USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 CYS SG : rot -139:sc= -1.12 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -4.08! C(o=-5.2!,f=-14!) USER MOD Set 2.1: A 28 ASN : amide:sc= -4.98 K(o=-9,f=-4.4!) USER MOD Set 2.2: A 33 GLN : amide:sc= -3.97! K(o=-9!,f=-4.4) USER MOD Set 3.1: A 23 THR OG1 : rot -113:sc= 1.32 USER MOD Set 3.2: A 26 ASN : amide:sc= -1.4 K(o=-0.081,f=-2.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= 1.48 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -129:sc= -1.26! USER MOD Single : A 51 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.2!) USER MOD Single : A 54 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= 0.164 (180deg=-0.0118) USER MOD Single : A 62 THR OG1 : rot -86:sc= 0.771 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0184 (180deg=-0.183) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -7.75! C(o=-7.7!,f=-20!) USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= -0.124 (180deg=-0.622) USER MOD Single : A 78 HIS : no HD1:sc= -7.73! C(o=-7.7!,f=-6.4!) USER MOD Single : A 79 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 82:sc= 1.56 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 51:sc= 0.517 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -5.11! K(o=-5.1!,f=-3.4) USER MOD Single : A 100 LYS NZ :NH3+ 162:sc= 0.906 (180deg=0.655) USER MOD Single : A 101 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.5!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 110:sc= -0.535 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.599 2.509 -11.762 1.00 0.00 N ATOM 196 CA ASP A 18 7.355 1.085 -11.563 1.00 0.00 C ATOM 197 C ASP A 18 6.122 0.862 -10.693 1.00 0.00 C ATOM 198 O ASP A 18 5.464 -0.175 -10.783 1.00 0.00 O ATOM 199 CB ASP A 18 8.574 0.421 -10.921 1.00 0.00 C ATOM 200 CG ASP A 18 9.851 0.688 -11.693 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.382 1.813 -11.591 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.320 -0.229 -12.400 1.00 0.00 O ATOM 0 HA ASP A 18 7.177 0.632 -12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.687 0.785 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.408 -0.655 -10.859 1.00 0.00 H new ATOM 207 N VAL A 19 5.814 1.842 -9.849 1.00 0.00 N ATOM 208 CA VAL A 19 4.660 1.753 -8.962 1.00 0.00 C ATOM 209 C VAL A 19 3.358 1.721 -9.755 1.00 0.00 C ATOM 210 O VAL A 19 3.162 2.513 -10.678 1.00 0.00 O ATOM 211 CB VAL A 19 4.618 2.936 -7.976 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.366 2.869 -7.115 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.869 2.952 -7.111 1.00 0.00 C ATOM 0 H VAL A 19 6.348 2.707 -9.761 1.00 0.00 H new ATOM 0 HA VAL A 19 4.763 0.824 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 19 4.587 3.863 -8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.354 3.712 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.483 2.909 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.363 1.937 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.823 3.794 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.933 2.022 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.749 3.051 -7.746 1.00 0.00 H new ATOM 223 N ILE A 20 2.472 0.801 -9.390 1.00 0.00 N ATOM 224 CA ILE A 20 1.188 0.667 -10.066 1.00 0.00 C ATOM 225 C ILE A 20 0.110 1.489 -9.368 1.00 0.00 C ATOM 226 O ILE A 20 -0.158 1.299 -8.182 1.00 0.00 O ATOM 227 CB ILE A 20 0.736 -0.804 -10.129 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.705 -1.622 -10.985 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.678 -0.900 -10.682 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.648 -3.108 -10.710 1.00 0.00 C ATOM 0 H ILE A 20 2.620 0.137 -8.630 1.00 0.00 H new ATOM 0 HA ILE A 20 1.326 1.040 -11.081 1.00 0.00 H new ATOM 0 HB ILE A 20 0.739 -1.213 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.484 -1.447 -12.038 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.721 -1.267 -10.810 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.983 -1.946 -10.721 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.360 -0.346 -10.036 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.705 -0.477 -11.686 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.361 -3.625 -11.352 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.899 -3.295 -9.666 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.643 -3.477 -10.913 1.00 0.00 H new ATOM 242 N GLU A 21 -0.507 2.401 -10.113 1.00 0.00 N ATOM 243 CA GLU A 21 -1.557 3.251 -9.564 1.00 0.00 C ATOM 244 C GLU A 21 -2.789 2.428 -9.201 1.00 0.00 C ATOM 245 O GLU A 21 -3.556 2.018 -10.074 1.00 0.00 O ATOM 246 CB GLU A 21 -1.937 4.342 -10.568 1.00 0.00 C ATOM 247 CG GLU A 21 -2.670 5.516 -9.942 1.00 0.00 C ATOM 248 CD GLU A 21 -3.594 6.216 -10.920 1.00 0.00 C ATOM 249 OE1 GLU A 21 -3.094 6.729 -11.944 1.00 0.00 O ATOM 250 OE2 GLU A 21 -4.815 6.251 -10.663 1.00 0.00 O ATOM 0 H GLU A 21 -0.298 2.570 -11.097 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.174 3.719 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.033 4.707 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.564 3.906 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.250 5.164 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.942 6.232 -9.560 1.00 0.00 H new ATOM 257 N LEU A 22 -2.973 2.189 -7.907 1.00 0.00 N ATOM 258 CA LEU A 22 -4.112 1.414 -7.427 1.00 0.00 C ATOM 259 C LEU A 22 -5.309 2.318 -7.152 1.00 0.00 C ATOM 260 O LEU A 22 -5.172 3.384 -6.549 1.00 0.00 O ATOM 261 CB LEU A 22 -3.734 0.649 -6.157 1.00 0.00 C ATOM 262 CG LEU A 22 -2.845 -0.579 -6.353 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.583 -1.266 -5.021 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.483 -1.548 -7.338 1.00 0.00 C ATOM 0 H LEU A 22 -2.349 2.521 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.389 0.702 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.226 1.336 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.651 0.333 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.890 -0.251 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.949 -2.138 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.083 -0.572 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.529 -1.581 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.836 -2.416 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.452 -1.870 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.619 -1.053 -8.299 1.00 0.00 H new ATOM 276 N THR A 23 -6.485 1.886 -7.596 1.00 0.00 N ATOM 277 CA THR A 23 -7.707 2.655 -7.397 1.00 0.00 C ATOM 278 C THR A 23 -8.837 1.769 -6.885 1.00 0.00 C ATOM 279 O THR A 23 -8.802 0.545 -7.006 1.00 0.00 O ATOM 280 CB THR A 23 -8.158 3.340 -8.701 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.106 2.514 -9.386 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.967 3.614 -9.608 1.00 0.00 C ATOM 0 H THR A 23 -6.617 1.007 -8.096 1.00 0.00 H new ATOM 0 HA THR A 23 -7.482 3.419 -6.653 1.00 0.00 H new ATOM 0 HB THR A 23 -8.625 4.291 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.715 2.194 -10.226 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.310 4.098 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.261 4.267 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.476 2.674 -9.857 1.00 0.00 H new ATOM 290 N PRO A 24 -9.866 2.401 -6.299 1.00 0.00 N ATOM 291 CA PRO A 24 -11.027 1.688 -5.758 1.00 0.00 C ATOM 292 C PRO A 24 -11.897 1.081 -6.854 1.00 0.00 C ATOM 293 O PRO A 24 -13.061 0.753 -6.625 1.00 0.00 O ATOM 294 CB PRO A 24 -11.796 2.780 -5.010 1.00 0.00 C ATOM 295 CG PRO A 24 -11.399 4.050 -5.680 1.00 0.00 C ATOM 296 CD PRO A 24 -9.974 3.858 -6.121 1.00 0.00 C ATOM 0 HA PRO A 24 -10.733 0.847 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.872 2.619 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.536 2.793 -3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.046 4.261 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.486 4.895 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.764 4.393 -7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.269 4.225 -5.375 1.00 0.00 H new ATOM 304 N SER A 25 -11.323 0.932 -8.044 1.00 0.00 N ATOM 305 CA SER A 25 -12.048 0.367 -9.176 1.00 0.00 C ATOM 306 C SER A 25 -11.334 -0.870 -9.715 1.00 0.00 C ATOM 307 O SER A 25 -11.945 -1.720 -10.361 1.00 0.00 O ATOM 308 CB SER A 25 -12.195 1.409 -10.286 1.00 0.00 C ATOM 309 OG SER A 25 -13.364 2.188 -10.102 1.00 0.00 O ATOM 0 H SER A 25 -10.359 1.195 -8.249 1.00 0.00 H new ATOM 0 HA SER A 25 -13.039 0.072 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.320 2.058 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.235 0.910 -11.254 1.00 0.00 H new ATOM 0 HG SER A 25 -13.434 2.848 -10.823 1.00 0.00 H new ATOM 315 N ASN A 26 -10.036 -0.962 -9.443 1.00 0.00 N ATOM 316 CA ASN A 26 -9.238 -2.093 -9.900 1.00 0.00 C ATOM 317 C ASN A 26 -8.497 -2.743 -8.735 1.00 0.00 C ATOM 318 O ASN A 26 -8.052 -3.886 -8.829 1.00 0.00 O ATOM 319 CB ASN A 26 -8.237 -1.640 -10.966 1.00 0.00 C ATOM 320 CG ASN A 26 -7.800 -0.201 -10.774 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.522 0.731 -11.126 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.610 -0.014 -10.213 1.00 0.00 N ATOM 0 H ASN A 26 -9.515 -0.267 -8.908 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.914 -2.830 -10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.362 -2.289 -10.938 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.686 -1.752 -11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.262 0.932 -10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.045 -0.817 -9.937 1.00 0.00 H new ATOM 329 N PHE A 27 -8.370 -2.005 -7.637 1.00 0.00 N ATOM 330 CA PHE A 27 -7.684 -2.508 -6.453 1.00 0.00 C ATOM 331 C PHE A 27 -7.929 -4.004 -6.277 1.00 0.00 C ATOM 332 O PHE A 27 -7.060 -4.735 -5.804 1.00 0.00 O ATOM 333 CB PHE A 27 -8.151 -1.753 -5.207 1.00 0.00 C ATOM 334 CG PHE A 27 -7.359 -2.083 -3.974 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.388 -3.359 -3.435 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.585 -1.115 -3.354 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.659 -3.665 -2.301 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.854 -1.416 -2.220 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.892 -2.692 -1.692 1.00 0.00 C ATOM 0 H PHE A 27 -8.733 -1.057 -7.543 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.614 -2.346 -6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.085 -0.681 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.201 -1.981 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.987 -4.124 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.553 -0.115 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.689 -4.664 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.253 -0.654 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.323 -2.928 -0.805 1.00 0.00 H new ATOM 349 N ASN A 28 -9.120 -4.452 -6.661 1.00 0.00 N ATOM 350 CA ASN A 28 -9.481 -5.860 -6.545 1.00 0.00 C ATOM 351 C ASN A 28 -8.886 -6.671 -7.693 1.00 0.00 C ATOM 352 O ASN A 28 -8.307 -7.736 -7.478 1.00 0.00 O ATOM 353 CB ASN A 28 -11.003 -6.018 -6.530 1.00 0.00 C ATOM 354 CG ASN A 28 -11.434 -7.433 -6.197 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.895 -7.709 -5.089 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.285 -8.339 -7.157 1.00 0.00 N ATOM 0 H ASN A 28 -9.851 -3.860 -7.055 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.073 -6.238 -5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.430 -5.330 -5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.404 -5.739 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.557 -9.308 -6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.899 -8.066 -8.061 1.00 0.00 H new ATOM 363 N ARG A 29 -9.032 -6.158 -8.910 1.00 0.00 N ATOM 364 CA ARG A 29 -8.509 -6.834 -10.091 1.00 0.00 C ATOM 365 C ARG A 29 -6.995 -6.672 -10.185 1.00 0.00 C ATOM 366 O ARG A 29 -6.351 -7.258 -11.055 1.00 