USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 615 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 70 ASN : amide:sc= -2.98! C(o=-2.6!,f=-14!) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.339 X(o=-2.6,f=-3) USER MOD Set 2.1: A 56 GLN : amide:sc= -1.78! C(o=-2.2!,f=-2!) USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= -0.396 USER MOD Set 2.3: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= 1.1 USER MOD Set 3.2: A 39 SER OG : rot 93:sc= 1.25 USER MOD Set 4.1: A 21 LYS NZ :NH3+ 175:sc= 1.7 (180deg=0.523) USER MOD Set 4.2: A 26 GLN : amide:sc= 0.963 K(o=2.7,f=-4) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= -0.686 (180deg=-2.47!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= 1.17 (180deg=0.792) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -70:sc= 1.17 USER MOD Single : A 38 SER OG : rot 98:sc= 1.21 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.803 K(o=0.8,f=-2.5!) USER MOD Single : A 49 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.01) USER MOD Single : A 50 THR OG1 : rot -150:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 169:sc=-0.00936 (180deg=-0.287) USER MOD Single : A 59 TYR OH : rot 155:sc= 0.0481 USER MOD Single : A 60 SER OG : rot 113:sc= 0.04 USER MOD Single : A 68 TYR OH : rot -125:sc= 1.2 USER MOD Single : A 74 TYR OH : rot -173:sc= -1.51! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -90:sc= -0.999 USER MOD ----------------------------------------------------------------- ATOM 224 N LYS A 15 -13.712 1.571 -2.325 1.00 0.00 N ATOM 225 CA LYS A 15 -12.278 1.479 -2.520 1.00 0.00 C ATOM 226 C LYS A 15 -11.747 2.753 -3.151 1.00 0.00 C ATOM 227 O LYS A 15 -12.348 3.306 -4.076 1.00 0.00 O ATOM 228 CB LYS A 15 -11.888 0.276 -3.384 1.00 0.00 C ATOM 229 CG LYS A 15 -12.083 -1.075 -2.705 1.00 0.00 C ATOM 230 CD LYS A 15 -13.540 -1.525 -2.693 1.00 0.00 C ATOM 231 CE LYS A 15 -13.950 -2.187 -4.008 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.017 -1.226 -5.143 1.00 0.00 N ATOM 0 HA LYS A 15 -11.830 1.342 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.476 0.297 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.842 0.376 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.480 -1.825 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.717 -1.018 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.696 -2.225 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.183 -0.665 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.239 -2.977 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.923 -2.662 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.698 -1.570 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.322 -0.296 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.078 -1.140 -5.581 1.00 0.00 H new ATOM 246 N ILE A 16 -10.620 3.205 -2.644 1.00 0.00 N ATOM 247 CA ILE A 16 -9.972 4.396 -3.150 1.00 0.00 C ATOM 248 C ILE A 16 -8.858 4.015 -4.107 1.00 0.00 C ATOM 249 O ILE A 16 -8.336 2.898 -4.061 1.00 0.00 O ATOM 250 CB ILE A 16 -9.390 5.267 -2.014 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.466 4.438 -1.113 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.511 5.902 -1.205 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.825 5.233 0.002 1.00 0.00 C ATOM 0 H ILE A 16 -10.128 2.758 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.731 4.980 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.796 6.065 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.038 3.618 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.682 3.992 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.085 6.512 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.120 6.529 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.133 5.120 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.187 4.578 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.225 6.037 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.601 5.657 0.639 1.00 0.00 H new ATOM 265 N HIS A 17 -8.508 4.937 -4.982 1.00 0.00 N ATOM 266 CA HIS A 17 -7.430 4.711 -5.925 1.00 0.00 C ATOM 267 C HIS A 17 -6.107 5.154 -5.324 1.00 0.00 C ATOM 268 O HIS A 17 -5.780 6.341 -5.323 1.00 0.00 O ATOM 269 CB HIS A 17 -7.686 5.443 -7.247 1.00 0.00 C ATOM 270 CG HIS A 17 -8.703 4.771 -8.123 1.00 0.00 C ATOM 271 ND1 HIS A 17 -9.606 5.461 -8.900 1.00 0.00 N ATOM 272 CD2 HIS A 17 -8.934 3.458 -8.358 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.351 4.603 -9.573 1.00 0.00 C ATOM 274 NE2 HIS A 17 -9.964 3.380 -9.263 1.00 0.00 N ATOM 0 H HIS A 17 -8.955 5.851 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.384 3.643 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.020 6.458 -7.031 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.747 5.526 -7.794 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.406 2.626 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.143 4.859 -10.261 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.364 2.518 -9.634 1.00 0.00 H new ATOM 283 N VAL A 18 -5.366 4.200 -4.782 1.00 0.00 N ATOM 284 CA VAL A 18 -4.051 4.482 -4.233 1.00 0.00 C ATOM 285 C VAL A 18 -3.001 4.380 -5.320 1.00 0.00 C ATOM 286 O VAL A 18 -3.101 3.546 -6.221 1.00 0.00 O ATOM 287 CB VAL A 18 -3.679 3.533 -3.080 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.609 3.740 -1.900 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.705 2.087 -3.552 1.00 0.00 C ATOM 0 H VAL A 18 -5.654 3.224 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.085 5.495 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.665 3.763 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.331 3.061 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.530 4.769 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.636 3.539 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.440 1.429 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.705 1.838 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.989 1.956 -4.363 1.00 0.00 H new ATOM 299 N THR A 19 -1.997 5.219 -5.227 1.00 0.00 N ATOM 300 CA THR A 19 -0.978 5.293 -6.247 1.00 0.00 C ATOM 301 C THR A 19 0.304 4.629 -5.769 1.00 0.00 C ATOM 302 O THR A 19 0.945 5.104 -4.838 1.00 0.00 O ATOM 303 CB THR A 19 -0.703 6.756 -6.609 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.926 7.389 -7.013 1.00 0.00 O ATOM 305 CG2 THR A 19 0.327 6.860 -7.717 1.00 0.00 C ATOM 0 H THR A 19 -1.863 5.865 -4.449 1.00 0.00 H new ATOM 0 HA THR A 19 -1.335 4.766 -7.132 1.00 0.00 H new ATOM 0 HB THR A 19 -0.303 7.261 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.749 8.325 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.502 7.910 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.260 6.401 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.040 6.345 -8.605 1.00 0.00 H new ATOM 313 N VAL A 20 0.665 3.528 -6.398 1.00 0.00 N ATOM 314 CA VAL A 20 1.839 2.780 -5.994 1.00 0.00 C ATOM 315 C VAL A 20 3.066 3.223 -6.784 1.00 0.00 C ATOM 316 O VAL A 20 3.117 3.089 -8.010 1.00 0.00 O ATOM 317 CB VAL A 20 1.623 1.262 -6.167 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.838 0.489 -5.687 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.378 0.814 -5.421 1.00 0.00 C ATOM 0 H VAL A 20 0.162 3.131 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 20 2.008 2.986 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 20 1.484 1.055 -7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.665 -0.579 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.712 0.788 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.011 0.702 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.241 -0.259 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.490 1.037 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.491 1.342 -5.813 1.00 0.00 H new ATOM 329 N LYS A 21 4.038 3.766 -6.068 1.00 0.00 N ATOM 330 CA LYS A 21 5.286 4.214 -6.660 1.00 0.00 C ATOM 331 C LYS A 21 6.361 3.141 -6.527 1.00 0.00 C ATOM 332 O LYS A 21 6.912 2.934 -5.446 1.00 0.00 O ATOM 333 CB LYS A 21 5.767 5.499 -5.977 1.00 0.00 C ATOM 334 CG LYS A 21 5.170 6.781 -6.536 1.00 0.00 C ATOM 335 CD LYS A 21 5.697 7.076 -7.931 1.00 0.00 C ATOM 336 CE LYS A 21 5.703 8.572 -8.226 1.00 0.00 C ATOM 337 NZ LYS A 21 4.337 9.158 -8.231 1.00 0.00 N ATOM 0 H LYS A 21 3.983 3.908 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 21 5.107 4.409 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.532 5.439 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.852 5.554 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.084 6.695 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.406 7.613 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.708 6.682 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.081 6.562 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.311 9.083 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.173 8.746 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.402 10.189 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.788 8.751 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.864 8.944 -7.330 1.00 0.00 H new ATOM 351 N PHE A 22 6.640 2.451 -7.621 1.00 0.00 N ATOM 352 CA PHE A 22 7.727 1.483 -7.656 1.00 0.00 C ATOM 353 C PHE A 22 8.969 2.123 -8.264 1.00 0.00 C ATOM 354 O PHE A 22 8.863 3.111 -8.990 1.00 0.00 O ATOM 355 CB PHE A 22 7.325 0.249 -8.473 1.00 0.00 C ATOM 356 CG PHE A 22 6.942 -0.938 -7.635 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.648 -1.093 -7.177 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.885 -1.899 -7.305 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.298 -2.185 -6.409 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.541 -2.994 -6.538 1.00 0.00 C ATOM 361 CZ PHE A 22 6.247 -3.137 -6.087 1.00 0.00 C ATOM 0 H PHE A 22 6.128 2.543 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 22 7.945 1.168 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.487 0.511 -9.119 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.154 -0.030 -9.123 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.902 -0.352 -7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.902 -1.790 -7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.282 -2.296 -6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.285 -3.737 -6.292 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.975 -3.990 -5.484 1.00 0.00 H new ATOM 371 N PRO A 23 10.160 1.576 -7.974 1.00 0.00 N ATOM 372 CA PRO A 23 11.421 2.028 -8.584 1.00 0.00 C ATOM 373 C PRO A 23 11.510 1.641 -10.062 1.00 0.00 C ATOM 374 O PRO A 23 12.544 1.166 -10.536 1.00 0.00 O ATOM 375 CB PRO A 23 12.504 1.293 -7.776 1.00 0.00 C ATOM 376 CG PRO A 23 11.805 0.734 -6.583 1.00 0.00 C ATOM 377 CD PRO A 23 10.388 0.499 -7.006 1.00 0.00 C ATOM 0 HA PRO A 23 11.520 3.113 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.964 0.501 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.302 1.974 -7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.273 -0.194 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.851 1.427 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.257 -0.485 -7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.698 0.558 -6.164 1.00 0.00 H new ATOM 385 N SER A 24 10.420 1.864 -10.783 1.00 0.00 N ATOM 386 CA SER A 24 10.327 1.499 -12.182 1.00 0.00 C ATOM 387 C SER A 24 9.117 2.187 -12.818 1.00 0.00 C ATOM 388 O SER A 24 9.271 3.081 -13.650 1.00 0.00 O ATOM 389 CB SER A 24 10.222 -0.026 -12.318 1.00 0.00 C ATOM 390 OG SER A 24 10.308 -0.437 -13.672 1.00 0.00 O ATOM 0 H SER A 24 9.578 2.303 -10.411 1.00 0.00 H new ATOM 0 HA SER A 24 11.225 1.829 -12.703 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.018 -0.499 -11.743 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.277 -0.365 -11.894 1.00 0.00 H new ATOM 0 HG SER A 24 10.239 -1.413 -13.723 1.00 0.00 H new ATOM 396 N LYS A 25 7.919 1.791 -12.400 1.00 0.00 N ATOM 397 CA LYS A 25 6.694 2.369 -12.937 1.00 0.00 C ATOM 398 C LYS A 25 5.737 2.747 -11.814 1.00 0.00 C ATOM 399 O LYS A 25 5.992 2.471 -10.639 1.00 0.00 O ATOM 400 CB LYS A 25 6.002 1.393 -13.891 1.00 0.00 C ATOM 401 CG LYS A 25 5.612 0.081 -13.237 1.00 0.00 C ATOM 402 CD LYS A 25 4.727 -0.755 -14.141 1.00 0.00 C ATOM 403 CE LYS A 25 4.462 -2.120 -13.532 1.00 0.00 C ATOM 404 NZ LYS A 25 5.634 -3.026 -13.666 1.00 0.00 N ATOM 0 H LYS A 25 7.771 1.072 -11.691 1.00 0.00 H new ATOM 0 HA LYS A 25 6.968 3.268 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.109 1.867 -14.