30 C ATOM 671 C PHE A 42 -9.521 -2.593 -3.090 1.00 31.11 C ATOM 672 O PHE A 42 -9.210 -2.941 -4.226 1.00 70.10 O ATOM 673 CB PHE A 42 -7.540 -2.597 -1.554 1.00 4.53 C ATOM 674 CG PHE A 42 -6.449 -1.839 -0.839 1.00 22.32 C ATOM 675 CD1 PHE A 42 -5.941 -0.658 -1.362 1.00 73.21 C ATOM 676 CD2 PHE A 42 -5.929 -2.318 0.353 1.00 74.42 C ATOM 677 CE1 PHE A 42 -4.936 0.029 -0.708 1.00 41.22 C ATOM 678 CE2 PHE A 42 -4.922 -1.634 1.008 1.00 11.30 C ATOM 679 CZ PHE A 42 -4.426 -0.461 0.479 1.00 44.02 C ATOM 0 H PHE A 42 -9.273 -1.235 -0.309 1.00 3.41 H new ATOM 0 HA PHE A 42 -8.071 -1.015 -2.912 1.00 13.30 H new ATOM 0 HB2 PHE A 42 -8.049 -3.239 -0.835 1.00 4.53 H new ATOM 0 HB3 PHE A 42 -7.083 -3.250 -2.297 1.00 4.53 H new ATOM 0 HD1 PHE A 42 -6.335 -0.272 -2.290 1.00 73.21 H new ATOM 0 HD2 PHE A 42 -6.314 -3.235 0.774 1.00 74.42 H new ATOM 0 HE1 PHE A 42 -4.550 0.948 -1.124 1.00 41.22 H new ATOM 0 HE2 PHE A 42 -4.523 -2.019 1.935 1.00 11.30 H new ATOM 0 HZ PHE A 42 -3.640 0.074 0.992 1.00 44.02 H new ATOM 689 N LYS A 43 -10.664 -2.959 -2.514 1.00 41.54 N ATOM 690 CA LYS A 43 -11.676 -3.754 -3.217 1.00 5.43 C ATOM 691 C LYS A 43 -12.649 -2.849 -3.986 1.00 41.23 C ATOM 692 O LYS A 43 -13.142 -3.207 -5.059 1.00 4.21 O ATOM 693 CB LYS A 43 -12.450 -4.626 -2.216 1.00 63.44 C ATOM 694 CG LYS A 43 -11.580 -5.657 -1.498 1.00 24.43 C ATOM 695 CD LYS A 43 -12.371 -6.472 -0.472 1.00 31.35 C ATOM 696 CE LYS A 43 -13.518 -7.248 -1.115 1.00 51.24 C ATOM 697 NZ LYS A 43 -13.040 -8.190 -2.163 1.00 11.42 N ATOM 0 H LYS A 43 -10.916 -2.717 -1.556 1.00 41.54 H new ATOM 0 HA LYS A 43 -11.166 -4.397 -3.935 1.00 5.43 H new ATOM 0 HB2 LYS A 43 -12.921 -3.981 -1.474 1.00 63.44 H new ATOM 0 HB3 LYS A 43 -13.252 -5.144 -2.743 1.00 63.44 H new ATOM 0 HG2 LYS A 43 -11.139 -6.331 -2.232 1.00 24.43 H new ATOM 0 HG3 LYS A 43 -10.756 -5.148 -0.997 1.00 24.43 H new ATOM 0 HD2 LYS A 43 -11.701 -7.168 0.032 1.00 31.35 H new ATOM 0 HD3 LYS A 43 -12.769 -5.804 0.292 1.00 31.35 H new ATOM 0 HE2 LYS A 43 -14.054 -7.804 -0.346 1.00 51.24 H new ATOM 0 HE3 LYS A 43 -14.227 -6.547 -1.555 1.00 51.24 H new ATOM 0 HZ1 LYS A 43 -13.825 -8.802 -2.464 1.00 11.42 H new ATOM 0 HZ2 LYS A 43 -12.688 -7.651 -2.980 1.00 11.42 H new ATOM 0 HZ3 LYS A 43 -12.272 -8.777 -1.778 1.00 11.42 H new ATOM 711 N LYS A 44 -12.916 -1.675 -3.422 1.00 54.24 N ATOM 712 CA LYS A 44 -13.816 -0.693 -4.032 1.00 44.25 C ATOM 713 C LYS A 44 -13.059 0.217 -5.013 1.00 1.31 C ATOM 714 O LYS A 44 -12.499 1.243 -4.620 1.00 65.12 O ATOM 715 CB LYS A 44 -14.496 0.140 -2.934 1.00 31.41 C ATOM 716 CG LYS A 44 -15.457 1.204 -3.458 1.00 42.14 C ATOM 717 CD LYS A 44 -16.162 1.941 -2.321 1.00 24.21 C ATOM 718 CE LYS A 44 -15.178 2.636 -1.383 1.00 25.44 C ATOM 719 NZ LYS A 44 -15.880 3.398 -0.317 1.00 45.54 N ATOM 0 H LYS A 44 -12.518 -1.375 -2.532 1.00 54.24 H new ATOM 0 HA LYS A 44 -14.580 -1.226 -4.598 1.00 44.25 H new ATOM 0 HB2 LYS A 44 -15.042 -0.531 -2.271 1.00 31.41 H new ATOM 0 HB3 LYS A 44 -13.727 0.626 -2.334 1.00 31.41 H new ATOM 0 HG2 LYS A 44 -14.908 1.920 -4.070 1.00 42.14 H new ATOM 0 HG3 LYS A 44 -16.200 0.736 -4.104 1.00 42.14 H new ATOM 0 HD2 LYS A 44 -16.846 2.680 -2.739 1.00 24.21 H new ATOM 0 HD3 LYS A 44 -16.766 1.234 -1.752 1.00 24.21 H new ATOM 0 HE2 LYS A 44 -14.522 1.893 -0.928 1.00 25.44 H new ATOM 0 HE3 LYS A 44 -14.544 3.312 -1.957 1.00 25.44 H new ATOM 0 HZ1 LYS A 44 -15.180 3.856 0.301 1.00 45.54 H new ATOM 0 HZ2 LYS A 44 -16.487 4.123 -0.751 1.00 45.54 H new ATOM 0 HZ3 LYS A 44 -16.465 2.748 0.246 1.00 45.54 H new ATOM 733 N ASP A 45 -13.056 -0.177 -6.288 1.00 51.43 N ATOM 734 CA ASP A 45 -12.300 0.515 -7.340 1.00 24.12 C ATOM 735 C ASP A 45 -10.799 0.624 -6.988 1.00 50.23 C ATOM 736 O ASP A 45 -10.347 1.631 -6.438 1.00 24.45 O ATOM 737 CB ASP A 45 -12.897 1.899 -7.626 1.00 12.32 C ATOM 738 CG ASP A 45 -12.266 2.553 -8.843 1.00 51.25 C ATOM 739 OD1 ASP A 45 -12.507 2.076 -9.972 1.00 5.11 O ATOM 740 OD2 ASP A 45 -11.524 3.540 -8.684 1.00 51.14 O ATOM 0 H ASP