0.00 O ATOM 367 CB ARG A 29 -9.171 -6.282 -11.355 1.00 0.00 C ATOM 368 CG ARG A 29 -10.503 -6.937 -11.681 1.00 0.00 C ATOM 369 CD ARG A 29 -10.311 -8.252 -12.421 1.00 0.00 C ATOM 370 NE ARG A 29 -11.441 -8.558 -13.295 1.00 0.00 N ATOM 371 CZ ARG A 29 -11.400 -9.474 -14.256 1.00 0.00 C ATOM 372 NH1 ARG A 29 -10.292 -10.170 -14.466 1.00 0.00 N ATOM 373 NH2 ARG A 29 -12.470 -9.695 -15.009 1.00 0.00 N ATOM 0 H ARG A 29 -9.508 -5.277 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.738 -7.896 -10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.323 -5.209 -11.236 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.494 -6.417 -12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.058 -7.114 -10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.103 -6.260 -12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.397 -8.205 -13.013 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.182 -9.059 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.309 -8.040 -13.160 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.468 -10.003 -13.889 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.263 -10.873 -15.205 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.325 -9.161 -14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.438 -10.399 -15.747 1.00 0.00 H new ATOM 387 N GLU A 30 -6.433 -5.874 -9.282 1.00 0.00 N ATOM 388 CA GLU A 30 -4.995 -5.635 -9.265 1.00 0.00 C ATOM 389 C GLU A 30 -4.327 -6.413 -8.135 1.00 0.00 C ATOM 390 O GLU A 30 -3.344 -7.122 -8.350 1.00 0.00 O ATOM 391 CB GLU A 30 -4.706 -4.140 -9.109 1.00 0.00 C ATOM 392 CG GLU A 30 -4.714 -3.379 -10.424 1.00 0.00 C ATOM 393 CD GLU A 30 -3.341 -3.303 -11.063 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.365 -3.015 -10.339 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.242 -3.532 -12.287 1.00 0.00 O ATOM 0 H GLU A 30 -6.951 -5.383 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.584 -5.981 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.448 -3.703 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.734 -4.014 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.406 -3.862 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.087 -2.369 -10.253 1.00 0.00 H new ATOM 402 N VAL A 31 -4.869 -6.275 -6.929 1.00 0.00 N ATOM 403 CA VAL A 31 -4.327 -6.965 -5.764 1.00 0.00 C ATOM 404 C VAL A 31 -5.166 -8.189 -5.411 1.00 0.00 C ATOM 405 O VAL A 31 -4.689 -9.322 -5.482 1.00 0.00 O ATOM 406 CB VAL A 31 -4.260 -6.032 -4.540 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.698 -6.772 -3.336 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.426 -4.800 -4.856 1.00 0.00 C ATOM 0 H VAL A 31 -5.683 -5.692 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.318 -7.283 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.271 -5.706 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.658 -6.098 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.339 -7.621 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.694 -7.129 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.389 -4.151 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.415 -5.105 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.876 -4.260 -5.689 1.00 0.00 H new ATOM 418 N ILE A 32 -6.417 -7.952 -5.031 1.00 0.00 N ATOM 419 CA ILE A 32 -7.322 -9.035 -4.669 1.00 0.00 C ATOM 420 C ILE A 32 -7.286 -10.152 -5.705 1.00 0.00 C ATOM 421 O ILE A 32 -7.452 -11.326 -5.373 1.00 0.00 O ATOM 422 CB ILE A 32 -8.771 -8.533 -4.523 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.833 -7.371 -3.528 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.683 -9.667 -4.078 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.387 -7.746 -2.132 1.00 0.00 C ATOM 0 H ILE A 32 -6.826 -7.020 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.981 -9.422 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.115 -8.176 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.208 -6.556 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.855 -6.994 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.703 -9.296 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.657 -10.466 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.342 -10.052 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.457 -6.874 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.027 -8.539 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.355 -8.095 -2.161 1.00 0.00 H new ATOM 437 N GLN A 33 -7.066 -9.779 -6.962 1.00 0.00 N ATOM 438 CA GLN A 33 -7.006 -10.751 -8.047 1.00 0.00 C ATOM 439 C GLN A 33 -5.561 -11.107 -8.381 1.00 0.00 C ATOM 440 O GLN A 33 -5.233 -11.401 -9.530 1.00 0.00 O ATOM 441 CB GLN A 33 -7.709 -10.202 -9.291 1.00 0.00 C ATOM 442 CG GLN A 33 -9.221 -10.128 -9.152 1.00 0.00 C ATOM 443 CD GLN A 33 -9.782 -11.237 -8.284 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.024 -12.348 -8.757 1.00 0.00 O ATOM 445 NE2 GLN A 33 -9.994 -10.940 -7.007 1.00 0.00 N ATOM 0 H GLN A 33 -6.927 -8.812 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.517 -11.656 -7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.323 -9.206 -9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.461 -10.831 -10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.496 -9.163 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.676 -10.180 -10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.779 -10.006 -6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.372 -11.646 -6.375 1.00 0.00 H new ATOM 454 N SER A 34 -4.701 -11.077 -7.368 1.00 0.00 N ATOM 455 CA SER A 34 -3.289 -11.392 -7.555 1.00 0.00 C ATOM 456 C SER A 34 -2.831 -12.447 -6.553 1.00 0.00 C ATOM 457 O SER A 34 -2.531 -12.136 -5.400 1.00 0.00 O ATOM 458 CB SER A 34 -2.439 -10.129 -7.407 1.00 0.00 C ATOM 459 OG SER A 34 -1.057 -10.441 -7.408 1.00 0.00 O ATOM 0 H SER A 34 -4.957 -10.838 -6.410 1.00 0.00 H new ATOM 0 HA SER A 34 -3.161 -11.791 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.660 -9.441 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.699 -9.619 -6.480 1.00 0.00 H new ATOM 0 HG SER A 34 -0.542 -9.645 -7.160 1.00 0.00 H new ATOM 465 N ASP A 35 -2.780 -13.697 -7.001 1.00 0.00 N ATOM 466 CA ASP A 35 -2.358 -14.799 -6.145 1.00 0.00 C ATOM 467 C ASP A 35 -0.988 -14.520 -5.535 1.00 0.00 C ATOM 468 O ASP A 35 -0.651 -15.042 -4.473 1.00 0.00 O ATOM 469 CB ASP A 35 -2.319 -16.105 -6.940 1.00 0.00 C ATOM 470 CG ASP A 35 -2.360 -17.329 -6.047 1.00 0.00 C ATOM 471 OD1 ASP A 35 -1.364 -17.578 -5.336 1.00 0.00 O ATOM 472 OD2 ASP A 35 -3.388 -18.038 -6.059 1.00 0.00 O ATOM 0 H ASP A 35 -3.026 -13.972 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.083 -14.896 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.164 -16.133 -7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.413 -16.131 -7.546 1.00 0.00 H new ATOM 477 N GLY A 36 -0.200 -13.692 -6.215 1.00 0.00 N ATOM 478 CA GLY A 36 1.125 -13.359 -5.726 1.00 0.00 C ATOM 479 C GLY A 36 1.085 -12.401 -4.552 1.00 0.00 C ATOM 480 O GLY A 36 0.107 -12.364 -3.804 1.00 0.00 O ATOM 0 H GLY A 36 -0.456 -13.246 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.639 -14.273 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.706 -12.915 -6.534 1.00 0.00 H new ATOM 484 N LEU A 37 2.151 -11.626 -4.386 1.00 0.00 N ATOM 485 CA LEU A 37 2.235 -10.664 -3.293 1.00 0.00 C ATOM 486 C LEU A 37 1.996 -9.244 -3.797 1.00 0.00 C ATOM 487 O LEU A 37 2.364 -8.904 -4.922 1.00 0.00 O ATOM 488 CB LEU A 37 3.603 -10.752 -2.614 1.00 0.00 C ATOM 489 CG LEU A 37 3.636 -10.407 -1.124 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.090 -11.561 -0.297 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.053 -10.060 -0.689 1.00 0.00 C ATOM 0 H LEU A 37 2.969 -11.645 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 37 1.459 -10.908 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.985 -11.765 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.289 -10.085 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 37 3.002 -9.536 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.121 -11.298 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.060 -11.763 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.697 -12.450 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.058 -9.817 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.708 -10.912 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.409 -9.202 -1.259 1.00 0.00 H new ATOM 503 N TRP A 38 1.381 -8.420 -2.957 1.00 0.00 N ATOM 504 CA TRP A 38 1.095 -7.036 -3.317 1.00 0.00 C ATOM 505 C TRP A 38 1.438 -6.093 -2.170 1.00 0.00 C ATOM 506 O TRP A 38 1.162 -6.388 -1.006 1.00 0.00 O ATOM 507 CB TRP A 38 -0.379 -6.880 -3.698 1.00 0.00 C ATOM 508 CG TRP A 38 -0.614 -6.883 -5.178 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.923 -7.961 -5.957 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.555 -5.754 -6.057 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.061 -7.570 -7.267 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.841 -6.221 -7.354 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.292 -4.394 -5.873 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.869 -5.375 -8.460 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.320 -3.556 -6.972 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.607 -4.049 -8.252 1.00 0.00 C ATOM 0 H TRP A 38 1.071 -8.686 -2.022 1.00 0.00 H new ATOM 0 HA TRP A 38 1.715 -6.775 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.951 -7.689 -3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.758 -5.948 -3.279 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.041 -8.972 -5.597 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.290 -8.185 -8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.071 -4.005 -4.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.090 -5.753 -9.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.117 -2.503 -6.842 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.622 -3.369 -9.091 1.00 0.00 H new ATOM 527 N LEU A 39 2.043 -4.957 -2.503 1.00 0.00 N ATOM 528 CA LEU A 39 2.424 -3.970 -1.499 1.00 0.00 C ATOM 529 C LEU A 39 1.743 -2.632 -1.765 1.00 0.00 C ATOM 530 O LEU A 39 2.177 -1.861 -2.621 1.00 0.00 O ATOM 531 CB LEU A 39 3.943 -3.788 -1.486 1.00 0.00 C ATOM 532 CG LEU A 39 4.717 -4.675 -0.510 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.213 -4.555 -0.751 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.375 -4.310 0.928 1.00 0.00 C ATOM 0 H LEU A 39 2.280 -4.697 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 39 2.099 -4.335 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.320 -3.974 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.162 -2.746 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 39 4.425 -5.711 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.747 -5.193 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.443 -4.866 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.523 -3.520 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.935 -4.951 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.638 -3.268 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.307 -4.449 1.094 1.00 0.00 H new ATOM 546 N VAL A 40 0.673 -2.361 -1.025 1.00 0.00 N ATOM 547 CA VAL A 40 -0.067 -1.114 -1.178 1.00 0.00 C ATOM 548 C VAL A 40 0.261 -0.138 -0.053 1.00 0.00 C ATOM 549 O VAL A 40 0.188 -0.487 1.125 1.00 0.00 O ATOM 550 CB VAL A 40 -1.587 -1.362 -1.200 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.333 -0.082 -1.543 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.931 -2.469 -2.185 1.00 0.00 C ATOM 0 H VAL A 40 0.299 -2.989 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 40 0.237 -0.681 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.900 -1.680 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.405 -0.278 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.111 0.680 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.019 0.270 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.009 -2.631 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.605 -2.181 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.426 -3.389 -1.889 1.00 0.00 H new ATOM 562 N GLU A 41 0.621 1.086 -0.425 1.00 0.00 N ATOM 563 CA GLU A 41 0.961 2.112 0.553 1.00 0.00 C ATOM 564 C GLU A 41 0.035 3.318 0.421 1.00 0.00 C ATOM 565 O GLU A 41 0.016 3.989 -0.612 1.00 0.00 O ATOM 566 CB GLU A 41 2.416 2.551 0.381 1.00 0.00 C ATOM 567 CG GLU A 41 2.732 3.885 1.036 1.00 0.00 C ATOM 568 CD GLU A 41 4.203 4.241 0.956 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.044 3.357 1.221 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.515 5.405 0.628 1.00 0.00 O ATOM 0 H GLU A 41 0.685 1.391 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 41 0.834 1.685 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.069 1.786 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.644 2.616 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.146 4.669 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.426 3.853 2.082 1.00 0.00 H new ATOM 577 N PHE A 42 -0.731 3.587 1.472 1.00 0.00 N ATOM 578 CA PHE A 42 -1.660 4.711 1.474 1.00 0.00 C ATOM 579 C PHE A 42 -0.934 6.017 1.780 1.00 0.00 C ATOM 580 O PHE A 42 -0.587 6.293 2.929 1.00 0.00 O ATOM 581 CB PHE A 42 -2.772 4.479 2.500 1.00 0.00 C ATOM 582 CG PHE A 42 -3.573 3.235 2.245 1.00 0.00 C ATOM 583 CD1 PHE A 42 -3.053 1.987 2.546 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.846 3.314 1.705 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.788 0.839 2.314 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.586 2.170 1.470 1.00 0.00 C ATOM 587 CZ PHE A 42 -5.056 0.931 1.774 1.00 0.00 C ATOM 0 H PHE A 42 -0.727 3.042 2.334 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.102 4.787 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.331 4.420 3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.442 5.339 2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.061 1.910 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.265 4.280 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.371 -0.128 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.578 2.245 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.632 0.036 1.590 1.00 0.00 H new ATOM 597 N TYR A 43 -0.707 6.817 0.744 1.00 0.00 N ATOM 598 CA TYR A 43 -0.019 8.093 0.901 1.00 0.00 C ATOM 599 C TYR A 43 -0.970 9.259 0.647 1.00 0.00 C ATOM 600 O TYR A 43 -2.093 9.069 0.183 1.00 0.00 O ATOM 601 CB TYR A 43 1.172 8.175 -0.056 1.00 0.00 C ATOM 602 CG TYR A 43 0.785 8.506 -1.479 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.430 9.800 -1.840 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.772 7.525 -2.463 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.074 10.108 -3.139 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.419 7.824 -3.765 1.00 0.00 C ATOM 607 CZ TYR A 43 0.071 9.116 -4.098 1.00 0.00 C ATOM 608 OH TYR A 43 -0.283 9.417 -5.393 1.00 0.00 O ATOM 0 H TYR A 43 -0.989 6.605 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 43 0.342 8.158 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.868 8.931 0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.702 7.223 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.432 10.579 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.042 6.512 -2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.200 11.119 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.416 7.050 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.232 8.607 -5.943 1.00 0.00 H new ATOM 618 N ALA A 44 -0.509 10.467 0.955 1.00 0.00 N ATOM 619 CA ALA A 44 -1.316 11.665 0.759 1.00 0.00 C ATOM 620 C ALA A 44 -0.514 12.759 0.062 1.00 0.00 C ATOM 621 O ALA A 44 0.525 13.206 0.547 1.00 0.00 O ATOM 622 CB ALA A 44 -1.848 12.168 2.093 1.00 0.00 C ATOM 0 H ALA A 44 0.419 10.642 1.341 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.159 11.404 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.449 13.063 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.464 11.396 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.013 12.406 2.751 1.00 0.00 H new ATOM 628 N PRO A 45 -1.006 13.201 -1.106 1.00 0.00 N ATOM 629 CA PRO A 45 -0.350 14.248 -1.895 1.00 0.00 C ATOM 630 C PRO A 45 -0.436 15.616 -1.228 1.00 0.00 C ATOM 631 O PRO A 45 -0.122 16.637 -1.841 1.00 0.00 O ATOM 632 CB PRO A 45 -1.134 14.243 -3.210 1.00 0.00 C ATOM 633 CG PRO A 45 -2.475 13.704 -2.850 1.00 0.00 C ATOM 634 CD PRO A 45 -2.240 12.713 -1.744 1.00 0.00 C ATOM 0 HA PRO A 45 0.716 14.059 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.210 15.246 -3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.645 13.621 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.142 14.502 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.947 13.226 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.073 12.689 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.120 11.701 -2.130 1.00 0.00 H new ATOM 642 N TRP A 46 -0.864 15.630 0.029 1.00 0.00 N ATOM 643 CA TRP A 46 -0.990 16.875 0.779 1.00 0.00 C ATOM 644 C TRP A 46 -0.078 16.870 2.001 1.00 0.00 C ATOM 645 O TRP A 46 0.199 17.919 2.584 1.00 0.00 O ATOM 646 CB TRP A 46 -2.442 17.088 1.212 1.00 0.00 C ATOM 647 CG TRP A 46 -2.981 15.970 2.052 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.903 15.034 1.678 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.632 15.671 3.409 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.148 14.173 2.720 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.380 14.541 3.792 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.759 16.247 4.335 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.281 13.980 5.063 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.662 15.689 5.595 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.419 14.564 5.950 1.00 0.00 C ATOM 0 H TRP A 46 -1.130 14.794 0.550 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.688 17.695 0.127 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.514 18.021 1.772 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.066 17.200 0.325 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.371 14.979 0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.797 13.387 2.699 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.170 17.113 4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.865 13.114 5.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.991 16.127 6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.320 14.150 6.943 1.00 0.00 H new ATOM 666 N CYS A 47 0.386 15.685 2.382 1.00 0.00 N ATOM 667 CA CYS A 47 1.268 15.545 3.535 1.00 0.00 C ATOM 668 C CYS A 47 2.725 15.756 3.135 1.00 0.00 C ATOM 669 O CYS A 47 3.050 15.826 1.951 1.00 0.00 O ATOM 670 CB CYS A 47 1.096 14.164 4.170 1.00 0.00 C ATOM 671 SG CYS A 47 1.176 14.166 5.976 1.00 0.00 S ATOM 0 H CYS A 47 0.166 14.808 1.910 1.00 0.00 H new ATOM 0 HA CYS A 47 0.996 16.309 4.264 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.136 13.751 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.869 13.500 3.784 1.00 0.00 H new ATOM 0 HG CYS A 47 1.849 13.131 6.382 1.00 0.00 H new ATOM 677 N GLY A 48 3.598 15.859 4.132 1.00 0.00 N ATOM 678 CA GLY A 48 5.010 16.063 3.864 1.00 0.00 C ATOM 679 C GLY A 48 5.782 14.760 3.799 1.00 0.00 C ATOM 680 O GLY A 48 6.188 14.324 2.721 1.00 0.00 O ATOM 0 H GLY A 48 3.353 15.805 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.124 16.597 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.437 16.696 4.642 1.00 0.00 H new ATOM 684 N HIS A 49 5.988 14.138 4.955 1.00 0.00 N ATOM 685 CA HIS A 49 6.718 12.877 5.026 1.00 0.00 C ATOM 686 C HIS A 49 6.337 11.963 3.865 1.00 0.00 C ATOM 687 O HIS A 49 7.108 11.086 3.474 1.00 0.00 O ATOM 688 CB HIS A 49 6.441 12.176 6.356 1.00 0.00 C ATOM 689 CG HIS A 49 4.993 12.172 6.740 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.544 12.565 7.983 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.891 11.822 6.036 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.228 12.455 8.028 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.807 12.006 6.859 1.00 0.00 N ATOM 0 H HIS A 49 5.660 14.486 5.856 1.00 0.00 H new ATOM 0 HA HIS A 49 7.783 13.098 4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.795 11.147 6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.016 12.666 7.142 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.135 12.890 8.748 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.868 11.465 5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.603 12.692 8.876 1.00 0.00 H new ATOM 702 N CYS A 50 5.143 12.173 3.321 1.00 0.00 N ATOM 703 CA CYS A 50 4.659 11.366 2.206 1.00 0.00 C ATOM 704 C CYS A 50 5.382 11.733 0.915 1.00 0.00 C ATOM 705 O CYS A 50 6.015 10.886 0.286 1.00 0.00 O ATOM 706 CB CYS A 50 3.151 11.554 2.032 1.00 0.00 C ATOM 707 SG CYS A 50 2.580 11.389 0.324 1.00 0.00 S ATOM 0 H CYS A 50 4.493 12.894 3.633 1.00 0.00 H new ATOM 0 HA CYS A 50 4.864 10.319 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.631 10.823 2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.873 12.540 2.403 1.00 0.00 H new ATOM 0 HG CYS A 50 1.856 12.421 0.007 1.00 0.00 H new ATOM 713 N GLN A 51 5.282 13.000 0.526 1.00 0.00 N ATOM 714 CA GLN A 51 5.925 13.478 -0.693 1.00 0.00 C ATOM 715 C GLN A 51 7.409 13.126 -0.698 1.00 0.00 C ATOM 716 O GLN A 51 8.064 13.175 -1.740 1.00 0.00 O ATOM 717 CB GLN A 51 5.747 14.991 -0.829 1.00 0.00 C ATOM 718 CG GLN A 51 4.294 15.437 -0.798 1.00 0.00 C ATOM 719 CD GLN A 51 4.127 16.843 -0.256 1.00 0.00 C ATOM 720 OE1 GLN A 51 5.098 17.486 0.146 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.892 17.330 -0.241 1.00 0.00 N ATOM 0 H GLN A 51 4.762 13.714 1.037 1.00 0.00 H new ATOM 0 HA GLN A 51 5.450 12.986 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.288 15.486 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.199 15.319 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.881 15.389 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.718 14.744 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.116 16.763 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.719 18.271 0.113 1.00 0.00 H new ATOM 730 N ARG A 52 7.933 12.771 0.470 1.00 0.00 N ATOM 731 CA ARG A 52 9.340 12.413 0.600 1.00 0.00 C ATOM 732 C ARG A 52 9.533 10.906 0.453 1.00 0.00 C ATOM 733 O ARG A 52 10.622 10.439 0.118 1.00 0.00 O ATOM 734 CB ARG A 52 9.885 12.879 1.951 1.00 0.00 C ATOM 735 CG ARG A 52 9.571 14.332 2.266 1.00 0.00 C ATOM 736 CD ARG A 52 10.622 14.944 3.179 1.00 0.00 C ATOM 737 NE ARG A 52 10.707 16.393 3.022 1.00 0.00 N ATOM 738 CZ ARG A 52 11.745 17.117 3.427 1.00 0.00 C ATOM 739 NH1 ARG A 52 12.780 16.529 4.010 1.00 0.00 N ATOM 740 NH2 ARG A 52 11.749 18.432 3.248 1.00 0.00 N ATOM 0 H ARG A 52 7.404 12.724 1.341 1.00 0.00 H new ATOM 0 HA ARG A 52 9.891 12.912 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.471 12.248 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.966 12.738 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.516 14.903 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.592 14.399 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.385 14.705 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.593 14.499 2.963 1.00 0.00 H new ATOM 0 HE ARG A 52 9.927 16.876 2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.781 15.518 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.576 17.087 4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.955 18.888 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.546 18.987 3.559 1.00 0.00 H new ATOM 754 N LEU A 53 8.470 10.152 0.708 1.00 0.00 N ATOM 755 CA LEU A 53 8.522 8.697 0.605 1.00 0.00 C ATOM 756 C LEU A 53 8.220 8.241 -0.819 1.00 0.00 C ATOM 757 O LEU A 53 8.154 7.043 -1.098 1.00 0.00 O ATOM 758 CB LEU A 53 7.527 8.062 1.578 1.00 0.00 C ATOM 759 CG LEU A 53 7.583 6.538 1.696 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.955 6.090 2.177 