USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 18 HIS :FLIP no HD1:sc= -0.149 F(o=-1.5,f=-0.15) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.09! C(o=-9!,f=-2.1!) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0145 (180deg=-0.22) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00898 X(o=-0.009,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.241 K(o=-0.24,f=-3.2!) USER MOD Single : A 34 MET CE :methyl -133:sc= -0.317 (180deg=-1.7!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 37 LYS NZ :NH3+ -142:sc= -0.37 (180deg=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0517) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.05 USER MOD Single : A 54 ASN : amide:sc= -0.899! C(o=-0.9!,f=-4.7!) USER MOD Single : A 56 CYS SG : rot 34:sc= -0.869 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -34:sc= 0.581 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 72 TYR OH : rot 165:sc=-3.73e-05 USER MOD Single : A 74 LYS NZ :NH3+ -122:sc=-0.000248 (180deg=-1.21) USER MOD Single : A 81 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.39) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -4.22! C(o=-4.2!,f=-9.1!) USER MOD Single : A 84 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.0084) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 120:sc= -4.48! USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 161:sc= 0.00178 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -81:sc= -0.487 USER MOD Single : A 114 MET CE :methyl -173:sc= -0.677 (180deg=-0.808) USER MOD Single : A 121 SER OG : rot 180:sc= -0.164 USER MOD Single : A 122 GLN : amide:sc=-0.00559 X(o=-0.0056,f=-0.44) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 82:sc= -5.5! USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.364 K(o=-0.36,f=-3!) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 240 N GLY A 17 -5.744 -18.263 5.386 1.00 0.00 N ATOM 241 CA GLY A 17 -5.258 -16.938 5.753 1.00 0.00 C ATOM 242 C GLY A 17 -3.746 -16.848 5.582 1.00 0.00 C ATOM 243 O GLY A 17 -2.991 -17.046 6.534 1.00 0.00 O ATOM 0 HA2 GLY A 17 -5.744 -16.184 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.525 -16.722 6.787 1.00 0.00 H new ATOM 247 N HIS A 18 -3.310 -16.553 4.361 1.00 0.00 N ATOM 248 CA HIS A 18 -1.884 -16.444 4.074 1.00 0.00 C ATOM 249 C HIS A 18 -1.591 -15.184 3.267 1.00 0.00 C ATOM 250 O HIS A 18 -2.421 -14.734 2.476 1.00 0.00 O ATOM 251 CB HIS A 18 -1.420 -17.671 3.290 1.00 0.00 C ATOM 252 CG HIS A 18 -2.228 -17.792 2.028 1.00 0.00 C ATOM 253 ND1 HIS A 18 -3.574 -17.961 1.815 1.00 0.00 N flip ATOM 254 CD2 HIS A 18 -1.649 -17.738 0.770 1.00 0.00 C flip ATOM 255 CE1 HIS A 18 -3.828 -18.011 0.448 1.00 0.00 C flip ATOM 256 NE2 HIS A 18 -2.635 -17.872 -0.135 1.00 0.00 N flip ATOM 0 H HIS A 18 -3.919 -16.386 3.560 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.345 -16.387 5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.360 -17.583 3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.536 -18.569 3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.598 -17.611 0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.785 -18.136 -0.037 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.489 -17.868 -1.144 1.00 0.00 H new ATOM 264 N ILE A 19 -0.404 -14.620 3.470 1.00 0.00 N ATOM 265 CA ILE A 19 -0.009 -13.413 2.753 1.00 0.00 C ATOM 266 C ILE A 19 1.201 -13.691 1.866 1.00 0.00 C ATOM 267 O ILE A 19 2.035 -14.540 2.188 1.00 0.00 O ATOM 268 CB ILE A 19 0.328 -12.299 3.745 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.873 -12.048 4.661 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.662 -11.016 2.980 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.857 -11.104 3.967 1.00 0.00 C ATOM 0 H ILE A 19 0.296 -14.977 4.120 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.842 -13.097 2.126 1.00 0.00 H new ATOM 0 HB ILE A 19 1.187 -12.598 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.365 -12.991 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.540 -11.614 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.902 -10.222 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.518 -11.193 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.196 -10.718 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.712 -10.926 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.362 -10.157 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.199 -11.556 3.036 1.00 0.00 H new ATOM 283 N VAL A 20 1.292 -12.975 0.751 1.00 0.00 N ATOM 284 CA VAL A 20 2.406 -13.157 -0.174 1.00 0.00 C ATOM 285 C VAL A 20 3.199 -11.863 -0.322 1.00 0.00 C ATOM 286 O VAL A 20 2.624 -10.786 -0.478 1.00 0.00 O ATOM 287 CB VAL A 20 1.882 -13.597 -1.542 1.00 0.00 C ATOM 288 CG1 VAL A 20 3.060 -13.861 -2.481 1.00 0.00 C ATOM 289 CG2 VAL A 20 1.060 -14.877 -1.384 1.00 0.00 C ATOM 0 H VAL A 20 0.614 -12.268 0.466 1.00 0.00 H new ATOM 0 HA VAL A 20 3.064 -13.927 0.228 1.00 0.00 H new ATOM 0 HB VAL A 20 1.255 -12.810 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.685 -14.174 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.647 -12.949 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.689 -14.648 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.686 -15.192 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.688 -15.663 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.219 -14.689 -0.716 1.00 0.00 H new ATOM 299 N ALA A 21 4.522 -11.978 -0.277 1.00 0.00 N ATOM 300 CA ALA A 21 5.386 -10.811 -0.412 1.00 0.00 C ATOM 301 C ALA A 21 6.226 -10.918 -1.681 1.00 0.00 C ATOM 302 O ALA A 21 6.753 -11.984 -1.999 1.00 0.00 O ATOM 303 CB ALA A 21 6.307 -10.699 0.805 1.00 0.00 C ATOM 0 H ALA A 21 5.017 -12.861 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 21 4.761 -9.921 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.949 -9.825 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.706 -10.597 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.923 -11.595 0.878 1.00 0.00 H new ATOM 309 N ASN A 22 6.344 -9.809 -2.403 1.00 0.00 N ATOM 310 CA ASN A 22 7.120 -9.795 -3.638 1.00 0.00 C ATOM 311 C ASN A 22 8.605 -9.980 -3.346 1.00 0.00 C ATOM 312 O ASN A 22 9.151 -9.361 -2.433 1.00 0.00 O ATOM 313 CB ASN A 22 6.903 -8.473 -4.378 1.00 0.00 C ATOM 314 CG ASN A 22 7.153 -8.663 -5.869 1.00 0.00 C ATOM 315 OD1 ASN A 22 7.816 -9.709 -6.281 1.00 0.00 O flip ATOM 316 ND2 ASN A 22 6.734 -7.838 -6.681 1.00 0.00 N flip ATOM 0 H ASN A 22 5.917 -8.916 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 22 6.782 -10.621 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.886 -8.118 -4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.575 -7.711 -3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.216 -7.021 -6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.905 -7.971 -7.678 1.00 0.00 H new ATOM 323 N GLU A 23 9.250 -10.838 -4.129 1.00 0.00 N ATOM 324 CA GLU A 23 10.673 -11.101 -3.951 1.00 0.00 C ATOM 325 C GLU A 23 11.468 -9.801 -3.995 1.00 0.00 C ATOM 326 O GLU A 23 12.431 -9.624 -3.249 1.00 0.00 O ATOM 327 CB GLU A 23 11.170 -12.042 -5.049 1.00 0.00 C ATOM 328 CG GLU A 23 12.551 -12.582 -4.675 1.00 0.00 C ATOM 329 CD GLU A 23 12.409 -13.759 -3.718 1.00 0.00 C ATOM 330 OE1 GLU A 23 12.089 -14.840 -4.184 1.00 0.00 O ATOM 331 OE2 GLU A 23 12.622 -13.563 -2.533 1.00 0.00 O ATOM 0 H GLU A 23 8.813 -11.360 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 23 10.818 -11.569 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.469 -12.867 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.221 -11.512 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.083 -12.895 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.145 -11.795 -4.211 1.00 0.00 H new ATOM 338 N LYS A 24 11.058 -8.892 -4.875 1.00 0.00 N ATOM 339 CA LYS A 24 11.740 -7.611 -5.007 1.00 0.00 C ATOM 340 C LYS A 24 11.293 -6.652 -3.909 1.00 0.00 C ATOM 341 O LYS A 24 12.084 -6.270 -3.046 1.00 0.00 O ATOM 342 CB LYS A 24 11.441 -6.996 -6.375 1.00 0.00 C ATOM 343 CG LYS A 24 12.659 -6.203 -6.855 1.00 0.00 C ATOM 344 CD LYS A 24 12.234 -5.216 -7.942 1.00 0.00 C ATOM 345 CE LYS A 24 12.120 -5.948 -9.280 1.00 0.00 C ATOM 346 NZ LYS A 24 13.485 -6.203 -9.823 1.00 0.00 N ATOM 0 H LYS A 24 10.263 -9.018 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 24 12.812 -7.781 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.198 -7.780 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.571 -6.343 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.109 -5.667 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.418 -6.882 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.278 -4.761 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.961 -4.408 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.588 -6.890 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.542 -5.351 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.424 -6.380 -10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.088 -5.373 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.896 -7.034 -9.352 1.00 0.00 H new ATOM 360 N TRP A 25 10.022 -6.265 -3.950 1.00 0.00 N ATOM 361 CA TRP A 25 9.485 -5.350 -2.950 1.00 0.00 C ATOM 362 C TRP A 25 9.982 -5.727 -1.560 1.00 0.00 C ATOM 363 O TRP A 25 10.455 -4.875 -0.809 1.00 0.00 O ATOM 364 CB TRP A 25 7.956 -5.385 -2.970 1.00 0.00 C ATOM 365 CG TRP A 25 7.426 -4.127 -2.364 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.626 -4.067 -1.275 1.00 0.00 C ATOM 367 CD2 TRP A 25 7.644 -2.752 -2.788 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.339 -2.742 -1.003 1.00 0.00 N ATOM 369 CE2 TRP A 25 6.944 -1.893 -1.910 1.00 0.00 C ATOM 370 CE3 TRP A 25 8.373 -2.172 -3.841 1.00 0.00 C ATOM 371 CZ2 TRP A 25 6.968 -0.507 -2.068 1.00 0.00 C ATOM 372 CZ3 TRP A 25 8.399 -0.778 -4.005 1.00 0.00 C ATOM 373 CH2 TRP A 25 7.697 0.053 -3.120 1.00 0.00 C ATOM 0 H TRP A 25 9.351 -6.567 -4.657 1.00 0.00 H new ATOM 0 HA TRP A 25 9.827 -4.343 -3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.596 -5.489 -3.994 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.593 -6.250 -2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.270 -4.916 -0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.753 -2.430 -0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 25 8.917 -2.803 -4.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.427 0.128 -1.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.963 -0.343 -4.817 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.720 1.125 -3.252 1.00 0.00 H new ATOM 384 N ARG A 26 9.873 -7.010 -1.229 1.00 0.00 N ATOM 385 CA ARG A 26 10.312 -7.497 0.070 1.00 0.00 C ATOM 386 C ARG A 26 10.254 -6.381 1.105 1.00 0.00 C ATOM 387 O ARG A 26 11.248 -5.702 1.361 1.00 0.00 O ATOM 388 CB ARG A 26 11.738 -8.038 -0.043 1.00 0.00 C ATOM 389 CG ARG A 26 12.415 -8.016 1.331 1.00 0.00 C ATOM 390 CD ARG A 26 13.398 -9.184 1.437 1.00 0.00 C ATOM 391 NE ARG A 26 12.675 -10.447 1.539 1.00 0.00 N ATOM 392 CZ ARG A 26 13.137 -11.447 2.285 1.00 0.00 C ATOM 393 NH1 ARG A 26 14.255 -11.309 2.943 1.00 0.00 N ATOM 394 NH2 ARG A 26 12.471 -12.566 2.358 1.00 0.00 N ATOM 0 H ARG A 26 9.485 -7.728 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 26 9.647 -8.298 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.720 -9.056 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.310 -7.436 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.940 -7.071 1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.665 -8.086 2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.050 -9.200 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.038 -9.052 2.310 1.00 0.00 H new ATOM 0 HE ARG A 26 11.800 -10.565 1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.776 -10.434 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.608 -12.076 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.597 -12.674 1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.824 -13.333 2.930 1.00 0.00 H new ATOM 408 N GLY A 27 9.077 -6.192 1.694 1.00 0.00 N ATOM 409 CA GLY A 27 8.895 -5.153 2.698 1.00 0.00 C ATOM 410 C GLY A 27 10.067 -5.123 3.671 1.00 0.00 C ATOM 411 O GLY A 27 10.181 -4.214 4.493 1.00 0.00 O ATOM 0 H GLY A 27 8.241 -6.741 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.798 -4.183 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.968 -5.329 3.244 1.00 0.00 H new ATOM 415 N SER A 28 10.937 -6.122 3.575 1.00 0.00 N ATOM 416 CA SER A 28 12.096 -6.197 4.456 1.00 0.00 C ATOM 417 C SER A 28 11.672 -6.625 5.856 1.00 0.00 C ATOM 418 O SER A 28 10.763 -7.438 6.019 1.00 0.00 O ATOM 419 CB SER A 28 12.789 -4.836 4.524 1.00 0.00 C ATOM 420 OG SER A 28 14.191 -5.029 4.639 1.00 0.00 O ATOM 0 H SER A 28 10.863 -6.885 2.902 1.00 0.00 H new ATOM 0 HA SER A 28 12.789 -6.936 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.562 -4.255 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.417 -4.268 5.377 1.00 0.00 H new ATOM 0 HG SER A 28 14.639 -4.158 4.681 1.00 0.00 H new ATOM 426 N GLN A 29 12.334 -6.070 6.863 1.00 0.00 N ATOM 427 CA GLN A 29 12.014 -6.401 8.245 1.00 0.00 C ATOM 428 C GLN A 29 10.505 -6.521 8.425 1.00 0.00 C ATOM 429 O GLN A 29 10.028 -7.138 9.378 1.00 0.00 O ATOM 430 CB GLN A 29 12.559 -5.318 9.180 1.00 0.00 C ATOM 431 CG GLN A 29 13.902 -4.814 8.645 1.00 0.00 C ATOM 432 CD GLN A 29 14.676 -4.111 9.754 1.00 0.00 C ATOM 433 OE1 GLN A 29 15.872 -4.351 9.927 1.00 0.00 O ATOM 434 NE2 GLN A 29 14.064 -3.251 10.520 1.00 0.00 N ATOM 0 H GLN A 29 13.090 -5.394 6.750 1.00 0.00 H new ATOM 0 HA GLN A 29 12.477 -7.357 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.850 -4.493 9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.683 -5.719 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.485 -5.650 8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.737 -4.128 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.074 -3.053 10.375 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.576 -2.776 11.264 1.00 0.00 H new ATOM 443 N LEU A 30 9.759 -5.928 7.498 1.00 0.00 N ATOM 444 CA LEU A 30 8.304 -5.974 7.555 1.00 0.00 C ATOM 445 C LEU A 30 7.803 -7.376 7.220 1.00 0.00 C ATOM 446 O LEU A 30 7.020 -7.962 7.967 1.00 0.00 O ATOM 447 CB LEU A 30 7.725 -4.953 6.568 1.00 0.00 C ATOM 448 CG LEU A 30 6.454 -5.505 5.908 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.484 -6.010 6.979 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.782 -4.395 5.095 1.00 0.00 C ATOM 0 H LEU A 30 10.137 -5.413 6.703 1.00 0.00 H new ATOM 0 HA LEU A 30 7.976 -5.726 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.497 -4.023 7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.465 -4.717 5.804 1.00 0.00 H new ATOM 0 HG LEU A 30 6.722 -6.333 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.585 -6.400 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.960 -6.802 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.215 -5.188 