A 45 -13.578 -0.987 -6.623 1.00 51.43 H new ATOM 0 HA ASP A 45 -12.381 -0.085 -8.246 1.00 24.12 H new ATOM 0 HB2 ASP A 45 -13.972 1.805 -7.782 1.00 12.32 H new ATOM 0 HB3 ASP A 45 -12.756 2.541 -6.756 1.00 12.32 H new ATOM 745 N PRO A 46 -10.007 -0.423 -7.315 1.00 2.31 N ATOM 746 CA PRO A 46 -8.564 -0.487 -6.995 1.00 14.42 C ATOM 747 C PRO A 46 -7.686 0.437 -7.868 1.00 72.32 C ATOM 748 O PRO A 46 -6.553 0.092 -8.205 1.00 42.33 O ATOM 749 CB PRO A 46 -8.205 -1.970 -7.259 1.00 63.05 C ATOM 750 CG PRO A 46 -9.507 -2.676 -7.475 1.00 75.41 C ATOM 751 CD PRO A 46 -10.453 -1.639 -8.007 1.00 62.13 C ATOM 0 HA PRO A 46 -8.376 -0.148 -5.976 1.00 14.42 H new ATOM 0 HB2 PRO A 46 -7.559 -2.066 -8.132 1.00 63.05 H new ATOM 0 HB3 PRO A 46 -7.665 -2.397 -6.414 1.00 63.05 H new ATOM 0 HG2 PRO A 46 -9.393 -3.499 -8.180 1.00 75.41 H new ATOM 0 HG3 PRO A 46 -9.879 -3.103 -6.544 1.00 75.41 H new ATOM 0 HD2 PRO A 46 -10.381 -1.540 -9.090 1.00 62.13 H new ATOM 0 HD3 PRO A 46 -11.491 -1.880 -7.778 1.00 62.13 H new ATOM 759 N SER A 47 -8.192 1.618 -8.210 1.00 63.22 N ATOM 760 CA SER A 47 -7.418 2.587 -9.001 1.00 23.12 C ATOM 761 C SER A 47 -6.389 3.313 -8.119 1.00 71.24 C ATOM 762 O SER A 47 -6.630 3.536 -6.931 1.00 70.32 O ATOM 763 CB SER A 47 -8.353 3.614 -9.654 1.00 60.44 C ATOM 764 OG SER A 47 -9.326 2.981 -10.475 1.00 73.52 O ATOM 0 H SER A 47 -9.129 1.932 -7.957 1.00 63.22 H new ATOM 0 HA SER A 47 -6.888 2.039 -9.780 1.00 23.12 H new ATOM 0 HB2 SER A 47 -8.852 4.198 -8.880 1.00 60.44 H new ATOM 0 HB3 SER A 47 -7.768 4.312 -10.253 1.00 60.44 H new ATOM 0 HG SER A 47 -10.220 3.141 -10.106 1.00 73.52 H new ATOM 770 N ILE A 48 -5.251 3.692 -8.703 1.00 51.14 N ATOM 771 CA ILE A 48 -4.171 4.353 -7.950 1.00 71.04 C ATOM 772 C ILE A 48 -4.661 5.628 -7.242 1.00 71.54 C ATOM 773 O ILE A 48 -4.518 5.772 -6.024 1.00 4.13 O ATOM 774 CB ILE A 48 -2.973 4.702 -8.875 1.00 53.12 C ATOM 775 CG1 ILE A 48 -2.392 3.426 -9.515 1.00 53.11 C ATOM 776 CG2 ILE A 48 -1.890 5.458 -8.102 1.00 45.43 C ATOM 777 CD1 ILE A 48 -1.870 2.410 -8.515 1.00 64.03 C ATOM 0 H ILE A 48 -5.049 3.555 -9.693 1.00 51.14 H new ATOM 0 HA ILE A 48 -3.842 3.643 -7.191 1.00 71.04 H new ATOM 0 HB ILE A 48 -3.337 5.351 -9.671 1.00 53.12 H new ATOM 0 HG12 ILE A 48 -3.163 2.956 -10.125 1.00 53.11 H new ATOM 0 HG13 ILE A 48 -1.581 3.707 -10.187 1.00 53.11 H new ATOM 0 HG21 ILE A 48 -1.061 5.691 -8.771 1.00 45.43 H new ATOM 0 HG22 ILE A 48 -2.306 6.383 -7.703 1.00 45.43 H new ATOM 0 HG23 ILE A 48 -1.530 4.839 -7.281 1.00 45.43 H new ATOM 0 HD11 ILE A 48 -1.479 1.543 -9.048 1.00 64.03 H new ATOM 0 HD12 ILE A 48 -1.075 2.860 -7.921 1.00 64.03 H new ATOM 0 HD13 ILE A 48 -2.681 2.097 -7.858 1.00 64.03 H new ATOM 789 N LYS A 49 -5.256 6.546 -8.006 1.00 4.54 N ATOM 790 CA LYS A 49 -5.776 7.802 -7.450 1.00 21.30 C ATOM 791 C LYS A 49 -6.882 7.536 -6.420 1.00 30.11 C ATOM 792 O LYS A 49 -6.962 8.206 -5.390 1.00 11.41 O ATOM 793 CB LYS A 49 -6.305 8.705 -8.576 1.00 62.32 C ATOM 794 CG LYS A 49 -5.276 9.000 -9.665 1.00 13.41 C ATOM 795 CD LYS A 49 -4.055 9.742 -9.118 1.00 22.53 C ATOM 796 CE LYS A 49 -2.998 9.978 -10.194 1.00 62.21 C ATOM 797 NZ LYS A 49 -3.513 10.803 -11.321 1.00 2.40 N ATOM 0 H LYS A 49 -5.391 6.446 -9.012 1.00 4.54 H new ATOM 0 HA LYS A 49 -4.956 8.311 -6.943 1.00 21.30 H new ATOM 0 HB2 LYS A 49 -7.175 8.231 -9.030 1.00 62.32 H new ATOM 0 HB3 LYS A 49 -6.644 9.647 -8.145 1.00 62.32 H new ATOM 0 HG2 LYS A 49 -4.956 8.064 -10.123 1.00 13.41 H new ATOM 0 HG3 LYS A 49 -5.741 9.597 -10.450 1.00 13.41 H new ATOM 0 HD2 LYS A 49 -4.369 10.700 -8.703 1.00 22.53 H new ATOM 0 HD3 LYS A 49 -3.618 9.168 -8.301 1.00 22.53 H new ATOM 0 HE2 LYS A 49 -2.135 10.473 -9.749 1.00 62.21 H new ATOM 0 HE3 LYS A 49 -2.653 9.018 -10.578 1.00 62.21 H new ATOM 0 HZ1 LYS A 49 -2.728 11.050 -11.957 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -4.229 10.263 -11.848 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -3.942 11.673 -10.946 1.00 2.40 H new ATOM 811 N SER A 50 -7.726 