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.665 1.188 -14.732 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.511 -0.482 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.090 0.282 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.782 -0.238 -14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.204 -0.873 -15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.212 -2.004 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.597 -2.572 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.386 -3.825 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.432 -2.503 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.905 -3.385 -12.728 1.00 0.00 H new ATOM 418 N GLN A 26 4.638 3.371 -12.197 1.00 0.00 N ATOM 419 CA GLN A 26 3.614 3.802 -11.261 1.00 0.00 C ATOM 420 C GLN A 26 2.259 3.247 -11.681 1.00 0.00 C ATOM 421 O GLN A 26 1.852 3.393 -12.833 1.00 0.00 O ATOM 422 CB GLN A 26 3.565 5.330 -11.216 1.00 0.00 C ATOM 423 CG GLN A 26 2.339 5.885 -10.512 1.00 0.00 C ATOM 424 CD GLN A 26 2.255 7.394 -10.593 1.00 0.00 C ATOM 425 OE1 GLN A 26 3.271 8.089 -10.606 1.00 0.00 O ATOM 426 NE2 GLN A 26 1.042 7.912 -10.667 1.00 0.00 N ATOM 0 H GLN A 26 4.429 3.594 -13.170 1.00 0.00 H new ATOM 0 HA GLN A 26 3.856 3.425 -10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.459 5.698 -10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.592 5.715 -12.235 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.443 5.451 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.357 5.581 -9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.225 7.301 -10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.922 8.922 -10.738 1.00 0.00 H new ATOM 435 N PHE A 27 1.562 2.609 -10.754 1.00 0.00 N ATOM 436 CA PHE A 27 0.250 2.049 -11.049 1.00 0.00 C ATOM 437 C PHE A 27 -0.715 2.301 -9.901 1.00 0.00 C ATOM 438 O PHE A 27 -0.299 2.508 -8.760 1.00 0.00 O ATOM 439 CB PHE A 27 0.349 0.548 -11.352 1.00 0.00 C ATOM 440 CG PHE A 27 0.931 -0.279 -10.238 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.299 -0.484 -10.151 1.00 0.00 C ATOM 442 CD2 PHE A 27 0.109 -0.863 -9.289 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.837 -1.251 -9.136 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.640 -1.631 -8.270 1.00 0.00 C ATOM 445 CZ PHE A 27 2.006 -1.826 -8.194 1.00 0.00 C ATOM 0 H PHE A 27 1.880 2.466 -9.795 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.136 2.549 -11.937 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.647 0.171 -11.584 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.958 0.410 -12.245 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.953 -0.038 -10.886 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.960 -0.717 -9.346 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.905 -1.401 -9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.012 -2.078 -7.534 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.423 -2.427 -7.399 1.00 0.00 H new ATOM 455 N THR A 28 -1.999 2.292 -10.211 1.00 0.00 N ATOM 456 CA THR A 28 -3.031 2.563 -9.227 1.00 0.00 C ATOM 457 C THR A 28 -3.741 1.270 -8.822 1.00 0.00 C ATOM 458 O THR A 28 -3.983 0.398 -9.658 1.00 0.00 O ATOM 459 CB THR A 28 -4.059 3.554 -9.796 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.407 4.446 -10.713 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.715 4.363 -8.691 1.00 0.00 C ATOM 0 H THR A 28 -2.354 2.098 -11.147 1.00 0.00 H new ATOM 0 HA THR A 28 -2.557 2.998 -8.347 1.00 0.00 H new ATOM 0 HB THR A 28 -4.833 2.984 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.062 5.077 -11.077 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.437 5.055 -9.126 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.226 3.691 -8.002 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.954 4.926 -8.151 1.00 0.00 H new ATOM 469 N VAL A 29 -4.059 1.145 -7.541 1.00 0.00 N ATOM 470 CA VAL A 29 -4.723 -0.051 -7.028 1.00 0.00 C ATOM 471 C VAL A 29 -5.987 0.325 -6.255 1.00 0.00 C ATOM 472 O VAL A 29 -6.066 1.415 -5.681 1.00 0.00 O ATOM 473 CB VAL A 29 -3.782 -0.864 -6.102 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.410 -2.191 -5.694 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.439 -1.105 -6.771 1.00 0.00 C ATOM 0 H VAL A 29 -3.869 1.856 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.991 -0.668 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.624 -0.272 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.723 -2.735 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.342 -2.004 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.615 -2.785 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.797 -1.677 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.588 -1.663 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.968 -0.148 -6.996 1.00 0.00 H new ATOM 485 N GLU A 30 -6.979 -0.562 -6.263 1.00 0.00 N ATOM 486 CA GLU A 30 -8.195 -0.351 -5.487 1.00 0.00 C ATOM 487 C GLU A 30 -8.096 -0.987 -4.113 1.00 0.00 C ATOM 488 O GLU A 30 -8.071 -2.213 -3.983 1.00 0.00 O ATOM 489 CB GLU A 30 -9.419 -0.921 -6.191 1.00 0.00 C ATOM 490 CG GLU A 30 -9.982 -0.021 -7.267 1.00 0.00 C ATOM 491 CD GLU A 30 -11.297 -0.539 -7.802 1.00 0.00 C ATOM 492 OE1 GLU A 30 -12.337 -0.325 -7.143 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.299 -1.167 -8.881 1.00 0.00 O ATOM 0 H GLU A 30 -6.964 -1.431 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.305 0.729 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.156 -1.881 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.195 -1.114 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.123 0.982 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.265 0.062 -8.084 1.00 0.00 H new ATOM 500 N VAL A 31 -8.050 -0.149 -3.097 1.00 0.00 N ATOM 501 CA VAL A 31 -8.089 -0.603 -1.714 1.00 0.00 C ATOM 502 C VAL A 31 -9.031 0.296 -0.927 1.00 0.00 C ATOM 503 O VAL A 31 -9.168 1.473 -1.243 1.00 0.00 O ATOM 504 CB VAL A 31 -6.691 -0.599 -1.050 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.730 -1.499 -1.809 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.141 0.817 -0.952 1.00 0.00 C ATOM 0 H VAL A 31 -7.985 0.863 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.443 -1.634 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.797 -0.992 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.754 -1.480 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.114 -2.519 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.632 -1.144 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.158 0.794 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.056 1.244 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.815 1.429 -0.353 1.00 0.00 H new ATOM 516 N ASP A 32 -9.704 -0.248 0.066 1.00 0.00 N ATOM 517 CA ASP A 32 -10.652 0.542 0.841 1.00 0.00 C ATOM 518 C ASP A 32 -9.914 1.378 1.889 1.00 0.00 C ATOM 519 O