USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= -1.51 K(o=-2.2,f=-13!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -148:sc= -0.702 (180deg=-1.26!) USER MOD Set 2.1: A 56 MET CE :methyl -149:sc= -6.12! (180deg=-8.74!) USER MOD Set 2.2: A 69 TYR OH : rot 30:sc= -0.113 USER MOD Set 3.1: A 43 GLN : amide:sc= -0.0733 K(o=2.3,f=-0.077!) USER MOD Set 3.2: A 44 SER OG : rot -14:sc= 0.919 USER MOD Set 3.3: A 48 THR OG1 : rot 19:sc= 1.49 USER MOD Single : A 15 THR OG1 : rot 68:sc= 1.08 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-9.3!) USER MOD Single : A 20 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.033) USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= -1.77! (180deg=-3.86!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 144:sc= -5.03! USER MOD Single : A 40 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.016) USER MOD Single : A 47 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.69) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.142 (180deg=-0.856) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.23! C(o=-3.2!,f=-7.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -4.63! C(o=-4.6!,f=-8.5!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -1.47! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.05! C(o=-2!,f=-6.8!) USER MOD Single : A 73 TYR OH : rot -100:sc= -5.39! USER MOD Single : A 77 TYR OH : rot 15:sc= -1.43 USER MOD Single : A 78 SER OG : rot 180:sc= -1.01 USER MOD Single : A 79 ASN : amide:sc= -11! C(o=-11!,f=-8.5!) USER MOD Single : A 82 SER OG : rot 180:sc=0.000677 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.68! C(o=-4.7!,f=-3.8!) USER MOD Single : A 85 ASN : amide:sc= -3.87! C(o=-3.9!,f=-6.6!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot -23:sc= 0.167 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 -1.764 -4.526 -2.697 1.00 0.00 N ATOM 174 CA VAL A 13 -2.028 -5.405 -3.859 1.00 0.00 C ATOM 175 C VAL A 13 -0.781 -5.647 -4.691 1.00 0.00 C ATOM 176 O VAL A 13 -0.080 -4.724 -5.055 1.00 0.00 O ATOM 177 CB VAL A 13 -3.080 -4.726 -4.743 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.519 -3.409 -5.284 1.00 0.00 C ATOM 179 CG2 VAL A 13 -3.415 -5.650 -5.910 1.00 0.00 C ATOM 0 HA VAL A 13 -2.372 -6.369 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.978 -4.523 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.267 -2.926 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.266 -2.752 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.624 -3.609 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.163 -5.177 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.514 -5.843 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.808 -6.592 -5.527 1.00 0.00 H new ATOM 189 N ASP A 14 -0.523 -6.897 -4.971 1.00 0.00 N ATOM 190 CA ASP A 14 0.664 -7.228 -5.781 1.00 0.00 C ATOM 191 C ASP A 14 0.245 -7.202 -7.232 1.00 0.00 C ATOM 192 O ASP A 14 -0.801 -7.717 -7.572 1.00 0.00 O ATOM 193 CB ASP A 14 1.141 -8.643 -5.412 1.00 0.00 C ATOM 194 CG ASP A 14 2.637 -8.604 -5.090 1.00 0.00 C ATOM 195 OD1 ASP A 14 3.303 -7.789 -5.709 1.00 0.00 O ATOM 196 OD2 ASP A 14 3.029 -9.389 -4.243 1.00 0.00 O ATOM 0 H ASP A 14 -1.086 -7.693 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 14 1.472 -6.518 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.582 -9.015 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.953 -9.330 -6.237 1.00 0.00 H new ATOM 201 N THR A 15 1.047 -6.610 -8.069 1.00 0.00 N ATOM 202 CA THR A 15 0.667 -6.559 -9.493 1.00 0.00 C ATOM 203 C THR A 15 1.876 -6.626 -10.420 1.00 0.00 C ATOM 204 O THR A 15 2.465 -5.623 -10.771 1.00 0.00 O ATOM 205 CB THR A 15 -0.084 -5.237 -9.710 1.00 0.00 C ATOM 206 OG1 THR A 15 0.896 -4.223 -9.604 1.00 0.00 O ATOM 207 CG2 THR A 15 -1.051 -4.965 -8.531 1.00 0.00 C ATOM 0 H THR A 15 1.934 -6.168 -7.829 1.00 0.00 H new ATOM 0 HA THR A 15 0.047 -7.423 -9.732 1.00 0.00 H new ATOM 0 HB THR A 15 -0.624 -5.268 -10.656 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.515 -4.286 -10.361 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.575 -4.025 -8.700 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.775 -5.777 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.484 -4.902 -7.602 1.00 0.00 H new ATOM 215 N ALA A 16 2.219 -7.824 -10.793 1.00 0.00 N ATOM 216 CA ALA A 16 3.373 -8.020 -11.694 1.00 0.00 C ATOM 217 C ALA A 16 3.246 -9.370 -12.365 1.00 0.00 C ATOM 218 O ALA A 16 3.779 -10.353 -11.893 1.00 0.00 O ATOM 219 CB ALA A 16 4.660 -7.998 -10.859 1.00 0.00 C ATOM 0 H ALA A 16 1.743 -8.680 -10.508 1.00 0.00 H new ATOM 0 HA ALA A 16 3.401 -7.231 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.520 -8.142 -11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.747 -7.038 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.628 -8.799 -10.120 1.00 0.00 H new ATOM 225 N ILE A 17 2.547 -9.389 -13.465 1.00 0.00 N ATOM 226 CA ILE A 17 2.363 -10.646 -14.185 1.00 0.00 C ATOM 227 C ILE A 17 1.622 -10.407 -15.497 1.00 0.00 C ATOM 228 O ILE A 17 2.163 -10.601 -16.569 1.00 0.00 O ATOM 229 CB ILE A 17 1.516 -11.556 -13.300 1.00 0.00 C ATOM 230 CG1 ILE A 17 1.078 -12.744 -14.099 1.00 0.00 C ATOM 231 CG2 ILE A 17 0.260 -10.790 -12.819 1.00 0.00 C ATOM 232 CD1 ILE A 17 2.313 -13.386 -14.709 1.00 0.00 C ATOM 0 H ILE A 17 2.099 -8.575 -13.886 1.00 0.00 H new ATOM 0 HA ILE A 17 3.332 -11.092 -14.411 1.00 0.00 H new ATOM 0 HB ILE A 17 2.104 -11.875 -12.440 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.553 -13.457 -13.463 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.381 -12.441 -14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.344 -11.441 -12.187 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.565 -9.913 -12.249 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.327 -10.476 -13.682 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.018 -14.255 -15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.817 -12.666 -15.354 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.991 -13.698 -13.915 1.00 0.00 H new ATOM 244 N TYR A 18 0.394 -9.990 -15.381 1.00 0.00 N ATOM 245 CA TYR A 18 -0.422 -9.723 -16.596 1.00 0.00 C ATOM 246 C TYR A 18 0.087 -8.482 -17.332 1.00 0.00 C ATOM 247 O TYR A 18 -0.400 -8.145 -18.392 1.00 0.00 O ATOM 248 CB TYR A 18 -1.880 -9.480 -16.168 1.00 0.00 C ATOM 249 CG TYR A 18 -2.313 -10.522 -15.134 1.00 0.00 C ATOM 250 CD1 TYR A 18 -1.963 -11.850 -15.278 1.00 0.00 C ATOM 251 CD2 TYR A 18 -3.085 -10.149 -14.054 1.00 0.00 C ATOM 252 CE1 TYR A 18 -2.380 -12.788 -14.355 1.00 0.00 C ATOM 253 CE2 TYR A 18 -3.505 -11.087 -13.132 1.00 0.00 C ATOM 254 CZ TYR A 18 -3.156 -12.413 -13.275 1.00 0.00 C ATOM 255 OH TYR A 18 -3.585 -13.351 -12.361 1.00 0.00 O ATOM 0 H TYR A 18 -0.081 -9.822 -14.494 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.350 -10.582 -17.263 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.981 -8.479 -15.749 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.534 -9.528 -17.039 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.359 -12.157 -16.119 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.364 -9.113 -13.928 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.097 -13.823 -14.478 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.111 -10.780 -12.293 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.119 -12.911 -11.667 1.00 0.00 H new ATOM 265 N HIS A 19 1.029 -7.812 -16.720 1.00 0.00 N ATOM 266 CA HIS A 19 1.617 -6.575 -17.329 1.00 0.00 C ATOM 267 C HIS A 19 1.847 -6.685 -18.844 1.00 0.00 C ATOM 268 O HIS A 19 2.169 -5.701 -19.476 1.00 0.00 O ATOM 269 CB HIS A 19 2.977 -6.333 -16.665 1.00 0.00 C ATOM 270 CG HIS A 19 3.900 -7.515 -16.970 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.512 -8.652 -17.308 1.00 0.00 N ATOM 272 CD2 HIS A 19 5.280 -7.589 -16.943 1.00 0.00 C ATOM 273 CE1 HIS A 19 4.487 -9.438 -17.498 1.00 0.00 C ATOM 274 NE2 HIS A 19 5.664 -8.849 -17.288 1.00 0.00 N ATOM 0 H HIS A 19 1.422 -8.070 -15.815 1.00 0.00 H new ATOM 0 HA HIS A 19 0.908 -5.763 -17.168 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.417 -5.407 -17.035 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.855 -6.219 -15.588 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.946 -6.778 -16.689 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.377 -10.470 -17.797 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.603 -9.239 -17.365 1.00 0.00 H new ATOM 282 N HIS A 20 1.692 -7.863 -19.397 1.00 0.00 N ATOM 283 CA HIS A 20 1.911 -8.005 -20.868 1.00 0.00 C ATOM 284 C HIS A 20 1.339 -6.807 -21.638 1.00 0.00 C ATOM 285 O HIS A 20 2.081 -5.953 -22.080 1.00 0.00 O ATOM 286 CB HIS A 20 1.182 -9.278 -21.334 1.00 0.00 C ATOM 287 CG HIS A 20 2.037 -10.011 -22.369 1.00 0.00 C ATOM 288 ND1 HIS A 20 1.958 -11.231 -22.621 1.00 0.00 N ATOM 289 CD2 HIS A 20 3.019 -9.525 -23.212 1.00 0.00 C ATOM 290 CE1 HIS A 20 2.776 -11.574 -23.527 1.00 0.00 C ATOM 291 NE2 HIS A 20 3.501 -10.548 -23.972 1.00 0.00 N ATOM 0 H HIS A 20 1.429 -8.716 -18.904 1.00 0.00 H new ATOM 0 HA HIS A 20 2.982 -8.057 -21.062 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.987 -9.929 -20.482 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.215 -9.018 -21.765 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.351 -8.498 -23.260 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.874 -12.584 -23.897 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.225 -10.533 -24.691 1.00 0.00 H new ATOM 299 N LYS A 21 0.030 -6.761 -21.782 1.00 0.00 N ATOM 300 CA LYS A 21 -0.585 -5.614 -22.521 1.00 0.00 C ATOM 301 C LYS A 21 -1.142 -4.579 -21.547 1.00 0.00 C ATOM 302 O LYS A 21 -0.584 -3.516 -21.365 1.00 0.00 O ATOM 303 CB LYS A 21 -1.740 -6.153 -23.385 1.00 0.00 C ATOM 304 CG LYS A 21 -1.165 -7.028 -24.502 1.00 0.00 C ATOM 305 CD LYS A 21 -2.145 -7.048 -25.683 1.00 0.00 C ATOM 306 CE LYS A 21 -1.966 -5.773 -26.517 1.00 0.00 C ATOM 307 NZ LYS A 21 -2.756 -4.654 -25.932 1.00 0.00 N ATOM 0 H LYS A 21 -0.625 -7.457 -21.425 1.00 0.00 H new ATOM 0 HA LYS A 21 0.177 -5.139 -23.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.430 -6.732 -22.771 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.309 -5.326 -23.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.198 -6.640 -24.823 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.997 -8.041 -24.137 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.968 -7.928 -26.302 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.170 -7.116 -25.318 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.911 -5.501 -26.555 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.285 -5.954 -27.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.137 -4.061 -26.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.541 -5.040 -25.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.143 -4.079 -25.320 1.00 0.00 H new ATOM 321 N LEU A 22 -2.244 -4.931 -20.937 1.00 0.00 N ATOM 322 CA LEU A 22 -2.894 -4.020 -19.959 1.00 0.00 C ATOM 323 C LEU A 22 -3.680 -4.841 -18.958 1.00 0.00 C ATOM 324 O LEU A 22 -4.174 -4.333 -17.981 1.00 0.00 O ATOM 325 CB LEU A 22 -3.848 -3.064 -20.716 1.00 0.00 C ATOM 326 CG LEU A 22 -5.110 -3.816 -21.169 1.00 0.00 C ATOM 327 CD1 LEU A 22 -6.097 -2.812 -21.770 1.00 0.00 C ATOM 328 CD2 LEU A 22 -4.734 -4.846 -22.235 1.00 0.00 C ATOM 0 H LEU A 22 -2.723 -5.820 -21.079 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.138 -3.438 -19.