6.540 -6.706 1.00 44.35 N ATOM 812 CA SER A 50 -8.804 6.132 -5.785 1.00 21.33 C ATOM 813 C SER A 50 -8.246 5.695 -4.425 1.00 15.21 C ATOM 814 O SER A 50 -8.728 6.127 -3.372 1.00 71.13 O ATOM 815 CB SER A 50 -9.624 4.984 -6.395 1.00 23.41 C ATOM 816 OG SER A 50 -10.611 4.506 -5.491 1.00 40.14 O ATOM 0 H SER A 50 -7.687 5.997 -7.569 1.00 44.35 H new ATOM 0 HA SER A 50 -9.447 6.998 -5.631 1.00 21.33 H new ATOM 0 HB2 SER A 50 -10.105 5.327 -7.311 1.00 23.41 H new ATOM 0 HB3 SER A 50 -8.957 4.167 -6.671 1.00 23.41 H new ATOM 0 HG SER A 50 -10.720 3.539 -5.607 1.00 40.14 H new ATOM 822 N SER A 51 -7.222 4.846 -4.457 1.00 75.45 N ATOM 823 CA SER A 51 -6.572 4.354 -3.235 1.00 22.40 C ATOM 824 C SER A 51 -5.914 5.497 -2.448 1.00 32.10 C ATOM 825 O SER A 51 -6.230 5.722 -1.276 1.00 22.44 O ATOM 826 CB SER A 51 -5.521 3.290 -3.583 1.00 74.22 C ATOM 827 OG SER A 51 -4.843 2.830 -2.427 1.00 34.04 O ATOM 0 H SER A 51 -6.819 4.480 -5.319 1.00 75.45 H new ATOM 0 HA SER A 51 -7.344 3.909 -2.606 1.00 22.40 H new ATOM 0 HB2 SER A 51 -6.004 2.449 -4.081 1.00 74.22 H new ATOM 0 HB3 SER A 51 -4.800 3.706 -4.287 1.00 74.22 H new ATOM 0 HG SER A 51 -4.182 2.153 -2.683 1.00 34.04 H new ATOM 833 N LEU A 52 -5.015 6.234 -3.105 1.00 70.34 N ATOM 834 CA LEU A 52 -4.294 7.342 -2.460 1.00 24.14 C ATOM 835 C LEU A 52 -5.261 8.377 -1.854 1.00 62.11 C ATOM 836 O LEU A 52 -5.008 8.926 -0.777 1.00 13.40 O ATOM 837 CB LEU A 52 -3.353 8.024 -3.468 1.00 62.21 C ATOM 838 CG LEU A 52 -2.288 7.110 -4.106 1.00 62.24 C ATOM 839 CD1 LEU A 52 -1.379 7.902 -5.046 1.00 52.43 C ATOM 840 CD2 LEU A 52 -1.469 6.401 -3.028 1.00 64.43 C ATOM 0 H LEU A 52 -4.767 6.086 -4.083 1.00 70.34 H new ATOM 0 HA LEU A 52 -3.705 6.921 -1.645 1.00 24.14 H new ATOM 0 HB2 LEU A 52 -3.956 8.460 -4.264 1.00 62.21 H new ATOM 0 HB3 LEU A 52 -2.846 8.847 -2.965 1.00 62.21 H new ATOM 0 HG LEU A 52 -2.803 6.352 -4.697 1.00 62.24 H new ATOM 0 HD11 LEU A 52 -0.637 7.234 -5.483 1.00 52.43 H new ATOM 0 HD12 LEU A 52 -1.977 8.349 -5.840 1.00 52.43 H new ATOM 0 HD13 LEU A 52 -0.874 8.689 -4.486 1.00 52.43 H new ATOM 0 HD21 LEU A 52 -0.723 5.761 -3.500 1.00 64.43 H new ATOM 0 HD22 LEU A 52 -0.969 7.142 -2.405 1.00 64.43 H new ATOM 0 HD23 LEU A 52 -2.130 5.793 -2.410 1.00 64.43 H new ATOM 852 N LYS A 53 -6.373 8.628 -2.549 1.00 5.31 N ATOM 853 CA LYS A 53 -7.409 9.552 -2.066 1.00 24.12 C ATOM 854 C LYS A 53 -7.912 9.143 -0.669 1.00 24.25 C ATOM 855 O LYS A 53 -8.117 9.987 0.205 1.00 11.24 O ATOM 856 CB LYS A 53 -8.590 9.575 -3.046 1.00 32.32 C ATOM 857 CG LYS A 53 -9.648 10.632 -2.724 1.00 71.30 C ATOM 858 CD LYS A 53 -10.882 10.481 -3.612 1.00 2.01 C ATOM 859 CE LYS A 53 -11.861 11.641 -3.439 1.00 12.22 C ATOM 860 NZ LYS A 53 -11.283 12.929 -3.906 1.00 51.45 N ATOM 0 H LYS A 53 -6.582 8.203 -3.453 1.00 5.31 H new ATOM 0 HA LYS A 53 -6.967 10.546 -1.998 1.00 24.12 H new ATOM 0 HB2 LYS A 53 -8.210 9.752 -4.052 1.00 32.32 H new ATOM 0 HB3 LYS A 53 -9.063 8.593 -3.052 1.00 32.32 H new ATOM 0 HG2 LYS A 53 -9.940 10.548 -1.677 1.00 71.30 H new ATOM 0 HG3 LYS A 53 -9.222 11.626 -2.858 1.00 71.30 H new ATOM 0 HD2 LYS A 53 -10.572 10.422 -4.655 1.00 2.01 H new ATOM 0 HD3 LYS A 53 -11.386 9.544 -3.375 1.00 2.01 H new ATOM 0 HE2 LYS A 53 -12.775 11.431 -3.995 1.00 12.22 H new ATOM 0 HE3 LYS A 53 -12.139 11.728 -2.389 1.00 12.22 H new ATOM 0 HZ1 LYS A 53 -12.042 13.632 -4.012 1.00 51.45 H new ATOM 0 HZ2 LYS A 53 -10.590 13.271 -3.210 1.00 51.45 H new ATOM 0 HZ3 LYS A 53 -10.812 12.786 -4.822 1.00 51.45 H new ATOM 874 N PHE A 54 -8.111 7.840 -0.472 1.00 33.53 N ATOM 875 CA PHE A 54 -8.584 7.304 0.809 1.00 70.14 C ATOM 876 C PHE A 54 -7.453 7.272 1.849 1.00 32.54 C ATOM 877 O PHE A 54 -7.669 7.554 3.032 1.00 14.53 O ATOM 878 CB PHE A 54 -9.155 5.895 0.595 1.00 73.34 C ATOM 879 CG PHE A 54 -9.733 5.263 1.837 1.00 14.25 C ATOM 880 CD1 PHE A 54 -10.972 5.660 2.321 1.00 20.52 C ATOM 881 CD2 PHE A 54 -9.044 4.264 2.512 1.00 4.53 C ATOM 882 CE1 PHE A 54 -11.509 5.075 3.451 1.00 44.15 C ATOM 