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.496 6.035 2.633 1.00 0.00 C ATOM 0 H LEU A 53 7.562 10.523 0.987 1.00 0.00 H new ATOM 0 HA LEU A 53 9.530 8.374 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.693 8.489 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.520 8.346 1.273 1.00 0.00 H new ATOM 0 HG LEU A 53 7.409 6.110 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.976 5.003 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.714 6.418 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.159 6.528 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.551 4.949 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.637 6.471 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.519 6.324 2.245 1.00 0.00 H new ATOM 773 N THR A 54 8.038 9.204 -1.717 1.00 0.00 N ATOM 774 CA THR A 54 7.744 8.902 -3.113 1.00 0.00 C ATOM 775 C THR A 54 8.914 8.186 -3.778 1.00 0.00 C ATOM 776 O THR A 54 8.758 7.133 -4.397 1.00 0.00 O ATOM 777 CB THR A 54 7.419 10.180 -3.908 1.00 0.00 C ATOM 778 OG1 THR A 54 6.941 11.199 -3.023 1.00 0.00 O ATOM 779 CG2 THR A 54 6.376 9.901 -4.979 1.00 0.00 C ATOM 0 H THR A 54 8.089 10.200 -1.503 1.00 0.00 H new ATOM 0 HA THR A 54 6.871 8.249 -3.118 1.00 0.00 H new ATOM 0 HB THR A 54 8.333 10.521 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.650 11.858 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.163 10.819 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.755 9.146 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.461 9.538 -4.510 1.00 0.00 H new ATOM 787 N PRO A 55 10.115 8.768 -3.650 1.00 0.00 N ATOM 788 CA PRO A 55 11.336 8.201 -4.231 1.00 0.00 C ATOM 789 C PRO A 55 11.772 6.920 -3.529 1.00 0.00 C ATOM 790 O PRO A 55 12.446 6.077 -4.120 1.00 0.00 O ATOM 791 CB PRO A 55 12.374 9.306 -4.022 1.00 0.00 C ATOM 792 CG PRO A 55 11.876 10.078 -2.849 1.00 0.00 C ATOM 793 CD PRO A 55 10.375 10.024 -2.926 1.00 0.00 C ATOM 0 HA PRO A 55 11.198 7.919 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.363 8.889 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.461 9.940 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.235 9.645 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.232 11.108 -2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.922 10.017 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.969 10.885 -3.457 1.00 0.00 H new ATOM 801 N GLU A 56 11.383 6.781 -2.266 1.00 0.00 N ATOM 802 CA GLU A 56 11.735 5.602 -1.484 1.00 0.00 C ATOM 803 C GLU A 56 10.816 4.431 -1.820 1.00 0.00 C ATOM 804 O GLU A 56 11.248 3.279 -1.858 1.00 0.00 O ATOM 805 CB GLU A 56 11.657 5.912 0.012 1.00 0.00 C ATOM 806 CG GLU A 56 12.652 6.966 0.468 1.00 0.00 C ATOM 807 CD GLU A 56 14.078 6.451 0.490 1.00 0.00 C ATOM 808 OE1 GLU A 56 14.515 5.872 -0.527 1.00 0.00 O ATOM 809 OE2 GLU A 56 14.757 6.627 1.523 1.00 0.00 O ATOM 0 H GLU A 56 10.824 7.470 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 56 12.758 5.323 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.648 6.248 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.830 4.994 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.591 7.829 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.379 7.311 1.465 1.00 0.00 H new ATOM 816 N TRP A 57 9.546 4.735 -2.062 1.00 0.00 N ATOM 817 CA TRP A 57 8.564 3.709 -2.395 1.00 0.00 C ATOM 818 C TRP A 57 8.735 3.238 -3.835 1.00 0.00 C ATOM 819 O TRP A 57 8.594 2.052 -4.132 1.00 0.00 O ATOM 820 CB TRP A 57 7.146 4.243 -2.185 1.00 0.00 C ATOM 821 CG TRP A 57 6.098 3.172 -2.211 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.007 3.113 -3.031 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.042 2.008 -1.380 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.276 1.982 -2.759 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.890 1.287 -1.751 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.853 1.503 -0.360 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.531 0.090 -1.136 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.495 0.315 0.249 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.343 -0.381 -0.140 1.00 0.00 C ATOM 0 H TRP A 57 9.172 5.683 -2.034 1.00 0.00 H new ATOM 0 HA TRP A 57 8.726 2.858 -1.733 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.100 4.764 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.924 4.978 -2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.756 3.847 -3.782 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.415 1.705 -3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.743 2.032 -0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.643 -0.448 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.114 -0.084 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.091 -1.307 0.356 1.00 0.00 H new ATOM 840 N LYS A 58 9.041 4.175 -4.727 1.00 0.00 N ATOM 841 CA LYS A 58 9.233 3.856 -6.136 1.00 0.00 C ATOM 842 C LYS A 58 10.406 2.898 -6.323 1.00 0.00 C ATOM 843 O LYS A 58 10.299 1.901 -7.037 1.00 0.00 O ATOM 844 CB LYS A 58 9.473 5.135 -6.942 1.00 0.00 C ATOM 845 CG LYS A 58 8.195 5.843 -7.354 1.00 0.00 C ATOM 846 CD LYS A 58 8.487 7.095 -8.164 1.00 0.00 C ATOM 847 CE LYS A 58 7.305 8.052 -8.157 1.00 0.00 C ATOM 848 NZ LYS A 58 7.705 9.431 -8.553 1.00 0.00 N ATOM 0 H LYS A 58 9.161 5.162 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 58 8.328 3.369 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.082 5.818 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.046 4.889 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.576 5.165 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.623 6.109 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.365 7.597 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.726 6.818 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.538 7.686 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.862 8.074 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.871 10.053 -8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.419 9.790 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.105 9.414 -9.513 1.00 0.00 H new ATOM 862 N LYS A 59 11.524 3.205 -5.674 1.00 0.00 N ATOM 863 CA LYS A 59 12.716 2.371 -5.765 1.00 0.00 C ATOM 864 C LYS A 59 12.371 0.903 -5.536 1.00 0.00 C ATOM 865 O LYS A 59 12.742 0.037 -6.328 1.00 0.00 O ATOM 866 CB LYS A 59 13.761 2.826 -4.744 1.00 0.00 C ATOM 867 CG LYS A 59 14.697 3.901 -5.269 1.00 0.00 C ATOM 868 CD LYS A 59 15.764 4.259 -4.249 1.00 0.00 C ATOM 869 CE LYS A 59 15.302 5.378 -3.328 1.00 0.00 C ATOM 870 NZ LYS A 59 15.370 6.708 -3.995 1.00 0.00 N ATOM 0 H LYS A 59 11.629 4.026 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 59 13.128 2.477 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.251 3.202 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.350 1.964 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.172 3.554 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.123 4.792 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.013 3.378 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.674 4.564 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.279 5.185 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.921 5.389 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.749 7.411 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.992 6.648 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.417 6.995 -4.296 1.00 0.00 H new ATOM 884 N ALA A 60 11.658 0.630 -4.448 1.00 0.00 N ATOM 885 CA ALA A 60 11.261 -0.733 -4.117 1.00 0.00 C ATOM 886 C ALA A 60 10.373 -1.325 -5.206 1.00 0.00 C ATOM 887 O ALA A 60 10.427 -2.524 -5.480 1.00 0.00 O ATOM 888 CB ALA A 60 10.545 -0.763 -2.775 1.00 0.00 C ATOM 0 H ALA A 60 11.344 1.335 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 60 12.163 -1.342 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.254 -1.787 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.212 -0.388 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.655 -0.135 -2.823 1.00 0.00 H new ATOM 894 N ALA A 61 9.556 -0.478 -5.823 1.00 0.00 N ATOM 895 CA ALA A 61 8.657 -0.918 -6.883 1.00 0.00 C ATOM 896 C ALA A 61 9.438 -1.375 -8.110 1.00 0.00 C ATOM 897 O ALA A 61 9.005 -2.269 -8.838 1.00 0.00 O ATOM 898 CB ALA A 61 7.692 0.198 -7.254 1.00 0.00 C ATOM 0 H ALA A 61 9.498 0.517 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 61 8.085 -1.768 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.027 -0.145 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.103 0.475 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.254 1.065 -7.602 1.00 0.00 H new ATOM 904 N THR A 62 10.592 -0.755 -8.336 1.00 0.00 N ATOM 905 CA THR A 62 11.433 -1.096 -9.477 1.00 0.00 C ATOM 906 C THR A 62 12.017 -2.496 -9.330 1.00 0.00 C ATOM 907 O THR A 62 12.019 -3.281 -10.278 1.00 0.00 O ATOM 908 CB THR A 62 12.584 -0.087 -9.648 1.00 0.00 C ATOM 909 OG1 THR A 62 12.070 1.250 -9.640 1.00 0.00 O ATOM 910 CG2 THR A 62 13.336 -0.339 -10.946 1.00 0.00 C ATOM 0 H THR A 62 10.966 -0.014 -7.744 1.00 0.00 H new ATOM 0 HA THR A 62 10.796 -1.062 -10.361 1.00 0.00 H new ATOM 0 HB THR A 62 13.276 -0.214 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.786 1.497 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.144 0.386 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.751 -1.347 -10.936 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.652 -0.237 -11.788 1.00 0.00 H new ATOM 918 N ALA A 63 12.513 -2.803 -8.136 1.00 0.00 N ATOM 919 CA ALA A 63 13.097 -4.110 -7.864 1.00 0.00 C ATOM 920 C ALA A 63 12.016 -5.175 -7.713 1.00 0.00 C ATOM 921 O ALA A 63 12.122 -6.266 -8.274 1.00 0.00 O ATOM 922 CB ALA A 63 13.963 -4.052 -6.614 1.00 0.00 C ATOM 0 H ALA A 63 12.522 -2.164 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 63 13.723 -4.384 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.393 -5.035 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.765 -3.328 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.353 -3.751 -5.762 1.00 0.00 H new ATOM 928 N LEU A 64 10.977 -4.851 -6.951 1.00 0.00 N ATOM 929 CA LEU A 64 9.875 -5.780 -6.724 1.00 0.00 C ATOM 930 C LEU A 64 8.835 -5.672 -7.835 1.00 0.00 C ATOM 931 O LEU A 64 7.755 -6.256 -7.747 1.00 0.00 O ATOM 932 CB LEU A 64 9.222 -5.507 -5.369 1.00 0.00 C ATOM 933 CG LEU A 64 10.174 -5.175 -4.219 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.478 -4.305 -3.184 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.701 -6.450 -3.579 1.00 0.00 C ATOM 0 H LEU A 64 10.874 -3.952 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 64 10.279 -6.792 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.523 -4.679 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.636 -6.382 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 64 11.020 -4.618 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.171 -4.079 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.150 -3.376 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.613 -4.835 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.377 -6.195 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.867 -7.034 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.238 -7.036 -4.325 1.00 0.00 H new ATOM 947 N LYS A 65 9.169 -4.923 -8.880 1.00 0.00 N ATOM 948 CA LYS A 65 8.266 -4.741 -10.011 1.00 0.00 C ATOM 949 C LYS A 65 7.740 -6.083 -10.509 1.00 0.00 C ATOM 950 O LYS A 65 6.540 -6.249 -10.724 1.00 0.00 O ATOM 951 CB LYS A 65 8.981 -4.007 -11.147 1.00 0.00 C ATOM 952 CG LYS A 65 8.339 -4.219 -12.507 1.00 0.00 C ATOM 953 CD LYS A 65 9.079 -3.463 -13.598 1.00 0.00 C ATOM 954 CE LYS A 65 8.617 -2.017 -13.686 1.00 0.00 C ATOM 955 NZ LYS A 65 7.247 -1.907 -14.258 1.00 0.00 N ATOM 0 H LYS A 65 10.059 -4.432 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 65 7.420 -4.142 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.998 -2.940 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.018 -4.341 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.329 -5.283 -12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.300 -3.890 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.150 -3.492 -13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.919 -3.956 -14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.633 -1.570 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.315 -1.450 -14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.084 -0.933 -14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.152 -2.561 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.546 -2.150 -13.529 1.00 0.00 H new ATOM 969 N ASP A 66 8.646 -7.038 -10.690 1.00 0.00 N ATOM 970 CA ASP A 66 8.273 -8.366 -11.161 1.00 0.00 C ATOM 971 C ASP A 66 8.109 -9.331 -9.991 1.00 0.00 C ATOM 972 O ASP A 66 7.463 -10.371 -10.117 1.00 0.00 O ATOM 973 CB ASP A 66 9.326 -8.900 -12.135 1.00 0.00 C ATOM 974 CG ASP A 66 9.149 -8.350 -13.537 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.559 -7.258 -13.676 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.601 -9.011 -14.494 1.00 0.00 O ATOM 0 H ASP A 66 9.644 -6.917 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 66 7.318 -8.286 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.320 -8.641 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.271 -9.988 -12.165 1.00 0.00 H new ATOM 981 N VAL A 67 8.700 -8.980 -8.854 1.00 0.00 N ATOM 982 CA VAL A 67 8.620 -9.815 -7.661 1.00 0.00 C ATOM 983 C VAL A 67 7.323 -9.563 -6.901 1.00 0.00 C ATOM 984 O VAL A 67 6.445 -10.425 -6.846 1.00 0.00 O ATOM 985 CB VAL A 67 9.812 -9.563 -6.719 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.065 -10.779 -5.841 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.056 -9.204 -7.517 1.00 0.00 C ATOM 0 H VAL A 67 9.240 -8.123 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 67 8.645 -10.852 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 67 9.568 -8.721 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.911 -10.582 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.178 -10.986 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.287 -11.642 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.888 -9.029 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.305 -10.024 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.868 -8.301 -8.098 1.00 0.00 H new ATOM 997 N VAL A 68 7.208 -8.376 -6.314 1.00 0.00 N ATOM 998 CA VAL A 68 6.017 -8.009 -5.557 1.00 0.00 C ATOM 999 C VAL A 68 5.362 -6.759 -6.135 1.00 0.00 C ATOM 1000 O VAL A 68 5.976 -5.694 -6.194 1.00 0.00 O ATOM 1001 CB VAL A 68 6.349 -7.762 -4.073 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.106 -7.323 -3.314 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.951 -9.011 -3.448 1.00 0.00 C ATOM 0 H VAL A 68 7.925 -7.652 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 68 5.324 -8.847 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 68 7.085 -6.961 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.360 -7.153 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.721 -6.400 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.345 -8.101 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.180 -8.819 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.239 -9.833 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.867 -9.277 -3.976 1.00 0.00 H new ATOM 1013 N LYS A 69 4.111 -6.896 -6.560 1.00 0.00 N ATOM 1014 CA LYS A 69 3.370 -5.778 -7.132 1.00 0.00 C ATOM 1015 C LYS A 69 3.253 -4.633 -6.130 1.00 0.00 C ATOM 1016 O LYS A 69 2.402 -4.657 -5.241 1.00 0.00 O ATOM 1017 CB LYS A 69 1.975 -6.233 -7.566 1.00 0.00 C ATOM 1018 CG LYS A 69 1.982 -7.130 -8.792 1.00 0.00 C ATOM 1019 CD LYS A 69 2.009 -6.318 -10.076 1.00 0.00 C ATOM 1020 CE LYS A 69 2.426 -7.170 -11.266 1.00 0.00 C ATOM 1021 NZ LYS A 69 2.510 -6.369 -12.519 1.00 0.00 N ATOM 0 H LYS A 69 3.588 -7.771 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 69 3.917 -5.420 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.502 -6.764 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.363 -5.355 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.851 -7.788 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.098 -7.768 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.022 -5.893 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.700 -5.483 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.394 -7.629 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.710 -7.981 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.797 -6.985 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.581 -5.951 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.211 -5.610 -12.400 1.00 0.00 H new ATOM 1035 N VAL A 70 4.114 -3.632 -6.281 1.00 0.00 N ATOM 1036 CA VAL A 70 4.106 -2.476 -5.391 1.00 0.00 C ATOM 1037 C VAL A 70 3.235 -1.357 -5.952 1.00 0.00 C ATOM 1038 O VAL A 70 3.662 -0.602 -6.824 1.00 0.00 O ATOM 1039 CB VAL A 70 5.529 -1.937 -5.159 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.496 -0.711 -4.259 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.419 -3.019 -4.566 1.00 0.00 C ATOM 0 H VAL A 70 4.826 -3.598 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 70 3.693 -2.811 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 70 5.947 -1.641 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.511 -0.344 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.895 0.068 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.058 -0.977 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.421 -2.620 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.006 -3.348 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.469 -3.865 -5.251 1.00 0.00 H new ATOM 1051 N GLY A 71 2.010 -1.257 -5.444 1.00 0.00 N ATOM 1052 CA GLY A 71 1.098 -0.227 -5.905 1.00 0.00 C ATOM 1053 C GLY A 71 1.156 1.024 -5.050 1.00 0.00 C ATOM 1054 O GLY A 71 2.123 1.241 -4.321 1.00 0.00 O ATOM 0 H GLY A 71 1.633 -1.871 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.337 0.030 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.081 -0.619 -5.902 1.00 0.00 H new ATOM 1058 N ALA A 72 0.118 1.849 -5.141 1.00 0.00 N ATOM 1059 CA ALA A 72 0.054 3.084 -4.370 1.00 0.00 C ATOM 1060 C ALA A 72 -1.345 3.689 -4.417 1.00 0.00 C ATOM 1061 O ALA A 72 -1.876 3.967 -5.493 1.00 0.00 O ATOM 1062 CB ALA A 72 1.081 4.082 -4.886 1.00 0.00 C ATOM 0 H ALA A 72 -0.690 1.684 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 72 0.284 2.847 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.022 5.000 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.080 3.656 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.877 4.305 -5.933 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.937 3.891 -3.245 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.275 4.464 -3.153 1.00 0.00 C ATOM 1070 C VAL A 73 -3.250 5.803 -2.424 1.00 0.00 C ATOM 1071 O VAL A 73 -2.718 5.910 -1.320 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.244 3.513 -2.424 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.396 4.293 -1.810 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.759 2.446 -3.377 1.00 0.00 C ATOM 0 H VAL A 73 -1.512 3.667 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.626 4.616 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.703 3.017 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.070 3.605 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.005 5.016 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.940 4.818 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.442 1.783 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.285 2.921 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.920 1.868 -3.764 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.831 6.822 -3.050 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.876 8.155 -2.460 1.00 0.00 C ATOM 1086 C ASN A 74 -4.963 8.242 -1.393 1.00 0.00 C ATOM 1087 O ASN A 74 -6.125 8.509 -1.697 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.124 9.206 -3.544 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.275 10.602 -2.972 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.061 10.823 -1.780 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.646 11.553 -3.822 1.00 0.00 N ATOM 0 H ASN A 74 -4.277 6.750 -3.965 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.913 8.349 -1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.297 9.195 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.024 8.945 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.764 12.512 -3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.813 11.324 -4.802 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.576 8.015 -0.142 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.516 8.070 0.970 1.00 0.00 C ATOM 1100 C ALA A 75 -6.402 9.308 0.879 1.00 0.00 C ATOM 1101 O ALA A 75 -7.592 9.255 1.190 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.768 8.051 2.295 1.00 0.00 C ATOM 0 H ALA A 75 -3.618 7.791 0.126 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.158 7.191 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.483 8.093 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.183 7.135 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.102 8.912 2.349 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.815 10.420 0.450 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.552 11.671 0.318 1.00 0.00 C ATOM 1110 C ASP A 76 -7.680 11.532 -0.701 1.00 0.00 C ATOM 1111 O ASP A 76 -8.802 11.980 -0.466 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.610 12.801 -0.098 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.325 14.131 -0.236 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -7.124 14.470 0.662 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.087 14.831 -1.242 1.00 0.00 O ATOM 0 H ASP A 76 -4.831 10.480 0.188 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.989 11.911 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.813 12.895 0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.138 12.546 -1.047 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.373 10.910 -1.834 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.359 10.712 -2.890 1.00 0.00 C ATOM 1122 C LYS A 77 -9.204 9.471 -2.618 1.00 0.00 C ATOM 1123 O LYS A 77 -10.426 9.555 -2.494 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.665 10.582 -4.247 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.572 10.060 -5.347 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.772 9.476 -6.500 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.353 10.553 -7.489 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.528 11.190 -8.146 1.00 0.00 N ATOM 0 H LYS A 77 -6.449 10.534 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.016 11.582 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.275 11.557 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.810 9.914 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.236 9.297 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.203 10.869 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.887 8.973 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.369 8.722 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.769 11.314 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.705 10.116 -8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.246 11.566 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.280 10.483 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.880 11.967 -7.551 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.545 8.320 -2.526 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.236 7.062 -2.267 1.00 0.00 C ATOM 1144 C HIS A 78 -9.504 6.886 -0.775 1.00 0.00 C ATOM 1145 O HIS A 78 -9.367 5.788 -0.237 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.412 5.886 -2.791 1.00 0.00 C ATOM 1147 CG HIS A 78 -8.026 6.020 -4.232 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -8.897 6.456 -5.208 1.00 0.00 N ATOM 1149 CD2 HIS A 78 -6.852 5.775 -4.861 1.00 0.00 C ATOM 1150 CE1 HIS A 78 -8.278 6.471 -6.374 1.00 0.00 C