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.125 -2.230 -20.071 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.338 -2.641 -21.582 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.563 -4.322 -20.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.996 -3.336 -22.095 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.362 -2.068 -21.019 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.637 -2.317 -22.625 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.628 -5.380 -22.557 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.287 -4.338 -23.090 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.018 -5.555 -21.819 1.00 0.00 H new ATOM 340 N ARG A 23 -3.768 -6.113 -19.225 1.00 0.00 N ATOM 341 CA ARG A 23 -4.510 -6.996 -18.319 1.00 0.00 C ATOM 342 C ARG A 23 -4.111 -6.713 -16.892 1.00 0.00 C ATOM 343 O ARG A 23 -4.776 -7.123 -15.961 1.00 0.00 O ATOM 344 CB ARG A 23 -4.159 -8.447 -18.675 1.00 0.00 C ATOM 345 CG ARG A 23 -4.880 -8.831 -19.976 1.00 0.00 C ATOM 346 CD ARG A 23 -4.019 -9.824 -20.768 1.00 0.00 C ATOM 347 NE ARG A 23 -4.481 -9.840 -22.185 1.00 0.00 N ATOM 348 CZ ARG A 23 -5.664 -10.310 -22.472 1.00 0.00 C ATOM 349 NH1 ARG A 23 -6.700 -9.528 -22.349 1.00 0.00 N ATOM 350 NH2 ARG A 23 -5.770 -11.547 -22.877 1.00 0.00 N ATOM 0 H ARG A 23 -3.353 -6.570 -20.037 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.582 -6.829 -18.422 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.081 -8.555 -18.796 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.458 -9.116 -17.868 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.849 -9.275 -19.749 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.070 -7.940 -20.575 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.969 -9.537 -20.717 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.098 -10.821 -20.334 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.876 -9.486 -22.926 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.578 -8.566 -22.033 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.632 -9.878 -22.569 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.936 -12.128 -22.964 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.686 -11.932 -23.106 1.00 0.00 H new ATOM 364 N ASP A 24 -3.021 -6.011 -16.740 1.00 0.00 N ATOM 365 CA ASP A 24 -2.565 -5.689 -15.386 1.00 0.00 C ATOM 366 C ASP A 24 -3.333 -4.493 -14.848 1.00 0.00 C ATOM 367 O ASP A 24 -3.789 -4.501 -13.722 1.00 0.00 O ATOM 368 CB ASP A 24 -1.072 -5.350 -15.431 1.00 0.00 C ATOM 369 CG ASP A 24 -0.650 -4.757 -14.085 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.997 -5.373 -13.090 1.00 0.00 O ATOM 371 OD2 ASP A 24 -0.004 -3.724 -14.127 1.00 0.00 O ATOM 0 H ASP A 24 -2.439 -5.655 -17.498 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.737 -6.546 -14.734 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.490 -6.246 -15.646 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.872 -4.640 -16.233 1.00 0.00 H new ATOM 376 N GLN A 25 -3.466 -3.475 -15.665 1.00 0.00 N ATOM 377 CA GLN A 25 -4.204 -2.283 -15.204 1.00 0.00 C ATOM 378 C GLN A 25 -5.614 -2.690 -14.895 1.00 0.00 C ATOM 379 O GLN A 25 -6.332 -2.006 -14.193 1.00 0.00 O ATOM 380 CB GLN A 25 -4.172 -1.200 -16.326 1.00 0.00 C ATOM 381 CG GLN A 25 -5.339 -1.389 -17.313 1.00 0.00 C ATOM 382 CD GLN A 25 -5.372 -0.204 -18.278 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.475 -0.368 -19.477 1.00 0.00 O ATOM 384 NE2 GLN A 25 -5.288 1.006 -17.796 1.00 0.00 N ATOM 0 H GLN A 25 -3.098 -3.428 -16.615 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.748 -1.865 -14.307 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.227 -0.207 -15.879 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.225 -1.256 -16.863 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.218 -2.321 -17.865 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.282 -1.460 -16.771 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.201 1.149 -16.790 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.309 1.808 -18.425 1.00 0.00 H new ATOM 393 N VAL A 26 -5.992 -3.813 -15.431 1.00 0.00 N ATOM 394 CA VAL A 26 -7.346 -4.306 -15.189 1.00 0.00 C ATOM 395 C VAL A 26 -7.404 -4.910 -13.804 1.00 0.00 C ATOM 396 O VAL A 26 -8.218 -4.534 -12.990 1.00 0.00 O ATOM 397 CB VAL A 26 -7.664 -5.380 -16.235 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.113 -5.828 -16.071 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.482 -4.785 -17.633 1.00 0.00 C ATOM 0 H VAL A 26 -5.411 -4.403 -16.026 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.070 -3.495 -15.261 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.997 -6.232 -16.103 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.344 -6.592 -16.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.256 -6.238 -15.071 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.776 -4.974 -16.211 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.706 -5.543 -18.383 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.157 -3.939 -17.759 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.452 -4.449 -17.754 1.00 0.00 H new ATOM 409 N LEU A 27 -6.517 -5.828 -13.552 1.00 0.00 N ATOM 410 CA LEU A 27 -6.500 -6.470 -12.222 1.00 0.00 C ATOM 411 C LEU A 27 -6.253 -5.406 -11.159 1.00 0.00 C ATOM 412 O LEU A 27 -6.538 -5.595 -9.990 1.00 0.00 O ATOM 413 CB LEU A 27 -5.354 -7.538 -12.219 1.00 0.00 C ATOM 414 CG LEU A 27 -4.194 -7.123 -11.280 1.00 0.00 C ATOM 415 CD1 LEU A 27 -4.543 -7.523 -9.847 1.00 0.00 C ATOM 416 CD2 LEU A 27 -2.920 -7.858 -11.699 1.00 0.00 C ATOM 0 H LEU A 27 -5.809 -6.157 -14.208 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.451 -6.956 -12.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.754 -8.501 -11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.974 -7.669 -13.232 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.040 -6.046 -11.341 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.731 -7.234 -9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.460 -7.019 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.688 -8.602 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.100 -7.569 -11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.081 -8.934 -11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.670 -7.595 -12.727 1.00 0.00 H new ATOM 428 N LYS A 28 -5.744 -4.291 -11.605 1.00 0.00 N ATOM 429 CA LYS A 28 -5.459 -3.183 -10.664 1.00 0.00 C ATOM 430 C LYS A 28 -6.687 -2.338 -10.488 1.00 0.00 C ATOM 431 O LYS A 28 -7.079 -2.027 -9.381 1.00 0.00 O ATOM 432 CB LYS A 28 -4.339 -2.317 -11.262 1.00 0.00 C ATOM 433 CG LYS A 28 -3.460 -1.775 -10.135 1.00 0.00 C ATOM 434 CD LYS A 28 -2.293 -0.992 -10.745 1.00 0.00 C ATOM 435 CE LYS A 28 -1.237 -0.732 -9.667 1.00 0.00 C ATOM 436 NZ LYS A 28 -1.477 0.581 -9.009 1.00 0.00 N ATOM 0 H LYS A 28 -5.515 -4.104 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.159 -3.586 -9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.739 -2.907 -11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.767 -1.493 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.044 -1.130 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.084 -2.595 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.856 -1.554 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.650 -0.047 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.264 -1.529 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.242 -0.746 -10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.752 0.742 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.429 1.339 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.418 0.581 -8.567 1.00 0.00 H new ATOM 450 N ALA A 29 -7.282 -1.976 -11.582 1.00 0.00 N ATOM 451 CA ALA A 29 -8.491 -1.150 -11.488 1.00 0.00 C ATOM 452 C ALA A 29 -9.579 -1.930 -10.791 1.00 0.00 C ATOM 453 O ALA A 29 -10.464 -1.373 -10.206 1.00 0.00 O ATOM 454 CB ALA A 29 -8.965 -0.795 -12.903 1.00 0.00 C ATOM 0 H ALA A 29 -6.982 -2.217 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.271 -0.242 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.864 -0.181 -12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.182 -0.242 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.187 -1.710 -13.453 1.00 0.00 H new ATOM 460 N LEU A 30 -9.483 -3.224 -10.856 1.00 0.00 N ATOM 461 CA LEU A 30 -10.507 -4.047 -10.200 1.00 0.00 C ATOM 462 C LEU A 30 -10.248 -4.126 -8.710 1.00 0.00 C ATOM 463 O LEU A 30 -11.164 -4.083 -7.913 1.00 0.00 O ATOM 464 CB LEU A 30 -10.434 -5.464 -10.789 1.00 0.00 C ATOM 465 CG LEU A 30 -10.914 -5.433 -12.238 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.406 -6.678 -12.963 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.439 -5.423 -12.258 1.00 0.00 C ATOM 0 H LEU A 30 -8.742 -3.737 -11.333 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.489 -3.603 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.411 -5.838 -10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.051 -6.146 -10.204 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.534 -4.540 -12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.746 -6.660 -13.998 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.316 -6.694 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.792 -7.570 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.789 -5.401 -13.290 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.815 -6.320 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.804 -4.541 -11.732 1.00 0.00 H new ATOM 479 N TYR A 31 -8.997 -4.215 -8.354 1.00 0.00 N ATOM 480 CA TYR A 31 -8.662 -4.299 -6.918 1.00 0.00 C ATOM 481 C TYR A 31 -8.773 -2.954 -6.200 1.00 0.00 C ATOM 482 O TYR A 31 -9.347 -2.871 -5.133 1.00 0.00 O ATOM 483 CB TYR A 31 -7.219 -4.804 -6.783 1.00 0.00 C ATOM 484 CG TYR A 31 -6.740 -4.563 -5.347 1.00 0.00 C ATOM 485 CD1 TYR A 31 -6.330 -3.307 -4.945 1.00 0.00 C ATOM 486 CD2 TYR A 31 -6.727 -5.595 -4.430 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.913 -3.087 -3.646 1.00 0.00 C ATOM 488 CE2 TYR A 31 -6.310 -5.375 -3.133 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.900 -4.120 -2.730 1.00 0.00 C ATOM 490 OH TYR A 31 -5.485 -3.902 -1.432 1.00 0.00 O ATOM 0 H TYR A 31 -8.203 -4.233 -8.994 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.378 -4.978 -6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.167 -5.866 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.571 -4.285 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.335 -2.490 -5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.046 -6.582 -4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.595 -2.100 -3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.304 -6.192 -2.427 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.542 -4.739 -0.925 1.00 0.00 H new ATOM 500 N ASP A 32 -8.228 -1.928 -6.784 1.00 0.00 N ATOM 501 CA ASP A 32 -8.305 -0.595 -6.118 1.00 0.00 C ATOM 502 C ASP A 32 -9.686 0.057 -6.225 1.00 0.00 C ATOM 503 O ASP A 32 -10.058 0.836 -5.370 1.00 0.00 O ATOM 504 CB ASP A 32 -7.265 0.333 -6.762 1.00 0.00 C ATOM 505 CG ASP A 32 -7.234 1.660 -5.998 1.00 0.00 C ATOM 506 OD1 ASP A 32 -6.740 1.630 -4.882 1.00 0.00 O ATOM 507 OD2 ASP A 32 -7.707 2.626 -6.572 1.00 0.00 O ATOM 0 H ASP A 32 -7.739 -1.948 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.109 -0.750 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.281 -0.135 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.514 0.508 -7.809 1.00 0.00 H new ATOM 512 N VAL A 33 -10.431 -0.255 -7.251 1.00 0.00 N ATOM 513 CA VAL A 33 -11.774 0.376 -7.358 1.00 0.00 C ATOM 514 C VAL A 33 -12.805 -0.393 -6.547 1.00 0.00 C ATOM 515 O VAL A 33 -13.792 0.168 -6.111 1.00 0.00 O ATOM 516 CB VAL A 33 -12.211 0.396 -8.828 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.507 1.196 -8.951 1.00 0.00 C ATOM 518 CG2 VAL A 33 -11.125 1.076 -9.666 1.00 0.00 C ATOM 0 H VAL A 33 -10.177 -0.900 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.707 1.391 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.367 -0.623 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.825 1.215 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.282 0.729 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.340 2.216 -8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.430 1.093 -10.712 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.980 2.097 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.191 0.522 -9.570 1.00 0.00 H new ATOM 528 N LEU A 34 -12.570 -1.665 -6.348 1.00 0.00 N ATOM 529 CA LEU A 34 -13.543 -2.453 -5.566 1.00 0.00 C ATOM 530 C LEU A 34 -13.309 -2.247 -4.077 1.00 0.00 C ATOM 531 O LEU A 34 -14.235 -2.270 -3.291 1.00 0.00 O ATOM 532 CB LEU A 34 -13.357 -3.937 -5.908 1.00 0.00 C ATOM 533 CG LEU A 34 -13.889 -4.190 -7.320 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.350 -5.529 -7.842 1.00 0.00 C ATOM 535 CD2 LEU A 34 -15.417 -4.249 -7.278 1.00 0.00 C ATOM 0 H LEU A 34 -11.757 -2.177 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.555 -2.130 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.303 -4.209 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.888 -4.559 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.565 -3.385 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.730 -5.707 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.261 -5.498 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.676 -6.334 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.802 -4.429 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.732 -5.057 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.808 -3.303 -6.904 1.00 0.00 H new ATOM 547 N ALA A 35 -12.071 -2.046 -3.716 1.00 0.00 N ATOM 548 CA ALA A 35 -11.759 -1.835 -2.285 1.00 0.00 C ATOM 549 C ALA A 35 -12.145 -0.428 -1.855 1.00 0.00 C ATOM 550 O ALA A 35 -12.912 -0.246 -0.933 1.00 0.00 O ATOM 551 CB ALA A 35 -10.247 -2.019 -2.086 1.00 0.00 C ATOM 0 H ALA A 35 -11.271 -2.020 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.321 -2.551 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.997 -1.867 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.961 -3.027 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.709 -1.293 -2.696 1.00 0.00 H new ATOM 557 N LYS A 36 -11.607 0.542 -2.535 1.00 0.00 N ATOM 558 CA LYS A 36 -11.930 1.949 -2.183 1.00 0.00 C ATOM 559 C LYS A 36 -13.435 2.151 -2.046 1.00 0.00 C ATOM 560 O LYS A 36 -13.892 2.861 -1.174 1.00 0.00 O ATOM 561 CB LYS A 36 -11.420 2.856 -3.310 1.00 0.00 C ATOM 562 CG LYS A 36 -11.344 4.293 -2.800 1.00 0.00 C ATOM 563 CD LYS A 36 -9.881 4.650 -2.536 1.00 0.00 C ATOM 564 CE LYS A 36 -9.821 5.881 -1.630 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.335 5.506 -0.273 1.00 0.00 N ATOM 0 H LYS A 36 -10.961 0.423 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.458 2.190 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.437 2.523 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.086 2.797 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.772 4.976 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.929 4.400 -1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.369 3.811 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.367 4.850 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.159 6.629 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.810 6.334 -1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.300 6.353 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.982 4.809 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.383 5.094 -0.347 1.00 0.00 H new ATOM 579 N GLU A 37 -14.175 1.522 -2.912 1.00 0.00 N ATOM 580 CA GLU A 37 -15.652 1.662 -2.853 1.00 0.00 C ATOM 581 C GLU A 37 -16.165 1.586 -1.420 1.00 0.00 C ATOM 582 O GLU A 37 -16.627 2.566 -0.870 1.00 0.00 O ATOM 583 CB GLU A 37 -16.276 0.507 -3.653 1.00 0.00 C ATOM 584 CG GLU A 37 -16.619 0.996 -5.061 1.00 0.00 C ATOM 585 CD GLU A 37 -17.777 1.993 -4.983 1.00 0.00 C ATOM 586 OE1 GLU A 37 -18.884 1.522 -4.783 1.00 0.00 O ATOM 587 OE2 GLU A 37 -17.489 3.170 -5.132 1.00 0.00 O ATOM 0 H GLU A 37 -13.822 0.919 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.926 2.633 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.581 -0.331 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.174 0.146 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.748 1.468 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.893 0.152 -5.695 1.00 0.00 H new ATOM 594 N SER A 38 -16.073 0.419 -0.845 1.00 0.00 N ATOM 595 CA SER A 38 -16.548 0.244 0.553 1.00 0.00 C ATOM 596 C SER A 38 -15.628 -0.697 1.323 1.00 0.00 C ATOM 597 O SER A 38 -15.344 -1.792 0.879 1.00 0.00 O ATOM 598 CB SER A 38 -17.954 -0.365 0.492 1.00 0.00 C ATOM 599 OG SER A 38 -18.538 -0.028 1.741 1.00 0.00 O ATOM 0 H SER A 38 -15.690 -0.419 -1.283 1.00 0.00 H new ATOM 0 HA SER A 38 -16.554 1.207 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 38 -18.529 0.044 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 38 -17.914 -1.445 0.350 1.00 0.00 H new ATOM 0 HG SER A 38 -19.491 0.161 1.616 1.00 0.00 H new ATOM 605 N GLU A 39 -15.179 -0.250 2.469 1.00 0.00 N ATOM 606 CA GLU A 39 -14.274 -1.103 3.284 1.00 0.00 C ATOM 607 C GLU A 39 -15.024 -1.891 4.352 1.00 0.00 C ATOM 608 O GLU A 39 -14.458 -2.766 4.976 1.00 0.00 O ATOM 609 CB GLU A 39 -13.263 -0.191 3.989 1.00 0.00 C ATOM 610 CG GLU A 39 -12.614 0.728 2.958 1.00 0.00 C ATOM 611 CD GLU A 39 -11.569 1.599 3.656 1.00 0.00 C ATOM 612 OE1 GLU A 39 -10.577 1.024 4.075 1.00 0.00 O ATOM 613 OE2 GLU A 39 -11.821 2.790 3.732 1.00 0.00 O ATOM 0 H GLU A 39 -15.400 0.662 2.869 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.792 -1.815 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.762 0.399 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.503 -0.790 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.147 0.138 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.369 1.354 2.483 1.00 0.00 H new ATOM 620 N HIS A 40 -16.282 -1.583 4.549 1.00 0.00 N ATOM 621 CA HIS A 40 -17.048 -2.333 5.591 1.00 0.00 C ATOM 622 C HIS A 40 -17.769 -3.563 5.012 1.00 0.00 C ATOM 623 O HIS A 40 -17.816 -4.604 5.640 1.00 0.00 O ATOM 624 CB HIS A 40 -18.088 -1.389 6.226 1.00 0.00 C ATOM 625 CG HIS A 40 -17.862 -1.326 7.743 1.00 0.00 C ATOM 626 ND1 HIS A 40 -18.762 -1.414 8.604 1.00 0.00 N ATOM 627 CD2 HIS A 40 -16.688 -1.164 8.454 1.00 0.00 C ATOM 628 CE1 HIS A 40 -18.293 -1.325 9.779 1.00 0.00 C ATOM 629 NE2 HIS A 40 -16.969 -1.163 9.787 1.00 0.00 N ATOM 0 H HIS A 40 -16.801 -0.863 4.047 1.00 0.00 H new ATOM 0 HA HIS A 40 -16.337 -2.688 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -18.003 -0.392 5.793 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -19.096 -1.744 6.012 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.704 -1.055 8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.898 -1.375 10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.335 -1.065 10.580 1.00 0.00 H new ATOM 637 N PRO A 41 -18.348 -3.406 3.832 1.00 0.00 N ATOM 638 CA PRO A 41 -19.068 -4.498 3.167 1.00 0.00 C ATOM 639 C PRO A 41 -18.296 -5.165 1.961 1.00 0.00 C ATOM 640 O PRO A 41 -18.924 -5.688 1.062 1.00 0.00 O ATOM 641 CB PRO A 41 -20.289 -3.754 2.578 1.00 0.00 C ATOM 642 CG PRO A 41 -19.854 -2.250 2.440 1.00 0.00 C ATOM 643 CD PRO A 41 -18.501 -2.117 3.178 1.00 0.00 C ATOM 0 HA PRO A 41 -19.260 -5.311 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -20.570 -4.169 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -21.157 -3.851 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -19.754 -1.969 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -20.601 -1.588 2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -17.683 -1.918 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -18.515 -1.299 3.899 1.00 0.00 H new ATOM 651 N PRO A 42 -16.958 -5.160 1.958 1.00 0.00 N ATOM 652 CA PRO A 42 -16.223 -5.770 0.850 1.00 0.00 C ATOM 653 C PRO A 42 -16.529 -7.253 0.714 1.00 0.00 C ATOM 654 O PRO A 42 -16.645 -7.962 1.695 1.00 0.00 O ATOM 655 CB PRO A 42 -14.737 -5.588 1.198 1.00 0.00 C ATOM 656 CG PRO A 42 -14.671 -4.877 2.578 1.00 0.00 C ATOM 657 CD PRO A 42 -16.121 -4.602 3.023 1.00 0.00 C ATOM 0 HA PRO A 42 -16.501 -5.305 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.230 -6.552 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.233 -4.994 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.157 -5.502 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.109 -3.946 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.336 -5.074 3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -16.300 -3.534 3.147 1.00 0.00 H new ATOM 665 N GLN A 43 -16.655 -7.693 -0.503 1.00 0.00 N ATOM 666 CA GLN A 43 -16.951 -9.120 -0.736 1.00 0.00 C ATOM 667 C GLN A 43 -15.665 -9.936 -0.740 1.00 0.00 C ATOM 668 O GLN A 43 -15.472 -10.813 0.079 1.00 0.00 O ATOM 669 CB GLN A 43 -17.605 -9.236 -2.112 1.00 0.00 C ATOM 670 CG GLN A 43 -17.205 -8.015 -2.947 1.00 0.00 C ATOM 671 CD GLN A 43 -17.421 -8.318 -4.433 1.00 0.00 C ATOM 672 OE1 GLN A 43 -17.483 -9.461 -4.843 1.00 0.00 O ATOM 673 NE2 GLN A 43 -17.538 -7.326 -5.271 1.00 0.00 N ATOM 0 H GLN A 43 -16.565 -7.122 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 43 -17.603 -9.496 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.286 -10.154 -2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -18.689 -9.288 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -17.798 -7.149 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -16.160 -7.763 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.487 -6.365 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.681 -7.511 -6.264 1.00 0.00 H new ATOM 682 N SER A 44 -14.809 -9.620 -1.668 1.00 0.00 N ATOM 683 CA SER A 44 -13.521 -10.343 -1.775 1.00 0.00 C ATOM 684 C SER A 44 -12.660 -9.687 -2.833 1.00 0.00 C ATOM 685 O SER A 44 -12.208 -10.334 -3.742 1.00 0.00 O ATOM 686 CB SER A 44 -13.806 -11.794 -2.198 1.00 0.00 C ATOM 687 OG SER A 44 -14.360 -11.675 -3.501 1.00 0.00 O ATOM 0 H SER A 44 -14.951 -8.885 -2.361 1.00 0.00 H new ATOM 0 HA SER A 44 -13.004 -10.320 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.895 -12.393 -2.206 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.501 -12.279 -1.513 1.00 0.00 H new ATOM 0 HG SER A 44 -14.617 -10.743 -3.664 1.00 0.00 H new ATOM 693 N ILE A 45 -12.455 -8.396 -2.680 1.00 0.00 N ATOM 694 CA ILE A 45 -11.621 -7.640 -3.664 1.00 0.00 C ATOM 695 C ILE A 45 -10.482 -8.495 -4.210 1.00 0.00 C ATOM 696 O ILE A 45 -10.251 -8.535 -5.400 1.00 0.00 O ATOM 697 CB ILE A 45 -11.014 -6.432 -2.946 1.00 0.00 C ATOM 698 CG1 ILE A 45 -12.038 -5.313 -2.837 1.00 0.00 C