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.879 -4.784 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.520 -3.568 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.468 -4.041 4.325 1.00 0.00 H new ATOM 462 N ALA A 31 8.260 -7.905 6.090 1.00 0.00 N ATOM 463 CA ALA A 31 7.855 -9.237 5.661 1.00 0.00 C ATOM 464 C ALA A 31 8.439 -10.301 6.586 1.00 0.00 C ATOM 465 O ALA A 31 7.848 -11.364 6.775 1.00 0.00 O ATOM 466 CB ALA A 31 8.327 -9.485 4.228 1.00 0.00 C ATOM 0 H ALA A 31 8.908 -7.434 5.458 1.00 0.00 H new ATOM 0 HA ALA A 31 6.768 -9.299 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.022 -10.482 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.883 -8.742 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.413 -9.407 4.184 1.00 0.00 H new ATOM 472 N GLN A 32 9.601 -10.007 7.161 1.00 0.00 N ATOM 473 CA GLN A 32 10.252 -10.948 8.065 1.00 0.00 C ATOM 474 C GLN A 32 9.413 -11.150 9.322 1.00 0.00 C ATOM 475 O GLN A 32 9.071 -12.279 9.677 1.00 0.00 O ATOM 476 CB GLN A 32 11.638 -10.427 8.450 1.00 0.00 C ATOM 477 CG GLN A 32 12.356 -11.474 9.303 1.00 0.00 C ATOM 478 CD GLN A 32 13.203 -12.379 8.413 1.00 0.00 C ATOM 479 OE1 GLN A 32 13.430 -12.064 7.245 1.00 0.00 O ATOM 480 NE2 GLN A 32 13.683 -13.491 8.897 1.00 0.00 N ATOM 0 H GLN A 32 10.107 -9.133 7.019 1.00 0.00 H new ATOM 0 HA GLN A 32 10.354 -11.905 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.219 -10.211 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.546 -9.492 9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.988 -10.982 10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.627 -12.069 9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.493 -13.750 9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.248 -14.102 8.307 1.00 0.00 H new ATOM 489 N GLU A 33 9.080 -10.050 9.990 1.00 0.00 N ATOM 490 CA GLU A 33 8.274 -10.121 11.204 1.00 0.00 C ATOM 491 C GLU A 33 6.928 -10.772 10.910 1.00 0.00 C ATOM 492 O GLU A 33 6.434 -11.584 11.694 1.00 0.00 O ATOM 493 CB GLU A 33 8.054 -8.716 11.769 1.00 0.00 C ATOM 494 CG GLU A 33 9.405 -8.079 12.101 1.00 0.00 C ATOM 495 CD GLU A 33 9.556 -7.933 13.612 1.00 0.00 C ATOM 496 OE1 GLU A 33 9.058 -8.789 14.323 1.00 0.00 O ATOM 497 OE2 GLU A 33 10.168 -6.966 14.035 1.00 0.00 O ATOM 0 H GLU A 33 9.353 -9.107 9.715 1.00 0.00 H new ATOM 0 HA GLU A 33 8.806 -10.726 11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.519 -8.102 11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.434 -8.766 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.213 -8.693 11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.483 -7.102 11.623 1.00 0.00 H new ATOM 504 N MET A 34 6.341 -10.413 9.774 1.00 0.00 N ATOM 505 CA MET A 34 5.052 -10.970 9.382 1.00 0.00 C ATOM 506 C MET A 34 4.960 -12.437 9.787 1.00 0.00 C ATOM 507 O MET A 34 3.887 -12.928 10.139 1.00 0.00 O ATOM 508 CB MET A 34 4.870 -10.843 7.868 1.00 0.00 C ATOM 509 CG MET A 34 3.884 -9.714 7.564 1.00 0.00 C ATOM 510 SD MET A 34 3.499 -9.712 5.795 1.00 0.00 S ATOM 511 CE MET A 34 2.449 -8.237 5.791 1.00 0.00 C ATOM 0 H MET A 34 6.734 -9.743 9.112 1.00 0.00 H new ATOM 0 HA MET A 34 4.264 -10.414 9.890 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.829 -10.640 7.392 1.00 0.00 H new ATOM 0 HB3 MET A 34 4.502 -11.782 7.456 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.972 -9.846 8.146 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.311 -8.755 7.855 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.536 -8.441 5.231 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.193 -7.970 6.816 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.984 -7.411 5.323 1.00 0.00 H new ATOM 521 N GLN A 35 6.092 -13.133 9.736 1.00 0.00 N ATOM 522 CA GLN A 35 6.122 -14.545 10.103 1.00 0.00 C ATOM 523 C GLN A 35 6.049 -14.703 11.618 1.00 0.00 C ATOM 524 O GLN A 35 6.374 -15.761 12.158 1.00 0.00 O ATOM 525 CB GLN A 35 7.406 -15.195 9.580 1.00 0.00 C ATOM 526 CG GLN A 35 7.447 -15.093 8.055 1.00 0.00 C ATOM 527 CD GLN A 35 8.842 -15.442 7.546 1.00 0.00 C ATOM 528 OE1 GLN A 35 9.673 -14.555 7.357 1.00 0.00 O ATOM 529 NE2 GLN A 35 9.150 -16.689 7.313 1.00 0.00 N ATOM 0 H GLN A 35 6.991 -12.748 9.447 1.00 0.00 H new ATOM 0 HA GLN A 35 5.259 -15.037 9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.277 -14.702 10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.447 -16.240 9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.712 -15.768 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.179 -14.084 7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.459 -17.423 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.081 -16.929 6.974 1.00 0.00 H new ATOM 538 N GLY A 36 5.623 -13.643 12.299 1.00 0.00 N ATOM 539 CA GLY A 36 5.513 -13.675 13.753 1.00 0.00 C ATOM 540 C GLY A 36 4.054 -13.750 14.194 1.00 0.00 C ATOM 541 O GLY A 36 3.763 -13.873 15.385 1.00 0.00 O ATOM 0 H GLY A 36 5.350 -12.758 11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.058 -14.535 14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.978 -12.784 14.175 1.00 0.00 H new ATOM 545 N LYS A 37 3.138 -13.674 13.233 1.00 0.00 N ATOM 546 CA LYS A 37 1.715 -13.734 13.545 1.00 0.00 C ATOM 547 C LYS A 37 0.971 -14.597 12.530 1.00 0.00 C ATOM 548 O LYS A 37 0.092 -15.378 12.894 1.00 0.00 O ATOM 549 CB LYS A 37 1.121 -12.323 13.550 1.00 0.00 C ATOM 550 CG LYS A 37 1.459 -11.632 14.874 1.00 0.00 C ATOM 551 CD LYS A 37 1.699 -10.142 14.627 1.00 0.00 C ATOM 552 CE LYS A 37 3.196 -9.889 14.447 1.00 0.00 C ATOM 553 NZ LYS A 37 3.930 -10.376 15.647 1.00 0.00 N ATOM 0 H LYS A 37 3.353 -13.572 12.241 1.00 0.00 H new ATOM 0 HA LYS A 37 1.602 -14.182 14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.519 -11.747 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.040 -12.371 13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.644 -11.767 15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.346 -12.085 15.317 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.155 -9.818 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.319 -9.558 15.465 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.557 -10.400 13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.381 -8.825 14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.708 -9.722 15.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.279 -10.424 16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.317 -11.322 15.457 1.00 0.00 H new ATOM 567 N ILE A 38 1.326 -14.450 11.259 1.00 0.00 N ATOM 568 CA ILE A 38 0.681 -15.223 10.204 1.00 0.00 C ATOM 569 C ILE A 38 1.725 -15.827 9.268 1.00 0.00 C ATOM 570 O ILE A 38 2.914 -15.526 9.373 1.00 0.00 O ATOM 571 CB ILE A 38 -0.277 -14.323 9.415 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.448 -15.156 8.881 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.467 -13.683 8.241 1.00 0.00 C ATOM 574 CD1 ILE A 38 -2.230 -15.754 10.051 1.00 0.00 C ATOM 0 H ILE A 38 2.050 -13.809 10.936 1.00 0.00 H new ATOM 0 HA ILE A 38 0.116 -16.036 10.660 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.658 -13.542 10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.104 -14.532 8.274 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.076 -15.951 8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.217 -13.044 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.296 -13.085 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.852 -14.464 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.062 -16.346 9.668 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.572 -16.392 10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.615 -14.951 10.680 1.00 0.00 H new ATOM 586 N LYS A 39 1.273 -16.682 8.356 1.00 0.00 N ATOM 587 CA LYS A 39 2.177 -17.327 7.412 1.00 0.00 C ATOM 588 C LYS A 39 2.408 -16.436 6.195 1.00 0.00 C ATOM 589 O LYS A 39 1.459 -15.998 5.544 1.00 0.00 O ATOM 590 CB LYS A 39 1.588 -18.667 6.965 1.00 0.00 C ATOM 591 CG LYS A 39 2.682 -19.524 6.328 1.00 0.00 C ATOM 592 CD LYS A 39 2.049 -20.742 5.652 1.00 0.00 C ATOM 593 CE LYS A 39 3.054 -21.373 4.688 1.00 0.00 C ATOM 594 NZ LYS A 39 4.195 -21.940 5.461 1.00 0.00 N ATOM 0 H LYS A 39 0.292 -16.943 8.251 1.00 0.00 H new ATOM 0 HA LYS A 39 3.133 -17.496 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.156 -19.188 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.781 -18.501 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.238 -18.938 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.395 -19.846 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.744 -21.470 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.150 -20.445 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.571 -22.157 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.415 -20.626 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.800 -22.500 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.752 -21.166 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.831 -22.551 6.220 1.00 0.00 H new ATOM 608 N LEU A 40 3.676 -16.169 5.897 1.00 0.00 N ATOM 609 CA LEU A 40 4.025 -15.326 4.760 1.00 0.00 C ATOM 610 C LEU A 40 4.780 -16.130 3.705 1.00 0.00 C ATOM 611 O LEU A 40 5.490 -17.083 4.029 1.00 0.00 O ATOM 612 CB LEU A 40 4.893 -14.156 5.231 1.00 0.00 C ATOM 613 CG LEU A 40 5.067 -13.154 4.089 1.00 0.00 C ATOM 614 CD1 LEU A 40 3.774 -12.361 3.901 1.00 0.00 C ATOM 615 CD2 LEU A 40 6.209 -12.193 4.428 1.00 0.00 C ATOM 0 H LEU A 40 4.475 -16.522 6.424 1.00 0.00 H new ATOM 0 HA LEU A 40 3.105 -14.945 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.430 -13.668 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.866 -14.521 5.559 1.00 0.00 H new ATOM 0 HG LEU A 40 5.300 -13.689 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.900 -11.647 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.959 -13.045 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.539 -11.825 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.336 -11.477 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.974 -11.659 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.132 -12.757 4.561 1.00 0.00 H new ATOM 627 N ILE A 41 4.622 -15.741 2.444 1.00 0.00 N ATOM 628 CA ILE A 41 5.296 -16.432 1.350 1.00 0.00 C ATOM 629 C ILE A 41 5.971 -15.433 0.417 1.00 0.00 C ATOM 630 O ILE A 41 5.522 -14.295 0.278 1.00 0.00 O ATOM 631 CB ILE A 41 4.288 -17.266 0.556 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.252 -17.862 1.512 1.00 0.00 C ATOM 633 CG2 ILE A 41 5.022 -18.397 -0.169 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.246 -18.695 0.716 1.00 0.00 C ATOM 0 H ILE A 41 4.037 -14.957 2.155 1.00 0.00 H new ATOM 0 HA ILE A 41 6.056 -17.087 1.777 1.00 0.00 H new ATOM 0 HB ILE A 41 3.786 -16.631 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.746 -18.484 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.737 -17.066 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.305 -18.992 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.760 -17.974 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.524 -19.032 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.507 -19.120 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.744 -18.060 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.768 -19.500 0.198 1.00 0.00 H new ATOM 646 N PHE A 42 7.053 -15.867 -0.223 1.00 0.00 N ATOM 647 CA PHE A 42 7.783 -15.005 -1.145 1.00 0.00 C ATOM 648 C PHE A 42 7.718 -15.565 -2.563 1.00 0.00 C ATOM 649 O PHE A 42 7.975 -16.749 -2.784 1.00 0.00 O ATOM 650 CB PHE A 42 9.244 -14.886 -0.707 1.00 0.00 C ATOM 651 CG PHE A 42 9.315 -14.236 0.654 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.100 -15.000 1.808 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.597 -12.869 0.763 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.168 -14.396 3.069 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.665 -12.266 2.023 1.00 0.00 C ATOM 656 CZ PHE A 42 9.450 -13.030 3.177 1.00 0.00 C ATOM 0 H PHE A 42 7.441 -16.805 -0.121 1.00 0.00 H new ATOM 0 HA PHE A 42 7.321 -14.018 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.706 -15.873 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.804 -14.296 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.882 -16.054 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.762 -12.280 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.003 -14.985 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.883 -11.212 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.502 -12.565 4.150 1.00 0.00 H new ATOM 666 N GLU A 43 7.375 -14.708 -3.518 1.00 0.00 N ATOM 667 CA GLU A 43 7.280 -15.133 -4.911 1.00 0.00 C ATOM 668 C GLU A 43 7.909 -14.093 -5.834 1.00 0.00 C ATOM 669 O GLU A 43 7.579 -12.909 -5.768 1.00 0.00 O ATOM 670 CB GLU A 43 5.814 -15.337 -5.296 1.00 0.00 C ATOM 671 CG GLU A 43 5.231 -16.498 -4.487 1.00 0.00 C ATOM 672 CD GLU A 43 3.840 -16.847 -5.005 1.00 0.00 C ATOM 673 OE1 GLU A 43 3.547 -16.499 -6.137 1.00 0.00 O ATOM 674 OE2 GLU A 43 3.087 -17.455 -4.262 1.00 0.00 O ATOM 0 H GLU A 43 7.160 -13.724 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 43 7.820 -16.074 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.247 -14.426 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.733 -15.546 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.884 -17.367 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.178 -16.227 -3.433 1.00 0.00 H new ATOM 681 N ASP A 44 8.810 -14.547 -6.699 1.00 0.00 N ATOM 682 CA ASP A 44 9.476 -13.648 -7.635 1.00 0.00 C ATOM 683 C ASP A 44 8.711 -13.592 -8.952 1.00 0.00 C ATOM 684 O ASP A 44 8.495 -14.617 -9.601 1.00 0.00 O ATOM 685 CB ASP A 44 10.907 -14.124 -7.894 1.00 0.00 C ATOM 686 CG ASP A 44 10.893 -15.525 -8.492 1.00 0.00 C ATOM 687 OD1 ASP A 44 9.947 -16.249 -8.231 1.00 0.00 O ATOM 688 OD2 ASP A 44 11.829 -15.854 -9.203 1.00 0.00 O ATOM 0 H ASP A 44 9.094 -15.524 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 44 9.502 -12.651 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.410 -13.436 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.473 -14.124 -6.962 1.00 0.00 H new ATOM 693 N GLY A 45 8.299 -12.390 -9.338 1.00 0.00 N ATOM 694 CA GLY A 45 7.554 -12.209 -10.576 1.00 0.00 C ATOM 695 C GLY A 45 6.434 -11.192 -10.388 1.00 0.00 C ATOM 696 O GLY A 45 6.068 -10.476 -11.320 1.00 0.00 O ATOM 0 H GLY A 45 8.467 -11.531 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.227 -11.874 -11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.136 -13.163 -10.897 1.00 0.00 H new ATOM 700 N LEU A 46 5.898 -11.132 -9.173 1.00 0.00 N ATOM 701 CA LEU A 46 4.821 -10.196 -8.870 1.00 0.00 C ATOM 702 C LEU A 46 5.337 -8.761 -8.900 1.00 0.00 C ATOM 703 O LEU A 46 6.543 -8.524 -8.826 1.00 0.00 O ATOM 704 CB LEU A 46 4.234 -10.504 -7.491 1.00 0.00 C ATOM 705 CG LEU A 46 4.312 -12.009 -7.227 1.00 0.00 C ATOM 706 CD1 LEU A 46 3.575 -12.339 -5.927 1.00 0.00 C ATOM 707 CD2 LEU A 46 3.658 -12.763 -8.387 1.00 0.00 C ATOM 0 H LEU A 46 6.189 -11.715 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 46 4.044 -10.306 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.782 -9.960 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.198 -10.169 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 46 5.356 -12.309 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.631 -13.411 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.038 -11.801 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.531 -12.040 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.713 -13.836 -8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.614 -12.462 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.181 -12.529 -9.314 1.00 0.00 H new ATOM 719 N THR A 47 4.419 -7.806 -9.014 1.00 0.00 N ATOM 720 CA THR A 47 4.799 -6.399 -9.057 1.00 0.00 C ATOM 721 C THR A 47 4.345 -5.673 -7.793 1.00 0.00 C ATOM 722 O THR A 47 5.072 -4.841 -7.249 1.00 0.00 O ATOM 723 CB THR A 47 4.180 -5.729 -10.286 1.00 0.00 C ATOM 724 OG1 THR A 47 3.027 -4.997 -9.894 1.00 0.00 O ATOM 725 CG2 THR A 47 3.788 -6.797 -11.309 1.00 0.00 C ATOM 0 H THR A 47 3.416 -7.979 -9.078 1.00 0.00 H new ATOM 0 HA THR A 47 5.886 -6.341 -9.118 1.00 0.00 H new ATOM 0 HB THR A 47 4.905 -5.050 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.630 -4.566 -10.680 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.347 -6.319 -12.184 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.674 -7.356 -11.609 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.063 -7.478 -10.864 1.00 0.00 H new ATOM 733 N PRO A 48 3.164 -5.972 -7.322 1.00 0.00 N ATOM 734 CA PRO A 48 2.601 -5.331 -6.097 1.00 0.00 C ATOM 735 C PRO A 48 3.481 -5.565 -4.873 1.00 0.00 C ATOM 736 O PRO A 48 4.575 -6.119 -4.978 1.00 0.00 O ATOM 737 CB PRO A 48 1.233 -6.000 -5.914 1.00 0.00 C ATOM 738 CG PRO A 48 0.906 -6.633 -7.227 1.00 0.00 C ATOM 739 CD PRO A 48 2.237 -6.949 -7.904 1.00 0.00 C ATOM 0 HA PRO A 48 2.535 -4.248 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.266 -6.745 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.475 -5.268 -5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.319 -7.540 -7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.308 -5.961 -7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.555 -7.972 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.171 -6.842 -8.987 1.00 0.00 H new ATOM 747 N ASP A 49 2.992 -5.140 -3.712 1.00 0.00 N ATOM 748 CA ASP A 49 3.738 -5.310 -2.473 1.00 0.00 C ATOM 749 C ASP A 49 3.253 -6.549 -1.727 1.00 0.00 C ATOM 750 O ASP A 49 4.052 -7.392 -1.318 1.00 0.00 O ATOM 751 CB ASP A 49 3.564 -4.075 -1.586 1.00 0.00 C ATOM 752 CG ASP A 49 4.113 -2.842 -2.295 1.00 0.00 C ATOM 753 OD1 ASP A 49 4.354 -2.925 -3.488 1.00 0.00 O ATOM 754 OD2 ASP A 49 4.284 -1.831 -1.634 1.00 0.00 O ATOM 0 H ASP A 49 2.089 -4.679 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 49 4.793 -5.435 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.509 -3.931 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.083 -4.221 -0.639 1.00 0.00 H new ATOM 759 N PHE A 50 1.938 -6.656 -1.556 1.00 0.00 N ATOM 760 CA PHE A 50 1.360 -7.800 -0.862 1.00 0.00 C ATOM 761 C PHE A 50 0.160 -8.338 -1.636 1.00 0.00 C ATOM 762 O PHE A 50 -0.583 -7.576 -2.255 1.00 0.00 O ATOM 763 CB PHE A 50 0.924 -7.393 0.549 1.00 0.00 C ATOM 764 CG PHE A 50 2.143 -7.186 1.415 1.00 0.00 C ATOM 765 CD1 PHE A 50 2.899 -8.286 1.833 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.516 -5.893 1.800 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.028 -8.094 2.638 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.644 -5.700 2.605 1.00 0.00 C ATOM 769 CZ PHE A 50 4.400 -6.802 3.024 1.00 0.00 C ATOM 0 H PHE A 50 1.259 -5.970 -1.886 1.00 0.00 H new ATOM 0 HA PHE A 50 2.116 -8.582 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.334 -6.477 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.286 -8.164 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.612 -9.283 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.933 -5.044 1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.612 -8.943 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.931 -4.702 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.271 -6.654 3.646 1.00 0.00 H new ATOM 779 N TYR A 51 -0.021 -9.655 -1.603 1.00 0.00 N ATOM 780 CA TYR A 51 -1.131 -10.278 -2.313 1.00 0.00 C ATOM 781 C TYR A 51 -2.132 -10.881 -1.334 1.00 0.00 C ATOM 782 O TYR A 51 -1.797 -11.780 -0.562 1.00 0.00 O ATOM 783 CB TYR A 51 -0.607 -11.374 -3.245 1.00 0.00 C ATOM 784 CG TYR A 51 -1.245 -11.231 -4.606 1.00 0.00 C ATOM 785 CD1 TYR A 51 -1.168 -10.013 -5.291 1.00 0.00 C ATOM 786 CD2 TYR A 51 -1.916 -12.316 -5.181 1.00 0.00 C ATOM 787 CE1 TYR A 51 -1.760 -9.881 -6.553 1.00 0.00 C ATOM 788 CE2 TYR A 51 -2.509 -12.185 -6.443 1.00 0.00 C ATOM 789 CZ TYR A 51 -2.431 -10.967 -7.128 1.00 0.00 C ATOM 790 OH TYR A 51 -3.015 -10.837 -8.373 1.00 0.00 O ATOM 0 H TYR A 51 0.581 -10.305 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.634 -9.509 -2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.477 -11.304 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.831 -12.356 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.652 -9.175 -4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.977 -13.255 -4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.699 -8.942 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.026 -13.023 -6.887 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.438 -11.684 -8.626 1.00 0.00 H new ATOM 800 N LEU A 52 -3.362 -10.383 -1.375 1.00 0.00 N ATOM 801 CA LEU A 52 -4.409 -10.884 -0.492 1.00 0.00 C ATOM 802 C LEU A 52 -5.317 -11.851 -1.245 1.00 0.00 C ATOM 803 O LEU A 52 -5.873 -12.781 -0.661 1.00 0.00 O ATOM 804 CB LEU A 52 -5.237 -9.719 0.050 1.00 0.00 C ATOM 805 CG LEU A 52 -6.170 -10.225 1.151 1.00 0.00 C ATOM 806 CD1 LEU A 52 -5.524 -9.987 2.517 1.00 0.00 C ATOM 807 CD2 LEU A 52 -7.499 -9.470 1.078 1.00 0.00 C ATOM 0 H LEU A 52 -3.658 -9.638 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.941 -11.411 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.580 -8.944 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.818 -9.267 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.348 -11.292 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.189 -10.348 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.576 -10.523 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.346 -8.920 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.165 -9.830 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.320 -8.404 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.960 -9.638 0.105 1.00 0.00 H new ATOM 819 N SER A 53 -5.458 -11.624 -2.547 1.00 0.00 N ATOM 820 CA SER A 53 -6.297 -12.478 -3.378 1.00 0.00 C ATOM 821 C SER A 53 -6.153 -12.098 -4.849 1.00 0.00 C ATOM 822 O SER A 53 -5.939 -10.931 -5.179 1.00 0.00 O ATOM 823 CB SER A 53 -7.762 -12.346 -2.955 1.00 0.00 C ATOM 824 OG SER A 53 -7.856 -11.440 -1.864 1.00 0.00 O ATOM 0 H SER A 53 -5.004 -10.859 -3.047 1.00 0.00 H new ATOM 0 HA SER A 53 -5.975 -13.511 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.363 -11.990 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.159 -13.320 -2.669 1.00 0.00 H new ATOM 0 HG SER A 53 -8.793 -11.352 -1.591 1.00 0.00 H new ATOM 830 N ASN A 54 -6.271 -13.087 -5.728 1.00 0.00 N ATOM 831 CA ASN A 54 -6.151 -12.841 -7.161 1.00 0.00 C ATOM 832 C ASN A 54 -7.152 -11.778 -7.607 1.00 0.00 C ATOM 833 O ASN A 54 -7.241 -11.454 -8.791 1.00 0.00 O ATOM 834 CB ASN A 54 -6.402 -14.136 -7.936 1.00 0.00 C ATOM 835 CG ASN A 54 -6.212 -15.337 -7.018 1.00 0.00 C ATOM 836 OD1 ASN A 54 -5.394 -15.295 -6.099 1.00 0.00 O ATOM 837 ND2 ASN A 54 -6.923 -16.414 -7.213 1.00 0.00 N ATOM 0 H ASN A 54 -6.448 -14.060 -5.477 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.142 -12.484 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.413 -14.136 -8.344 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.717 -14.202 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.801 -17.223 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.600 -16.447 -7.975 1.00 0.00 H new ATOM 844 N ARG A 55 -7.902 -11.241 -6.651 1.00 0.00 N ATOM 845 CA ARG A 55 -8.895 -10.216 -6.957 1.00 0.00 C ATOM 846 C ARG A 55 -8.644 -8.963 -6.125 1.00 0.00 C ATOM 847 O ARG A 55 -9.387 -7.986 -6.218 1.00 0.00 O ATOM 848 CB ARG A 55 -10.299 -10.750 -6.663 1.00 0.00 C ATOM 849 CG ARG A 55 -11.225 -10.427 -7.836 1.00 0.00 C ATOM 850 CD ARG A 55 -12.619 -10.993 -7.555 1.00 0.00 C ATOM 851 NE ARG A 55 -13.236 -11.452 -8.794 1.00 0.00 N ATOM 852 CZ ARG A 55 -12.708 -12.446 -9.499 1.00 0.00 C ATOM 853 NH1 ARG A 55 -11.617 -13.032 -9.083 1.00 0.00 N ATOM 854 NH2 ARG A 55 -13.278 -12.835 -10.607 1.00 0.00 N ATOM 0 H ARG A 55 -7.843 -11.495 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.814 -9.960 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.263 -11.827 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.685 -10.302 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.281 -9.348 -7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.826 -10.853 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.548 -11.819 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.243 -10.229 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.089 -11.001 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.172 -12.726 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.210 -13.796 -9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.129 -12.376 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.872 -13.598 -11.148 1.00 0.00 H new ATOM 868 N CYS A 56 -7.592 -8.996 -5.312 1.00 0.00 N ATOM 869 CA CYS A 56 -7.257 -7.853 -4.469 1.00 0.00 C ATOM 870 C CYS A 56 -5.778 -7.871 -4.093 1.00 0.00 C ATOM 871 O CYS A 56 -5.215 -8.922 -3.788 1.00 0.00 O ATOM 872 CB CYS A 56 -8.106 -7.877 -3.197 1.00 0.00 C ATOM 873 SG CYS A 56 -8.100 -6.232 -2.441 1.00 0.00 S ATOM 0 H CYS A 56 -6.963 -9.793 -5.219 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.464 -6.942 -5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.127 -8.177 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.711 -8.613 -2.497 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.060 -5.326 -3.373 1.00 0.00 H new ATOM 879 N CYS A 57 -5.160 -6.694 -4.111 1.00 0.00 N ATOM 880 CA CYS A 57 -3.748 -6.572 -3.764 1.00 0.00 C ATOM 881 C CYS A 57 -3.511 -5.280 -2.987 1.00 0.00 C ATOM 882 O CYS A 57 -4.427 -4.475 -2.818 1.00 0.00 O ATOM 883 CB CYS A 57 -2.892 -6.573 -5.032 1.00 0.00 C ATOM 884 SG CYS A 57 -3.920 -6.136 -6.457 1.00 0.00 S ATOM 0 H CYS A 57 -5.612 -5.815 -4.361 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.466 -7.422 -3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.072 -5.862 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.445 -7.556 -5.181 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.191 -6.135 -7.534 1.00 0.00 H new ATOM 890 N ILE A 58 -2.283 -5.085 -2.515 1.00 0.00 N ATOM 891 CA ILE A 58 -1.962 -3.880 -1.759 1.00 0.00 C ATOM 892 C ILE A 58 -0.608 -3.320 -2.180 1.00 0.00 C ATOM 893 O ILE A 58 0.375 -4.054 -2.286 1.00 0.00 O ATOM 894 CB ILE A 58 -1.948 -4.189 -0.261 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.312 -4.745 0.154 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.661 -2.907 0.524 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.331 -4.990 1.664 1.00 0.00 C ATOM 0 H ILE A 58 -1.506 -5.734 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.728 -3.133 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.172 -4.925 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.100 -4.044 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.514 -5.675 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.651 -3.128 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.691 -2.508 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.436 -2.170 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.304 -5.386 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.554 -5.708 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.149 -4.051 2.187 1.00 0.00 H new ATOM 909 N LEU A 59 -0.568 -2.012 -2.410 1.00 0.00 N ATOM 910 CA LEU A 59 0.667 -1.351 -2.812 1.00 0.00 C ATOM 911 C LEU A 59 1.082 -0.330 -1.761 1.00 0.00 C ATOM 912 O LEU A 59 0.255 0.437 -1.268 1.00 0.00 O ATOM 913 CB LEU A 59 0.473 -0.652 -4.157 1.00 0.00 C ATOM 914 CG LEU A 59 1.837 -0.310 -4.757 1.00 0.00 C ATOM 915 CD1 LEU A 59 2.350 -1.499 -5.570 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.700 0.909 -5.672 1.00 0.00 C ATOM 0 H LEU A 59 -1.373 -1.391 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 59 1.450 -2.103 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.084 -1.297 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.116 0.256 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 59 2.540 -0.087 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.322 -1.255 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.447 -2.369 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.647 -1.722 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.672 1.154 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.996 0.685 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.334 1.758 -5.095 1.00 0.00 H new ATOM 928 N TYR A 60 2.364 -0.326 -1.415 1.00 0.00 N ATOM 929 CA TYR A 60 2.867 0.606 -0.415 1.00 0.00 C ATOM 930 C TYR A 60 3.719 1.692 -1.061 1.00 0.00 C ATOM 931 O TYR A 60 4.669 1.401 -1.788 1.00 0.00 O ATOM 932 CB TYR A 60 3.701 -0.142 0.626 1.00 0.00 C ATOM 933 CG TYR A 60 3.969 0.770 1.801 1.00 0.00 C ATOM 934 CD1 TYR A 60 5.106 1.586 1.809 1.00 0.00 C ATOM 935 CD2 TYR A 60 3.078 0.799 2.880 1.00 0.00 C ATOM 936 CE1 TYR A 60 5.354 2.432 2.897 1.00 0.00 C ATOM 937 CE2 TYR A 60 3.325 1.645 3.968 1.00 0.00 C ATOM 938 CZ TYR A 60 4.462 2.461 3.977 1.00 0.00 C ATOM 939 OH TYR A 60 4.706 3.294 5.049 1.00 0.00 O ATOM 0 H TYR A 60 3.068 -0.951 -1.808 1.00 0.00 H new ATOM 0 HA TYR A 60 2.011 1.076 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.173 -1.036 0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.642 -0.473 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.793 1.563 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.201 0.169 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.232 3.061 2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.638 1.668 4.801 1.00 0.00 H new ATOM 0 HH TYR A 60 5.672 3.357 5.201 1.00 0.00 H new ATOM 949 N VAL A 61 3.375 2.943 -0.782 1.00 0.00 N ATOM 950 CA VAL A 61 4.117 4.071 -1.331 1.00 0.00 C ATOM 951 C VAL A 61 4.834 4.818 -0.210 1.00 0.00 C ATOM 952 O VAL A 61 4.353 4.863 0.922 1.00 0.00 O ATOM 953 CB VAL A 61 3.167 5.023 -2.060 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.953 6.219 -2.599 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.501 