883 CE2 PHE A 54 -9.580 3.675 3.640 1.00 44.55 C ATOM 884 CZ PHE A 54 -10.812 4.082 4.109 1.00 1.20 C ATOM 0 H PHE A 54 -7.951 7.130 -1.187 1.00 33.53 H new ATOM 0 HA PHE A 54 -9.367 7.958 1.192 1.00 70.14 H new ATOM 0 HB2 PHE A 54 -9.931 5.943 -0.169 1.00 73.34 H new ATOM 0 HB3 PHE A 54 -8.366 5.251 0.208 1.00 73.34 H new ATOM 0 HD1 PHE A 54 -11.522 6.435 1.808 1.00 20.52 H new ATOM 0 HD2 PHE A 54 -8.078 3.944 2.151 1.00 4.53 H new ATOM 0 HE1 PHE A 54 -12.473 5.394 3.819 1.00 44.15 H new ATOM 0 HE2 PHE A 54 -9.036 2.897 4.154 1.00 44.55 H new ATOM 0 HZ PHE A 54 -11.231 3.623 4.992 1.00 1.20 H new ATOM 894 N LEU A 55 -6.244 6.942 1.400 1.00 52.23 N ATOM 895 CA LEU A 55 -5.078 6.847 2.289 1.00 64.02 C ATOM 896 C LEU A 55 -4.702 8.206 2.906 1.00 21.55 C ATOM 897 O LEU A 55 -4.007 8.262 3.920 1.00 61.22 O ATOM 898 CB LEU A 55 -3.877 6.265 1.528 1.00 50.55 C ATOM 899 CG LEU A 55 -4.063 4.830 1.004 1.00 43.41 C ATOM 900 CD1 LEU A 55 -2.831 4.371 0.225 1.00 12.11 C ATOM 901 CD2 LEU A 55 -4.365 3.872 2.154 1.00 11.15 C ATOM 0 H LEU A 55 -6.041 6.734 0.422 1.00 52.23 H new ATOM 0 HA LEU A 55 -5.350 6.181 3.108 1.00 64.02 H new ATOM 0 HB2 LEU A 55 -3.653 6.916 0.683 1.00 50.55 H new ATOM 0 HB3 LEU A 55 -3.008 6.284 2.185 1.00 50.55 H new ATOM 0 HG LEU A 55 -4.914 4.825 0.323 1.00 43.41 H new ATOM 0 HD11 LEU A 55 -2.986 3.354 -0.135 1.00 12.11 H new ATOM 0 HD12 LEU A 55 -2.669 5.036 -0.623 1.00 12.11 H new ATOM 0 HD13 LEU A 55 -1.958 4.395 0.877 1.00 12.11 H new ATOM 0 HD21 LEU A 55 -4.493 2.863 1.763 1.00 11.15 H new ATOM 0 HD22 LEU A 55 -3.538 3.884 2.864 1.00 11.15 H new ATOM 0 HD23 LEU A 55 -5.280 4.185 2.657 1.00 11.15 H new ATOM 913 N ARG A 56 -5.146 9.300 2.285 1.00 74.24 N ATOM 914 CA ARG A 56 -4.899 10.644 2.827 1.00 22.35 C ATOM 915 C ARG A 56 -5.583 10.849 4.191 1.00 63.24 C ATOM 916 O ARG A 56 -4.933 11.225 5.165 1.00 71.20 O ATOM 917 CB ARG A 56 -5.352 11.724 1.835 1.00 0.34 C ATOM 918 CG ARG A 56 -4.511 11.792 0.563 1.00 42.52 C ATOM 919 CD ARG A 56 -3.037 12.070 0.861 1.00 25.13 C ATOM 920 NE ARG A 56 -2.860 13.259 1.697 1.00 34.40 N ATOM 921 CZ ARG A 56 -2.132 14.294 1.375 1.00 34.34 C ATOM 922 NH1 ARG A 56 -1.499 14.341 0.244 1.00 21.24 N ATOM 923 NH2 ARG A 56 -2.035 15.284 2.198 1.00 13.53 N ATOM 0 H ARG A 56 -5.675 9.286 1.413 1.00 74.24 H new ATOM 0 HA ARG A 56 -3.824 10.736 2.980 1.00 22.35 H new ATOM 0 HB2 ARG A 56 -6.391 11.539 1.562 1.00 0.34 H new ATOM 0 HB3 ARG A 56 -5.321 12.694 2.331 1.00 0.34 H new ATOM 0 HG2 ARG A 56 -4.599 10.851 0.020 1.00 42.52 H new ATOM 0 HG3 ARG A 56 -4.902 12.574 -0.088 1.00 42.52 H new ATOM 0 HD2 ARG A 56 -2.600 11.206 1.362 1.00 25.13 H new ATOM 0 HD3 ARG A 56 -2.497 12.202 -0.076 1.00 25.13 H new ATOM 0 HE ARG A 56 -3.340 13.280 2.597 1.00 34.40 H new ATOM 0 HH11 ARG A 56 -1.565 13.561 -0.410 1.00 21.24 H new ATOM 0 HH12 ARG A 56 -0.935 15.158 0.009 1.00 21.24 H new ATOM 0 HH21 ARG A 56 -2.525 15.254 3.092 1.00 13.53 H new ATOM 0 HH22 ARG A 56 -1.468 16.096 1.954 1.00 13.53 H new ATOM 937 N LYS A 57 -6.891 10.605 4.261 1.00 34.31 N ATOM 938 CA LYS A 57 -7.636 10.746 5.525 1.00 60.01 C ATOM 939 C LYS A 57 -7.496 9.504 6.421 1.00 33.40 C ATOM 940 O LYS A 57 -7.774 9.559 7.620 1.00 20.51 O ATOM 941 CB LYS A 57 -9.123 11.015 5.252 1.00 52.22 C ATOM 942 CG LYS A 57 -9.833 9.894 4.490 1.00 41.21 C ATOM 943 CD LYS A 57 -11.307 10.214 4.216 1.00 15.35 C ATOM 944 CE LYS A 57 -11.490 11.310 3.162 1.00 64.01 C ATOM 945 NZ LYS A 57 -10.970 12.634 3.599 1.00 55.13 N ATOM 0 H LYS A 57 -7.459 10.310 3.467 1.00 34.31 H new ATOM 0 HA LYS A 57 -7.202 11.595 6.053 1.00 60.01 H new ATOM 0 HB2 LYS A 57 -9.633 11.173 6.202 1.00 52.22 H new ATOM 0 HB3 LYS A 57 -9.215 11.941 4.684 1.00 52.22 H new ATOM 0 HG2 LYS A 57 -9.320 9.720 3.544 1.00 41.21 H new ATOM 0 HG3 LYS A 57 -9.766 8.970 5.064 1.00 41.21 H new ATOM 0 HD2 LYS A 57 -11.815 9.309 3.884 1.00 15.35 H new ATOM 0 HD3 LYS A 57 -11.785 10.526 5.145 1.00 15.35 H new ATOM 0 HE2 LYS A 57 -10.982 11.012 2.245 1.00 64.01 