ATOM 699 CG2 ILE A 45 -9.833 -5.915 -3.778 1.00 0.00 C ATOM 700 CD1 ILE A 45 -13.335 -5.860 -2.248 1.00 0.00 C ATOM 0 H ILE A 45 -12.831 -7.837 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.256 -7.340 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.695 -6.733 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.650 -4.512 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.227 -4.882 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.388 -5.053 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.086 -6.702 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.185 -5.622 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.067 -5.056 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.725 -6.646 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.140 -6.270 -1.257 1.00 0.00 H new ATOM 712 N LEU A 46 -9.790 -9.156 -3.335 1.00 0.00 N ATOM 713 CA LEU A 46 -8.664 -10.009 -3.793 1.00 0.00 C ATOM 714 C LEU A 46 -9.178 -11.140 -4.680 1.00 0.00 C ATOM 715 O LEU A 46 -8.713 -11.333 -5.790 1.00 0.00 O ATOM 716 CB LEU A 46 -7.990 -10.617 -2.549 1.00 0.00 C ATOM 717 CG LEU A 46 -6.505 -10.858 -2.835 1.00 0.00 C ATOM 718 CD1 LEU A 46 -6.366 -11.673 -4.123 1.00 0.00 C ATOM 719 CD2 LEU A 46 -5.794 -9.509 -3.004 1.00 0.00 C ATOM 0 H LEU A 46 -9.952 -9.145 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.959 -9.407 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.102 -9.946 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.476 -11.555 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.055 -11.404 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.310 -11.847 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.875 -12.629 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.813 -11.123 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.737 -9.678 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.241 -8.964 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.899 -8.926 -2.089 1.00 0.00 H new ATOM 731 N HIS A 47 -10.133 -11.857 -4.169 1.00 0.00 N ATOM 732 CA HIS A 47 -10.714 -12.987 -4.938 1.00 0.00 C ATOM 733 C HIS A 47 -11.665 -12.496 -6.023 1.00 0.00 C ATOM 734 O HIS A 47 -12.120 -13.267 -6.845 1.00 0.00 O ATOM 735 CB HIS A 47 -11.503 -13.870 -3.953 1.00 0.00 C ATOM 736 CG HIS A 47 -11.275 -15.347 -4.289 1.00 0.00 C ATOM 737 ND1 HIS A 47 -10.219 -15.817 -4.757 1.00 0.00 N ATOM 738 CD2 HIS A 47 -12.131 -16.425 -4.156 1.00 0.00 C ATOM 739 CE1 HIS A 47 -10.305 -17.070 -4.935 1.00 0.00 C ATOM 740 NE2 HIS A 47 -11.495 -17.553 -4.579 1.00 0.00 N ATOM 0 H HIS A 47 -10.539 -11.708 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.907 -13.539 -5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.184 -13.666 -2.931 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.566 -13.634 -4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.142 -16.380 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.504 -17.677 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -11.839 -18.513 -4.614 1.00 0.00 H new ATOM 748 N THR A 48 -11.952 -11.227 -6.005 1.00 0.00 N ATOM 749 CA THR A 48 -12.872 -10.675 -7.025 1.00 0.00 C ATOM 750 C THR A 48 -12.106 -10.129 -8.219 1.00 0.00 C ATOM 751 O THR A 48 -12.458 -10.387 -9.353 1.00 0.00 O ATOM 752 CB THR A 48 -13.666 -9.534 -6.382 1.00 0.00 C ATOM 753 OG1 THR A 48 -14.513 -10.155 -5.433 1.00 0.00 O ATOM 754 CG2 THR A 48 -14.624 -8.892 -7.395 1.00 0.00 C ATOM 0 H THR A 48 -11.590 -10.553 -5.330 1.00 0.00 H new ATOM 0 HA THR A 48 -13.531 -11.469 -7.376 1.00 0.00 H new ATOM 0 HB THR A 48 -12.979 -8.788 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.174 -11.052 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.176 -8.085 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.053 -8.492 -8.233 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.325 -9.643 -7.760 1.00 0.00 H new ATOM 762 N ALA A 49 -11.077 -9.382 -7.951 1.00 0.00 N ATOM 763 CA ALA A 49 -10.289 -8.821 -9.067 1.00 0.00 C ATOM 764 C ALA A 49 -9.386 -9.882 -9.677 1.00 0.00 C ATOM 765 O ALA A 49 -8.939 -9.743 -10.798 1.00 0.00 O ATOM 766 CB ALA A 49 -9.415 -7.673 -8.529 1.00 0.00 C ATOM 0 H ALA A 49 -10.752 -9.139 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.973 -8.459 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.828 -7.250 -9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.053 -6.899 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.745 -8.056 -7.760 1.00 0.00 H new ATOM 772 N LYS A 50 -9.127 -10.931 -8.934 1.00 0.00 N ATOM 773 CA LYS A 50 -8.252 -11.996 -9.484 1.00 0.00 C ATOM 774 C LYS A 50 -9.044 -12.994 -10.318 1.00 0.00 C ATOM 775 O LYS A 50 -8.492 -13.662 -11.172 1.00 0.00 O ATOM 776 CB LYS A 50 -7.605 -12.745 -8.317 1.00 0.00 C ATOM 777 CG LYS A 50 -6.430 -11.917 -7.793 1.00 0.00 C ATOM 778 CD LYS A 50 -5.509 -12.805 -6.955 1.00 0.00 C ATOM 779 CE LYS A 50 -4.256 -12.006 -6.578 1.00 0.00 C ATOM 780 NZ LYS A 50 -3.531 -11.568 -7.802 1.00 0.00 N ATOM 0 H LYS A 50 -9.479 -11.089 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.502 -11.530 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.334 -12.910 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.260 -13.726 -8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.876 -11.486 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.798 -11.086 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.026 -13.142 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.232 -13.697 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.537 -11.137 -5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.600 -12.617 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.530 -11.403 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.602 -12.307 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.954 -10.688 -8.160 1.00 0.00 H new ATOM 794 N ALA A 51 -10.325 -13.078 -10.067 1.00 0.00 N ATOM 795 CA ALA A 51 -11.155 -14.031 -10.844 1.00 0.00 C ATOM 796 C ALA A 51 -11.811 -13.344 -12.040 1.00 0.00 C ATOM 797 O ALA A 51 -12.049 -13.960 -13.061 1.00 0.00 O ATOM 798 CB ALA A 51 -12.257 -14.572 -9.921 1.00 0.00 C ATOM 0 H ALA A 51 -10.823 -12.532 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.518 -14.834 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.880 -15.276 -10.472 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.802 -15.079 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.871 -13.745 -9.565 1.00 0.00 H new ATOM 804 N ILE A 52 -12.087 -12.081 -11.891 1.00 0.00 N ATOM 805 CA ILE A 52 -12.729 -11.323 -13.002 1.00 0.00 C ATOM 806 C ILE A 52 -11.725 -10.970 -14.077 1.00 0.00 C ATOM 807 O ILE A 52 -12.010 -11.038 -15.251 1.00 0.00 O ATOM 808 CB ILE A 52 -13.268 -10.027 -12.427 1.00 0.00 C ATOM 809 CG1 ILE A 52 -14.550 -10.295 -11.673 1.00 0.00 C ATOM 810 CG2 ILE A 52 -13.575 -9.061 -13.578 1.00 0.00 C ATOM 811 CD1 ILE A 52 -14.852 -9.096 -10.783 1.00 0.00 C ATOM 0 H ILE A 52 -11.896 -11.539 -11.048 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.514 -11.938 -13.442 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.527 -9.597 -11.753 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.370 -10.464 -12.370 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.452 -11.198 -11.070 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.963 -8.126 -13.174 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.662 -8.863 -14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.318 -9.507 -14.239 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.775 -9.275 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.032 -8.949 -10.080 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.965 -8.204 -11.400 1.00 0.00 H new ATOM 823 N GLU A 53 -10.584 -10.561 -13.647 1.00 0.00 N ATOM 824 CA GLU A 53 -9.522 -10.187 -14.612 1.00 0.00 C ATOM 825 C GLU A 53 -9.463 -11.152 -15.812 1.00 0.00 C ATOM 826 O GLU A 53 -9.208 -10.740 -16.922 1.00 0.00 O ATOM 827 CB GLU A 53 -8.176 -10.229 -13.862 1.00 0.00 C ATOM 828 CG GLU A 53 -7.036 -10.523 -14.847 1.00 0.00 C ATOM 829 CD GLU A 53 -7.098 -9.533 -16.011 1.00 0.00 C ATOM 830 OE1 GLU A 53 -7.554 -8.431 -15.760 1.00 0.00 O ATOM 831 OE2 GLU A 53 -6.688 -9.938 -17.087 1.00 0.00 O ATOM 0 H GLU A 53 -10.331 -10.466 -12.663 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.736 -9.193 -15.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.999 -9.277 -13.362 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.205 -10.995 -13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.074 -10.445 -14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.118 -11.544 -15.220 1.00 0.00 H new ATOM 838 N SER A 54 -9.705 -12.415 -15.568 1.00 0.00 N ATOM 839 CA SER A 54 -9.659 -13.405 -16.695 1.00 0.00 C ATOM 840 C SER A 54 -11.040 -13.682 -17.301 1.00 0.00 C ATOM 841 O SER A 54 -11.145 -14.351 -18.309 1.00 0.00 O ATOM 842 CB SER A 54 -9.104 -14.728 -16.145 1.00 0.00 C ATOM 843 OG SER A 54 -8.018 -14.333 -15.321 1.00 0.00 O ATOM 0 H SER A 54 -9.930 -12.803 -14.652 1.00 0.00 H new ATOM 0 HA SER A 54 -9.031 -12.984 -17.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.859 -15.271 -15.576 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.775 -15.387 -16.949 1.00 0.00 H new ATOM 0 HG SER A 54 -7.603 -15.127 -14.924 1.00 0.00 H new ATOM 849 N GLU A 55 -12.069 -13.189 -16.681 1.00 0.00 N ATOM 850 CA GLU A 55 -13.427 -13.438 -17.236 1.00 0.00 C ATOM 851 C GLU A 55 -13.828 -12.439 -18.318 1.00 0.00 C ATOM 852 O GLU A 55 -13.896 -12.785 -19.475 1.00 0.00 O ATOM 853 CB GLU A 55 -14.437 -13.349 -16.086 1.00 0.00 C ATOM 854 CG GLU A 55 -15.688 -14.151 -16.450 1.00 0.00 C ATOM 855 CD GLU A 55 -15.501 -15.609 -16.023 1.00 0.00 C ATOM 856 OE1 GLU A 55 -14.588 -16.218 -16.557 1.00 0.00 O ATOM 857 OE2 GLU A 55 -16.282 -16.032 -15.187 1.00 0.00 O ATOM 0 H GLU A 55 -12.034 -12.632 -15.827 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.417 -14.424 -17.700 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.996 -13.738 -15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.700 -12.308 -15.897 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.562 -13.726 -15.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.869 -14.096 -17.523 1.00 0.00 H new ATOM 864 N MET A 56 -14.083 -11.224 -17.937 1.00 0.00 N ATOM 865 CA MET A 56 -14.480 -10.221 -18.961 1.00 0.00 C ATOM 866 C MET A 56 -13.398 -10.053 -20.018 1.00 0.00 C ATOM 867 O MET A 56 -13.611 -9.402 -21.022 1.00 0.00 O ATOM 868 CB MET A 56 -14.713 -8.872 -18.269 1.00 0.00 C ATOM 869 CG MET A 56 -13.639 -8.657 -17.209 1.00 0.00 C ATOM 870 SD MET A 56 -13.587 -7.044 -16.394 1.00 0.00 S ATOM 871 CE MET A 56 -11.985 -6.517 -17.045 1.00 0.00 C ATOM 0 H MET A 56 -14.036 -10.883 -16.977 1.00 0.00 H new ATOM 0 HA MET A 56 -15.390 -10.568 -19.451 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.684 -8.065 -19.001 1.00 0.00 H new ATOM 0 HB3 MET A 56 -15.702 -8.851 -17.811 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.767 -9.419 -16.440 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.668 -8.832 -17.673 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.493 -5.870 -16.319 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.363 -7.392 -17.232 1.00 0.00 H new ATOM 0 HE3 MET A 56 -12.133 -5.971 -17.977 1.00 0.00 H new ATOM 881 N ASN A 57 -12.256 -10.643 -19.777 1.00 0.00 N ATOM 882 CA ASN A 57 -11.145 -10.520 -20.769 1.00 0.00 C ATOM 883 C ASN A 57 -11.099 -11.716 -21.727 1.00 0.00 C ATOM 884 O ASN A 57 -10.345 -11.707 -22.680 1.00 0.00 O ATOM 885 CB ASN A 57 -9.812 -10.423 -20.002 1.00 0.00 C ATOM 886 CG ASN A 57 -9.150 -11.800 -19.913 1.00 0.00 C ATOM 887 OD1 ASN A 57 -9.804 -12.806 -19.748 1.00 0.00 O ATOM 888 ND2 ASN A 57 -7.853 -11.886 -20.018 1.00 0.00 N ATOM 0 H ASN A 57 -12.045 -11.198 -18.948 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.315 -9.626 -21.