4.287 -3.225 1.00 0.00 C ATOM 0 H VAL A 61 2.591 3.201 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 61 4.854 3.694 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 61 2.404 5.373 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.275 6.896 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.428 6.745 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.718 5.869 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.824 4.965 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.265 3.936 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.939 3.435 -2.843 1.00 0.00 H new ATOM 965 N THR A 62 5.984 5.399 -0.529 1.00 0.00 N ATOM 966 CA THR A 62 6.754 6.137 0.466 1.00 0.00 C ATOM 967 C THR A 62 6.835 7.614 0.094 1.00 0.00 C ATOM 968 O THR A 62 6.796 7.970 -1.084 1.00 0.00 O ATOM 969 CB THR A 62 8.167 5.557 0.570 1.00 0.00 C ATOM 970 OG1 THR A 62 8.901 6.277 1.551 1.00 0.00 O ATOM 971 CG2 THR A 62 8.871 5.674 -0.783 1.00 0.00 C ATOM 0 H THR A 62 6.401 5.375 -1.459 1.00 0.00 H new ATOM 0 HA THR A 62 6.251 6.043 1.429 1.00 0.00 H new ATOM 0 HB THR A 62 8.108 4.507 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.805 5.906 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.877 5.261 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.308 5.122 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.931 6.723 -1.072 1.00 0.00 H new ATOM 979 N GLU A 63 6.945 8.468 1.106 1.00 0.00 N ATOM 980 CA GLU A 63 7.029 9.903 0.872 1.00 0.00 C ATOM 981 C GLU A 63 8.052 10.207 -0.216 1.00 0.00 C ATOM 982 O GLU A 63 7.874 11.133 -1.008 1.00 0.00 O ATOM 983 CB GLU A 63 7.422 10.622 2.164 1.00 0.00 C ATOM 984 CG GLU A 63 8.917 10.430 2.420 1.00 0.00 C ATOM 985 CD GLU A 63 9.707 11.556 1.762 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.241 12.683 1.804 1.00 0.00 O ATOM 987 OE2 GLU A 63 10.766 11.276 1.225 1.00 0.00 O ATOM 0 H GLU A 63 6.978 8.194 2.088 1.00 0.00 H new ATOM 0 HA GLU A 63 6.052 10.258 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.189 11.684 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.845 10.229 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.112 10.416 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.242 9.468 2.025 1.00 0.00 H new ATOM 994 N ALA A 64 9.123 9.420 -0.252 1.00 0.00 N ATOM 995 CA ALA A 64 10.167 9.615 -1.252 1.00 0.00 C ATOM 996 C ALA A 64 9.579 9.519 -2.656 1.00 0.00 C ATOM 997 O ALA A 64 10.162 10.017 -3.619 1.00 0.00 O ATOM 998 CB ALA A 64 11.261 8.557 -1.080 1.00 0.00 C ATOM 0 H ALA A 64 9.290 8.648 0.393 1.00 0.00 H new ATOM 0 HA ALA A 64 10.599 10.606 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 12.036 8.710 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.697 8.643 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.829 7.564 -1.202 1.00 0.00 H new ATOM 1004 N ASP A 65 8.422 8.875 -2.764 1.00 0.00 N ATOM 1005 CA ASP A 65 7.761 8.719 -4.054 1.00 0.00 C ATOM 1006 C ASP A 65 6.931 9.955 -4.390 1.00 0.00 C ATOM 1007 O ASP A 65 6.867 10.373 -5.546 1.00 0.00 O ATOM 1008 CB ASP A 65 6.858 7.483 -4.034 1.00 0.00 C ATOM 1009 CG ASP A 65 7.704 6.219 -3.916 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.854 6.258 -4.320 1.00 0.00 O ATOM 1011 OD2 ASP A 65 7.188 5.228 -3.424 1.00 0.00 O ATOM 0 H ASP A 65 7.925 8.455 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 65 8.528 8.596 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.163 7.544 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.259 7.446 -4.944 1.00 0.00 H new ATOM 1016 N LEU A 66 6.294 10.535 -3.376 1.00 0.00 N ATOM 1017 CA LEU A 66 5.470 11.722 -3.588 1.00 0.00 C ATOM 1018 C LEU A 66 6.294 12.841 -4.219 1.00 0.00 C ATOM 1019 O LEU A 66 5.862 13.473 -5.183 1.00 0.00 O ATOM 1020 CB LEU A 66 4.875 12.199 -2.257 1.00 0.00 C ATOM 1021 CG LEU A 66 4.281 13.601 -2.433 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.881 13.657 -1.817 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.185 14.623 -1.740 1.00 0.00 C ATOM 0 H LEU A 66 6.331 10.208 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 66 4.659 11.460 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.103 11.505 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.646 12.214 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 66 4.211 13.831 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.466 14.657 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.237 12.930 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.942 13.424 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.766 15.622 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.254 14.387 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.180 14.590 -2.185 1.00 0.00 H new ATOM 1035 N VAL A 67 7.479 13.084 -3.670 1.00 0.00 N ATOM 1036 CA VAL A 67 8.349 14.133 -4.191 1.00 0.00 C ATOM 1037 C VAL A 67 8.501 14.003 -5.703 1.00 0.00 C ATOM 1038 O VAL A 67 8.939 14.939 -6.374 1.00 0.00 O ATOM 1039 CB VAL A 67 9.724 14.046 -3.530 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.385 12.718 -3.900 1.00 0.00 C ATOM 1041 CG2 VAL A 67 10.597 15.204 -4.019 1.00 0.00 C ATOM 0 H VAL A 67 7.857 12.574 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 67 7.897 15.099 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 67 9.612 14.106 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.366 12.656 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.763 11.893 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.498 12.657 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.578 15.144 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.709 15.143 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.126 16.151 -3.756 1.00 0.00 H new ATOM 1051 N ALA A 68 8.138 12.841 -6.235 1.00 0.00 N ATOM 1052 CA ALA A 68 8.238 12.604 -7.671 1.00 0.00 C ATOM 1053 C ALA A 68 7.034 13.194 -8.398 1.00 0.00 C ATOM 1054 O ALA A 68 7.134 14.244 -9.032 1.00 0.00 O ATOM 1055 CB ALA A 68 8.320 11.102 -7.950 1.00 0.00 C ATOM 0 H ALA A 68 7.774 12.053 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 68 9.142 13.090 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.394 10.935 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.199 10.688 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.425 10.612 -7.568 1.00 0.00 H new ATOM 1061 N GLY A 69 5.897 12.513 -8.301 1.00 0.00 N ATOM 1062 CA GLY A 69 4.680 12.982 -8.953 1.00 0.00 C ATOM 1063 C GLY A 69 4.798 12.881 -10.470 1.00 0.00 C ATOM 1064 O GLY A 69 3.948 13.387 -11.203 1.00 0.00 O ATOM 0 H GLY A 69 5.793 11.641 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.830 12.392 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.486 14.016 -8.668 1.00 0.00 H new ATOM 1068 N ASN A 70 5.856 12.225 -10.934 1.00 0.00 N ATOM 1069 CA ASN A 70 6.074 12.065 -12.368 1.00 0.00 C ATOM 1070 C ASN A 70 7.117 10.985 -12.635 1.00 0.00 C ATOM 1071 O ASN A 70 8.263 11.284 -12.973 1.00 0.00 O ATOM 1072 CB ASN A 70 6.540 13.388 -12.977 1.00 0.00 C ATOM 1073 CG ASN A 70 6.013 13.519 -14.402 1.00 0.00 C ATOM 1074 OD1 ASN A 70 6.060 12.489 -15.204 1.00 0.00 O flip ATOM 1075 ND2 ASN A 70 5.547 14.588 -14.796 1.00 0.00 N flip ATOM 0 H ASN A 70 6.571 11.799 -10.344 1.00 0.00 H new ATOM 0 HA ASN A 70 5.132 11.766 -12.827 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.186 14.222 -12.371 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.629 13.434 -12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.511 15.391 -14.168 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.197 14.671 -15.750 1.00 0.00 H new ATOM 1082 N GLY A 71 6.714 9.728 -12.481 1.00 0.00 N ATOM 1083 CA GLY A 71 7.625 8.612 -12.710 1.00 0.00 C ATOM 1084 C GLY A 71 7.031 7.307 -12.195 1.00 0.00 C ATOM 1085 O GLY A 71 6.807 6.369 -12.960 1.00 0.00 O ATOM 0 H GLY A 71 5.771 9.458 -12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.837 8.524 -13.776 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.575 8.805 -12.211 1.00 0.00 H new ATOM 1089 N TYR A 72 6.777 7.253 -10.890 1.00 0.00 N ATOM 1090 CA TYR A 72 6.209 6.057 -10.282 1.00 0.00 C ATOM 1091 C TYR A 72 4.734 5.915 -10.649 1.00 0.00 C ATOM 1092 O TYR A 72 4.200 4.807 -10.689 1.00 0.00 O ATOM 1093 CB TYR A 72 6.351 6.125 -8.761 1.00 0.00 C ATOM 1094 CG TYR A 72 6.150 4.748 -8.175 1.00 0.00 C ATOM 1095 CD1 TYR A 72 7.062 3.726 -8.463 1.00 0.00 C ATOM 1096 CD2 TYR A 72 5.052 4.494 -7.345 1.00 0.00 C ATOM 1097 CE1 TYR A 72 6.875 2.449 -7.920 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.865 3.217 -6.802 1.00 0.00 C ATOM 1099 CZ TYR A 72 5.777 2.194 -7.090 1.00 0.00 C ATOM 1100 OH TYR A 72 5.594 0.936 -6.555 1.00 0.00 O ATOM 0 H TYR A 72 6.954 8.018 -10.239 1.00 0.00 H new ATOM 0 HA TYR A 72 6.751 5.190 -10.660 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.337 6.505 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.619 6.818 -8.347 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.909 3.922 -9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.349 5.283 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.578 1.660 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.018 3.021 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 72 4.941 0.983 -5.825 1.00 0.00 H new ATOM 1110 N ARG A 73 4.084 7.043 -10.914 1.00 0.00 N ATOM 1111 CA ARG A 73 2.671 7.028 -11.276 1.00 0.00 C ATOM 1112 C ARG A 73 2.406 5.986 -12.358 1.00 0.00 C ATOM 1113 O ARG A 73 1.314 5.423 -12.436 1.00 0.00 O ATOM 1114 CB ARG A 73 2.245 8.410 -11.777 1.00 0.00 C ATOM 1115 CG ARG A 73 0.756 8.387 -12.133 1.00 0.00 C ATOM 1116 CD ARG A 73 0.159 9.781 -11.924 1.00 0.00 C ATOM 1117 NE ARG A 73 1.192 10.801 -12.063 1.00 0.00 N ATOM 1118 CZ ARG A 73 0.897 12.094 -11.974 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -0.336 12.468 -11.768 1.00 0.00 N ATOM 1120 NH2 ARG A 73 1.839 12.988 -12.097 1.00 0.00 N ATOM 0 H ARG A 73 4.507 7.971 -10.886 1.00 0.00 H new ATOM 0 HA ARG A 73 2.091 6.769 -10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.435 9.161 -11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.834 8.690 -12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.624 8.075 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.234 7.659 -11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.635 9.957 -12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.294 9.845 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 73 2.157 10.517 -12.231 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.072 11.768 -11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.563 13.460 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.802 12.695 -12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.613 13.980 -12.029 1.00 0.00 H new ATOM 1134 N LYS A 74 3.412 5.733 -13.188 1.00 0.00 N ATOM 1135 CA LYS A 74 3.279 4.754 -14.261 1.00 0.00 C ATOM 1136 C LYS A 74 3.124 3.349 -13.687 1.00 0.00 C ATOM 1137 O LYS A 74 2.478 2.490 -14.286 1.00 0.00 O ATOM 1138 CB LYS A 74 4.511 4.804 -15.169 1.00 0.00 C ATOM 1139 CG LYS A 74 4.118 4.398 -16.591 1.00 0.00 C ATOM 1140 CD LYS A 74 3.668 2.935 -16.599 1.00 0.00 C ATOM 1141 CE LYS A 74 4.087 2.280 -17.916 1.00 0.00 C ATOM 1142 NZ LYS A 74 3.396 0.966 -18.059 1.00 0.00 N ATOM 0 H LYS A 74 4.323 6.189 -13.139 1.00 0.00 H new ATOM 0 HA LYS A 74 2.390 4.997 -14.842 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.933 5.809 -15.171 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.283 4.134 -14.789 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.314 5.039 -16.954 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.963 4.533 -17.266 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.112 2.402 -15.758 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.586 2.875 -16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.834 2.929 -18.754 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.168 2.139 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.104 0.211 -18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.816 0.785 -17.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.786 0.985 -18.901 1.00 0.00 H new ATOM 1156 N ARG A 75 3.721 3.127 -12.521 1.00 0.00 N ATOM 1157 CA ARG A 75 3.647 1.825 -11.868 1.00 0.00 C ATOM 1158 C ARG A 75 2.212 1.514 -11.452 1.00 0.00 C ATOM 1159 O ARG A 75 1.777 0.363 -11.502 1.00 0.00 O ATOM 1160 CB ARG A 75 4.551 1.816 -10.634 1.00 0.00 C ATOM 1161 CG ARG A 75 4.547 0.420 -10.010 1.00 0.00 C ATOM 1162 CD ARG A 75 5.453 -0.506 -10.825 1.00 0.00 C ATOM 1163 NE ARG A 75 6.731 0.144 -11.091 1.00 0.00 N ATOM 1164 CZ ARG A 75 7.678 -0.466 -11.797 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.473 -1.668 -12.262 1.00 0.00 N ATOM 1166 NH2 ARG A 75 8.813 0.137 -12.024 1.00 0.00 N ATOM 0 H ARG A 75 4.259 3.828 -12.011 1.00 0.00 H new ATOM 0 HA ARG A 75 3.980 1.063 -12.573 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.566 2.099 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.202 2.551 -9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.894 0.470 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.532 0.024 -9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.617 -1.437 -10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.967 -0.767 -11.765 1.00 0.00 H new ATOM 0 HE ARG A 75 6.901 1.082 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.586 -2.139 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.200 -2.136 -12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.973 1.076 -11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.540 -0.331 -12.566 1.00 0.00 H new ATOM 1180 N LEU A 76 1.482 2.546 -11.040 1.00 0.00 N ATOM 1181 CA LEU A 76 0.098 2.372 -10.614 1.00 0.00 C ATOM 1182 C LEU A 76 -0.784 1.981 -11.796 1.00 0.00 C ATOM 1183 O LEU A 76 -1.545 1.016 -11.722 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.425 3.667 -9.992 1.00 0.00 C ATOM 1185 CG LEU A 76 -0.093 3.688 -8.498 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -0.117 5.130 -7.989 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -1.132 2.863 -7.734 1.00 0.00 C ATOM 0 H LEU A 76 1.823 3.506 -10.992 1.00 0.00 H new ATOM 0 HA LEU A 76 0.066 1.574 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.024 4.528 -10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.503 3.743 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 76 0.899 3.263 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.119 5.144 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.621 5.720 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.108 5.555 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.897 2.877 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.123 3.289 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.117 1.835 -8.095 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.679 2.736 -12.884 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.476 2.458 -14.075 1.00 0.00 C ATOM 1201 C VAL