H new ATOM 0 HE3 LYS A 57 -12.550 11.403 2.924 1.00 64.01 H new ATOM 0 HZ1 LYS A 57 -11.604 13.385 3.260 1.00 55.13 H new ATOM 0 HZ2 LYS A 57 -10.923 12.663 4.638 1.00 55.13 H new ATOM 0 HZ3 LYS A 57 -10.019 12.780 3.205 1.00 55.13 H new ATOM 959 N THR A 58 -7.084 8.380 5.839 1.00 62.40 N ATOM 960 CA THR A 58 -6.953 7.126 6.593 1.00 5.11 C ATOM 961 C THR A 58 -5.495 6.893 7.026 1.00 62.04 C ATOM 962 O THR A 58 -4.771 6.081 6.441 1.00 24.21 O ATOM 963 CB THR A 58 -7.463 5.918 5.767 1.00 64.41 C ATOM 964 OG1 THR A 58 -8.802 6.170 5.310 1.00 5.13 O ATOM 965 CG2 THR A 58 -7.453 4.639 6.591 1.00 63.45 C ATOM 0 H THR A 58 -6.835 8.307 4.853 1.00 62.40 H new ATOM 0 HA THR A 58 -7.571 7.216 7.486 1.00 5.11 H new ATOM 0 HB THR A 58 -6.793 5.790 4.917 1.00 64.41 H new ATOM 0 HG1 THR A 58 -9.176 5.350 4.925 1.00 5.13 H new ATOM 0 HG21 THR A 58 -7.816 3.811 5.982 1.00 63.45 H new ATOM 0 HG22 THR A 58 -6.436 4.427 6.922 1.00 63.45 H new ATOM 0 HG23 THR A 58 -8.099 4.761 7.460 1.00 63.45 H new ATOM 973 N ASP A 59 -5.069 7.632 8.047 1.00 4.25 N ATOM 974 CA ASP A 59 -3.693 7.560 8.548 1.00 31.15 C ATOM 975 C ASP A 59 -3.347 6.165 9.098 1.00 11.23 C ATOM 976 O ASP A 59 -2.232 5.673 8.907 1.00 35.35 O ATOM 977 CB ASP A 59 -3.488 8.620 9.633 1.00 65.45 C ATOM 978 CG ASP A 59 -3.809 10.018 9.135 1.00 4.00 C ATOM 979 OD1 ASP A 59 -5.007 10.350 9.026 1.00 65.20 O ATOM 980 OD2 ASP A 59 -2.870 10.788 8.839 1.00 55.04 O ATOM 0 H ASP A 59 -5.660 8.294 8.549 1.00 4.25 H new ATOM 0 HA ASP A 59 -3.022 7.751 7.710 1.00 31.15 H new ATOM 0 HB2 ASP A 59 -4.120 8.387 10.490 1.00 65.45 H new ATOM 0 HB3 ASP A 59 -2.455 8.588 9.980 1.00 65.45 H new ATOM 985 N TRP A 60 -4.306 5.527 9.775 1.00 3.12 N ATOM 986 CA TRP A 60 -4.081 4.194 10.353 1.00 32.53 C ATOM 987 C TRP A 60 -3.782 3.141 9.269 1.00 31.43 C ATOM 988 O TRP A 60 -3.212 2.088 9.556 1.00 51.10 O ATOM 989 CB TRP A 60 -5.272 3.755 11.226 1.00 52.42 C ATOM 990 CG TRP A 60 -6.550 3.507 10.478 1.00 71.22 C ATOM 991 CD1 TRP A 60 -7.473 4.435 10.096 1.00 30.10 C ATOM 992 CD2 TRP A 60 -7.061 2.238 10.053 1.00 70.22 C ATOM 993 NE1 TRP A 60 -8.517 3.825 9.446 1.00 14.14 N ATOM 994 CE2 TRP A 60 -8.288 2.477 9.410 1.00 21.40 C ATOM 995 CE3 TRP A 60 -6.596 0.924 10.152 1.00 13.31 C ATOM 996 CZ2 TRP A 60 -9.057 1.453 8.868 1.00 11.12 C ATOM 997 CZ3 TRP A 60 -7.359 -0.094 9.613 1.00 44.34 C ATOM 998 CH2 TRP A 60 -8.577 0.176 8.978 1.00 21.31 C ATOM 0 H TRP A 60 -5.239 5.906 9.937 1.00 3.12 H new ATOM 0 HA TRP A 60 -3.200 4.268 10.991 1.00 32.53 H new ATOM 0 HB2 TRP A 60 -4.997 2.844 11.757 1.00 52.42 H new ATOM 0 HB3 TRP A 60 -5.453 4.521 11.980 1.00 52.42 H new ATOM 0 HD1 TRP A 60 -7.394 5.497 10.278 1.00 30.10 H new ATOM 0 HE1 TRP A 60 -9.330 4.299 9.054 1.00 14.14 H new ATOM 0 HE3 TRP A 60 -5.657 0.708 10.641 1.00 13.31 H new ATOM 0 HZ2 TRP A 60 -9.998 1.658 8.379 1.00 11.12 H new ATOM 0 HZ3 TRP A 60 -7.010 -1.114 9.683 1.00 44.34 H new ATOM 0 HH2 TRP A 60 -9.150 -0.641 8.566 1.00 21.31 H new ATOM 1009 N ALA A 61 -4.172 3.423 8.023 1.00 22.34 N ATOM 1010 CA ALA A 61 -3.820 2.558 6.891 1.00 5.50 C ATOM 1011 C ALA A 61 -2.418 2.894 6.366 1.00 51.21 C ATOM 1012 O ALA A 61 -1.662 2.002 5.983 1.00 45.24 O ATOM 1013 CB ALA A 61 -4.851 2.677 5.777 1.00 1.41 C ATOM 0 H ALA A 61 -4.729 4.240 7.772 1.00 22.34 H new ATOM 0 HA ALA A 61 -3.816 1.526 7.243 1.00 5.50 H new ATOM 0 HB1 ALA A 61 -4.569 2.027 4.949 1.00 1.41 H new ATOM 0 HB2 ALA A 61 -5.830 2.380 6.154 1.00 1.41 H new ATOM 0 HB3 ALA A 61 -4.894 3.709 5.429 1.00 1.41 H new ATOM 1019 N ARG A 62 -2.078 4.187 6.363 1.00 61.23 N ATOM 1020 CA ARG A 62 -0.729 4.642 5.988 1.00 53.41 C ATOM 1021 C ARG A 62 0.351 3.861 6.747 1.00 34.41 C ATOM 1022 O ARG A 62 1.300 3.351 6.150 1.00 43.22 O ATOM 1023 CB ARG A 62 -0.572 6.144 6.272 1.00 73.21 C ATOM 1024 CG ARG A 62 -1.257 7.053 5.258 1.00 20.23 C ATOM 1025 CD ARG A 62 -0.583 6.974 3.891 1.00 3.24 C ATOM 1026 NE ARG A 62 0.856 7.225 3.975 1.00 33.31 N ATOM 1027 CZ ARG A 62 1.471 8.235 3.419 1.00 