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.145 -9.723 -20.505 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.988 -10.031 -19.000 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.396 -12.796 -19.961 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.296 -11.043 -20.157 1.00 0.00 H new ATOM 895 N LYS A 58 -11.895 -12.728 -21.445 1.00 0.00 N ATOM 896 CA LYS A 58 -11.910 -13.936 -22.332 1.00 0.00 C ATOM 897 C LYS A 58 -11.691 -13.565 -23.808 1.00 0.00 C ATOM 898 O LYS A 58 -10.702 -13.952 -24.399 1.00 0.00 O ATOM 899 CB LYS A 58 -13.277 -14.642 -22.184 1.00 0.00 C ATOM 900 CG LYS A 58 -14.412 -13.613 -22.272 1.00 0.00 C ATOM 901 CD LYS A 58 -15.640 -14.160 -21.531 1.00 0.00 C ATOM 902 CE LYS A 58 -16.814 -13.194 -21.715 1.00 0.00 C ATOM 903 NZ LYS A 58 -17.879 -13.471 -20.709 1.00 0.00 N ATOM 0 H LYS A 58 -12.528 -12.767 -20.646 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.095 -14.593 -22.029 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.394 -15.393 -22.966 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.323 -15.166 -21.229 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.097 -12.667 -21.832 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.659 -13.413 -23.315 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.902 -15.146 -21.915 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.416 -14.280 -20.471 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.467 -12.166 -21.612 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.221 -13.294 -22.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.668 -12.808 -20.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.222 -14.446 -20.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.491 -13.353 -19.751 1.00 0.00 H new ATOM 917 N VAL A 59 -12.613 -12.825 -24.373 1.00 0.00 N ATOM 918 CA VAL A 59 -12.462 -12.428 -25.797 1.00 0.00 C ATOM 919 C VAL A 59 -12.986 -11.016 -26.014 1.00 0.00 C ATOM 920 O VAL A 59 -14.138 -10.733 -25.756 1.00 0.00 O ATOM 921 CB VAL A 59 -13.273 -13.393 -26.674 1.00 0.00 C ATOM 922 CG1 VAL A 59 -12.327 -14.420 -27.299 1.00 0.00 C ATOM 923 CG2 VAL A 59 -14.317 -14.118 -25.822 1.00 0.00 C ATOM 0 H VAL A 59 -13.455 -12.484 -23.910 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.405 -12.463 -26.062 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.779 -12.830 -27.458 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.898 -15.108 -27.923 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.585 -13.906 -27.910 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.824 -14.978 -26.510 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.889 -14.801 -26.450 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.816 -14.682 -25.035 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.991 -13.388 -25.373 1.00 0.00 H new ATOM 933 N ASN A 60 -12.131 -10.150 -26.485 1.00 0.00 N ATOM 934 CA ASN A 60 -12.573 -8.756 -26.721 1.00 0.00 C ATOM 935 C ASN A 60 -11.796 -8.115 -27.867 1.00 0.00 C ATOM 936 O ASN A 60 -11.276 -8.795 -28.731 1.00 0.00 O ATOM 937 CB ASN A 60 -12.321 -7.950 -25.437 1.00 0.00 C ATOM 938 CG ASN A 60 -13.048 -8.620 -24.266 1.00 0.00 C ATOM 939 OD1 ASN A 60 -14.214 -8.377 -24.025 1.00 0.00 O ATOM 940 ND2 ASN A 60 -12.396 -9.466 -23.516 1.00 0.00 N ATOM 0 H ASN A 60 -11.157 -10.348 -26.713 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.630 -8.760 -26.986 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.252 -7.895 -25.232 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.674 -6.926 -25.561 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.865 -9.920 -22.732 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.417 -9.674 -23.714 1.00 0.00 H new ATOM 947 N ASN A 61 -11.733 -6.811 -27.851 1.00 0.00 N ATOM 948 CA ASN A 61 -10.999 -6.097 -28.925 1.00 0.00 C ATOM 949 C ASN A 61 -9.556 -5.823 -28.513 1.00 0.00 C ATOM 950 O ASN A 61 -8.759 -5.366 -29.304 1.00 0.00 O ATOM 951 CB ASN A 61 -11.702 -4.758 -29.183 1.00 0.00 C ATOM 952 CG ASN A 61 -13.156 -5.020 -29.572 1.00 0.00 C ATOM 953 OD1 ASN A 61 -13.447 -5.458 -30.668 1.00 0.00 O ATOM 954 ND2 ASN A 61 -14.101 -4.768 -28.707 1.00 0.00 N ATOM 0 H ASN A 61 -12.158 -6.214 -27.141 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.991 -6.717 -29.821 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.659 -4.133 -28.291 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.193 -4.214 -29.978 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.076 -4.939 -28.953 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.864 -4.400 -27.786 1.00 0.00 H new ATOM 961 N CYS A 62 -9.258 -6.090 -27.274 1.00 0.00 N ATOM 962 CA CYS A 62 -7.875 -5.858 -26.775 1.00 0.00 C ATOM 963 C CYS A 62 -6.821 -6.423 -27.736 1.00 0.00 C ATOM 964 O CYS A 62 -5.641 -6.192 -27.561 1.00 0.00 O ATOM 965 CB CYS A 62 -7.731 -6.564 -25.418 1.00 0.00 C ATOM 966 SG CYS A 62 -8.697 -8.074 -25.161 1.00 0.00 S ATOM 0 H CYS A 62 -9.912 -6.459 -26.584 1.00 0.00 H new ATOM 0 HA CYS A 62 -7.713 -4.784 -26.689 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.678 -6.808 -25.275 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.002 -5.853 -24.637 1.00 0.00 H new ATOM 0 HG CYS A 62 -8.460 -8.544 -23.972 1.00 0.00 H new ATOM 972 N ASP A 63 -7.258 -7.153 -28.730 1.00 0.00 N ATOM 973 CA ASP A 63 -6.278 -7.728 -29.692 1.00 0.00 C ATOM 974 C ASP A 63 -5.991 -6.766 -30.847 1.00 0.00 C ATOM 975 O ASP A 63 -4.904 -6.767 -31.392 1.00 0.00 O ATOM 976 CB ASP A 63 -6.868 -9.025 -30.266 1.00 0.00 C ATOM 977 CG ASP A 63 -5.767 -9.806 -30.988 1.00 0.00 C ATOM 978 OD1 ASP A 63 -4.634 -9.668 -30.557 1.00 0.00 O ATOM 979 OD2 ASP A 63 -6.121 -10.498 -31.930 1.00 0.00 O ATOM 0 H ASP A 63 -8.237 -7.372 -28.914 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.343 -7.915 -29.164 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.294 -9.630 -29.465 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.679 -8.795 -30.957 1.00 0.00 H new ATOM 984 N THR A 64 -6.973 -5.965 -31.200 1.00 0.00 N ATOM 985 CA THR A 64 -6.773 -4.995 -32.320 1.00 0.00 C ATOM 986 C THR A 64 -7.218 -3.592 -31.911 1.00 0.00 C ATOM 987 O THR A 64 -6.459 -2.648 -32.013 1.00 0.00 O ATOM 988 CB THR A 64 -7.620 -5.452 -33.513 1.00 0.00 C ATOM 989 OG1 THR A 64 -7.773 -4.306 -34.326 1.00 0.00 O ATOM 990 CG2 THR A 64 -9.047 -5.806 -33.070 1.00 0.00 C ATOM 0 H THR A 64 -7.895 -5.943 -30.763 1.00 0.00 H new ATOM 0 HA THR A 64 -5.714 -4.964 -32.578 1.00 0.00 H new ATOM 0 HB THR A 64 -7.147 -6.309 -33.993 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.309 -4.533 -35.114 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.627 -6.127 -33.935 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.011 -6.612 -32.337 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.517 -4.930 -32.623 1.00 0.00 H new ATOM 998 N ASN A 65 -8.444 -3.488 -31.453 1.00 0.00 N ATOM 999 CA ASN A 65 -8.977 -2.165 -31.027 1.00 0.00 C ATOM 1000 C ASN A 65 -9.246 -2.168 -29.530 1.00 0.00 C ATOM 1001 O ASN A 65 -10.378 -2.225 -29.095 1.00 0.00 O ATOM 1002 CB ASN A 65 -10.295 -1.908 -31.774 1.00 0.00 C ATOM 1003 CG ASN A 65 -10.749 -0.471 -31.517 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -10.047 0.314 -30.913 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -11.915 -0.088 -31.959 1.00 0.00 N ATOM 0 H ASN A 65 -9.095 -4.267 -31.358 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.249 -1.386 -31.255 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.159 -2.073 -32.843 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.059 -2.609 -31.438 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.233 0.867 -31.797 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.508 -0.744 -32.467 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.191 -2.102 -28.772 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.339 -2.100 -27.296 1.00 0.00 C ATOM 1014 C GLU A 66 -9.047 -0.845 -26.831 1.00 0.00 C ATOM 1015 O GLU A 66 -9.412 -0.722 -25.682 1.00 0.00 O ATOM 1016 CB GLU A 66 -6.937 -2.136 -26.668 1.00 0.00 C ATOM 1017 CG GLU A 66 -6.173 -0.878 -27.082 1.00 0.00 C ATOM 1018 CD GLU A 66 -4.724 -0.986 -26.608 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -4.264 -2.112 -26.524 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -4.157 0.065 -26.356 1.00 0.00 O ATOM 0 H GLU A 66 -7.231 -2.049 -29.113 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.926 -2.967 -26.995 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.012 -2.190 -25.582 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.401 -3.027 -26.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.205 -0.759 -28.165 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.644 0.005 -26.650 1.00 0.00 H new ATOM 1027 N ALA A 67 -9.226 0.066 -27.735 1.00 0.00 N ATOM 1028 CA ALA A 67 -9.904 1.319 -27.374 1.00 0.00 C ATOM 1029 C ALA A 67 -11.329 1.031 -26.942 1.00 0.00 C ATOM 1030 O ALA A 67 -11.912 1.756 -26.157 1.00 0.00 O ATOM 1031 CB ALA A 67 -9.921 2.214 -28.615 1.00 0.00 C ATOM 0 H ALA A 67 -8.930 -0.008 -28.708 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.382 1.807 -26.551 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.419 3.154 -28.379 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.898 2.415 -28.933 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.458 1.711 -29.419 1.00 0.00 H new ATOM 1037 N ALA A 68 -11.861 -0.036 -27.461 1.00 0.00 N ATOM 1038 CA ALA A 68 -13.243 -0.414 -27.110 1.00 0.00 C ATOM 1039 C ALA A 68 -13.266 -1.206 -25.808 1.00 0.00 C ATOM 1040 O ALA A 68 -13.955 -0.849 -24.874 1.00 0.00 O ATOM 1041 CB ALA A 68 -13.789 -1.292 -28.240 1.00 0.00 C ATOM 0 H ALA A 68 -11.392 -0.662 -28.116 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.849 0.483 -26.980 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.812 -1.588 -28.009 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.776 -0.732 -29.175 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.168 -2.182 -28.342 1.00 0.00 H new ATOM 1047 N TYR A 69 -12.509 -2.271 -25.772 1.00 0.00 N ATOM 1048 CA TYR A 69 -12.473 -3.098 -24.540 1.00 0.00 C ATOM 1049 C TYR A 69 -12.147 -2.231 -23.331 1.00 0.00 C ATOM 1050 O TYR A 69 -12.566 -2.516 -22.227 1.00 0.00 O ATOM 1051 CB TYR A 69 -11.371 -4.159 -24.702 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.949 -4.675 -23.323 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -11.591 -5.756 -22.751 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -9.913 -4.074 -22.638 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -11.204 -6.226 -21.513 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -9.525 -4.544 -21.400 1.00 0.00 C ATOM 1057 CZ TYR A 69 -10.167 -5.623 -20.827 1.00 0.00 C ATOM 1058 OH TYR A 69 -9.777 -6.094 -19.590 1.00 0.00 O ATOM 0 H TYR A 69 -11.920 -2.598 -26.538 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.445 -3.567 -24.388 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.734 -4.984 -25.315 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.513 -3.731 -25.220 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.402 -6.237 -23.277 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.402 -3.229 -23.074 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.715 -7.071 -21.077 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.712 -4.064 -20.875 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.949 -7.057 -19.538 1.00 0.00 H new ATOM 1068 N LYS A 70 -11.401 -1.183 -23.564 1.00 0.00 N ATOM 1069 CA LYS A 70 -11.036 -0.283 -22.444 1.00 0.00 C ATOM 1070 C LYS A 70 -12.216 0.592 -22.053 1.00 0.00 C ATOM 1071 O LYS A 70 -12.611 0.631 -20.904 1.00 0.00 O ATOM 1072 CB LYS A 70 -9.878 0.620 -22.901 1.00 0.00 C ATOM 1073 CG LYS A 70 -9.191 1.216 -21.671 1.00 0.00 C ATOM 1074 CD LYS A 70 -8.336 2.410 -22.101 1.00 0.00 C ATOM 1075 CE LYS A 70 -7.000 1.901 -22.649 1.00 0.00 C ATOM 1076 NZ LYS A 70 -6.254 1.154 -21.597 1.00 0.00 N ATOM 0 H LYS A 70 -11.033 -0.917 -24.477 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.744 -0.884 -21.583 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.163 0.045 -23.489 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.253 1.416 -23.544 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.936 1.531 -20.941 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.569 0.463 -21.187 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.857 2.991 -22.