ASP A 32 -8.764 1.092 2.222 1.00 0.00 O ATOM 520 CB ASP A 32 -11.685 -0.370 1.512 1.00 0.00 C ATOM 521 CG ASP A 32 -12.807 0.407 2.177 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.647 0.792 3.354 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.842 0.640 1.526 1.00 0.00 O ATOM 0 H ASP A 32 -9.618 -1.222 0.357 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.177 1.218 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.107 -1.044 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.187 -0.990 2.257 1.00 0.00 H new ATOM 528 N ARG A 33 -10.574 2.407 2.407 1.00 0.00 N ATOM 529 CA ARG A 33 -9.982 3.259 3.434 1.00 0.00 C ATOM 530 C ARG A 33 -9.781 2.475 4.727 1.00 0.00 C ATOM 531 O ARG A 33 -8.919 2.807 5.544 1.00 0.00 O ATOM 532 CB ARG A 33 -10.870 4.472 3.709 1.00 0.00 C ATOM 533 CG ARG A 33 -11.039 5.395 2.518 1.00 0.00 C ATOM 534 CD ARG A 33 -11.946 6.566 2.855 1.00 0.00 C ATOM 535 NE ARG A 33 -12.090 7.496 1.734 1.00 0.00 N ATOM 536 CZ ARG A 33 -13.266 7.878 1.231 1.00 0.00 C ATOM 537 NH1 ARG A 33 -14.398 7.404 1.738 1.00 0.00 N ATOM 538 NH2 ARG A 33 -13.310 8.740 0.223 1.00 0.00 N ATOM 0 H ARG A 33 -11.520 2.673 2.133 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.015 3.603 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.852 4.125 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.446 5.039 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.064 5.766 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.456 4.838 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.928 6.191 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.544 7.098 3.717 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.242 7.874 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.372 6.745 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.294 7.699 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.444 9.112 -0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.209 9.031 -0.160 1.00 0.00 H new ATOM 552 N THR A 34 -10.589 1.441 4.898 1.00 0.00 N ATOM 553 CA THR A 34 -10.523 0.596 6.075 1.00 0.00 C ATOM 554 C THR A 34 -9.812 -0.720 5.767 1.00 0.00 C ATOM 555 O THR A 34 -9.911 -1.689 6.525 1.00 0.00 O ATOM 556 CB THR A 34 -11.929 0.331 6.650 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.773 -0.297 5.674 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.565 1.635 7.103 1.00 0.00 C ATOM 0 H THR A 34 -11.306 1.166 4.226 1.00 0.00 H new ATOM 0 HA THR A 34 -9.943 1.128 6.830 1.00 0.00 H new ATOM 0 HB THR A 34 -11.822 -0.338 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.985 0.344 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.557 1.435 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.945 2.094 7.874 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.649 2.313 6.254 1.00 0.00 H new ATOM 566 N GLU A 35 -9.096 -0.751 4.651 1.00 0.00 N ATOM 567 CA GLU A 35 -8.293 -1.908 4.292 1.00 0.00 C ATOM 568 C GLU A 35 -7.033 -1.968 5.165 1.00 0.00 C ATOM 569 O GLU A 35 -6.554 -0.941 5.651 1.00 0.00 O ATOM 570 CB GLU A 35 -7.924 -1.850 2.806 1.00 0.00 C ATOM 571 CG GLU A 35 -7.234 -3.100 2.290 1.00 0.00 C ATOM 572 CD GLU A 35 -8.060 -4.349 2.511 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.129 -4.819 3.666 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.635 -4.872 1.534 1.00 0.00 O ATOM 0 H GLU A 35 -9.056 0.015 3.978 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.874 -2.814 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.830 -1.681 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.273 -0.992 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.031 -2.986 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.271 -3.212 2.788 1.00 0.00 H new ATOM 581 N THR A 36 -6.512 -3.171 5.373 1.00 0.00 N ATOM 582 CA THR A 36 -5.337 -3.366 6.216 1.00 0.00 C ATOM 583 C THR A 36 -4.044 -3.293 5.406 1.00 0.00 C ATOM 584 O THR A 36 -4.055 -3.466 4.186 1.00 0.00 O ATOM 585 CB THR A 36 -5.397 -4.724 6.940 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.923 -5.727 6.056 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.251 -4.635 8.195 1.00 0.00 C ATOM 0 H THR A 36 -6.886 -4.030 4.968 1.00 0.00 H new ATOM 0 HA THR A 36 -5.340 -2.560 6.950 1.00 0.00 H new ATOM 0 HB THR A 36 -4.385 -5.000 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.957 -6.588 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.277 -5.607 8.687 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.825 -3.896 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.264 -4.338 7.925 1.00 0.00 H new ATOM 595 N VAL A 37 -2.924 -3.062 6.092 1.00 0.00 N ATOM 596 CA VAL A 37 -1.629 -2.971 5.432 1.00 0.00 C ATOM 597 C VAL A 37 -1.241 -4.324 4.839 1.00 0.00 C ATOM 598 O VAL A 37 -0.654 -4.400 3.757 1.00 0.00 O ATOM 599 CB VAL A 37 -0.533 -2.501 6.408 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.819 -2.399 5.715 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.915 -1.166 7.023 1.00 0.00 C ATOM 0 H VAL A 37 -2.891 -2.935 7.104 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.716 -2.235 4.633 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.446 -3.244 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.570 -2.065 6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.101 -3.376 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.755 -1.683 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.133 -0.845 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.033 -0.423 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.854 -1.271 7.566 1.00 0.00 H new ATOM 611 N SER A 38 -1.596 -5.388 5.552 1.00 0.00 N ATOM 612 CA SER A 38 -1.342 -6.747 5.092 1.00 0.00 C ATOM 613 C SER A 38 -2.019 -6.981 3.745 1.00 0.00 C ATOM 614 O SER A 38 -1.449 -7.598 2.840 1.00 0.00 O ATOM 615 CB SER A 38 -1.868 -7.754 6.121 1.00 0.00 C ATOM 616 OG SER A 38 -1.172 -8.988 6.036 1.00 0.00 O ATOM 0 H SER A 38 -2.064 -5.333 6.457 1.00 0.00 H new ATOM 0 HA SER A 38 -0.267 -6.884 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.761 -7.342 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.932 -7.922 5.957 1.00 0.00 H new ATOM 0 HG SER A 38 -0.471 -9.016 6.720 1.00 0.00 H new ATOM 622 N SER A 39 -3.226 -6.450 3.604 1.00 0.00 N ATOM 623 CA SER A 39 -4.006 -6.656 2.405 1.00 0.00 C ATOM 624 C SER A 39 -3.523 -5.718 1.311 1.00 0.00 C ATOM 625 O SER A 39 -3.648 -6.015 0.124 1.00 0.00 O ATOM 626 CB SER A 39 -5.489 -6.436 2.700 1.00 0.00 