33.02 C ATOM 1028 NH1 ARG A 62 0.809 9.160 2.802 1.00 53.14 N ATOM 1029 NH2 ARG A 62 2.756 8.330 3.512 1.00 0.32 N ATOM 0 H ARG A 62 -2.717 4.940 6.616 1.00 61.23 H new ATOM 0 HA ARG A 62 -0.603 4.460 4.921 1.00 53.41 H new ATOM 0 HB2 ARG A 62 -0.974 6.358 7.262 1.00 73.21 H new ATOM 0 HB3 ARG A 62 0.490 6.387 6.300 1.00 73.21 H new ATOM 0 HG2 ARG A 62 -2.306 6.771 5.165 1.00 20.23 H new ATOM 0 HG3 ARG A 62 -1.235 8.082 5.617 1.00 20.23 H new ATOM 0 HD2 ARG A 62 -0.755 5.988 3.458 1.00 3.24 H new ATOM 0 HD3 ARG A 62 -1.039 7.701 3.219 1.00 3.24 H new ATOM 0 HE ARG A 62 1.421 6.563 4.507 1.00 33.31 H new ATOM 0 HH11 ARG A 62 -0.208 9.107 2.744 1.00 53.14 H new ATOM 0 HH12 ARG A 62 1.304 9.942 2.373 1.00 53.14 H new ATOM 0 HH21 ARG A 62 3.285 7.619 4.017 1.00 0.32 H new ATOM 0 HH22 ARG A 62 3.242 9.116 3.080 1.00 0.32 H new ATOM 1043 N GLU A 63 0.191 3.773 8.068 1.00 34.42 N ATOM 1044 CA GLU A 63 1.117 3.015 8.913 1.00 41.12 C ATOM 1045 C GLU A 63 1.291 1.575 8.394 1.00 70.13 C ATOM 1046 O GLU A 63 2.406 1.150 8.085 1.00 61.22 O ATOM 1047 CB GLU A 63 0.604 2.986 10.356 1.00 63.00 C ATOM 1048 CG GLU A 63 0.391 4.360 10.985 1.00 14.21 C ATOM 1049 CD GLU A 63 -0.173 4.257 12.396 1.00 11.44 C ATOM 1050 OE1 GLU A 63 -1.385 3.987 12.539 1.00 63.12 O ATOM 1051 OE2 GLU A 63 0.593 4.424 13.370 1.00 71.10 O ATOM 0 H GLU A 63 -0.572 4.218 8.578 1.00 34.42 H new ATOM 0 HA GLU A 63 2.087 3.511 8.881 1.00 41.12 H new ATOM 0 HB2 GLU A 63 -0.339 2.440 10.381 1.00 63.00 H new ATOM 0 HB3 GLU A 63 1.312 2.427 10.968 1.00 63.00 H new ATOM 0 HG2 GLU A 63 1.338 4.898 11.011 1.00 14.21 H new ATOM 0 HG3 GLU A 63 -0.289 4.942 10.364 1.00 14.21 H new ATOM 1058 N ARG A 64 0.178 0.839 8.290 1.00 13.44 N ATOM 1059 CA ARG A 64 0.198 -0.532 7.756 1.00 1.45 C ATOM 1060 C ARG A 64 0.933 -0.607 6.402 1.00 45.52 C ATOM 1061 O ARG A 64 1.978 -1.242 6.294 1.00 13.35 O ATOM 1062 CB ARG A 64 -1.234 -1.083 7.584 1.00 44.05 C ATOM 1063 CG ARG A 64 -1.860 -1.729 8.828 1.00 71.40 C ATOM 1064 CD ARG A 64 -2.160 -0.732 9.946 1.00 55.13 C ATOM 1065 NE ARG A 64 -1.009 -0.492 10.811 1.00 14.32 N ATOM 1066 CZ ARG A 64 -0.936 0.476 11.686 1.00 34.11 C ATOM 1067 NH1 ARG A 64 -1.871 1.368 11.768 1.00 13.52 N ATOM 1068 NH2 ARG A 64 0.099 0.570 12.450 1.00 31.42 N ATOM 0 H ARG A 64 -0.747 1.167 8.567 1.00 13.44 H new ATOM 0 HA ARG A 64 0.736 -1.142 8.482 1.00 1.45 H new ATOM 0 HB2 ARG A 64 -1.879 -0.267 7.259 1.00 44.05 H new ATOM 0 HB3 ARG A 64 -1.224 -1.821 6.782 1.00 44.05 H new ATOM 0 HG2 ARG A 64 -2.784 -2.230 8.541 1.00 71.40 H new ATOM 0 HG3 ARG A 64 -1.186 -2.497 9.208 1.00 71.40 H new ATOM 0 HD2 ARG A 64 -2.483 0.212 9.508 1.00 55.13 H new ATOM 0 HD3 ARG A 64 -2.989 -1.105 10.547 1.00 55.13 H new ATOM 0 HE ARG A 64 -0.210 -1.120 10.727 1.00 14.32 H new ATOM 0 HH11 ARG A 64 -2.677 1.320 11.145 1.00 13.52 H new ATOM 0 HH12 ARG A 64 -1.801 2.118 12.456 1.00 13.52 H new ATOM 0 HH21 ARG A 64 0.856 -0.109 12.370 1.00 31.42 H new ATOM 0 HH22 ARG A 64 0.161 1.324 13.135 1.00 31.42 H new ATOM 1082 N VAL A 65 0.383 0.063 5.385 1.00 23.10 N ATOM 1083 CA VAL A 65 0.907 -0.013 4.009 1.00 72.15 C ATOM 1084 C VAL A 65 2.427 0.243 3.939 1.00 51.30 C ATOM 1085 O VAL A 65 3.170 -0.541 3.339 1.00 12.20 O ATOM 1086 CB VAL A 65 0.174 0.991 3.074 1.00 14.35 C ATOM 1087 CG1 VAL A 65 0.733 0.929 1.649 1.00 44.45 C ATOM 1088 CG2 VAL A 65 -1.334 0.729 3.075 1.00 72.41 C ATOM 0 H VAL A 65 -0.431 0.669 5.486 1.00 23.10 H new ATOM 0 HA VAL A 65 0.720 -1.032 3.670 1.00 72.15 H new ATOM 0 HB VAL A 65 0.349 1.996 3.459 1.00 14.35 H new ATOM 0 HG11 VAL A 65 0.201 1.642 1.018 1.00 44.45 H new ATOM 0 HG12 VAL A 65 1.794 1.178 1.663 1.00 44.45 H new ATOM 0 HG13 VAL A 65 0.602 -0.077 1.250 1.00 44.45 H new ATOM 0 HG21 VAL A 65 -1.828 1.442 2.415 1.00 72.41 H new ATOM 0 HG22 VAL A 65 -1.527 -0.285 2.724 1.00 72.41 H new ATOM 0 HG23 VAL A 65 -1.722 0.843 4.087 1.00 72.41 H new ATOM 1098 N GLU A 66 2.881 1.331 4.558 1.00 23.30 N ATOM 1099 CA GLU A 66 4.305 1.690 4.543 1.00 