ATOM 1151 NE2 HIS A 78 -7.035 6.063 -6.191 1.00 0.00 N ATOM 0 H HIS A 78 -7.534 8.233 -2.627 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.192 7.087 -2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.509 5.789 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.982 4.966 -2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.941 5.419 -4.402 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.714 6.767 -7.317 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.326 5.976 -6.919 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.885 7.975 -0.115 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.170 7.940 1.314 1.00 0.00 C ATOM 1162 C GLN A 79 -10.937 6.675 1.686 1.00 0.00 C ATOM 1163 O GLN A 79 -10.777 6.140 2.783 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.971 9.176 1.727 1.00 0.00 C ATOM 1165 CG GLN A 79 -10.109 10.404 1.977 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.136 10.210 3.123 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -9.129 9.166 3.777 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.308 11.217 3.374 1.00 0.00 N ATOM 0 H GLN A 79 -10.003 8.891 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.220 7.937 1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.698 9.405 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.535 8.948 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.554 10.644 1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.752 11.257 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.348 12.064 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.632 11.144 4.134 1.00 0.00 H new ATOM 1177 N SER A 80 -11.771 6.203 0.765 1.00 0.00 N ATOM 1178 CA SER A 80 -12.567 5.004 0.998 1.00 0.00 C ATOM 1179 C SER A 80 -11.670 3.783 1.175 1.00 0.00 C ATOM 1180 O SER A 80 -11.791 3.046 2.155 1.00 0.00 O ATOM 1181 CB SER A 80 -13.535 4.775 -0.165 1.00 0.00 C ATOM 1182 OG SER A 80 -14.492 5.817 -0.245 1.00 0.00 O ATOM 0 H SER A 80 -11.913 6.633 -0.149 1.00 0.00 H new ATOM 0 HA SER A 80 -13.139 5.150 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.978 4.716 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.043 3.819 -0.036 1.00 0.00 H new ATOM 0 HG SER A 80 -15.097 5.648 -0.997 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.769 3.575 0.221 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.850 2.443 0.270 1.00 0.00 C ATOM 1190 C LEU A 81 -9.115 2.396 1.606 1.00 0.00 C ATOM 1191 O LEU A 81 -9.092 1.365 2.277 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.842 2.530 -0.877 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.390 2.244 -2.275 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.288 2.369 -3.316 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.022 0.861 -2.329 1.00 0.00 C ATOM 0 H LEU A 81 -10.655 4.175 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.433 1.528 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.407 3.529 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.032 1.829 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.160 2.982 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.697 2.162 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.881 3.380 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.495 1.655 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.406 0.676 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.273 0.109 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.840 0.807 -1.611 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.517 3.521 1.987 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.792 3.587 3.242 1.00 0.00 C ATOM 1209 C GLY A 82 -8.681 3.321 4.440 1.00 0.00 C ATOM 1210 O GLY A 82 -8.407 2.425 5.238 1.00 0.00 O ATOM 0 H GLY A 82 -8.522 4.387 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.980 2.860 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.336 4.572 3.343 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.749 4.103 4.569 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.663 3.932 5.682 1.00 0.00 C ATOM 1216 C GLY A 83 -11.336 2.574 5.677 1.00 0.00 C ATOM 1217 O GLY A 83 -11.800 2.101 6.714 1.00 0.00 O ATOM 0 H GLY A 83 -9.997 4.852 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.119 4.061 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.424 4.711 5.646 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.389 1.946 4.507 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.012 0.634 4.372 1.00 0.00 C ATOM 1223 C GLN A 84 -11.124 -0.454 4.967 1.00 0.00 C ATOM 1224 O GLN A 84 -11.547 -1.601 5.116 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.295 0.330 2.900 1.00 0.00 C ATOM 1226 CG GLN A 84 -13.067 -0.962 2.683 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.800 -0.988 1.356 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -15.029 -0.929 1.311 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -13.047 -1.077 0.266 1.00 0.00 N ATOM 0 H GLN A 84 -11.008 2.324 3.639 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.954 0.648 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.859 1.157 2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.349 0.273 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.378 -1.805 2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.785 -1.092 3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.032 -1.124 0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.484 -1.099 -0.655 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.893 -0.087 5.304 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.945 -1.033 5.880 1.00 0.00 C ATOM 1240 C TYR A 85 -8.641 -0.683 7.334 1.00 0.00 C ATOM 1241 O TYR A 85 -8.518 -1.565 8.183 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.649 -1.048 5.066 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.724 -1.908 3.825 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.605 -1.601 2.795 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.915 -3.028 3.682 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.677 -2.384 1.660 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -6.979 -3.816 2.550 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.862 -3.490 1.541 1.00 0.00 C ATOM 1249 OH TYR A 85 -7.930 -4.274 0.412 1.00 0.00 O ATOM 0 H TYR A 85 -9.528 0.858 5.188 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.397 -2.025 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.400 -0.027 4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.837 -1.407 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.244 -0.735 2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.224 -3.287 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.368 -2.132 0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.342 -4.683 2.455 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.396 -3.866 -0.302 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.523 0.611 7.612 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.235 1.057 8.963 1.00 0.00 C ATOM 1261 C GLY A 86 -7.107 2.068 9.013 1.00 0.00 C ATOM 1262 O GLY A 86 -6.469 2.246 10.050 1.00 0.00 O ATOM 0 H GLY A 86 -8.622 1.359 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.133 1.498 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.974 0.196 9.578 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.859 2.731 7.888 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.799 3.729 7.807 1.00 0.00 C ATOM 1268 C VAL A 87 -6.153 4.972 8.615 1.00 0.00 C ATOM 1269 O VAL A 87 -7.205 5.578 8.412 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.525 4.140 6.348 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.340 5.090 6.274 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.287 2.910 5.484 1.00 0.00 C ATOM 0 H VAL A 87 -7.378 2.595 7.020 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.901 3.272 8.223 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.402 4.661 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.162 5.369 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.554 5.985 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.454 4.598 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.095 3.219 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.427 2.359 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.169 2.270 5.512 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.266 5.348 9.531 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.485 6.520 10.371 1.00 0.00 C ATOM 1284 C GLN A 88 -4.514 7.638 10.008 1.00 0.00 C ATOM 1285 O GLN A 88 -4.907 8.797 9.880 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.329 6.152 11.847 1.00 0.00 C ATOM 1287 CG GLN A 88 -6.602 5.609 12.477 1.00 0.00 C ATOM 1288 CD GLN A 88 -6.677 5.879 13.967 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -6.057 5.178 14.768 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -7.438 6.898 14.347 1.00 0.00 N ATOM 0 H GLN A 88 -4.389 4.858 9.710 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.501 6.875 10.198 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.539 5.408 11.946 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.007 7.034 12.401 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.466 6.058 11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.659 4.535 12.303 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.934 7.452 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.527 7.127 15.337 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.244 7.283 9.843 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.236 8.268 9.497 1.00 0.00 C ATOM 1301 C GLY A 89 -1.253 7.754 8.464 1.00 0.00 C ATOM 1302 O GLY A 89 -0.780 6.621 8.557 1.00 0.00 O ATOM 0 H GLY A 89 -2.895 6.330 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.725 9.164 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.694 8.560 10.396 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.944 8.587 7.476 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.013 8.210 6.420 1.00 0.00 C ATOM 1308 C PHE A 90 1.376 8.782 6.690 1.00 0.00 C ATOM 1309 O PHE A 90 1.548 9.721 7.467 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.523 8.697 5.063 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.002 8.957 5.036 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.900 7.955 5.365 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.494 10.203 4.683 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.262 8.191 5.341 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.854 10.445 4.657 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.739 9.438 4.987 1.00 0.00 C ATOM 0 H PHE A 90 -1.325 9.529 7.385 1.00 0.00 H new ATOM 0 HA PHE A 90 0.058 7.122 6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.004 9.612 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.279 7.954 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.532 6.979 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.806 10.995 4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.952 7.401 5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.224 11.421 4.379 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.803 9.625 4.968 1.00 0.00 H new ATOM 1326 N PRO A 91 2.392 8.202 6.033 1.00 0.00 N ATOM 1327 CA PRO A 91 2.199 7.083 5.106 1.00 0.00 C ATOM 1328 C PRO A 91 1.801 5.798 5.824 1.00 0.00 C ATOM 1329 O PRO A 91 2.221 5.550 6.955 1.00 0.00 O ATOM 1330 CB PRO A 91 3.573 6.925 4.450 1.00 0.00 C ATOM 1331 CG PRO A 91 4.534 7.480 5.445 1.00 0.00 C ATOM 1332 CD PRO A 91 3.807 8.595 6.146 1.00 0.00 C ATOM 0 HA PRO A 91 1.393 7.275 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.789 5.879 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.625 7.466 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.849 6.713 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.434 7.849 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.117 8.685 7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.996 9.558 5.672 1.00 0.00 H new ATOM 1340 N THR