C ATOM 627 OG SER A 39 -5.920 -7.258 3.774 1.00 0.00 O ATOM 0 H SER A 39 -3.682 -5.873 4.311 1.00 0.00 H new ATOM 0 HA SER A 39 -3.878 -7.682 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.663 -5.389 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.078 -6.656 1.809 1.00 0.00 H new ATOM 0 HG SER A 39 -5.838 -6.765 4.617 1.00 0.00 H new ATOM 633 N LEU A 40 -2.966 -4.587 1.727 1.00 0.00 N ATOM 634 CA LEU A 40 -2.383 -3.630 0.803 1.00 0.00 C ATOM 635 C LEU A 40 -1.217 -4.269 0.061 1.00 0.00 C ATOM 636 O LEU A 40 -1.130 -4.206 -1.165 1.00 0.00 O ATOM 637 CB LEU A 40 -1.893 -2.395 1.560 1.00 0.00 C ATOM 638 CG LEU A 40 -1.526 -1.210 0.674 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.765 -0.704 -0.033 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.883 -0.101 1.492 1.00 0.00 C ATOM 0 H LEU A 40 -2.907 -4.311 2.707 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.146 -3.328 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.669 -2.082 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.022 -2.671 2.154 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.800 -1.537 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.502 0.143 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.184 -1.501 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.503 -0.390 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.630 0.734 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.580 0.237 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.023 -0.478 1.967 1.00 0.00 H new ATOM 652 N LYS A 41 -0.330 -4.894 0.828 1.00 0.00 N ATOM 653 CA LYS A 41 0.818 -5.601 0.271 1.00 0.00 C ATOM 654 C LYS A 41 0.360 -6.709 -0.672 1.00 0.00 C ATOM 655 O LYS A 41 0.965 -6.935 -1.721 1.00 0.00 O ATOM 656 CB LYS A 41 1.656 -6.201 1.398 1.00 0.00 C ATOM 657 CG LYS A 41 2.308 -5.171 2.306 1.00 0.00 C ATOM 658 CD LYS A 41 2.825 -5.817 3.581 1.00 0.00 C ATOM 659 CE LYS A 41 3.476 -4.810 4.515 1.00 0.00 C ATOM 660 NZ LYS A 41 3.882 -5.446 5.796 1.00 0.00 N ATOM 0 H LYS A 41 -0.385 -4.925 1.846 1.00 0.00 H new ATOM 0 HA LYS A 41 1.422 -4.889 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.022 -6.851 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.433 -6.829 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.131 -4.687 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.587 -4.393 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.000 -6.308 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.547 -6.592 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.349 -4.373 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.781 -3.994 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.323 -4.734 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.044 -5.841 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.563 -6.208 5.605 1.00 0.00 H new ATOM 674 N ASP A 42 -0.712 -7.393 -0.282 1.00 0.00 N ATOM 675 CA ASP A 42 -1.295 -8.453 -1.101 1.00 0.00 C ATOM 676 C ASP A 42 -1.694 -7.930 -2.474 1.00 0.00 C ATOM 677 O ASP A 42 -1.347 -8.523 -3.493 1.00 0.00 O ATOM 678 CB ASP A 42 -2.514 -9.059 -0.400 1.00 0.00 C ATOM 679 CG ASP A 42 -3.278 -10.024 -1.288 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.772 -11.141 -1.530 1.00 0.00 O ATOM 681 OD2 ASP A 42 -4.394 -9.673 -1.736 1.00 0.00 O ATOM 0 H ASP A 42 -1.197 -7.231 0.601 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.538 -9.226 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.189 -9.580 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.181 -8.258 -0.082 1.00 0.00 H new ATOM 686 N LYS A 43 -2.403 -6.805 -2.490 1.00 0.00 N ATOM 687 CA LYS A 43 -2.864 -6.197 -3.738 1.00 0.00 C ATOM 688 C LYS A 43 -1.687 -5.932 -4.670 1.00 0.00 C ATOM 689 O LYS A 43 -1.709 -6.293 -5.848 1.00 0.00 O ATOM 690 CB LYS A 43 -3.573 -4.868 -3.461 1.00 0.00 C ATOM 691 CG LYS A 43 -4.740 -4.952 -2.490 1.00 0.00 C ATOM 692 CD LYS A 43 -5.911 -5.736 -3.059 1.00 0.00 C ATOM 693 CE LYS A 43 -7.109 -5.677 -2.123 1.00 0.00 C ATOM 694 NZ LYS A 43 -8.248 -6.493 -2.619 1.00 0.00 N ATOM 0 H LYS A 43 -2.673 -6.293 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.558 -6.893 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.844 -4.159 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.935 -4.463 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.406 -5.422 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.070 -3.945 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.185 -5.332 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.617 -6.774 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.814 -6.030 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.429 -4.641 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.042 -6.424 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.548 -6.141 -3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.952 -7.487 -2.703 1.00 0.00 H new ATOM 708 N ILE A 44 -0.656 -5.310 -4.119 1.00 0.00 N ATOM 709 CA ILE A 44 0.519 -4.933 -4.886 1.00 0.00 C ATOM 710 C ILE A 44 1.254 -6.167 -5.414 1.00 0.00 C ATOM 711 O ILE A 44 1.737 -6.172 -6.546 1.00 0.00 O ATOM 712 CB ILE A 44 1.476 -4.074 -4.034 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.747 -2.824 -3.523 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.707 -3.684 -4.839 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.587 -1.957 -2.609 1.00 0.00 C ATOM 0 H ILE A 44 -0.611 -5.054 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 44 0.181 -4.343 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 44 1.804 -4.663 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.424 -2.229 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.153 -3.132 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.369 -3.079 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.232 -4.584 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.403 -3.110 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.004 -1.094 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.889 -2.535 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.474 -1.618 -3.144 1.00 0.00 H new ATOM 727 N HIS A 45 1.314 -7.215 -4.600 1.00 0.00 N ATOM 728 CA HIS A 45 1.993 -8.450 -4.986 1.00 0.00 C ATOM 729 C HIS A 45 1.296 -9.128 -6.169 1.00 0.00 C ATOM 730 O HIS A 45 1.931 -9.828 -6.961 1.00 0.00 O ATOM 731 CB HIS A 45 2.072 -9.411 -3.800 1.00 0.00 C ATOM 732 CG HIS A 45 2.826 -10.667 -4.105 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.203 -10.715 -4.218 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.386 -11.923 -4.343 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.572 -11.949 -4.512 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.491 -12.698 -4.591 1.00 0.00 N ATOM 0 H HIS A 45 0.901 -7.236 -3.668 1.00 0.00 H new ATOM 0 HA HIS A 45 3.004 -8.187 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.549 -8.904 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.062 -9.670 -3.483 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.834 -9.923 -4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.358 -12.254 -4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.587 -12.286 -4.662 1.00 0.00 H new ATOM 745 N ILE A 46 -0.010 -8.944 -6.270 1.00 0.00 N ATOM 746 CA ILE A 46 -0.778 -9.518 -7.368 1.00 0.00 C ATOM 747 C ILE A 46 -0.450 -8.801 -8.678 1.00 0.00 C ATOM 748 O ILE A 46 -0.477 -9.398 -9.755 1.00 0.00 O ATOM 749 CB ILE A 46 -2.291 -9.448 -7.072 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.587 -10.226 -5.788 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.101 -10.007 -8.235 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.988 -10.035 -5.262 1.00 0.00 C ATOM 0 H ILE A 46 -0.563 -8.402 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.502 -10.567 -7.470 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.580 -8.405 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.421 -11.287 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.877 -9.921 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.164 -9.946 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.894 -9.427 -9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.826 -11.048 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.117 -10.619 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.154 -8.980 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.706 -10.368 -6.011 1.00 0.00 H new ATOM 764 N VAL A 47 -0.122 -7.521 -8.573 1.00 0.00 N ATOM 765 CA VAL A 47 0.346 -6.750 -9.718 1.00 0.00 C ATOM 766 C VAL A 47 1.805 -7.064 -10.020 1.00 0.00 C ATOM 767 O VAL A 47 2.157 -7.477 -11.129 1.00 0.00 O ATOM 768 CB VAL A 47 0.210 -5.228 -9.470 1.00 0.00 C ATOM 769 CG1 VAL A 47 1.102 -4.431 -10.424 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.242 -4.797 -9.602 1.00 0.00 C ATOM 0 H VAL A 47 -0.171 -6.992 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.278 -7.032 -10.567 1.00 0.00 H new ATOM 0 HB VAL A 47 0.542 -5.019 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.985 -3.365 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.143 -4.716 -10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.814 -4.643 -11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.321 -3.724 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.600 -5.026 -10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.848 -5.331 -8.870 1.00 0.00 H new ATOM 780 N GLU A 48 2.644 -6.873 -9.021 1.00 0.00 N ATOM 781 CA GLU A 48 4.075 -6.956 -9.206 1.00 0.00 C ATOM 782 C GLU A 48 4.632 -8.137 -8.423 1.00 0.00 C ATOM 783 O GLU A 48 4.308 -8.326 -7.251 1.00 0.00 O ATOM 784 CB GLU A 48 4.705 -5.639 -8.758 1.00 0.00 C ATOM 785 CG GLU A 48 6.070 -5.370 -9.357 1.00 0.00 C ATOM 786 CD GLU A 48 6.098 -5.533 -10.863 1.00 0.00 C ATOM 787 OE1 GLU A 48 5.690 -4.597 -11.574 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.535 -6.602 -11.341 1.00 0.00 O ATOM 0 H GLU A 48 2.354 -6.658 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 48 4.313 -7.118 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.036 -4.820 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.791 -5.641 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.380 -4.357 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.797 -6.048 -8.910 1.00 0.00 H new ATOM 795 N ASN A 49 5.482 -8.924 -9.072 1.00 0.00 N ATOM 796 CA ASN A 49 5.956 -10.187 -8.501 1.00 0.00 C ATOM 797 C ASN A 49 6.996 -9.977 -7.405 1.00 0.00 C ATOM 798 O ASN A 49 7.616 -10.938 -6.948 1.00 0.00 O ATOM 799 CB ASN A 49 6.536 -11.095 -9.589 1.00 0.00 C ATOM 800 CG ASN A 49 5.470 -11.779 -10.429 1.00 0.00 C ATOM 801 OD1 ASN A 49 5.652 -12.911 -10.873 1.00 0.00 O ATOM 802 ND2 ASN A 49 4.356 -11.103 -10.658 1.00 0.00 N ATOM 0 H ASN A 49 5.860 -8.713 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 49 5.087 -10.667 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.180 -10.504 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.165 -11.854 -9.123 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.613 -11.519 -11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.240 -10.166 -10.273 1.00 0.00 H new ATOM 809 N THR A 50 7.190 -8.736 -6.988 1.00 0.00 N ATOM 810 CA THR A 50 8.078 -8.438 -5.886 1.00 0.00 C ATOM 811 C THR A 50 7.526 -9.037 -4.595 1.00 0.00 C ATOM 812 O THR A 50 6.371 -8.796 -4.230 1.00 0.00 O ATOM 813 CB THR A 50 8.261 -6.919 -5.714 1.00 0.00 C ATOM 814 OG1 THR A 50 8.550 -6.318 -6.983 1.00 0.00 O ATOM 815 CG2 THR A 50 9.394 -6.617 -4.742 1.00 0.00 C ATOM 0 H THR A 50 6.740 -7.919 -7.401 1.00 0.00 H new ATOM 0 HA THR A 50 9.050 -8.878 -6.108 1.00 0.00 H new ATOM 0 HB THR A 50 7.336 -6.506 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.109 -5.524 -6.849 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.505 -5.538 -4.636 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.166 -7.055 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.323 -7.041 -5.123 1.00 0.00 H new ATOM 823 N PRO A 51 8.326 -9.875 -3.926 1.00 0.00 N ATOM 824 CA PRO A 51 7.967 -10.450 -2.632 1.00 0.00 C ATOM 825 C PRO A 51 7.576 -9.383 -1.619 1.00 0.00 C ATOM 826 O PRO A 51 8.234 -8.346 -1.503 1.00 0.00 O ATOM 827 CB PRO A 51 9.243 -11.164 -2.185 1.00 0.00 C ATOM 828 CG PRO A 51 9.990 -11.447 -3.442 1.00 0.00 C ATOM 829 CD PRO A 51 9.638 -10.342 -4.401 1.00 0.00 C ATOM 0 HA PRO A 51 7.102 -11.109 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.829 -10.539 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.012 -12.084 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.064 -11.475 -3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.711 -12.419 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.379 -9.543 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.587 -10.704 -5.428 1.00 0.00 H new ATOM 837 N ILE A 52 6.508 -9.656 -0.886 1.00 0.00 N ATOM 838 CA ILE A 52 5.970 -8.723 0.095 1.00 0.00 C ATOM 839 C ILE A 52 6.994 -8.393 1.185 