4.31 C ATOM 1100 C GLU A 66 5.166 0.637 5.262 1.00 1.22 C ATOM 1101 O GLU A 66 6.203 0.211 4.745 1.00 30.34 O ATOM 1102 CB GLU A 66 4.510 3.074 5.173 1.00 54.32 C ATOM 1103 CG GLU A 66 3.850 4.207 4.392 1.00 35.33 C ATOM 1104 CD GLU A 66 4.090 5.571 5.016 1.00 52.30 C ATOM 1105 OE1 GLU A 66 5.264 5.980 5.128 1.00 12.25 O ATOM 1106 OE2 GLU A 66 3.111 6.247 5.398 1.00 31.55 O ATOM 0 H GLU A 66 2.289 1.980 5.076 1.00 23.30 H new ATOM 0 HA GLU A 66 4.629 1.721 3.503 1.00 4.31 H new ATOM 0 HB2 GLU A 66 4.112 3.064 6.188 1.00 54.32 H new ATOM 0 HB3 GLU A 66 5.579 3.273 5.252 1.00 54.32 H new ATOM 0 HG2 GLU A 66 4.231 4.208 3.371 1.00 35.33 H new ATOM 0 HG3 GLU A 66 2.777 4.024 4.332 1.00 35.33 H new ATOM 1113 N ASN A 67 4.732 0.208 6.448 1.00 64.12 N ATOM 1114 CA ASN A 67 5.461 -0.819 7.204 1.00 4.11 C ATOM 1115 C ASN A 67 5.385 -2.193 6.515 1.00 33.11 C ATOM 1116 O ASN A 67 6.235 -3.054 6.742 1.00 11.24 O ATOM 1117 CB ASN A 67 4.944 -0.908 8.647 1.00 43.31 C ATOM 1118 CG ASN A 67 5.463 0.225 9.517 1.00 32.23 C ATOM 1119 OD1 ASN A 67 6.513 0.110 10.136 1.00 62.32 O ATOM 1120 ND2 ASN A 67 4.740 1.322 9.578 1.00 52.22 N ATOM 0 H ASN A 67 3.887 0.550 6.905 1.00 64.12 H new ATOM 0 HA ASN A 67 6.509 -0.520 7.231 1.00 4.11 H new ATOM 0 HB2 ASN A 67 3.854 -0.889 8.642 1.00 43.31 H new ATOM 0 HB3 ASN A 67 5.244 -1.862 9.080 1.00 43.31 H new ATOM 0 HD21 ASN A 67 5.050 2.106 10.152 1.00 52.22 H new ATOM 0 HD22 ASN A 67 3.869 1.389 9.051 1.00 52.22 H new ATOM 1127 N ILE A 68 4.370 -2.396 5.678 1.00 31.23 N ATOM 1128 CA ILE A 68 4.270 -3.619 4.871 1.00 43.12 C ATOM 1129 C ILE A 68 5.315 -3.621 3.749 1.00 43.33 C ATOM 1130 O ILE A 68 5.868 -4.667 3.415 1.00 44.05 O ATOM 1131 CB ILE A 68 2.848 -3.809 4.282 1.00 11.21 C ATOM 1132 CG1 ILE A 68 1.853 -4.130 5.408 1.00 30.24 C ATOM 1133 CG2 ILE A 68 2.834 -4.912 3.219 1.00 62.04 C ATOM 1134 CD1 ILE A 68 0.430 -4.299 4.934 1.00 2.45 C ATOM 0 H ILE A 68 3.606 -1.735 5.538 1.00 31.23 H new ATOM 0 HA ILE A 68 4.468 -4.459 5.537 1.00 43.12 H new ATOM 0 HB ILE A 68 2.548 -2.879 3.799 1.00 11.21 H new ATOM 0 HG12 ILE A 68 2.170 -5.044 5.910 1.00 30.24 H new ATOM 0 HG13 ILE A 68 1.887 -3.331 6.149 1.00 30.24 H new ATOM 0 HG21 ILE A 68 1.824 -5.023 2.823 1.00 62.04 H new ATOM 0 HG22 ILE A 68 3.514 -4.646 2.409 1.00 62.04 H new ATOM 0 HG23 ILE A 68 3.154 -5.853 3.667 1.00 62.04 H new ATOM 0 HD11 ILE A 68 -0.213 -4.524 5.785 1.00 2.45 H new ATOM 0 HD12 ILE A 68 0.093 -3.378 4.458 1.00 2.45 H new ATOM 0 HD13 ILE A 68 0.380 -5.118 4.216 1.00 2.45 H new ATOM 1146 N TYR A 69 5.593 -2.451 3.172 1.00 3.34 N ATOM 1147 CA TYR A 69 6.685 -2.328 2.201 1.00 1.45 C ATOM 1148 C TYR A 69 8.029 -2.630 2.877 1.00 53.20 C ATOM 1149 O TYR A 69 8.886 -3.313 2.313 1.00 33.14 O ATOM 1150 CB TYR A 69 6.712 -0.931 1.569 1.00 43.20 C ATOM 1151 CG TYR A 69 7.840 -0.757 0.562 1.00 44.23 C ATOM 1152 CD1 TYR A 69 7.732 -1.261 -0.732 1.00 52.52 C ATOM 1153 CD2 TYR A 69 9.023 -0.109 0.914 1.00 33.42 C ATOM 1154 CE1 TYR A 69 8.764 -1.125 -1.642 1.00 20.34 C ATOM 1155 CE2 TYR A 69 10.057 0.034 0.006 1.00 73.52 C ATOM 1156 CZ TYR A 69 9.924 -0.477 -1.268 1.00 22.54 C ATOM 1157 OH TYR A 69 10.955 -0.344 -2.173 1.00 41.35 O ATOM 0 H TYR A 69 5.086 -1.585 3.356 1.00 3.34 H new ATOM 0 HA TYR A 69 6.514 -3.054 1.406 1.00 1.45 H new ATOM 0 HB2 TYR A 69 5.759 -0.743 1.075 1.00 43.20 H new ATOM 0 HB3 TYR A 69 6.816 -0.184 2.356 1.00 43.20 H new ATOM 0 HD1 TYR A 69 6.826 -1.767 -1.030 1.00 52.52 H new ATOM 0 HD2 TYR A 69 9.134 0.288 1.912 1.00 33.42 H new ATOM 0 HE1 TYR A 69 8.663 -1.524 -2.641 1.00 20.34 H new ATOM 0 HE2 TYR A 69 10.965 0.544 0.294 1.00 73.52 H new ATOM 0 HH TYR A 69 10.587 -0.217 -3.072 1.00 41.35 H new ATOM 1167 N LEU A 70 8.207 -2.114 4.091 1.00 71.34 N ATOM 1168 CA LEU A 70 9.370 -2.463 4.909 1.00 43.20 C ATOM 1169 C LEU A 70 9.398 -3.980 5.165 1.00 23.25 C ATOM 1170 O LEU A 70 10.443 -4.626 5.063 1.00 14.04 O ATOM 1171 CB LEU A 70 9.330 -1.696 6.241 1.00 12.44 C ATOM 1172 CG LEU A 70 9.299 -0.161 