A 77 -1.278 1.015 -14.528 1.00 0.00 C ATOM 1202 O VAL A 77 -2.223 0.354 -14.957 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.076 3.410 -15.203 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -1.857 3.055 -16.470 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.399 4.847 -14.793 1.00 0.00 C ATOM 0 H VAL A 77 -0.056 3.539 -12.967 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.527 2.607 -13.830 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.007 3.317 -15.396 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.573 3.733 -17.275 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.630 2.030 -16.762 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.926 3.149 -16.277 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.115 5.527 -15.596 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.468 4.939 -14.601 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.845 5.101 -13.889 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.044 0.534 -14.427 1.00 0.00 N ATOM 1216 CA ARG A 78 0.270 -0.833 -14.830 1.00 0.00 C ATOM 1217 C ARG A 78 -0.356 -1.835 -13.864 1.00 0.00 C ATOM 1218 O ARG A 78 -0.882 -2.867 -14.279 1.00 0.00 O ATOM 1219 CB ARG A 78 1.786 -1.031 -14.862 1.00 0.00 C ATOM 1220 CG ARG A 78 2.120 -2.320 -15.619 1.00 0.00 C ATOM 1221 CD ARG A 78 3.056 -2.002 -16.787 1.00 0.00 C ATOM 1222 NE ARG A 78 3.732 -3.214 -17.238 1.00 0.00 N ATOM 1223 CZ ARG A 78 4.121 -3.355 -18.502 1.00 0.00 C ATOM 1224 NH1 ARG A 78 3.896 -2.402 -19.364 1.00 0.00 N ATOM 1225 NH2 ARG A 78 4.730 -4.445 -18.879 1.00 0.00 N ATOM 0 H ARG A 78 0.751 1.066 -14.072 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.140 -1.002 -15.826 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.264 -0.179 -15.346 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.178 -1.082 -13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.592 -3.037 -14.947 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.206 -2.784 -15.989 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.488 -1.567 -17.609 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.792 -1.259 -16.480 1.00 0.00 H new ATOM 0 HE ARG A 78 3.909 -3.966 -16.572 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.422 -1.549 -19.069 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.194 -2.510 -20.333 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.908 -5.189 -18.204 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.028 -4.553 -19.848 1.00 0.00 H new ATOM 1239 N VAL A 79 -0.295 -1.522 -12.574 1.00 0.00 N ATOM 1240 CA VAL A 79 -0.858 -2.401 -11.555 1.00 0.00 C ATOM 1241 C VAL A 79 -2.373 -2.498 -11.706 1.00 0.00 C ATOM 1242 O VAL A 79 -2.964 -3.553 -11.473 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.517 -1.868 -10.163 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.449 -2.503 -9.129 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.934 -2.220 -9.826 1.00 0.00 C ATOM 0 H VAL A 79 0.136 -0.672 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.428 -3.395 -11.681 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.643 -0.785 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.205 -2.122 -8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.483 -2.254 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.324 -3.586 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.179 -1.841 -8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.059 -3.303 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.599 -1.767 -10.562 1.00 0.00 H new ATOM 1255 N ARG A 80 -2.995 -1.391 -12.097 1.00 0.00 N ATOM 1256 CA ARG A 80 -4.442 -1.361 -12.275 1.00 0.00 C ATOM 1257 C ARG A 80 -4.824 -1.866 -13.662 1.00 0.00 C ATOM 1258 O ARG A 80 -5.912 -2.407 -13.858 1.00 0.00 O ATOM 1259 CB ARG A 80 -4.956 0.068 -12.089 1.00 0.00 C ATOM 1260 CG ARG A 80 -6.450 0.125 -12.424 1.00 0.00 C ATOM 1261 CD ARG A 80 -6.654 0.768 -13.799 1.00 0.00 C ATOM 1262 NE ARG A 80 -8.034 1.218 -13.946 1.00 0.00 N ATOM 1263 CZ ARG A 80 -8.956 0.446 -14.513 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -8.635 -0.743 -14.947 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -10.181 0.877 -14.635 1.00 0.00 N ATOM 0 H ARG A 80 -2.524 -0.508 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.896 -2.013 -11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.791 0.394 -11.062 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.402 0.751 -12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.871 -0.880 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.980 0.698 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.974 1.612 -13.918 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.412 0.051 -14.583 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.297 2.143 -13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.677 -1.079 -14.851 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.342 -1.335 -15.382 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.431 1.806 -14.296 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.889 0.285 -15.070 1.00 0.00 H new ATOM 1279 N ASN A 81 -3.923 -1.684 -14.621 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.175 -2.127 -15.988 1.00 0.00 C ATOM 1281 C ASN A 81 -3.896 -3.619 -16.129 1.00 0.00 C ATOM 1282 O ASN A 81 -4.271 -4.239 -17.125 1.00 0.00 O ATOM 1283 CB ASN A 81 -3.291 -1.347 -16.962 1.00 0.00 C ATOM 1284 CG ASN A 81 -3.372 -1.968 -18.353 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -4.421 -1.921 -18.995 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -2.319 -2.551 -18.858 1.00 0.00 N ATOM 0 H ASN A 81 -3.018 -1.236 -14.479 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.224 -1.942 -16.221 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.610 -0.305 -17.001 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.259 -1.352 -16.612 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.364 -2.969 -19.787 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.451 -2.588 -18.323 1.00 0.00 H new ATOM 1293 N SER A 82 -3.235 -4.191 -15.128 1.00 0.00 N ATOM 1294 CA SER A 82 -2.912 -5.613 -15.152 1.00 0.00 C ATOM 1295 C SER A 82 -4.176 -6.443 -15.352 1.00 0.00 C ATOM 1296 O SER A 82 -4.121 -7.564 -15.857 1.00 0.00 O ATOM 1297 CB SER A 82 -2.234 -6.019 -13.843 1.00 0.00 C ATOM 1298 OG SER A 82 -1.032 -6.719 -14.136 1.00 0.00 O ATOM 0 H SER A 82 -2.914 -3.696 -14.296 1.00 0.00 H new ATOM 0 HA SER A 82 -2.232 -5.798 -15.983 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.017 -5.135 -13.243 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.901 -6.649 -13.254 1.00 0.00 H new ATOM 0 HG SER A 82 -0.593 -6.980 -13.299 1.00 0.00 H new ATOM 1304 N ASN A 83 -5.313 -5.884 -14.952 1.00 0.00 N ATOM 1305 CA ASN A 83 -6.586 -6.581 -15.094 1.00 0.00 C ATOM 1306 C ASN A 83 -7.742 -5.679 -14.676 1.00 0.00 C ATOM 1307 O ASN A 83 -8.029 -4.677 -15.333 1.00 0.00 O ATOM 1308 CB ASN A 83 -6.587 -7.846 -14.233 1.00 0.00 C ATOM 1309 CG ASN A 83 -7.940 -8.542 -14.331 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -8.854 -8.036 -14.983 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -8.126 -9.678 -13.716 1.00 0.00 N ATOM 0 H ASN A 83 -5.380 -4.958 -14.530 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.714 -6.853 -16.142 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.797 -8.521 -14.562 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.375 -7.590 -13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.029 -10.148 -13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.368 -10.096 -13.176 1.00 0.00 H new ATOM 1318 N ASN A 84 -8.402 -6.040 -13.582 1.00 0.00 N ATOM 1319 CA ASN A 84 -9.527 -5.256 -13.086 1.00 0.00 C ATOM 1320 C ASN A 84 -9.956 -5.753 -11.709 1.00 0.00 C ATOM 1321 O ASN A 84 -10.984 -6.417 -11.568 1.00 0.00 O ATOM 1322 CB ASN A 84 -10.702 -5.360 -14.062 1.00 0.00 C ATOM 1323 CG ASN A 84 -11.391 -4.006 -14.194 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -11.891 -3.664 -15.266 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -11.449 -3.209 -13.161 1.00 0.00 N ATOM 0 H ASN A 84 -8.180 -6.865 -13.025 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.217 -4.214 -13.002 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.347 -5.693 -15.037 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.414 -6.107 -13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.909 -2.302 -13.242 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.034 -3.493 -12.273 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.161 -5.431 -10.694 1.00 0.00 N ATOM 1333 CA LEU A 85 -9.470 -5.855 -9.333 1.00 0.00 C ATOM 1334 C LEU A 85 -9.326 -4.691 -8.360 1.00 0.00 C ATOM 1335 O LEU A 85 -8.678 -3.689 -8.663 1.00 0.00 O ATOM 1336 CB LEU A 85 -8.532 -6.990 -8.915 1.00 0.00 C ATOM 1337 CG LEU A 85 -7.386 -7.102 -9.921 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.541 -5.827 -9.877 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -6.511 -8.306 -9.561 1.00 0.00 C ATOM 0 H LEU A 85 -8.306 -4.883 -10.786 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.502 -6.206 -9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.137 -6.800 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.081 -7.930 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.793 -7.233 -10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.724 -5.907 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.164 -4.969 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.133 -5.696 -8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.693 -8.388 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.104 -8.173 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.112 -9.215 -9.591 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.934 -4.833 -7.187 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.869 -3.793 -6.168 1.00 0.00 C ATOM 1353 C LYS A 86 -8.564 -3.894 -5.386 1.00 0.00 C ATOM 1354 O LYS A 86 -8.298 -4.903 -4.732 1.00 0.00 O ATOM 1355 CB LYS A 86 -11.051 -3.932 -5.208 1.00 0.00 C ATOM 1356 CG LYS A 86 -10.828 -5.143 -4.301 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.164 -5.595 -3.708 1.00 0.00 C ATOM 1358 CE LYS A 86 -11.913 -6.650 -2.628 1.00 0.00 C ATOM 1359 NZ LYS A 86 -12.647 -7.899 -2.975 1.00 0.00 N ATOM 0 H LYS A 86 -10.475 -5.655 -6.919 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.912 -2.822 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.155 -3.028 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.978 -4.050 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.377 -5.957 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.132 -4.888 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.692 -4.742 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.801 -6.006 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.845 -6.854 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.243 -6.279 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.477 -8.617 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.666 -7.698 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.311 -8.255 -3.893 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.753 -2.845 -5.456 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.477 -2.832 -4.749 1.00 0.00 C ATOM 1375 C GLY A 87 -6.329 -1.569 -3.911 1.00 0.00 C ATOM 1376 O GLY A 87 -6.668 -0.472 -4.357 1.00 0.00 O ATOM 0 H GLY A 87 -7.953 -1.999 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.405 -3.709 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.659 -2.894 -5.467 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.817 -1.729 -2.694 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.624 -0.592 -1.802 1.00 0.00 C ATOM 1382 C ILE A 88 -4.213 -0.033 -1.949 1.00 0.00 C ATOM 1383 O ILE A 88 -3.251 -0.785 -2.108 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.860 -1.023 -0.353 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -7.250 -1.651 -0.233 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.773 0.199 0.563 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -7.436 -2.214 1.178 1.00 0.00 C ATOM 0 H ILE A 88 -5.531 -2.628 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.339 0.186 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.103 -1.750 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.017 -0.905 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.367 -2.445 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.941 -0.107 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.785 0.650 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.531 0.926 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.426 -2.661 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.677 -2.973 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.337 -1.409 1.907 1.00 0.00 H new ATOM 1399 N VAL A 89 -4.096 1.291 -1.903 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.796 1.938 -2.040 1.00 0.00 C ATOM 1401 C VAL A 89 -2.425 2.678 -0.757 1.00 0.00 C ATOM 1402 O VAL A 89 -3.007 3.714 -0.437 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.826 2.923 -3.211 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.751 3.994 -3.009 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -2.555 2.172 -4.518 1.00 0.00 C ATOM 0 H VAL A 89 -4.879 1.932 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.046 1.170 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.806 3.397 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.774 4.694 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.942 4.531 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.770 3.521 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.576 2.874 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.575 1.697 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.320 1.410 -4.665 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.448 2.142 -0.032 1.00 0.00 N ATOM 1416 CA VAL A 90 -1.002 2.763 1.211 1.00 0.00 C ATOM 1417 C VAL A 90 0.134 3.742 0.938 1.00 0.00 C ATOM 1418 O VAL A 90 0.971 3.508 0.065 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.529 1.691 2.191 1.00 0.00 C ATOM 1420 CG1 VAL A 90 -0.812 2.148 3.624 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.277 0.385 1.916 1.00 0.00 C ATOM 0 H VAL A 90 -0.953 1.286 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.841 3.306 1.647 1.00 0.00 H new ATOM 0 HB VAL A 90 0.542 1.531 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.474 1.383 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.281 3.079 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.883 2.308 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.941 -0.381 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.348 0.546 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.076 0.059 0.896 1.00 0.00 H new ATOM 1431 N VAL A 91 0.159 4.840 1.687 1.00 0.00 N ATOM 1432 CA VAL A 91 1.200 5.846 1.513 1.00 0.00 