1.00 0.00 C ATOM 840 O ILE A 52 7.062 -7.259 1.661 1.00 0.00 O ATOM 841 CB ILE A 52 4.673 -9.291 0.715 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.562 -9.290 -0.339 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.255 -8.498 1.943 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.251 -9.883 0.137 1.00 0.00 C ATOM 0 H ILE A 52 5.988 -10.531 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 52 5.736 -7.792 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 52 4.859 -10.315 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.387 -8.265 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.904 -9.847 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.340 -8.922 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.046 -8.543 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.079 -7.459 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.519 -9.843 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.407 -10.920 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.882 -9.313 0.990 1.00 0.00 H new ATOM 856 N LYS A 53 7.802 -9.377 1.559 1.00 0.00 N ATOM 857 CA LYS A 53 8.846 -9.172 2.557 1.00 0.00 C ATOM 858 C LYS A 53 9.947 -8.248 2.035 1.00 0.00 C ATOM 859 O LYS A 53 10.580 -7.524 2.805 1.00 0.00 O ATOM 860 CB LYS A 53 9.447 -10.511 2.966 1.00 0.00 C ATOM 861 CG LYS A 53 8.443 -11.443 3.620 1.00 0.00 C ATOM 862 CD LYS A 53 9.081 -12.765 3.988 1.00 0.00 C ATOM 863 CE LYS A 53 9.555 -13.521 2.758 1.00 0.00 C ATOM 864 NZ LYS A 53 10.213 -14.807 3.110 1.00 0.00 N ATOM 0 H LYS A 53 7.755 -10.325 1.187 1.00 0.00 H new ATOM 0 HA LYS A 53 8.389 -8.696 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.865 -10.998 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.273 -10.336 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.035 -10.972 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.608 -11.616 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.925 -12.589 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.364 -13.375 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.705 -13.716 2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.253 -12.899 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.520 -15.289 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.039 -14.620 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.540 -15.412 3.622 1.00 0.00 H new ATOM 878 N ARG A 54 10.162 -8.267 0.724 1.00 0.00 N ATOM 879 CA ARG A 54 11.211 -7.459 0.111 1.00 0.00 C ATOM 880 C ARG A 54 10.760 -6.018 -0.087 1.00 0.00 C ATOM 881 O ARG A 54 11.530 -5.085 0.127 1.00 0.00 O ATOM 882 CB ARG A 54 11.641 -8.046 -1.234 1.00 0.00 C ATOM 883 CG ARG A 54 12.708 -9.124 -1.127 1.00 0.00 C ATOM 884 CD ARG A 54 13.156 -9.586 -2.504 1.00 0.00 C ATOM 885 NE ARG A 54 14.397 -10.361 -2.453 1.00 0.00 N ATOM 886 CZ ARG A 54 15.324 -10.338 -3.416 1.00 0.00 C ATOM 887 NH1 ARG A 54 15.119 -9.648 -4.530 1.00 0.00 N ATOM 888 NH2 ARG A 54 16.450 -11.023 -3.275 1.00 0.00 N ATOM 0 H ARG A 54 9.625 -8.832 0.066 1.00 0.00 H new ATOM 0 HA ARG A 54 12.061 -7.469 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.766 -8.464 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.015 -7.241 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.564 -8.740 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.318 -9.972 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.370 -10.192 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.298 -8.718 -3.148 1.00 0.00 H new ATOM 0 HE ARG A 54 14.564 -10.951 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.249 -9.130 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.831 -9.635 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.612 -11.570 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.155 -11.003 -4.012 1.00 0.00 H new ATOM 902 N MET A 55 9.516 -5.832 -0.498 1.00 0.00 N ATOM 903 CA MET A 55 9.018 -4.494 -0.777 1.00 0.00 C ATOM 904 C MET A 55 8.382 -3.876 0.464 1.00 0.00 C ATOM 905 O MET A 55 7.398 -4.386 1.001 1.00 0.00 O ATOM 906 CB MET A 55 8.032 -4.508 -1.953 1.00 0.00 C ATOM 907 CG MET A 55 6.806 -5.380 -1.743 1.00 0.00 C ATOM 908 SD MET A 55 5.728 -5.414 -3.189 1.00 0.00 S ATOM 909 CE MET A 55 4.387 -6.436 -2.591 1.00 0.00 C ATOM 0 H MET A 55 8.839 -6.581 -0.645 1.00 0.00 H new ATOM 0 HA MET A 55 9.868 -3.873 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.705 -3.486 -2.148 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.556 -4.851 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.123 -6.396 -1.506 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.245 -5.012 -0.884 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.554 -6.391 -3.293 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.729 -7.467 -2.498 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.060 -6.073 -1.617 1.00 0.00 H new ATOM 919 N GLN A 56 8.966 -2.782 0.923 1.00 0.00 N ATOM 920 CA GLN A 56 8.468 -2.086 2.097 1.00 0.00 C ATOM 921 C GLN A 56 7.670 -0.861 1.675 1.00 0.00 C ATOM 922 O GLN A 56 8.107 -0.084 0.823 1.00 0.00 O ATOM 923 CB GLN A 56 9.625 -1.681 3.012 1.00 0.00 C ATOM 924 CG GLN A 56 9.171 -1.169 4.370 1.00 0.00 C ATOM 925 CD GLN A 56 10.310 -1.002 5.362 1.00 0.00 C ATOM 926 OE1 GLN A 56 10.278 -0.111 6.209 1.00 0.00 O ATOM 927 NE2 GLN A 56 11.304 -1.875 5.292 1.00 0.00 N ATOM 0 H GLN A 56 9.789 -2.355 0.498 1.00 0.00 H new ATOM 0 HA GLN A 56 7.814 -2.759 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.281 -2.539 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.215 -0.908 2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.669 -0.210 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.437 -1.860 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.296 -2.601 4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.077 -1.822 5.955 1.00 0.00 H new ATOM 936 N LEU A 57 6.498 -0.698 2.269 1.00 0.00 N ATOM 937 CA LEU A 57 5.595 0.376 1.886 1.00 0.00 C ATOM 938 C LEU A 57 5.841 1.621 2.729 1.00 0.00 C ATOM 939 O LEU A 57 5.866 1.557 3.960 1.00 0.00 O ATOM 940 CB LEU A 57 4.141 -0.073 2.050 1.00 0.00 C ATOM 941 CG LEU A 57 3.798 -1.432 1.438 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.327 -1.740 1.644 1.00 0.00 C ATOM 943 CD2 LEU A 57 4.146 -1.471 -0.040 1.00 0.00 C ATOM 0 H LEU A 57 6.150 -1.296 3.018 1.00 0.00 H new ATOM 0 HA LEU A 57 5.785 0.619 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.906 -0.104 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.494 