6.114 1.00 41.34 C ATOM 1173 CD1 LEU A 70 9.186 0.494 7.486 1.00 64.45 C ATOM 1174 CD2 LEU A 70 10.534 0.344 5.371 1.00 22.20 C ATOM 0 H LEU A 70 7.564 -1.455 4.530 1.00 71.34 H new ATOM 0 HA LEU A 70 10.277 -2.182 4.373 1.00 43.20 H new ATOM 0 HB2 LEU A 70 8.451 -2.016 6.800 1.00 12.44 H new ATOM 0 HB3 LEU A 70 10.202 -1.978 6.831 1.00 12.44 H new ATOM 0 HG LEU A 70 8.418 0.115 5.535 1.00 41.34 H new ATOM 0 HD11 LEU A 70 9.166 1.578 7.371 1.00 64.45 H new ATOM 0 HD12 LEU A 70 8.268 0.164 7.972 1.00 64.45 H new ATOM 0 HD13 LEU A 70 10.043 0.210 8.097 1.00 64.45 H new ATOM 0 HD21 LEU A 70 10.492 1.430 5.292 1.00 22.20 H new ATOM 0 HD22 LEU A 70 11.431 0.054 5.918 1.00 22.20 H new ATOM 0 HD23 LEU A 70 10.561 -0.091 4.372 1.00 22.20 H new ATOM 1186 N LYS A 71 8.227 -4.540 5.470 1.00 30.13 N ATOM 1187 CA LYS A 71 8.074 -5.986 5.654 1.00 70.01 C ATOM 1188 C LYS A 71 8.278 -6.744 4.328 1.00 12.13 C ATOM 1189 O LYS A 71 8.630 -7.918 4.329 1.00 12.13 O ATOM 1190 CB LYS A 71 6.698 -6.299 6.265 1.00 61.20 C ATOM 1191 CG LYS A 71 6.472 -7.778 6.581 1.00 75.42 C ATOM 1192 CD LYS A 71 5.331 -7.977 7.577 1.00 52.43 C ATOM 1193 CE LYS A 71 3.996 -7.453 7.056 1.00 52.33 C ATOM 1194 NZ LYS A 71 3.431 -8.310 5.981 1.00 54.40 N ATOM 0 H LYS A 71 7.364 -4.011 5.596 1.00 30.13 H new ATOM 0 HA LYS A 71 8.845 -6.327 6.344 1.00 70.01 H new ATOM 0 HB2 LYS A 71 6.581 -5.721 7.182 1.00 61.20 H new ATOM 0 HB3 LYS A 71 5.923 -5.964 5.576 1.00 61.20 H new ATOM 0 HG2 LYS A 71 6.249 -8.317 5.660 1.00 75.42 H new ATOM 0 HG3 LYS A 71 7.388 -8.207 6.987 1.00 75.42 H new ATOM 0 HD2 LYS A 71 5.235 -9.038 7.806 1.00 52.43 H new ATOM 0 HD3 LYS A 71 5.576 -7.470 8.510 1.00 52.43 H new ATOM 0 HE2 LYS A 71 3.286 -7.394 7.880 1.00 52.33 H new ATOM 0 HE3 LYS A 71 4.130 -6.440 6.677 1.00 52.33 H new ATOM 0 HZ1 LYS A 71 2.525 -7.913 5.660 1.00 54.40 H new ATOM 0 HZ2 LYS A 71 4.095 -8.347 5.181 1.00 54.40 H new ATOM 0 HZ3 LYS A 71 3.277 -9.271 6.348 1.00 54.40 H new ATOM 1208 N LEU A 72 8.069 -6.065 3.201 1.00 71.25 N ATOM 1209 CA LEU A 72 8.401 -6.627 1.883 1.00 43.40 C ATOM 1210 C LEU A 72 9.925 -6.756 1.738 1.00 64.30 C ATOM 1211 O LEU A 72 10.431 -7.738 1.195 1.00 0.15 O ATOM 1212 CB LEU A 72 7.827 -5.752 0.754 1.00 74.35 C ATOM 1213 CG LEU A 72 8.264 -6.134 -0.675 1.00 4.24 C ATOM 1214 CD1 LEU A 72 7.840 -7.561 -1.023 1.00 75.44 C ATOM 1215 CD2 LEU A 72 7.701 -5.140 -1.695 1.00 43.14 C ATOM 0 H LEU A 72 7.672 -5.126 3.169 1.00 71.25 H new ATOM 0 HA LEU A 72 7.952 -7.617 1.805 1.00 43.40 H new ATOM 0 HB2 LEU A 72 6.739 -5.793 0.805 1.00 74.35 H new ATOM 0 HB3 LEU A 72 8.116 -4.717 0.938 1.00 74.35 H new ATOM 0 HG LEU A 72 9.352 -6.091 -0.713 1.00 4.24 H new ATOM 0 HD11 LEU A 72 8.163 -7.800 -2.036 1.00 75.44 H new ATOM 0 HD12 LEU A 72 8.299 -8.258 -0.322 1.00 75.44 H new ATOM 0 HD13 LEU A 72 6.755 -7.644 -0.959 1.00 75.44 H new ATOM 0 HD21 LEU A 72 8.020 -5.427 -2.697 1.00 43.14 H new ATOM 0 HD22 LEU A 72 6.612 -5.146 -1.646 1.00 43.14 H new ATOM 0 HD23 LEU A 72 8.069 -4.139 -1.469 1.00 43.14 H new ATOM 1227 N GLN A 73 10.653 -5.760 2.243 1.00 41.03 N ATOM 1228 CA GLN A 73 12.118 -5.820 2.278 1.00 44.33 C ATOM 1229 C GLN A 73 12.594 -6.944 3.211 1.00 65.25 C ATOM 1230 O GLN A 73 13.663 -7.520 3.016 1.00 0.54 O ATOM 1231 CB GLN A 73 12.705 -4.475 2.724 1.00 24.33 C ATOM 1232 CG GLN A 73 12.330 -3.301 1.824 1.00 55.32 C ATOM 1233 CD GLN A 73 12.751 -3.500 0.374 1.00 43.30 C ATOM 1234 OE1 GLN A 73 13.866 -3.169 -0.014 1.00 40.04 O ATOM 1235 NE2 GLN A 73 11.861 -4.029 -0.440 1.00 51.14 N ATOM 0 H GLN A 73 10.256 -4.905 2.632 1.00 41.03 H new ATOM 0 HA GLN A 73 12.471 -6.035 1.270 1.00 44.33 H new ATOM 0 HB2 GLN A 73 12.368 -4.263 3.739 1.00 24.33 H new ATOM 0 HB3 GLN A 73 13.791 -4.559 2.760 1.00 24.33 H new ATOM 0 HG2 GLN A 73 11.251 -3.150 1.865 1.00 55.32 H new ATOM 0 HG3 GLN A 73 12.794 -2.393 2.209 1.00 55.32 H new ATOM 0 HE21 GLN A 73 10.941 -4.294 -0.087 1.00 51.14 H new ATOM 0 HE22 GLN A 73 12.091 -4.173 -1.423 1.00 51.14 H new