C ATOM 1433 C VAL A 91 1.823 6.214 2.855 1.00 0.00 C ATOM 1434 O VAL A 91 1.127 6.336 3.862 1.00 0.00 O ATOM 1435 CB VAL A 91 0.607 7.098 0.863 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.713 8.133 0.644 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.020 6.726 -0.484 1.00 0.00 C ATOM 0 H VAL A 91 -0.523 5.055 2.414 1.00 0.00 H new ATOM 0 HA VAL A 91 1.976 5.432 0.869 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.158 7.518 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.290 9.025 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.158 8.398 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.479 7.714 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.443 7.618 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.744 6.305 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.809 5.990 -0.327 1.00 0.00 H new ATOM 1447 N GLU A 92 3.141 6.391 2.860 1.00 0.00 N ATOM 1448 CA GLU A 92 3.848 6.746 4.085 1.00 0.00 C ATOM 1449 C GLU A 92 3.940 8.262 4.230 1.00 0.00 C ATOM 1450 O GLU A 92 4.403 8.954 3.323 1.00 0.00 O ATOM 1451 CB GLU A 92 5.255 6.146 4.071 1.00 0.00 C ATOM 1452 CG GLU A 92 5.778 6.035 5.504 1.00 0.00 C ATOM 1453 CD GLU A 92 7.070 5.225 5.528 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.070 4.132 4.985 1.00 0.00 O ATOM 1455 OE2 GLU A 92 8.040 5.710 6.086 1.00 0.00 O ATOM 0 H GLU A 92 3.736 6.295 2.037 1.00 0.00 H new ATOM 0 HA GLU A 92 3.292 6.344 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.237 5.162 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.922 6.771 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.955 7.030 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.029 5.559 6.137 1.00 0.00 H new ATOM 1462 N LYS A 93 3.495 8.771 5.373 1.00 0.00 N ATOM 1463 CA LYS A 93 3.531 10.207 5.624 1.00 0.00 C ATOM 1464 C LYS A 93 4.840 10.602 6.299 1.00 0.00 C ATOM 1465 O LYS A 93 5.342 9.889 7.168 1.00 0.00 O ATOM 1466 CB LYS A 93 2.354 10.613 6.512 1.00 0.00 C ATOM 1467 CG LYS A 93 1.048 10.132 5.876 1.00 0.00 C ATOM 1468 CD LYS A 93 -0.097 10.300 6.876 1.00 0.00 C ATOM 1469 CE LYS A 93 -0.580 11.751 6.860 1.00 0.00 C ATOM 1470 NZ LYS A 93 -1.149 12.099 8.192 1.00 0.00 N ATOM 0 H LYS A 93 3.108 8.215 6.136 1.00 0.00 H new ATOM 0 HA LYS A 93 3.459 10.724 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.468 10.181 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.334 11.696 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.841 10.702 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.138 9.086 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.918 9.630 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.238 10.028 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.248 12.419 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.333 11.886 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.478 13.086 8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.950 11.469 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.417 11.985 8.922 1.00 0.00 H new ATOM 1484 N THR A 94 5.385 11.743 5.893 1.00 0.00 N ATOM 1485 CA THR A 94 6.634 12.226 6.465 1.00 0.00 C ATOM 1486 C THR A 94 6.622 13.745 6.564 1.00 0.00 C ATOM 1487 O THR A 94 6.496 14.305 7.653 1.00 0.00 O ATOM 1488 CB THR A 94 7.815 11.777 5.601 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.534 12.053 4.237 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.043 10.274 5.784 1.00 0.00 C ATOM 0 H THR A 94 4.984 12.347 5.175 1.00 0.00 H new ATOM 0 HA THR A 94 6.739 11.808 7.466 1.00 0.00 H new ATOM 0 HB THR A 94 8.712 12.317 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.211 12.666 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.884 9.956 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.260 10.064 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.147 9.731 5.483 1.00 0.00 H new ATOM 1498 N ARG A 95 6.750 14.408 5.421 1.00 0.00 N ATOM 1499 CA ARG A 95 6.749 15.866 5.395 1.00 0.00 C ATOM 1500 C ARG A 95 6.174 16.375 4.078 1.00 0.00 C ATOM 1501 O ARG A 95 5.056 16.887 4.035 1.00 0.00 O ATOM 1502 CB ARG A 95 8.172 16.401 5.575 1.00 0.00 C ATOM 1503 CG ARG A 95 9.148 15.234 5.734 1.00 0.00 C ATOM 1504 CD ARG A 95 10.568 15.778 5.888 1.00 0.00 C ATOM 1505 NE ARG A 95 10.554 17.236 5.863 1.00 0.00 N ATOM 1506 CZ ARG A 95 11.568 17.942 6.351 1.00 0.00 C ATOM 1507 NH1 ARG A 95 12.597 17.331 6.872 1.00 0.00 N ATOM 1508 NH2 ARG A 95 11.534 19.246 6.313 1.00 0.00 N ATOM 0 H ARG A 95 6.855 13.965 4.508 1.00 0.00 H new ATOM 0 HA ARG A 95 6.126 16.222 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.454 17.008 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.219 17.048 6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.879 14.637 6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.091 14.577 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.000 15.427 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.200 15.399 5.084 1.00 0.00 H new ATOM 0 HE ARG A 95 9.751 17.722 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.622 16.312 6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.376 17.873 7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.729 19.724 5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.313 19.788 6.688 1.00 0.00 H new ATOM 1522 N MET A 96 6.945 16.228 3.007 1.00 0.00 N ATOM 1523 CA MET A 96 6.500 16.675 1.694 1.00 0.00 C ATOM 1524 C MET A 96 5.221 15.951 1.290 1.00 0.00 C ATOM 1525 O MET A 96 4.620 16.259 0.261 1.00 0.00 O ATOM 1526 CB MET A 96 7.589 16.408 0.654 1.00 0.00 C ATOM 1527 CG MET A 96 8.868 17.144 1.056 1.00 0.00 C ATOM 1528 SD MET A 96 10.174 16.783 -0.144 1.00 0.00 S ATOM 1529 CE MET A 96 11.339 18.051 0.408 1.00 0.00 C ATOM 0 H MET A 96 7.874 15.806 3.022 1.00 0.00 H new ATOM 0 HA MET A 96 6.300 17.745 1.743 1.00 0.00 H new ATOM 0 HB2 MET A 96 7.781 15.338 0.579 1.00 0.00 H new ATOM 0 HB3 MET A 96 7.258 16.742 -0.329 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.685 18.218 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 96 9.180 16.835 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 96 12.239 18.011 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 96 10.879 19.034 0.313 1.00 0.00 H new ATOM 0 HE3 MET A 96 11.603 17.873 1.451 1.00 0.00 H new ATOM 1539 N SER A 97 4.811 14.987 2.107 1.00 0.00 N ATOM 1540 CA SER A 97 3.602 14.226 1.822 1.00 0.00 C ATOM 1541 C SER A 97 2.361 15.078 2.076 1.00 0.00 C ATOM 1542 O SER A 97 1.817 15.682 1.154 1.00 0.00 O ATOM 1543 CB SER A 97 3.558 12.967 2.688 1.00 0.00 C ATOM 1544 OG SER A 97 3.490 11.823 1.847 1.00 0.00 O ATOM 0 H SER A 97 5.293 14.716 2.964 1.00 0.00 H new ATOM 0 HA SER A 97 3.615 13.935 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 97 4.444 12.916 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.694 12.997 3.351 1.00 0.00 H new ATOM 0 HG SER A 97 3.757 11.028 2.354 1.00 0.00 H new ATOM 1550 N GLU A 98 1.920 15.123 3.328 1.00 0.00 N ATOM 1551 CA GLU A 98 0.740 15.906 3.687 1.00 0.00 C ATOM 1552 C GLU A 98 0.679 17.194 2.871 1.00 0.00 C ATOM 1553 O GLU A 98 -0.395 17.762 2.673 1.00 0.00 O ATOM 1554 CB GLU A 98 0.774 16.249 5.176 1.00 0.00 C ATOM 1555 CG GLU A 98 1.506 15.143 5.939 1.00 0.00 C ATOM 1556 CD GLU A 98 3.013 15.344 5.829 1.00 0.00 C ATOM 1557 OE1 GLU A 98 3.434 16.485 5.737 1.00 0.00 O ATOM 1558 OE2 GLU A 98 3.725 14.353 5.841 1.00 0.00 O ATOM 0 H GLU A 98 2.357 14.631 4.107 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.146 15.309 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.276 17.204 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.241 16.358 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.205 15.152 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.230 14.168 5.536 1.00 0.00 H new ATOM 1565 N GLN A 99 1.836 17.653 2.407 1.00 0.00 N ATOM 1566 CA GLN A 99 1.897 18.882 1.622 1.00 0.00 C ATOM 1567 C GLN A 99 1.247 18.691 0.256 1.00 0.00 C ATOM 1568 O GLN A 99 0.334 19.429 -0.116 1.00 0.00 O ATOM 1569 CB GLN A 99 3.353 19.307 1.433 1.00 0.00 C ATOM 1570 CG GLN A 99 3.890 19.881 2.742 1.00 0.00 C ATOM 1571 CD GLN A 99 3.904 21.404 2.675 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.039 22.059 3.258 1.00 0.00 O ATOM 1573 NE2 GLN A 99 4.838 22.010 1.995 1.00 0.00 N ATOM 0 H GLN A 99 2.737 17.198 2.558 1.00 0.00 H new ATOM 0 HA GLN A 99 1.353 19.656 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.955 18.453 1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.426 20.051 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.270 19.551 3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.897 19.507 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.553 21.465 1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.853 23.029 1.945 1.00 0.00 H new ATOM 1582 N TYR A 100 1.725 17.701 -0.489 1.00 0.00 N ATOM 1583 CA TYR A 100 1.182 17.428 -1.816 1.00 0.00 C ATOM 1584 C TYR A 100 0.561 16.037 -1.869 1.00 0.00 C ATOM 1585 O TYR A 100 0.222 15.538 -2.943 1.00 0.00 O ATOM 1586 CB TYR A 100 2.290 17.534 -2.867 1.00 0.00 C ATOM 1587 CG TYR A 100 3.094 18.789 -2.624 1.00 0.00 C ATOM 1588 CD1 TYR A 100 4.204 18.756 -1.773 1.00 0.00 C ATOM 1589 CD2 TYR A 100 2.729 19.986 -3.253 1.00 0.00 C ATOM 1590 CE1 TYR A 100 4.950 19.920 -1.549 1.00 0.00 C ATOM 1591 CE2 TYR A 100 3.474 21.149 -3.029 1.00 0.00 C ATOM 1592 CZ TYR A 100 4.585 21.117 -2.177 1.00 0.00 C ATOM 1593 OH TYR A 100 5.321 22.264 -1.958 1.00 0.00 O ATOM 0 H TYR A 100 2.480 17.079 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 100 0.408 18.166 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.938 16.659 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.857 17.554 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.486 17.833 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.873 20.011 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.807 19.894 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.192 22.072 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 100 4.933 23.004 -2.470 1.00 0.00 H new ATOM 1603 N PHE A 101 0.408 15.416 -0.706 1.00 0.00 N ATOM 1604 CA PHE A 101 -0.178 14.085 -0.634 1.00 0.00 C ATOM 1605 C PHE A 101 -1.606 14.103 -1.182 1.00 0.00 C ATOM 1606 O PHE A 101 -1.907 13.426 -2.166 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.169 13.583 0.814 1.00 0.00 C ATOM 1608 CG PHE A 101 -1.326 12.637 1.037 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -1.636 11.674 0.070 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -2.089 12.724 2.207 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -2.707 10.796 0.274 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -3.160 11.846 2.412 1.00 0.00 C ATOM 1613 CZ PHE A 101 -3.470 10.882 1.445 1.00 0.00 C ATOM 0 H PHE A 101 0.680 15.810 0.195 1.00 0.00 H new ATOM 0 HA PHE A 101 0.418 13.406 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.772 13.077 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.240 14.426 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.049 11.608 -0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.851 13.469 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.945 10.052 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.747 11.912 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.297 10.205 1.602 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.484 14.865 -0.576 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.904 14.973 -1.025 1.00 0.00 C ATOM 1625 C PRO A 102 -4.008 15.353 -2.499 1.00 0.00 C ATOM 1626 O PRO A 102 -4.829 14.803 -3.235 1.00 0.00 O ATOM 1627 CB PRO A 102 -4.504 16.071 -0.134 1.00 0.00 C ATOM 1628 CG PRO A 102 -3.347 16.740 0.536 1.00 0.00 C ATOM 1629 CD PRO A 102 -2.229 15.706 0.600 1.00 0.00 C ATOM 0 HA PRO A 102 -4.429 14.022 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.077 16.784 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.188 15.646 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.030 17.620 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.620 17.079 1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.245 16.173 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.266 15.129 1.524 1.00 0.00 H new ATOM 1637 N ALA A 103 -3.173 16.296 -2.926 1.00 0.00 N ATOM 1638 CA ALA A 103 -3.185 16.736 -4.316 1.00 0.00 C ATOM 1639 C ALA A 103 -3.151 15.533 -5.253 1.00 0.00 C ATOM 1640 O ALA A 103 -3.853 15.500 -6.263 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.979 17.638 -4.590 1.00 0.00 C ATOM 0 H ALA A 103 -2.486 16.766 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.102 17.298 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.996 17.962 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.021 18.510 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.060 17.085 -4.397 1.00 0.00 H new ATOM 1647 N LEU A 104 -2.331 14.546 -4.906 1.00 0.00 N ATOM 1648 CA LEU A 104 -2.213 13.342 -5.719 1.00 0.00 C ATOM 1649 C LEU A 104 -3.410 12.426 -5.489 1.00 0.00 C ATOM 1650 O LEU A 104 -3.945 11.842 -6.431 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.923 12.600 -5.370 1.00 0.00 C ATOM 1652 CG LEU A 104 -0.400 11.873 -6.610 1.00 0.00 C ATOM 1653 CD1 LEU A 104 0.543 12.797 -7.383 1.00 0.00 C ATOM 1654 CD2 LEU A 104 0.359 10.616 -6.179 1.00 0.00 C ATOM 0 H LEU A 104 -1.742 14.556 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.188 13.634 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.174 13.303 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.108 11.886 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.238 11.593 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.916 12.279 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.004 13.694 -7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.382 13.077 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.733 10.096 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.197 10.898 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.311 9.958 -5.627 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.826 12.306 -4.232 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.963 11.460 -3.896 1.00 0.00 C ATOM 1668 C GLN A 105 -6.157 11.800 -4.782 1.00 0.00 C ATOM 1669 O GLN A 105 -6.932 10.922 -5.161 1.00 0.00 O ATOM 1670 CB GLN A 105 -5.346 11.653 -2.427 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.539 10.756 -2.093 1.00 0.00 C ATOM 1672 CD GLN A 105 -6.884 10.876 -0.613 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -6.635 11.913 0.002 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -7.446 9.871 0.000 1.00 0.00 N ATOM 0 H GLN A 105 -3.397 12.779 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.681 10.420 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.501 11.408 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.597 12.697 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.399 11.040 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.305 