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.166 3.075 -21.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.176 1.253 -23.508 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.401 2.741 -23.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.232 1.282 -21.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.521 1.515 -20.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.488 0.142 -21.658 1.00 0.00 H new ATOM 1090 N ALA A 71 -12.761 1.281 -23.017 1.00 0.00 N ATOM 1091 CA ALA A 71 -13.918 2.158 -22.718 1.00 0.00 C ATOM 1092 C ALA A 71 -14.981 1.391 -21.942 1.00 0.00 C ATOM 1093 O ALA A 71 -15.427 1.826 -20.898 1.00 0.00 O ATOM 1094 CB ALA A 71 -14.521 2.633 -24.048 1.00 0.00 C ATOM 0 H ALA A 71 -12.456 1.273 -23.990 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.584 3.004 -22.117 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.375 3.281 -23.850 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.769 3.186 -24.611 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.847 1.770 -24.628 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.368 0.259 -22.466 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.398 -0.548 -21.773 1.00 0.00 C ATOM 1102 C ARG A 72 -15.954 -0.870 -20.353 1.00 0.00 C ATOM 1103 O ARG A 72 -16.578 -0.452 -19.397 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.581 -1.864 -22.540 1.00 0.00 C ATOM 1105 CG ARG A 72 -17.056 -1.555 -23.960 1.00 0.00 C ATOM 1106 CD ARG A 72 -18.544 -1.209 -23.925 1.00 0.00 C ATOM 1107 NE ARG A 72 -19.074 -1.218 -25.316 1.00 0.00 N ATOM 1108 CZ ARG A 72 -20.232 -1.770 -25.556 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -20.575 -2.832 -24.880 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -21.008 -1.240 -26.461 1.00 0.00 N ATOM 0 H ARG A 72 -15.015 -0.135 -23.338 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.330 0.015 -21.735 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.641 -2.415 -22.570 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.307 -2.498 -22.031 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.486 -0.723 -24.375 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.885 -2.414 -24.609 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.084 -1.930 -23.311 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.693 -0.229 -23.471 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.537 -0.797 -26.074 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.942 -3.216 -24.178 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.476 -3.278 -25.053 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.706 -0.408 -26.968 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.917 -1.658 -26.662 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.879 -1.611 -20.245 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.367 -1.978 -18.898 1.00 0.00 C ATOM 1126 C TYR A 73 -14.491 -0.812 -17.923 1.00 0.00 C ATOM 1127 O TYR A 73 -15.232 -0.869 -16.970 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.883 -2.328 -19.022 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.291 -2.404 -17.618 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.611 -3.454 -16.787 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.464 -1.406 -17.148 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.117 -3.503 -15.503 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -10.969 -1.457 -15.862 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.292 -2.507 -15.030 1.00 0.00 C ATOM 1135 OH TYR A 73 -10.805 -2.555 -13.741 1.00 0.00 O ATOM 0 H TYR A 73 -14.339 -1.974 -21.030 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.952 -2.819 -18.525 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.759 -3.280 -19.539 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.363 -1.574 -19.613 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.254 -4.245 -17.145 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.202 -0.579 -17.791 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.379 -4.331 -14.860 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.324 -0.668 -15.504 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.337 -1.964 -13.168 1.00 0.00 H new ATOM 1145 N ARG A 74 -13.759 0.227 -18.197 1.00 0.00 N ATOM 1146 CA ARG A 74 -13.798 1.424 -17.313 1.00 0.00 C ATOM 1147 C ARG A 74 -15.209 1.737 -16.822 1.00 0.00 C ATOM 1148 O ARG A 74 -15.469 1.738 -15.637 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.290 2.627 -18.121 1.00 0.00 C ATOM 1150 CG ARG A 74 -13.632 3.917 -17.369 1.00 0.00 C ATOM 1151 CD ARG A 74 -12.957 5.100 -18.067 1.00 0.00 C ATOM 1152 NE ARG A 74 -14.008 5.988 -18.636 1.00 0.00 N ATOM 1153 CZ ARG A 74 -14.128 6.090 -19.932 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -14.550 5.059 -20.611 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -13.818 7.221 -20.506 1.00 0.00 N ATOM 0 H ARG A 74 -13.132 0.301 -18.998 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.177 1.222 -16.440 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.213 2.553 -18.269 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.748 2.636 -19.110 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.712 4.062 -17.344 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.295 3.849 -16.335 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.339 5.653 -17.359 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.296 4.744 -18.857 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.629 6.512 -18.019 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.780 4.190 -20.129 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.649 5.122 -21.624 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.489 8.005 -19.943 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.905 7.320 -21.517 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.088 2.003 -17.739 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.486 2.322 -17.343 1.00 0.00 C ATOM 1171 C ILE A 75 -18.269 1.070 -16.956 1.00 0.00 C ATOM 1172 O ILE A 75 -18.589 0.865 -15.803 1.00 0.00 O ATOM 1173 CB ILE A 75 -18.176 2.988 -18.540 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.285 4.086 -19.112 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.489 3.630 -18.057 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -17.383 5.333 -18.225 1.00 0.00 C ATOM 0 H ILE A 75 -15.903 2.014 -18.742 1.00 0.00 H new ATOM 0 HA ILE A 75 -17.461 2.980 -16.474 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.369 2.238 -19.307 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -16.252 3.742 -19.163 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.592 4.325 -20.130 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -19.991 4.108 -18.898 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.137 2.861 -17.637 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -19.270 4.376 -17.294 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -16.747 6.119 -18.631 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -18.416 5.680 -18.197 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -17.056 5.088 -17.215 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.563 0.263 -17.928 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.325 -0.981 -17.651 1.00 0.00 C ATOM 1190 C ILE A 76 -18.855 -1.671 -16.358 1.00 0.00 C ATOM 1191 O ILE A 76 -19.626 -2.341 -15.705 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.127 -1.920 -18.860 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.461 -2.522 -19.282 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -18.169 -3.070 -18.479 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -20.357 -2.979 -20.737 1.00 0.00 C ATOM 0 H ILE A 76 -18.309 0.410 -18.905 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.378 -0.738 -17.507 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.708 -1.340 -19.682 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.715 -3.365 -18.639 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -21.258 -1.787 -19.173 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.033 -3.729 -19.336 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.205 -2.657 -18.182 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.592 -3.636 -17.649 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.307 -3.412 -21.051 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.121 -2.124 -21.371 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.569 -3.727 -20.828 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.601 -1.487 -16.018 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.064 -2.129 -14.768 1.00 0.00 C ATOM 1209 C TYR A 77 -18.089 -2.098 -13.642 1.00 0.00 C ATOM 1210 O TYR A 77 -18.177 -3.015 -12.863 1.00 0.00 O ATOM 1211 CB TYR A 77 -15.804 -1.352 -14.317 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.605 -1.490 -12.795 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -16.405 -0.793 -11.912 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -14.594 -2.288 -12.289 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -16.197 -0.887 -10.550 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -14.387 -2.382 -10.926 1.00 0.00 C ATOM 1217 CZ TYR A 77 -15.188 -1.682 -10.047 1.00 0.00 C ATOM 1218 OH TYR A 77 -14.983 -1.773 -8.684 1.00 0.00 O ATOM 0 H TYR A 77 -16.930 -0.927 -16.543 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.827 -3.170 -14.987 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -14.927 -1.733 -14.841 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -15.903 -0.300 -14.584 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.201 -0.168 -12.290 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -13.961 -2.843 -12.966 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -16.830 -0.333 -9.873 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -13.593 -3.008 -10.546 1.00 0.00 H new ATOM 0 HH TYR A 77 -15.764 -1.417 -8.211 1.00 0.00 H new ATOM 1228 N SER A 78 -18.851 -1.049 -13.581 1.00 0.00 N ATOM 1229 CA SER A 78 -19.870 -0.957 -12.505 1.00 0.00 C ATOM 1230 C SER A 78 -20.783 -2.172 -12.501 1.00 0.00 C ATOM 1231 O SER A 78 -20.802 -2.931 -11.553 1.00 0.00 O ATOM 1232 CB SER A 78 -20.718 0.300 -12.746 1.00 0.00 C ATOM 1233 OG SER A 78 -20.190 0.851 -13.943 1.00 0.00 O ATOM 0 H SER A 78 -18.815 -0.257 -14.223 1.00 0.00 H new ATOM 0 HA SER A 78 -19.359 -0.910 -11.543 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.774 0.053 -12.853 1.00 0.00 H new ATOM 0 HB3 SER A 78 -20.637 1.001 -11.915 1.00 0.00 H new ATOM 0 HG SER A 78 -20.682 1.667 -14.172 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.525 -2.337 -13.554 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.441 -3.502 -13.614 1.00 0.00 C ATOM 1241 C ASN A 79 -21.680 -4.809 -13.439 1.00 0.00 C ATOM 1242 O ASN A 79 -22.226 -5.773 -12.956 1.00 0.00 O ATOM 1243 CB ASN A 79 -23.133 -3.513 -14.986 1.00 0.00 C ATOM 1244 CG ASN A 79 -22.081 -3.378 -16.087 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -21.256 -4.248 -16.283 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -22.077 -2.306 -16.831 1.00 0.00 N ATOM 0 H ASN A 79 -21.538 -1.723 -14.368 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.170 -3.414 -12.808 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.694 -4.439 -15.115 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -23.850 -2.694 -15.051 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -21.384 -2.202 -17.572 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -22.767 -1.572 -16.672 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.432 -4.826 -13.832 1.00 0.00 N ATOM 1254 CA VAL A 80 -19.658 -6.084 -13.677 1.00 0.00 C ATOM 1255 C VAL A 80 -19.564 -6.476 -12.209 1.00 0.00 C ATOM 1256 O VAL A 80 -19.625 -7.642 -11.878 1.00 0.00 O ATOM 1257 CB VAL A 80 -18.240 -5.888 -14.238 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -17.487 -7.218 -14.169 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -18.331 -5.445 -15.699 1.00 0.00 C ATOM 0 H VAL A 80 -19.928 -4.040 -14.244 1.00 0.00 H new ATOM 0 HA VAL A 80 -20.169 -6.876 -14.224 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.716 -5.131 -13.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.480 -7.087 -14.565 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.429 -7.550 -13.132 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.015 -7.966 -14.760 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.327 -5.305 -16.100 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -18.850 -6.208 -16.279 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.881 -4.506 -15.761 1.00 0.00 H new ATOM 1269 N ILE A 81 -19.415 -5.500 -11.341 1.00 0.00 N ATOM 1270 CA ILE A 81 -19.321 -5.847 -9.903 1.00 0.00 C ATOM 1271 C ILE A 81 -20.676 -6.325 -9.411 1.00 0.00 C ATOM 1272 O ILE A 81 -20.797 -6.867 -8.330 1.00 0.00 O ATOM 1273 CB ILE A 81 -18.903 -4.604 -9.097 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -17.813 -3.820 -9.830 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.336 -5.068 -7.741 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -16.838 -4.787 -10.527 1.00 0.00 C ATOM 0 H ILE A 81 -19.357 -4.507 -11.566 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.580 -6.635 -9.770 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.774 -3.962 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.266 -3.156 -10.566 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.270 -3.191 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.034 -4.199 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.101 -5.623 -7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.471 -5.710 -7.909 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.067 -4.216 -11.045 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.372 -5.433 -9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.383 -5.397 -11.247 1.00 0.00 H new ATOM 1288 N SER A 82 -21.678 -6.114 -10.226 1.00 0.00 N ATOM 1289 CA SER A 82 -23.040 -6.544 -9.841 1.00 0.00 C ATOM 1290 C SER A 82 -23.333 -7.932 -10.402 1.00 0.00 C ATOM 1291 O SER A 82 -23.715 -8.831 -9.679 1.00 0.00 O ATOM 1292 CB SER A 82 -24.050 -5.548 -10.433 1.00 0.00 C ATOM 1293 OG SER A 82 -23.364 -4.304 -10.415 1.00 0.00 O ATOM 0 H SER A 82 -21.604 -5.663 -11.138 1.00 0.00 H new ATOM 0 HA SER A 82 -23.117 -6.575 -8.754 1.00 0.00 H new ATOM 0 HB2 SER A 82 -24.339 -5.829 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.964 -5.508 -9.840 1.00 0.00 H new ATOM 0 HG SER A 82 -23.944 -3.605 -10.782 1.00 0.00 H new ATOM 1299 N LYS A 83 -23.135 -8.075 -11.688 1.00 0.00 N ATOM 1300 CA LYS A 83 -23.386 -9.385 -12.345 1.00 0.00 C ATOM 1301 C LYS A 83 -22.285 -9.688 -13.357 1.00 0.00 C ATOM 1302 O LYS A 83 -21.761 -8.795 -13.991 1.00 0.00 O ATOM 1303 CB LYS A 83 -24.725 -9.303 -13.097 1.00 0.00 C ATOM 1304 CG LYS A 83 -25.879 -9.431 -12.099 1.00 0.00 C ATOM 1305 CD LYS A 83 -26.635 -10.734 -12.368 1.00 0.00 C ATOM 1306 CE LYS A 83 -25.756 -11.917 -11.955 1.00 0.00 C ATOM 1307 NZ LYS A 83 -26.579 -13.150 -11.806 1.00 0.00 N ATOM 0 H LYS A 83 -22.809 -7.335 -12.310 1.00 0.00 H new ATOM 0 HA LYS A 83 -23.407 -10.169 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -24.796 -8.356 -13.632 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -24.785 -10.096 -13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -25.496 -9.423 -11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -26.553 -8.580 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -27.571 -10.748 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -26.893 -10.808 -13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -24.979 -12.079 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -25.252 -11.693 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -25.968 -13.943 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -27.305 -12.997 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -27.040 -13.371 -12.712 1.00 0.00 H new ATOM 1321 N ASN A 84 -21.954 -10.944 -13.496 1.00 0.00 N ATOM 1322 CA ASN A 84 -20.889 -11.309 -14.466 1.00 0.00 C ATOM 1323 C ASN A 84 -21.416 -11.261 -15.899 1.00 0.00 C ATOM 1324 O ASN A 84 -21.635 -12.283 -16.521 1.00 0.00 O ATOM 1325 CB ASN A 84 -20.417 -12.738 -14.152 1.00 0.00 C ATOM 1326 CG ASN A 84 -19.045 -12.964 -14.790 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -18.189 -13.623 -14.231 1.00 0.00 O ATOM 1328 ND2 ASN A 84 -18.794 -12.436 -15.958 1.00 0.00 N ATOM 0 H ASN A 84 -22.371 -11.722 -12.985 1.00 0.00 H new ATOM 0 HA ASN A 84 -20.067 -10.598 -14.378 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -20.359 -12.886 -13.074 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -21.134 -13.464 -14.536 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.884 -12.577 -16.397 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.508 -11.882 -16.432 1.00 0.00 H new ATOM 1335 N ASN A 85 -21.604 -10.068 -16.401 1.00 0.00 N ATOM 1336 CA ASN A 85 -22.116 -9.928 -17.786 1.00 0.00 C ATOM 1337 C ASN A 85 -21.767 -8.548 -18.360 1.00 0.00 C ATOM 1338 O ASN A 85 -22.532 -7.611 -18.238 1.00 0.00 O ATOM 1339 CB ASN A 85 -23.645 -10.061 -17.745 1.00 0.00 C ATOM 1340 CG ASN A 85 -24.020 -11.340 -16.996 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -24.196 -11.340 -15.793 1.00 0.00 O ATOM 1342 ND2 ASN A 85 -24.149 -12.452 -17.668 1.00 0.00 N ATOM 0 H ASN A 85 -21.425 -9.192 -15.910 1.00 0.00 H new ATOM 0 HA ASN A 85 -21.663 -10.696 -18.413 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -24.084 -9.194 -17.251 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -24.047 -10.088 -18.758 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.396 -13.315 -17.184 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -24.003 -12.458 -18.677 1.00 0.00 H new ATOM 1349 N PRO A 86 -20.604 -8.451 -18.982 1.00 0.00 N ATOM 1350 CA PRO A 86 -20.159 -7.191 -19.570 1.00 0.00 C ATOM 1351 C PRO A 86 -21.073 -6.764 -20.716 1.00 0.00 C ATOM 1352 O PRO A 86 -20.973 -5.664 -21.211 1.00 0.00 O ATOM 1353 CB PRO A 86 -18.739 -7.482 -20.109 1.00 0.00 C ATOM 1354 CG PRO A 86 -18.417 -8.975 -19.781 1.00 0.00 C ATOM 1355 CD PRO A 86 -19.671 -9.579 -19.131 1.00 0.00 C ATOM 0 HA PRO A 86 -20.174 -6.382 -18.840 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.692 -7.305 -21.184 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -18.008 -6.820 -19.645 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -18.154 -9.520 -20.688 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -17.563 -9.045 -19.107 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -20.098 -10.365 -19.753 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.438 -10.028 -18.166 1.00 0.00 H new ATOM 1363 N ASP A 87 -21.937 -7.653 -21.119 1.00 0.00 N ATOM 1364 CA ASP A 87 -22.867 -7.327 -22.225 1.00 0.00 C ATOM 1365 C ASP A 87 -22.088 -7.017 -23.478 1.00 0.00 C ATOM 1366 O ASP A 87 -22.646 -6.621 -24.482 1.00 0.00 O ATOM 1367 CB ASP A 87 -23.698 -6.090 -21.834 1.00 0.00 C ATOM 1368 CG ASP A 87 -24.062 -6.170 -20.351 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -24.350 -7.276 -19.923 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -24.034 -5.120 -19.730 1.00 0.00 O ATOM 0 H ASP A 87 -22.036 -8.590 -20.728 1.00 0.00 H new ATOM 0 HA ASP A 87 -23.521 -8.179 -22.408 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -23.131 -5.180 -22.032 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -24.603 -6.040 -22.440 1.00 0.00 H new ATOM 1375 N LEU A 88 -20.803 -7.207 -23.401 1.00 0.00 N ATOM 1376 CA LEU A 88 -19.965 -6.930 -24.575 1.00 0.00 C ATOM 1377 C LEU A 88 -20.152 -8.019 -25.631 1.00 0.00 C ATOM 1378 O LEU A 88 -19.692 -7.894 -26.749 1.00 0.00 O ATOM 1379 CB LEU A 88 -18.489 -6.905 -24.126 1.00 0.00 C ATOM 1380 CG LEU A 88 -17.630 -6.269 -25.225 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -18.157 -4.863 -25.531 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -16.179 -6.172 -24.736 1.00 0.00 C ATOM 0 H LEU A 88 -20.307 -7.541 -22.575 1.00 0.00 H new ATOM 0 HA LEU A 88 -20.251 -5.971 -25.008 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.389 -6.340 -23.199 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.143 -7.918 -23.920 1.00 0.00 H new ATOM 0 HG LEU A 88 -17.675 -6.880 -26.127 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.548 -4.408 -26.312 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.191 -4.928 -25.869 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -18.107 -4.252 -24.630 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.563 -5.720 -25.513 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.138 -5.557 -23.837 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.804 -7.170 -24.510 1.00 0.00 H new ATOM 1579 N PHE A 101 -26.670 -4.992 -48.165 1.00 0.00 N ATOM 1580 CA PHE A 101 -25.812 -4.386 -49.198 1.00 0.00 C ATOM 1581 C PHE A 101 -24.922 -5.433 -49.856 1.00 0.00 C ATOM 1582 O PHE A 101 -24.258 -5.163 -50.834 1.00 0.00 O ATOM 1583 CB PHE A 101 -24.927 -3.355 -48.484 1.00 0.00 C ATOM 1584 CG PHE A 101 -23.762 -4.072 -47.869 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -23.936 -4.812 -46.724 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -22.525 -4.020 -48.461 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -22.890 -5.497 -46.179 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -21.471 -4.703 -47.921 1.00 0.00 C ATOM 1589 CZ PHE A 101 -21.648 -5.446 -46.774 1.00 0.00 C ATOM 0 HA PHE A 101 -26.425 -3.933 -49.977 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -24.578 -2.602 -49.190 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -25.498 -2.832 -47.717 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -24.907 -4.851 -46.253 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -22.383 -3.436 -49.359 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -23.035 -6.079 -45.281 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -20.501 -4.660 -48.393 1.00 0.00 H new ATOM 0 HZ PHE A 101 -20.817 -5.986 -46.343 1.00 0.00 H new ATOM 1599 N LEU A 102 -24.919 -6.599 -49.292 1.00 0.00 N ATOM 1600 CA LEU A 102 -24.085 -7.692 -49.854 1.00 0.00 C ATOM 1601 C LEU A 102 -24.177 -7.748 -51.379 1.00 0.00 C ATOM 1602 O LEU A 102 -23.350 -8.355 -52.028 1.00 0.00 O ATOM 1603 CB LEU A 102 -24.599 -9.022 -49.286 1.00 0.00 C ATOM 1604 CG LEU A 102 -23.779 -9.386 -48.050 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -24.507 -10.481 -47.265 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -22.411 -9.908 -48.492 1.00 0.00 C ATOM 0 H LEU A 102 -25.459 -6.847 -48.463 1.00 0.00 H new ATOM 0 HA LEU A 102 -23.045 -7.510 -49.583 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -25.654 -8.937 -49.026 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -24.518 -9.808 -50.037 1.00 0.00 H new ATOM 0 HG LEU A 102 -23.652 -8.506 -47.420 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -23.925 -10.744 -46.382 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -25.488 -10.118 -46.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -24.627 -11.362 -47.896 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -21.820 -10.170 -47.614 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -22.543 -10.791 -49.117 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -21.893 -9.136 -49.061 1.00 0.00 H new ATOM 1618 N ALA A 103 -25.176 -7.114 -51.921 1.00 0.00 N ATOM 1619 CA ALA A 103 -25.329 -7.126 -53.401 1.00 0.00 C ATOM 1620 C ALA A 103 -24.271 -6.262 -54.089 1.00 0.00 C ATOM 1621 O ALA A 103 -23.765 -6.619 -55.133 1.00 0.00 O ATOM 1622 CB ALA A 103 -26.717 -6.570 -53.743 1.00 0.00 C ATOM 0 H ALA A 103 -25.888 -6.592 -51.410 1.00 0.00 H new ATOM 0 HA ALA A 103 -25.208 -8.150 -53.753 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -26.852 -6.569 -54.825 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -27.483 -7.194 -53.282 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -26.804 -5.551 -53.366 1.00 0.00 H new ATOM 1628 N THR A 104 -23.956 -5.143 -53.490 1.00 0.00 N ATOM 1629 CA THR A 104 -22.938 -4.248 -54.098 1.00 0.00 C ATOM 1630 C THR A 104 -21.569 -4.481 -53.480 1.00 0.00 C ATOM 1631 O THR A 104 -20.583 -3.922 -53.919 1.00 0.00 O ATOM 1632 CB THR A 104 -23.354 -2.801 -53.831 1.00 0.00 C ATOM 1633 OG1 THR A 104 -24.750 -2.769 -54.049 1.00 0.00 O ATOM 1634 CG2 THR A 104 -22.775 -1.866 -54.898 1.00 0.00 C ATOM 0 H THR A 104 -24.359 -4.815 -52.612 1.00 0.00 H new ATOM 0 HA THR A 104 -22.877 -4.454 -55.167 1.00 0.00 H new ATOM 0 HB THR A 104 -23.026 -2.497 -52.837 1.00 0.00 H new ATOM 0 HG1 THR A 104 -25.085 -1.862 -53.892 1.00 0.00 H new ATOM 0 HG21 THR A 104 -23.083 -0.841 -54.690 1.00 0.00 H new ATOM 0 HG22 THR A 104 -21.687 -1.928 -54.884 1.00 0.00 H new ATOM 0 HG23 THR A 104 -23.143 -2.163 -55.880 1.00 0.00 H new ATOM 1642 N CYS A 105 -21.532 -5.299 -52.471 1.00 0.00 N ATOM 1643 CA CYS A 105 -20.238 -5.583 -51.811 1.00 0.00 C ATOM 1644 C CYS A 105 -19.166 -5.919 -52.841 1.00 0.00 C ATOM 1645 O CYS A 105 -17.997 -5.985 -52.520 1.00 0.00 O ATOM 1646 CB CYS A 105 -20.424 -6.786 -50.874 1.00 0.00 C ATOM 1647 SG CYS A 105 -18.948 -7.436 -50.052 1.00 0.00 S ATOM 0 H CYS A 105 -22.340 -5.781 -52.077 1.00 0.00 H new ATOM 0 HA CYS A 105 -19.921 -4.701 -51.255 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -21.143 -6.505 -50.104 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -20.873 -7.595 -51.450 1.00 0.00 H new ATOM 0 HG CYS A 105 -17.891 -7.110 -50.736 1.00 0.00 H new ATOM 1653 N ASP A 106 -19.584 -6.128 -54.064 1.00 0.00 N ATOM 1654 CA ASP A 106 -18.594 -6.460 -55.119 1.00 0.00 C ATOM 1655 C ASP A 106 -18.121 -5.203 -55.819 1.00 0.00 C ATOM 1656 O ASP A 106 -16.993 -4.783 -55.651 1.00 0.00 O ATOM 1657 CB ASP A 106 -19.266 -7.381 -56.152 1.00 0.00 C ATOM 1658 CG ASP A 106 -20.774 -7.106 -56.177 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -21.120 -5.962 -55.933 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -21.492 -8.057 -56.440 1.00 0.00 O ATOM 0 H ASP A 106 -20.556 -6.083 -54.370 1.00 0.00 H new ATOM 0 HA ASP A 106 -17.737 -6.953 -54.661 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -18.838 -7.211 -57.140 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.080 -8.425 -55.900 1.00 0.00 H new ATOM 1665 N ALA A 107 -18.986 -4.620 -56.593 1.00 0.00 N ATOM 1666 CA ALA A 107 -18.593 -3.391 -57.303 1.00 0.00 C ATOM 1667 C ALA A 107 -18.203 -2.331 -56.301 1.00 0.00 C ATOM 1668 O ALA A 107 -17.689 -1.290 -56.656 1.00 0.00 O ATOM 1669 CB ALA A 107 -19.792 -2.889 -58.121 1.00 0.00 C ATOM 0 H ALA A 107 -19.939 -4.942 -56.761 1.00 0.00 H new ATOM 0 HA ALA A 107 -17.748 -3.599 -57.959 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -19.514 -1.979 -58.652 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -20.087 -3.653 -58.840 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -20.626 -2.679 -57.452 1.00 0.00 H new ATOM 1675 N LYS A 108 -18.456 -2.616 -55.052 1.00 0.00 N ATOM 1676 CA LYS A 108 -18.108 -1.638 -54.003 1.00 0.00 C ATOM 1677 C LYS A 108 -16.671 -1.187 -54.179 1.00 0.00 C ATOM 1678 O LYS A 108 -16.339 -0.052 -53.903 1.00 0.00 O ATOM 1679 CB LYS A 108 -18.289 -2.318 -52.627 1.00 0.00 C ATOM 1680 CG LYS A 108 -17.551 -1.518 -51.540 1.00 0.00 C ATOM 1681 CD LYS A 108 -18.166 -0.119 -51.430 1.00 0.00 C ATOM 1682 CE LYS A 108 -17.422 0.671 -50.353 1.00 0.00 C ATOM 1683 NZ LYS A 108 -16.585 1.735 -50.973 1.00 0.00 N ATOM 0 H LYS A 108 -18.886 -3.480 -54.722 1.00 0.00 H new ATOM 0 HA LYS A 108 -18.754 -0.763 -54.072 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -19.349 -2.386 -52.383 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -17.905 -3.337 -52.663 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -17.621 -2.034 -50.583 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -16.491 -1.443 -51.785 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -18.100 0.397 -52.388 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -19.224 -0.192 -51.179 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.137 1.118 -49.662 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.793 -0.001 -49.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.086 2.262 -50.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.891 1.301 -51.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.193 2.386 -51.510 1.00 0.00 H new ATOM 1697 N ASP A 109 -15.835 -2.080 -54.635 1.00 0.00 N ATOM 1698 CA ASP A 109 -14.427 -1.688 -54.827 1.00 0.00 C ATOM 1699 C ASP A 109 -14.422 -0.429 -55.641 1.00 0.00 C ATOM 1700 O ASP A 109 -13.686 0.501 -55.376 1.00 0.00 O ATOM 1701 CB ASP A 109 -13.697 -2.796 -55.598 1.00 0.00 C ATOM 1702 CG ASP A 109 -12.186 -2.607 -55.447 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -11.755 -2.592 -54.306 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -11.551 -2.486 -56.480 1.00 0.00 O ATOM 0 H ASP A 109 -16.067 -3.043 -54.876 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.929 -1.533 -53.870 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.992 -3.774 -55.218 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.975 -2.766 -56.651 1.00 0.00 H new ATOM 1709 N LEU A 110 -15.261 -0.432 -56.631 1.00 0.00 N ATOM 1710 CA LEU A 110 -15.368 0.732 -57.505 1.00 0.00 C ATOM 1711 C LEU A 110 -16.823 0.917 -57.887 1.00 0.00 C ATOM 1712 O LEU A 110 -17.263 0.477 -58.932 1.00 0.00 O ATOM 1713 CB LEU A 110 -14.538 0.488 -58.776 1.00 0.00 C ATOM 1714 CG LEU A 110 -14.664 -0.977 -59.181 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -14.969 -1.065 -60.679 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -13.342 -1.695 -58.893 1.00 0.00 C ATOM 0 H LEU A 110 -15.880 -1.208 -56.865 1.00 0.00 H new ATOM 0 HA LEU A 110 -14.998 1.621 -56.994 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -14.887 1.132 -59.583 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -13.493 0.740 -58.597 1.00 0.00 H new ATOM 0 HG LEU A 110 -15.469 -1.445 -58.615 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -15.060 -2.111 -60.971 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -15.904 -0.547 -60.891 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -14.161 -0.600 -61.243 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -13.427 -2.743 -59.181 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.541 -1.226 -59.464 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -13.116 -1.628 -57.829 1.00 0.00 H new ATOM 1728 N ALA A 111 -17.544 1.574 -57.019 1.00 0.00 N ATOM 1729 CA ALA A 111 -18.983 1.819 -57.287 1.00 0.00 C ATOM 1730 C ALA A 111 -19.283 3.206 -57.919 1.00 0.00 C ATOM 1731 O ALA A 111 -20.355 3.404 -58.458 1.00 0.00 O ATOM 1732 CB ALA A 111 -19.732 1.731 -55.950 1.00 0.00 C ATOM 0 H ALA A 111 -17.195 1.950 -56.137 1.00 0.00 H new ATOM 0 HA ALA A 111 -19.306 1.069 -58.009 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -20.795 1.907 -56.116 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -19.592 0.740 -55.519 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -19.342 2.483 -55.264 1.00 0.00 H new ATOM 1738 N PRO A 112 -18.341 4.153 -57.853 1.00 0.00 N ATOM 1739 CA PRO A 112 -18.573 5.477 -58.428 1.00 0.00 C ATOM 1740 C PRO A 112 -18.863 5.397 -59.923 1.00 0.00 C ATOM 1741 O PRO A 112 -17.974 5.183 -60.723 1.00 0.00 O ATOM 1742 CB PRO A 112 -17.264 6.257 -58.180 1.00 0.00 C ATOM 1743 CG PRO A 112 -16.350 5.350 -57.305 1.00 0.00 C ATOM 1744 CD PRO A 112 -17.016 3.967 -57.241 1.00 0.00 C ATOM 0 HA PRO A 112 -19.440 5.958 -57.975 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -16.776 6.500 -59.124 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -17.468 7.201 -57.674 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -15.352 5.277 -57.737 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -16.235 5.769 -56.305 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.432 3.223 -57.782 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.102 3.618 -56.212 1.00 0.00 H new ATOM 1752 N ALA A 113 -20.111 5.566 -60.266 1.00 0.00 N ATOM 1753 CA ALA A 113 -20.491 5.507 -61.693 1.00 0.00 C ATOM 1754 C ALA A 113 -20.300 6.864 -62.382 1.00 0.00 C ATOM 1755 O ALA A 113 -19.708 6.944 -63.440 1.00 0.00 O ATOM 1756 CB ALA A 113 -21.972 5.098 -61.788 1.00 0.00 C ATOM 0 H ALA A 113 -20.878 5.742 -59.616 1.00 0.00 H new ATOM 0 HA ALA A 113 -19.851 4.781 -62.194 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -22.270 5.050 -62.835 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -22.110 4.120 -61.326 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -22.587 5.834 -61.270 1.00 0.00 H new