A 92 0.988 4.982 5.160 1.00 0.00 N ATOM 1341 CA THR A 92 0.532 3.723 5.735 1.00 0.00 C ATOM 1342 C THR A 92 0.721 2.571 4.755 1.00 0.00 C ATOM 1343 O THR A 92 -0.076 2.390 3.834 1.00 0.00 O ATOM 1344 CB THR A 92 -0.951 3.796 6.144 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.086 4.517 7.373 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.538 2.402 6.301 1.00 0.00 C ATOM 0 H THR A 92 0.632 5.171 4.223 1.00 0.00 H new ATOM 0 HA THR A 92 1.137 3.544 6.624 1.00 0.00 H new ATOM 0 HB THR A 92 -1.497 4.316 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.609 5.370 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.586 2.479 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.461 1.866 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.988 1.860 7.071 1.00 0.00 H new ATOM 1354 N ILE A 93 1.781 1.795 4.959 1.00 0.00 N ATOM 1355 CA ILE A 93 2.072 0.659 4.093 1.00 0.00 C ATOM 1356 C ILE A 93 1.360 -0.599 4.579 1.00 0.00 C ATOM 1357 O ILE A 93 1.299 -0.868 5.779 1.00 0.00 O ATOM 1358 CB ILE A 93 3.586 0.382 4.019 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.327 1.618 3.505 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.861 -0.817 3.124 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.769 1.690 3.959 1.00 0.00 C ATOM 0 H ILE A 93 2.451 1.932 5.715 1.00 0.00 H new ATOM 0 HA ILE A 93 1.709 0.918 3.099 1.00 0.00 H new ATOM 0 HB ILE A 93 3.949 0.154 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.297 1.623 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.803 2.512 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.935 -1.001 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.358 -1.696 3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.487 -0.615 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.232 2.591 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.807 1.717 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.308 0.814 3.599 1.00 0.00 H new ATOM 1373 N LYS A 94 0.824 -1.369 3.638 1.00 0.00 N ATOM 1374 CA LYS A 94 0.119 -2.602 3.967 1.00 0.00 C ATOM 1375 C LYS A 94 0.540 -3.735 3.037 1.00 0.00 C ATOM 1376 O LYS A 94 0.577 -3.568 1.818 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.394 -2.388 3.876 1.00 0.00 C ATOM 1378 CG LYS A 94 -1.978 -1.656 5.072 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.288 -2.611 6.213 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.320 -2.027 7.164 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.544 -2.904 8.347 1.00 0.00 N ATOM 0 H LYS A 94 0.865 -1.160 2.640 1.00 0.00 H new ATOM 0 HA LYS A 94 0.380 -2.879 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.619 -1.824 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.884 -3.357 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.275 -0.896 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.889 -1.137 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.656 -3.554 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.372 -2.834 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.990 -1.043 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.262 -1.884 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.254 -2.471 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.883 -3.835 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.651 -3.020 8.867 1.00 0.00 H new ATOM 1395 N ILE A 95 0.854 -4.887 3.620 1.00 0.00 N ATOM 1396 CA ILE A 95 1.269 -6.048 2.842 1.00 0.00 C ATOM 1397 C ILE A 95 0.086 -6.965 2.549 1.00 0.00 C ATOM 1398 O ILE A 95 -0.753 -7.210 3.416 1.00 0.00 O ATOM 1399 CB ILE A 95 2.360 -6.853 3.572 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.622 -6.005 3.744 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.674 -8.131 2.809 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.511 -6.468 4.877 1.00 0.00 C ATOM 0 H ILE A 95 0.829 -5.041 4.628 1.00 0.00 H new ATOM 0 HA ILE A 95 1.674 -5.671 1.903 1.00 0.00 H new ATOM 0 HB ILE A 95 1.990 -7.124 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.192 -6.023 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.333 -4.969 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.447 -8.689 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.773 -8.740 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.027 -7.880 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.386 -5.821 4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.958 -6.423 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.830 -7.494 4.693 1.00 0.00 H new ATOM 1414 N PHE A 96 0.027 -7.470 1.322 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.053 -8.362 0.913 1.00 0.00 C ATOM 1416 C PHE A 96 -0.509 -9.737 0.536 1.00 0.00 C ATOM 1417 O PHE A 96 0.394 -9.854 -0.291 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.819 -7.762 -0.268 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.743 -6.645 0.123 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.239 -5.415 0.513 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.117 -6.824 0.099 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.086 -4.384 0.873 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -4.970 -5.797 0.458 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.454 -4.576 0.846 1.00 0.00 C ATOM 0 H PHE A 96 0.714 -7.277 0.593 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.734 -8.479 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.105 -7.392 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.397 -8.548 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.170 -5.260 0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.526 -7.777 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.679 -3.430 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.039 -5.949 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.119 -3.773 1.128 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.067 -10.776 1.150 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.626 -12.129 0.867 1.00 0.00 C ATOM 1436 C GLY A 97 -1.597 -13.175 1.380 1.00 0.00 C ATOM 1437 O GLY A 97 -2.541 -13.548 0.684 1.00 0.00 O ATOM 0 H GLY A 97 -1.816 -10.705 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.502 -12.250 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.352 -12.292 1.321 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.364 -13.649 2.599 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.225 -14.657 3.204 1.00 0.00 C ATOM 1443 C ALA A 98 -3.695 -14.366 2.920 1.00 0.00 C ATOM 1444 O ALA A 98 -4.346 -15.088 2.166 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.980 -14.730 4.704 1.00 0.00 C ATOM 0 H ALA A 98 -0.586 -13.351 3.187 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.980 -15.622 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.630 -15.487 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.939 -14.994 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.195 -13.761 5.155 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.211 -13.304 3.529 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.605 -12.918 3.343 1.00 0.00 C ATOM 1453 C ASN A 99 -5.707 -11.583 2.610 1.00 0.00 C ATOM 1454 O ASN A 99 -5.570 -10.519 3.213 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.316 -12.825 4.694 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.815 -12.652 4.548 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.403 -13.056 3.545 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.441 -12.047 5.552 1.00 0.00 N ATOM 0 H ASN A 99 -3.685 -12.695 4.156 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.089 -13.684 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.112 -13.726 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.909 -11.986 5.258 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.450 -11.901 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.913 -11.728 6.364 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.949 -11.648 1.305 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.071 -10.447 0.488 1.00 0.00 C ATOM 1467 C LYS A 100 -7.124 -9.504 1.062 1.00 0.00 C ATOM 1468 O LYS A 100 -7.121 -8.308 0.775 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.434 -10.818 -0.951 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.239 -11.228 -1.794 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.211 -10.113 -1.883 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.227 -10.351 -3.018 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.309 -11.487 -2.728 1.00 0.00 N ATOM 0 H LYS A 100 -6.065 -12.521 0.790 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.108 -9.936 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.155 -11.636 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.926 -9.968 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.777 -12.117 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.574 -11.496 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.718 -9.160 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.669 -10.040 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.776 -10.553 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.643 -9.446 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.872 -11.815 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.567 -11.174 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.847 -12.267 -2.298 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.021 -10.051 1.875 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.079 -9.257 2.491 1.00 0.00 C ATOM 1489 C ASN A 101 -8.557 -8.508 3.713 1.00 0.00 C ATOM 1490 O ASN A 101 -9.055 -7.437 4.059 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.251 -10.155 2.891 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.045 -10.639 1.693 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -10.967 -10.062 0.608 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.814 -11.704 1.884 1.00 0.00 N ATOM 0 H ASN A 101 -8.037 -11.040 2.123 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.423 -8.526 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.874 -11.015 3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.911 -9.608 3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.371 -12.076 1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.848 -12.151 2.800 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.549 -9.079 4.363 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.956 -8.466 5.546 1.00 0.00 C ATOM 1503 C LYS A 102 -5.433 -8.510 5.476 1.00 0.00 C ATOM 1504 O LYS A 102 -4.798 -9.499 5.843 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.439 -9.179 6.811 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.949 -9.331 6.885 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.393 -9.827 8.250 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.395 -11.346 8.318 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.290 -11.852 9.396 1.00 0.00 N ATOM 0 H LYS A 102 -7.125 -9.966 4.091 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.271 -7.423 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.980 -10.167 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.095 -8.625 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.423 -8.372 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.283 -10.028 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.729 -9.428 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.393 -9.451 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.716 -11.752 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.380 -11.703 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.264 -12.892 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.969 -11.485 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.264 -11.533 9.217 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.830 -7.412 4.995 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.374 -7.300 4.867 1.00 0.00 C ATOM 1525 C PRO A 103 -2.679 -7.207 6.221 1.00 0.00 C ATOM 1526 O PRO A 103 -3.332 -7.081 