9.720 -2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.652 9.012 -0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.680 9.944 0.990 1.00 0.00 H new ATOM 1683 N LYS A 106 -6.294 13.079 -5.111 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.393 13.525 -5.957 1.00 0.00 C ATOM 1685 C LYS A 106 -7.263 12.924 -7.353 1.00 0.00 C ATOM 1686 O LYS A 106 -8.209 12.339 -7.879 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.394 15.052 -6.053 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.814 15.545 -6.337 1.00 0.00 C ATOM 1689 CD LYS A 106 -8.761 16.712 -7.325 1.00 0.00 C ATOM 1690 CE LYS A 106 -10.179 17.066 -7.778 1.00 0.00 C ATOM 1691 NZ LYS A 106 -10.520 18.438 -7.308 1.00 0.00 N ATOM 0 H LYS A 106 -5.663 13.820 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.331 13.192 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.026 15.486 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.720 15.378 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.417 14.735 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.293 15.861 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.291 17.577 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.149 16.445 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.249 17.014 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.891 16.345 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.484 18.681 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.468 18.472 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.846 19.120 -7.711 1.00 0.00 H new ATOM 1705 N PHE A 107 -6.082 13.071 -7.945 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.835 12.536 -9.278 1.00 0.00 C ATOM 1707 C PHE A 107 -5.961 11.016 -9.274 1.00 0.00 C ATOM 1708 O PHE A 107 -6.728 10.444 -10.048 1.00 0.00 O ATOM 1709 CB PHE A 107 -4.432 12.931 -9.747 1.00 0.00 C ATOM 1710 CG PHE A 107 -4.531 14.037 -10.770 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.670 15.366 -10.352 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -4.483 13.735 -12.135 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -4.760 16.392 -11.301 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -4.573 14.760 -13.084 1.00 0.00 C ATOM 1715 CZ PHE A 107 -4.712 16.089 -12.666 1.00 0.00 C ATOM 0 H PHE A 107 -5.287 13.553 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.577 12.951 -9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.833 13.260 -8.898 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.926 12.068 -10.178 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.708 15.600 -9.298 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.376 12.710 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.866 17.417 -10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -4.535 14.526 -14.138 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.782 16.880 -13.397 1.00 0.00 H new ATOM 1725 N THR A 108 -5.200 10.368 -8.396 1.00 0.00 N ATOM 1726 CA THR A 108 -5.233 8.914 -8.298 1.00 0.00 C ATOM 1727 C THR A 108 -6.673 8.418 -8.226 1.00 0.00 C ATOM 1728 O THR A 108 -7.024 7.411 -8.842 1.00 0.00 O ATOM 1729 CB THR A 108 -4.469 8.456 -7.055 1.00 0.00 C ATOM 1730 OG1 THR A 108 -4.424 9.517 -6.110 1.00 0.00 O ATOM 1731 CG2 THR A 108 -3.045 8.060 -7.447 1.00 0.00 C ATOM 0 H THR A 108 -4.558 10.824 -7.747 1.00 0.00 H new ATOM 0 HA THR A 108 -4.760 8.496 -9.187 1.00 0.00 H new ATOM 0 HB THR A 108 -4.975 7.597 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.710 10.143 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.501 7.734 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.080 7.246 -8.171 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.537 8.917 -7.889 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.502 9.131 -7.473 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.903 8.753 -7.334 1.00 0.00 C ATOM 1741 C VAL A 109 -9.634 8.938 -8.659 1.00 0.00 C ATOM 1742 O VAL A 109 -10.226 8.000 -9.191 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.572 9.608 -6.256 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -11.087 9.591 -6.461 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -9.241 9.038 -4.875 1.00 0.00 C ATOM 0 H VAL A 109 -7.232 9.966 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.952 7.704 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.205 10.632 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.565 10.200 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.326 9.995 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.452 8.566 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.717 9.647 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.608 8.014 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.161 9.047 -4.727 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.587 10.154 -9.190 1.00 0.00 N ATOM 1756 CA LEU A 110 -10.246 10.449 -10.454 1.00 0.00 C ATOM 1757 C LEU A 110 -9.666 9.590 -11.574 1.00 0.00 C ATOM 1758 O LEU A 110 -10.347 9.283 -12.552 1.00 0.00 O ATOM 1759 CB LEU A 110 -10.069 11.929 -10.802 1.00 0.00 C ATOM 1760 CG LEU A 110 -11.301 12.712 -10.345 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -12.492 12.362 -11.240 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -11.628 12.348 -8.895 1.00 0.00 C ATOM 0 H LEU A 110 -9.103 10.946 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.307 10.224 -10.350 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.175 12.323 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.928 12.046 -11.876 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.097 13.781 -10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -13.369 12.921 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.260 12.622 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -12.696 11.293 -11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -12.506 12.906 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -11.830 11.279 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.781 12.599 -8.257 1.00 0.00 H new ATOM 1774 N ASP A 111 -8.401 9.212 -11.426 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.733 8.395 -12.434 1.00 0.00 C ATOM 1776 C ASP A 111 -8.021 6.909 -12.227 1.00 0.00 C ATOM 1777 O ASP A 111 -8.431 6.214 -13.156 1.00 0.00 O ATOM 1778 CB ASP A 111 -6.223 8.635 -12.380 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.849 9.812 -13.272 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -5.839 9.637 -14.480 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -5.579 10.875 -12.735 1.00 0.00 O ATOM 0 H ASP A 111 -7.820 9.456 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.119 8.685 -13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.915 8.834 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.693 7.740 -12.704 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.792 6.424 -11.009 1.00 0.00 N ATOM 1787 CA LEU A 112 -8.017 5.012 -10.708 1.00 0.00 C ATOM 1788 C LEU A 112 -9.279 4.816 -9.871 1.00 0.00 C ATOM 1789 O LEU A 112 -9.923 3.769 -9.943 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.816 4.443 -9.951 1.00 0.00 C ATOM 1791 CG LEU A 112 -5.810 3.856 -10.944 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -5.187 4.984 -11.767 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.711 3.120 -10.176 1.00 0.00 C ATOM 0 H LEU A 112 -7.455 6.980 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.144 4.485 -11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.343 5.227 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.145 3.672 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.320 3.160 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.471 4.566 -12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.970 5.511 -12.312 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.676 5.680 -11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.993 2.701 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.202 3.818 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.154 2.316 -9.588 1.00 0.00 H new ATOM 1805 N GLY A 113 -9.627 5.820 -9.075 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.813 5.731 -8.230 1.00 0.00 C ATOM 1807 C GLY A 113 -10.742 4.512 -7.316 1.00 0.00 C ATOM 1808 O GLY A 113 -11.762 3.897 -7.006 1.00 0.00 O ATOM 0 H GLY A 113 -9.112 6.697 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.905 6.636 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.705 5.671 -8.854 1.00 0.00 H new ATOM 1812 N MET A 114 -9.532 4.172 -6.883 1.00 0.00 N ATOM 1813 CA MET A 114 -9.343 3.028 -5.998 1.00 0.00 C ATOM 1814 C MET A 114 -9.474 3.459 -4.542 1.00 0.00 C ATOM 1815 O MET A 114 -10.122 4.460 -4.238 1.00 0.00 O ATOM 1816 CB MET A 114 -7.965 2.404 -6.229 1.00 0.00 C ATOM 1817 CG MET A 114 -6.880 3.381 -5.776 1.00 0.00 C ATOM 1818 SD MET A 114 -5.457 3.259 -6.888 1.00 0.00 S ATOM 1819 CE MET A 114 -4.979 5.003 -6.833 1.00 0.00 C ATOM 0 H MET A 114 -8.675 4.667 -7.128 1.00 0.00 H new ATOM 0 HA MET A 114 -10.112 2.288 -6.220 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.881 1.468 -5.676 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.835 2.164 -7.284 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.269 4.399 -5.776 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.577 3.156 -4.754 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.183 5.185 -7.555 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.840 5.624 -7.078 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.625 5.252 -5.833 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.861 2.696 -3.642 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.924 3.014 -2.220 1.00 0.00 C ATOM 1831 C VAL A 115 -7.536 3.328 -1.671 1.00 0.00 C ATOM 1832 O VAL A 115 -6.589 2.570 -1.880 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.523 1.836 -1.451 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -9.907 2.288 -0.041 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.770 1.331 -2.184 1.00 0.00 C ATOM 0 H VAL A 115 -8.320 1.861 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.555 3.894 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.789 1.033 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.334 1.448 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.020 2.648 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -10.641 3.091 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -11.198 0.491 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.504 2.134 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.496 1.008 -3.188 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.425 4.449 -0.965 1.00 0.00 N ATOM 1846 CA LEU A 116 -6.150 4.853 -0.384 1.00 0.00 C ATOM 1847 C LEU A 116 -6.250 4.904 1.137 1.00 0.00 C ATOM 1848 O LEU A 116 -7.125 5.570 1.688 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.742 6.230 -0.912 1.00 0.00 C ATOM 1850 CG LEU A 116 -5.351 6.120 -2.389 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -6.608 5.940 -3.243 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -4.620 7.396 -2.819 1.00 0.00 C ATOM 0 H LEU A 116 -8.197 5.090 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.396 4.118 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.566 6.934 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.905 6.620 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 116 -4.696 5.260 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.326 5.862 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.128 5.032 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.266 6.798 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.341 7.319 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.276 8.255 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.722 7.523 -2.214 1.00 0.00 H new ATOM 1864 N LEU A 117 -5.348 4.198 1.811 1.00 0.00 N ATOM 1865 CA LEU A 117 -5.348 4.172 3.268 1.00 0.00 C ATOM 1866 C LEU A 117 -3.975 4.562 3.811 1.00 0.00 C ATOM 1867 O LEU A 117 -3.144 3.702 4.102 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.718 2.772 3.768 1.00 0.00 C ATOM 1869 CG LEU A 117 -7.060 2.823 4.501 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -8.179 3.134 3.502 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -7.328 1.469 5.164 1.00 0.00 C ATOM 0 H LEU A 117 -4.613 3.641 1.375 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.086 4.891 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.778 2.080 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.942 2.397 4.436 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.029 3.602 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.134 3.170 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.988 4.097 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.212 2.356 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.284 1.503 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.359 0.690 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.532 1.249 5.876 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.734 5.836 3.952 1.00 0.00 N ATOM 1884 CA PRO A 118 -2.438 6.361 4.474 1.00 0.00 C ATOM 1885 C PRO A 118 -2.133 5.836 5.874 1.00 0.00 C ATOM 1886 O PRO A 118 -3.037 5.441 6.610 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.631 7.883 4.496 1.00 0.00 C ATOM 1888 CG PRO A 118 -3.786 8.159 3.591 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.671 6.917 3.625 1.00 0.00 C ATOM 0 HA PRO A 118 -1.596 6.047 3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.833 8.237 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.733 8.396 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.338 9.038 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.444 8.363 2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.458 7.006 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.161 6.747 2.666 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.855 5.836 6.235 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.444 5.359 7.550 1.00 0.00 C ATOM 1899 C VAL A 119 0.391 6.417 8.265 1.00 0.00 C ATOM 1900 O VAL A 119 -0.128 7.441 8.706 1.00 0.00 O ATOM 1901 CB VAL A 119 0.374 4.074 7.412 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.554 2.907 7.072 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.407 4.245 6.295 1.00 0.00 C ATOM 0 H VAL A 119 -0.091 6.158 5.641 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.340 5.157 8.136 1.00 0.00 H new ATOM 0 HB VAL A 119 0.884 3.868 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.032 1.993 6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.290 2.783 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.067 3.112 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.991 3.330 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.896 4.453 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.071 5.074 6.538 1.00 0.00 H new ATOM 1913 N ALA A 120 1.690 6.156 8.373 1.00 