7.257 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.186 -6.002 4.079 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.409 -5.202 4.370 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.524 -6.196 4.538 1.00 0.00 C ATOM 0 HA PRO A 103 -2.939 -8.175 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.285 -5.475 4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.086 -6.198 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.279 -4.605 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.624 -4.508 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.260 -5.855 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.057 -6.365 3.602 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.351 -7.270 6.206 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.569 -7.193 7.434 1.00 0.00 C ATOM 1539 C GLU A 104 0.008 -5.793 7.624 1.00 0.00 C ATOM 1540 O GLU A 104 0.182 -5.045 6.662 1.00 0.00 O ATOM 1541 CB GLU A 104 0.561 -8.224 7.411 1.00 0.00 C ATOM 1542 CG GLU A 104 0.086 -9.653 7.609 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.224 -9.969 9.059 1.00 0.00 C ATOM 1544 OE1 GLU A 104 0.504 -9.469 9.943 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -1.193 -10.715 9.311 1.00 0.00 O ATOM 0 H GLU A 104 -0.795 -7.374 5.357 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.232 -7.411 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.086 -8.153 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.281 -7.978 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.806 -9.822 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.851 -10.340 7.247 1.00 0.00 H new ATOM 1552 N ASP A 105 0.303 -5.446 8.872 1.00 0.00 N ATOM 1553 CA ASP A 105 0.861 -4.136 9.190 1.00 0.00 C ATOM 1554 C ASP A 105 2.345 -4.079 8.841 1.00 0.00 C ATOM 1555 O ASP A 105 3.169 -4.737 9.478 1.00 0.00 O ATOM 1556 CB ASP A 105 0.660 -3.819 10.673 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.805 -3.731 11.053 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.418 -4.791 11.296 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.338 -2.603 11.106 1.00 0.00 O ATOM 0 H ASP A 105 0.165 -6.053 9.680 1.00 0.00 H new ATOM 0 HA ASP A 105 0.337 -3.390 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.143 -4.589 11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.151 -2.875 10.910 1.00 0.00 H new ATOM 1564 N TYR A 106 2.679 -3.290 7.826 1.00 0.00 N ATOM 1565 CA TYR A 106 4.063 -3.150 7.390 1.00 0.00 C ATOM 1566 C TYR A 106 4.920 -2.529 8.489 1.00 0.00 C ATOM 1567 O TYR A 106 4.886 -1.319 8.708 1.00 0.00 O ATOM 1568 CB TYR A 106 4.137 -2.293 6.125 1.00 0.00 C ATOM 1569 CG TYR A 106 5.537 -2.148 5.573 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.395 -1.165 6.053 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.002 -2.991 4.572 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.675 -1.028 5.551 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.281 -2.862 4.066 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.113 -1.879 4.558 1.00 0.00 C ATOM 1575 OH TYR A 106 9.387 -1.747 4.056 1.00 0.00 O ATOM 0 H TYR A 106 2.010 -2.738 7.290 1.00 0.00 H new ATOM 0 HA TYR A 106 4.450 -4.145 7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.498 -2.733 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.737 -1.303 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.055 -0.497 6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.352 -3.761 4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.329 -0.259 5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.627 -3.528 3.289 1.00 0.00 H new ATOM 0 HH TYR A 106 9.933 -2.509 4.344 1.00 0.00 H new ATOM 1654 N GLY A 112 13.508 2.430 0.103 1.00 0.00 N ATOM 1655 CA GLY A 112 13.506 1.587 -1.078 1.00 0.00 C ATOM 1656 C GLY A 112 14.214 0.266 -0.850 1.00 0.00 C ATOM 1657 O GLY A 112 13.775 -0.773 -1.343 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.477 1.396 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.988 2.117 -1.899 1.00 0.00 H new ATOM 1661 N GLU A 113 15.312 0.307 -0.102 1.00 0.00 N ATOM 1662 CA GLU A 113 16.083 -0.896 0.187 1.00 0.00 C ATOM 1663 C GLU A 113 15.311 -1.826 1.118 1.00 0.00 C ATOM 1664 O GLU A 113 15.065 -2.987 0.790 1.00 0.00 O ATOM 1665 CB GLU A 113 17.428 -0.528 0.817 1.00 0.00 C ATOM 1666 CG GLU A 113 17.936 0.844 0.407 1.00 0.00 C ATOM 1667 CD GLU A 113 19.450 0.928 0.404 1.00 0.00 C ATOM 1668 OE1 GLU A 113 20.102 -0.122 0.225 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.983 2.044 0.581 1.00 0.00 O ATOM 0 H GLU A 113 15.687 1.159 0.314 1.00 0.00 H new ATOM 0 HA GLU A 113 16.261 -1.417 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.333 -0.562 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.168 -1.278 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.560 1.084 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.535 1.594 1.089 1.00 0.00 H new ATOM 1676 N ALA A 114 14.932 -1.308 2.282 1.00 0.00 N ATOM 1677 CA ALA A 114 14.186 -2.090 3.260 1.00 0.00 C ATOM 1678 C ALA A 114 12.960 -2.737 2.627 1.00 0.00 C ATOM 1679 O ALA A 114 12.761 -3.948 2.731 1.00 0.00 O ATOM 1680 CB ALA A 114 13.777 -1.214 4.435 1.00 0.00 C ATOM 0 H ALA A 114 15.130 -0.350 2.570 1.00 0.00 H new ATOM 0 HA ALA A 114 14.836 -2.886 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.221 -1.811 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.668 -0.805 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.149 -0.397 4.079 1.00 0.00 H new ATOM 1686 N ILE A 115 12.139 -1.922 1.972 1.00 0.00 N ATOM 1687 CA ILE A 115 10.932 -2.417 1.321 1.00 0.00 C ATOM 1688 C ILE A 115 11.233 -3.635 0.455 1.00 0.00 C ATOM 1689 O ILE A 115 10.514 -4.633 0.496 1.00 0.00 O ATOM 1690 CB ILE A 115 10.277 -1.329 0.449 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.002 -0.075 1.280 1.00 0.00 C ATOM 1692 CG2 ILE A 115 8.991 -1.852 -0.173 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.115 1.210 0.490 1.00 0.00 C ATOM 0 H ILE A 115 12.288 -0.917 1.878 1.00 0.00 H new ATOM 0 HA ILE A 115 10.240 -2.702 2.114 1.00 0.00 H new ATOM 0 HB ILE A 115 10.965 -1.065 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.001 -0.143 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.702 -0.041 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.540 -1.072 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.214 -2.719 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.296 -2.141 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.907 2.058 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.123 1.301 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.396 1.198 -0.329 1.00 0.00 H new ATOM 1705 N VAL A 116 12.304 -3.546 -0.329 1.00 0.00 N ATOM 1706 CA VAL A 116 12.703 -4.642 -1.203 1.00 0.00 C ATOM 1707 C VAL A 116 12.902 -5.931 -0.414 1.00 0.00 C ATOM 1708 O VAL A 116 12.478 -7.005 -0.842 1.00 0.00 O ATOM 1709 CB VAL A 116 14.003 -4.311 -1.960 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.469 -5.510 -2.772 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.805 -3.097 -2.854 1.00 0.00 C ATOM 0 H VAL A 116 12.910 -2.727 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 116 11.897 -4.782 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 116 14.777 -4.074 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.389 -5.257 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.654 -6.352 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.699 -5.782 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.734 -2.878 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.017 -3.303 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.522 -2.239 -2.245 1.00 0.00 H new ATOM 1721 N ASP A 117 13.547 -5.817 0.741 1.00 0.00 N ATOM 1722 CA ASP A 117 13.801 -6.974 1.593 1.00 0.00 C ATOM 1723 C ASP A 117 12.512 -7.456 2.253 1.00 0.00 C ATOM 1724 O ASP A 117 12.353 -8.644 2.532 1.00 0.00 O ATOM 1725 CB ASP A 117 14.838 -6.628 2.663 1.00 0.00 C ATOM 1726 CG ASP A 117 15.592 -7.849 3.153 1.00 0.00 C ATOM 1727 OD1 ASP A 117 15.042 -8.966 3.054 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.732 -7.687 3.636 1.00 0.00 O ATOM 0 H ASP A 117 13.904 -4.935 1.110 1.00 0.00 H new ATOM 0 HA ASP A 117 14.190 -7.777 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.546 -5.905 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.340 -6.149 3.506 1.00 0.00 H new ATOM 1733 N ALA A 118 11.596 -6.525 2.500 1.00 0.00 N ATOM 1734 CA ALA A 118 10.322 -6.855 3.126 1.00 0.00 C ATOM 1735 C ALA A 118 9.433 -7.650 2.175 1.00 0.00 C ATOM 1736 O ALA A 118 8.876 -8.682 2.548 1.00 0.00 O ATOM 1737 CB ALA A 118 9.612 -5.588 3.579 1.00 0.00 C ATOM 0 H ALA A 118 11.713 -5.537 2.276 1.00 0.00 H new ATOM 0 HA ALA A 118 10.524 -7.476 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.662 -5.850 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.236 -5.059 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.429 -4.946 2.718 1.00 0.00 H new ATOM 1743 N ALA A 119 9.304 -7.163 0.946 1.00 0.00 N ATOM 1744 CA ALA A 119 8.484 -7.829 -0.058 1.00 0.00 C ATOM 1745 C ALA A 119 8.949 -9.264 -0.284 1.00 0.00 C ATOM 1746 O ALA A 119 8.134 -10.179 -0.409 1.00 0.00 O ATOM 1747 CB ALA A 119 8.515 -7.051 -1.366 1.00 0.00 C ATOM 0 H ALA A 119 9.757 -6.309 0.621 1.00 0.00 H new ATOM 0 HA ALA A 119 7.458 -7.861 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.898 -7.560 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.128 -6.046 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.541 -6.990 -1.729 1.00 0.00 H new ATOM 1753 N LEU A 120 10.263 -9.453 -0.335 1.00 0.00 N ATOM 1754 CA LEU A 120 10.837 -10.778 -0.546 1.00 0.00 C ATOM 1755 C LEU A 120 10.499 -11.709 0.614 1.00 0.00 C ATOM 1756 O LEU A 120 9.862 -12.745 0.425 1.00 0.00 O ATOM 1757 CB LEU A 120 12.355 -10.677 -0.709 1.00 0.00 C ATOM 1758 CG LEU A 120 12.849 -9.912 -1.937 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.241 -9.350 -1.691 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.844 -10.811 -3.164 1.00 0.00 C ATOM 0 H LEU A 120 10.951 -8.707 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 120 10.407 -11.193 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.765 -10.199 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.764 -11.687 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 120 12.170 -9.079 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.576 -8.809 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.214 -8.671 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.932 -10.167 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.199 -10.249 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.500 -11.665 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.830 -11.164 -3.352 1.00 0.00 H new ATOM 1772 N SER A 121 10.928 -11.331 1.814 1.00 0.00 N ATOM 1773 CA SER A 121 10.672 -12.133 3.004 1.00 0.00 C ATOM 1774 C SER A 121 9.248 -12.680 2.995 1.00 0.00 C ATOM 1775 O SER A 121 9.016 -13.844 3.319 1.00 0.00 O ATOM 1776 CB SER A 121 10.902 -11.299 4.266 1.00 0.00 C ATOM 1777 OG SER A 121 11.246 -12.122 5.366 1.00 0.00 O ATOM 0 H SER A 121 11.454 -10.475 1.988 1.00 0.00 H new ATOM 0 HA SER A 121 11.366 -12.974 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.697 -10.575 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.001 -10.732 4.500 1.00 0.00 H new ATOM 0 HG SER A 121 11.389 -11.565 6.159 1.00 0.00 H new ATOM 1783 N ALA A 122 8.297 -11.830 2.622 1.00 0.00 N ATOM 1784 CA ALA A 122 6.895 -12.227 2.568 1.00 0.00 C ATOM 1785 C ALA A 122 6.615 -13.086 1.340 1.00 0.00 C ATOM 1786 O ALA A 122 5.856 -14.054 1.407 1.00 0.00 O ATOM 1787 CB ALA A 122 5.998 -10.998 2.571 1.00 0.00 C ATOM 0 H ALA A 122 8.472 -10.862 2.353 1.00 0.00 H new ATOM 0 HA ALA A 122 6.677 -12.824 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.954 -11.309 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.170 -10.424 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.226 -10.379 1.703 1.00 0.00 H new