0.00 N ATOM 1914 CA ALA A 120 2.599 7.085 9.034 1.00 0.00 C ATOM 1915 C ALA A 120 3.983 6.459 9.168 1.00 0.00 C ATOM 1916 O ALA A 120 4.995 7.159 9.185 1.00 0.00 O ATOM 1917 CB ALA A 120 2.062 7.447 10.420 1.00 0.00 C ATOM 0 H ALA A 120 2.135 5.312 8.013 1.00 0.00 H new ATOM 0 HA ALA A 120 2.674 7.990 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.748 8.141 10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.083 7.915 10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.973 6.543 11.023 1.00 0.00 H new ATOM 1923 N SER A 121 4.014 5.134 9.258 1.00 0.00 N ATOM 1924 CA SER A 121 5.273 4.411 9.386 1.00 0.00 C ATOM 1925 C SER A 121 5.167 3.040 8.726 1.00 0.00 C ATOM 1926 O SER A 121 4.071 2.571 8.420 1.00 0.00 O ATOM 1927 CB SER A 121 5.630 4.241 10.863 1.00 0.00 C ATOM 1928 OG SER A 121 5.110 5.337 11.602 1.00 0.00 O ATOM 0 H SER A 121 3.184 4.541 9.245 1.00 0.00 H new ATOM 0 HA SER A 121 6.055 4.985 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.220 3.305 11.242 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.712 4.187 10.983 1.00 0.00 H new ATOM 0 HG SER A 121 5.336 5.229 12.549 1.00 0.00 H new ATOM 1934 N GLN A 122 6.313 2.403 8.506 1.00 0.00 N ATOM 1935 CA GLN A 122 6.333 1.087 7.880 1.00 0.00 C ATOM 1936 C GLN A 122 5.650 0.057 8.774 1.00 0.00 C ATOM 1937 O GLN A 122 4.905 -0.798 8.294 1.00 0.00 O ATOM 1938 CB GLN A 122 7.777 0.660 7.609 1.00 0.00 C ATOM 1939 CG GLN A 122 8.641 0.955 8.837 1.00 0.00 C ATOM 1940 CD GLN A 122 9.776 1.902 8.463 1.00 0.00 C ATOM 1941 OE1 GLN A 122 9.537 2.950 7.861 1.00 0.00 O ATOM 1942 NE2 GLN A 122 11.002 1.595 8.783 1.00 0.00 N ATOM 0 H GLN A 122 7.232 2.773 8.750 1.00 0.00 H new ATOM 0 HA GLN A 122 5.790 1.145 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.814 -0.404 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.167 1.192 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.030 1.399 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 122 9.048 0.026 9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 122 11.197 0.727 9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.766 2.223 8.535 1.00 0.00 H new ATOM 1951 N MET A 123 5.910 0.142 10.074 1.00 0.00 N ATOM 1952 CA MET A 123 5.313 -0.789 11.024 1.00 0.00 C ATOM 1953 C MET A 123 3.794 -0.655 11.026 1.00 0.00 C ATOM 1954 O MET A 123 3.074 -1.654 11.057 1.00 0.00 O ATOM 1955 CB MET A 123 5.855 -0.521 12.431 1.00 0.00 C ATOM 1956 CG MET A 123 7.382 -0.615 12.417 1.00 0.00 C ATOM 1957 SD MET A 123 8.090 1.029 12.680 1.00 0.00 S ATOM 1958 CE MET A 123 9.825 0.518 12.749 1.00 0.00 C ATOM 0 H MET A 123 6.525 0.840 10.492 1.00 0.00 H new ATOM 0 HA MET A 123 5.575 -1.803 10.722 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.544 0.467 12.770 1.00 0.00 H new ATOM 0 HB3 MET A 123 5.442 -1.244 13.135 1.00 0.00 H new ATOM 0 HG2 MET A 123 7.722 -1.298 13.196 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.723 -1.022 11.465 1.00 0.00 H new ATOM 0 HE1 MET A 123 10.456 1.393 12.908 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.965 -0.185 13.570 1.00 0.00 H new ATOM 0 HE3 MET A 123 10.101 0.038 11.810 1.00 0.00 H new ATOM 1968 N GLU A 124 3.310 0.583 10.992 1.00 0.00 N ATOM 1969 CA GLU A 124 1.871 0.829 10.986 1.00 0.00 C ATOM 1970 C GLU A 124 1.183 -0.092 9.987 1.00 0.00 C ATOM 1971 O GLU A 124 0.245 -0.809 10.332 1.00 0.00 O ATOM 1972 CB GLU A 124 1.592 2.286 10.617 1.00 0.00 C ATOM 1973 CG GLU A 124 1.661 3.153 11.875 1.00 0.00 C ATOM 1974 CD GLU A 124 0.421 2.923 12.733 1.00 0.00 C ATOM 1975 OE1 GLU A 124 -0.631 3.415 12.363 1.00 0.00 O ATOM 1976 OE2 GLU A 124 0.544 2.258 13.749 1.00 0.00 O ATOM 0 H GLU A 124 3.886 1.424 10.968 1.00 0.00 H new ATOM 0 HA GLU A 124 1.479 0.628 11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.320 2.632 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.608 2.373 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.558 2.911 12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.733 4.205 11.599 1.00 0.00 H new ATOM 1983 N ALA A 125 1.663 -0.070 8.749 1.00 0.00 N ATOM 1984 CA ALA A 125 1.099 -0.909 7.702 1.00 0.00 C ATOM 1985 C ALA A 125 1.226 -2.373 8.094 1.00 0.00 C ATOM 1986 O ALA A 125 0.229 -3.084 8.198 1.00 0.00 O ATOM 1987 CB ALA A 125 1.834 -0.662 6.382 1.00 0.00 C ATOM 0 H ALA A 125 2.440 0.519 8.448 1.00 0.00 H new ATOM 0 HA ALA A 125 0.045 -0.660 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.406 -1.294 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.730 0.385 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.890 -0.901 6.503 1.00 0.00 H new ATOM 1993 N SER A 126 2.455 -2.815 8.335 1.00 0.00 N ATOM 1994 CA SER A 126 2.678 -4.193 8.740 1.00 0.00 C ATOM 1995 C SER A 126 1.680 -4.558 9.828 1.00 0.00 C ATOM 1996 O SER A 126 1.223 -5.698 9.918 1.00 0.00 O ATOM 1997 CB SER A 126 4.104 -4.363 9.265 1.00 0.00 C ATOM 1998 OG SER A 126 5.020 -3.822 8.322 1.00 0.00 O ATOM 0 H SER A 126 3.299 -2.247 8.258 1.00 0.00 H new ATOM 0 HA SER A 126 2.543 -4.850 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.213 -3.859 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.318 -5.418 9.433 1.00 0.00 H new ATOM 0 HG SER A 126 5.078 -2.851 8.442 1.00 0.00 H new ATOM 2004 N CYS A 127 1.338 -3.565 10.643 1.00 0.00 N ATOM 2005 CA CYS A 127 0.379 -3.762 11.721 1.00 0.00 C ATOM 2006 C CYS A 127 -1.040 -3.592 11.192 1.00 0.00 C ATOM 2007 O CYS A 127 -1.961 -4.284 11.627 1.00 0.00 O ATOM 2008 CB CYS A 127 0.635 -2.751 12.841 1.00 0.00 C ATOM 2009 SG CYS A 127 0.158 -3.477 14.429 1.00 0.00 S ATOM 0 H CYS A 127 1.711 -2.618 10.577 1.00 0.00 H new ATOM 0 HA CYS A 127 0.496 -4.771 12.116 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.688 -2.471 12.859 1.00 0.00 H new ATOM 0 HB3 CYS A 127 0.065 -1.839 12.660 1.00 0.00 H new ATOM 0 HG CYS A 127 0.377 -2.620 15.381 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.212 -2.668 10.247 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.530 -2.429 9.669 1.00 0.00 C ATOM 2017 C LEU A 128 -2.931 -3.600 8.777 1.00 0.00 C ATOM 2018 O LEU A 128 -4.023 -4.152 8.911 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.522 -1.135 8.850 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.699 -0.249 9.270 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.491 1.166 8.731 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -4.999 -0.824 8.699 1.00 0.00 C ATOM 0 H LEU A 128 -0.467 -2.082 9.871 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.253 -2.332 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.582 -0.604 9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.590 -1.366 7.787 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.760 -0.219 10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.329 1.796 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.566 1.577 9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.430 1.136 7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.837 -0.194 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.937 -0.854 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -5.149 -1.833 9.082 1.00 0.00 H new ATOM 2034 N VAL A 129 -2.034 -3.978 7.872 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.295 -5.089 6.966 1.00 0.00 C ATOM 2036 C VAL A 129 -2.615 -6.351 7.760 1.00 0.00 C ATOM 2037 O VAL A 129 -3.669 -6.960 7.580 1.00 0.00 O ATOM 2038 CB VAL A 129 -1.074 -5.336 6.079 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.248 -6.652 5.321 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -0.931 -4.186 5.079 1.00 0.00 C ATOM 0 H VAL A 129 -1.125 -3.533 7.747 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.150 -4.836 6.339 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.180 -5.393 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.377 -6.826 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.350 -7.471 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.142 -6.598 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.061 -4.360 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.826 -4.130 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.804 -3.248 5.619 1.00 0.00 H new ATOM 2050 N ILE A 130 -1.697 -6.735 8.640 1.00 0.00 N ATOM 2051 CA ILE A 130 -1.890 -7.924 9.463 1.00 0.00 C ATOM 2052 C ILE A 130 -3.245 -7.872 10.159 1.00 0.00 C ATOM 2053 O ILE A 130 -4.031 -8.816 10.083 1.00 0.00 O ATOM 2054 CB ILE A 130 -0.778 -8.019 10.508 1.00 0.00 C ATOM 2055 CG1 ILE A 130 0.454 -8.679 9.882 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.259 -8.856 11.694 1.00 0.00 C ATOM 2057 CD1 ILE A 130 0.327 -10.201 9.977 1.00 0.00 C ATOM 0 H ILE A 130 -0.817 -6.244 8.802 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.857 -8.803 8.820 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.519 -7.018 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.550 -8.377 8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.357 -8.347 10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.465 -8.923 12.438 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.135 -8.386 12.140 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.520 -9.857 11.351 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.205 -10.668 9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.252 -10.495 11.024 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.567 -10.525 9.444 1.00 0.00 H new ATOM 2069 N GLN A 131 -3.514 -6.759 10.835 1.00 0.00 N ATOM 2070 CA GLN A 131 -4.780 -6.593 11.539 1.00 0.00 C ATOM 2071 C GLN A 131 -5.947 -6.919 10.613 1.00 0.00 C ATOM 2072 O GLN A 131 -6.910 -7.570 11.015 1.00 0.00 O ATOM 2073 CB GLN A 131 -4.910 -5.155 12.047 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.071 -5.064 13.041 1.00 0.00 C ATOM 2075 CD GLN A 131 -5.693 -4.145 14.198 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -4.626 -3.531 14.182 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -6.508 -4.015 15.210 1.00 0.00 N ATOM 0 H GLN A 131 -2.878 -5.965 10.910 1.00 0.00 H new ATOM 0 HA GLN A 131 -4.800 -7.277 12.387 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -3.982 -4.843 12.527 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -5.080 -4.477 11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -6.961 -4.685 12.540 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -6.316 -6.057 13.419 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.392 -4.524 15.222 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -6.261 -3.404 15.989 1.00 0.00 H new ATOM 2086 N LEU A 132 -5.848 -6.463 9.368 1.00 0.00 N ATOM 2087 CA LEU A 132 -6.897 -6.713 8.387 1.00 0.00 C ATOM 2088 C LEU A 132 -7.323 -8.177 8.421 1.00 0.00 C ATOM 2089 O LEU A 132 -8.504 -8.486 8.581 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.398 -6.355 6.986 1.00 0.00 C ATOM 2091 CG LEU A 132 -7.592 -6.053 6.078 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -7.893 -4.553 6.108 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -7.260 -6.477 4.646 1.00 0.00 C ATOM 0 H LEU A 132 -5.058 -5.922 9.017 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.757 -6.091 8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -5.737 -5.490 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -5.815 -7.179 6.575 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.464 -6.604 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -8.744 -4.340 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.128 -4.249 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.022 -4.000 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.109 -6.263 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -6.388 -5.925 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -7.046 -7.546 4.623 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.353 -9.075 8.273 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.641 -10.504 8.293 1.00 0.00 C ATOM 2107 C VAL A 133 -7.091 -10.933 9.685 1.00 0.00 C ATOM 2108 O VAL A 133 -8.078 -11.653 9.836 1.00 0.00 O ATOM 2109 CB VAL A 133 -5.397 -11.296 7.889 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.821 -12.602 7.214 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.561 -10.466 6.911 1.00 0.00 C ATOM 0 H VAL A 133 -5.369 -8.841 8.139 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.442 -10.706 7.582 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.805 -11.521 8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.935 -13.167 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.418 -13.193 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.413 -12.377 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.674 -11.029 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.154 -10.243 6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.259 -9.534 7.390 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.363 -10.480 10.700 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.700 -10.817 12.077 1.00 0.00 C ATOM 2123 C GLN A 134 -8.171 -10.521 12.346 1.00 0.00 C ATOM 2124 O GLN A 134 -8.854 -11.281 13.032 1.00 0.00 O ATOM 2125 CB GLN A 134 -5.828 -10.011 13.041 1.00 0.00 C ATOM 2126 CG GLN A 134 -5.612 -10.811 14.327 1.00 0.00 C ATOM 2127 CD GLN A 134 -5.571 -9.869 15.525 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -4.584 -9.161 15.726 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -6.592 -9.816 16.337 1.00 0.00 N ATOM 0 H GLN A 134 -5.542 -9.883 10.596 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.517 -11.880 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.869 -9.784 12.576 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.305 -9.058 13.269 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -6.415 -11.538 14.452 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.680 -11.373 14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -7.409 -10.403 16.169 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.573 -9.187 17.140 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.654 -9.412 11.794 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.047 -9.023 11.972 1.00 0.00 C ATOM 2140 C GLU A 135 -10.965 -10.001 11.250 1.00 0.00 C ATOM 2141 O GLU A 135 -12.097 -10.238 11.674 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.270 -7.613 11.423 1.00 0.00 C ATOM 2143 CG GLU A 135 -9.944 -6.582 12.507 1.00 0.00 C ATOM 2144 CD GLU A 135 -11.223 -6.148 13.215 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -12.149 -6.941 13.261 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -11.256 -5.030 13.700 1.00 0.00 O ATOM 0 H GLU A 135 -8.104 -8.770 11.223 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.278 -9.037 13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -9.640 -7.448 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -11.304 -7.498 11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -9.246 -7.008 13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -9.453 -5.717 12.062 1.00 0.00 H new