0.681 1.603 1.00 0.00 H new ATOM 0 HG LEU A 57 4.394 -2.193 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.093 -2.710 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.106 -1.762 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.723 -0.969 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.891 -2.449 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.583 -0.700 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.214 -1.292 -0.167 1.00 0.00 H new ATOM 955 N TYR A 58 6.024 2.748 2.060 1.00 0.00 N ATOM 956 CA TYR A 58 6.195 4.027 2.734 1.00 0.00 C ATOM 957 C TYR A 58 5.112 5.005 2.298 1.00 0.00 C ATOM 958 O TYR A 58 4.903 5.220 1.107 1.00 0.00 O ATOM 959 CB TYR A 58 7.570 4.628 2.431 1.00 0.00 C ATOM 960 CG TYR A 58 8.730 3.860 3.023 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.222 2.718 2.408 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.338 4.289 4.193 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.286 2.021 2.945 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.403 3.596 4.738 1.00 0.00 C ATOM 965 CZ TYR A 58 10.873 2.464 4.108 1.00 0.00 C ATOM 966 OH TYR A 58 11.932 1.770 4.644 1.00 0.00 O ATOM 0 H TYR A 58 6.058 2.804 1.042 1.00 0.00 H new ATOM 0 HA TYR A 58 6.116 3.850 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.699 4.682 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.597 5.651 2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.765 2.368 1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.974 5.178 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.656 1.133 2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.864 3.940 5.652 1.00 0.00 H new ATOM 0 HH TYR A 58 12.232 2.214 5.465 1.00 0.00 H new ATOM 976 N TYR A 59 4.429 5.592 3.262 1.00 0.00 N ATOM 977 CA TYR A 59 3.406 6.584 2.979 1.00 0.00 C ATOM 978 C TYR A 59 3.798 7.931 3.568 1.00 0.00 C ATOM 979 O TYR A 59 3.879 8.085 4.787 1.00 0.00 O ATOM 980 CB TYR A 59 2.051 6.136 3.535 1.00 0.00 C ATOM 981 CG TYR A 59 0.966 7.186 3.403 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.488 7.566 2.155 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.427 7.804 4.527 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.496 8.529 2.031 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.558 8.767 4.409 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.014 9.127 3.160 1.00 0.00 C ATOM 987 OH TYR A 59 -1.994 10.087 3.042 1.00 0.00 O ATOM 0 H TYR A 59 4.564 5.398 4.254 1.00 0.00 H new ATOM 0 HA TYR A 59 3.318 6.687 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.735 5.231 3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.167 5.875 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.892 7.102 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.784 7.527 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.858 8.812 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.968 9.235 5.292 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.521 10.120 3.868 1.00 0.00 H new ATOM 997 N SER A 60 4.070 8.892 2.688 1.00 0.00 N ATOM 998 CA SER A 60 4.409 10.255 3.095 1.00 0.00 C ATOM 999 C SER A 60 5.667 10.294 3.968 1.00 0.00 C ATOM 1000 O SER A 60 5.890 11.251 4.708 1.00 0.00 O ATOM 1001 CB SER A 60 3.230 10.883 3.842 1.00 0.00 C ATOM 1002 OG SER A 60 2.065 10.902 3.034 1.00 0.00 O ATOM 0 H SER A 60 4.062 8.750 1.678 1.00 0.00 H new ATOM 0 HA SER A 60 4.618 10.829 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.034 10.321 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.485 11.900 4.141 1.00 0.00 H new ATOM 0 HG SER A 60 1.395 10.295 3.412 1.00 0.00 H new ATOM 1008 N GLY A 61 6.494 9.261 3.869 1.00 0.00 N ATOM 1009 CA GLY A 61 7.707 9.202 4.667 1.00 0.00 C ATOM 1010 C GLY A 61 7.574 8.257 5.843 1.00 0.00 C ATOM 1011 O GLY A 61 8.563 7.906 6.487 1.00 0.00 O ATOM 0 H GLY A 61 6.348 8.463 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.538 8.882 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.949 10.200 5.031 1.00 0.00 H new ATOM 1015 N ILE A 62 6.345 7.852 6.123 1.00 0.00 N ATOM 1016 CA ILE A 62 6.066 6.927 7.210 1.00 0.00 C ATOM 1017 C ILE A 62 6.092 5.496 6.695 1.00 0.00 C ATOM 1018 O ILE A 62 5.397 5.168 5.733 1.00 0.00 O ATOM 1019 CB ILE A 62 4.682 7.203 7.837 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.580 8.660 8.289 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.427 6.259 9.006 1.00 0.00 C ATOM 1022 CD1 ILE A 62 3.198 9.053 8.766 1.00 0.00 C ATOM 0 H ILE A 62 5.518 8.153 5.607 1.00 0.00 H new ATOM 0 HA ILE A 62 6.834 7.068 7.970 1.00 0.00 H new ATOM 0 HB ILE A 62 3.918 7.024 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.295 8.833 9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.868 9.309 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.447 6.468 9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.456 5.228 8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.195 6.405 9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.202 10.100 9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.481 8.913 7.957 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.915 8.430 9.614 1.00 0.00 H new ATOM 1034 N GLU A 63 6.891 4.650 7.319 1.00 0.00 N ATOM 1035 CA GLU A 63 6.961 3.259 6.910 1.00 0.00 C ATOM 1036 C GLU A 63 5.800 2.485 7.518 1.00 0.00 C ATOM 1037 O GLU A 63 5.481 2.638 8.699 1.00 0.00 O ATOM 1038 CB GLU A 63 8.302 2.627 7.302 1.00 0.00 C ATOM 1039 CG GLU A 63 8.566 2.606 8.796 1.00 0.00 C ATOM 1040 CD GLU A 63 9.922 2.027 9.143 1.00 0.00 C ATOM 1041 OE1 GLU A 63 10.909 2.791 9.174 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.006 0.810 9.409 1.00 0.00 O ATOM 0 H GLU A 63 7.495 4.898 8.103 1.00 0.00 H new ATOM 0 HA GLU A 63 6.887 3.215 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.334 1.605 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.106 3.174 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.498 3.621 9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.789 2.022 9.290 1.00 0.00 H new ATOM 1049 N LEU A 64 5.154 1.674 6.703 1.00 0.00 N ATOM 1050 CA LEU A 64 4.010 0.906 7.156 1.00 0.00 C ATOM 1051 C LEU A 64 4.482 -0.362 7.852 1.00 0.00 C ATOM 1052 O LEU A 64 4.352 -1.468 7.326 1.00 0.00 O ATOM 1053 CB LEU A 64 3.083 0.575 5.983 1.00 0.00 C ATOM 1054 CG LEU A 64 2.629 1.782 5.154 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.648 1.355 4.076 1.00 0.00 C ATOM 1056 CD2 LEU A 64 2.012 2.851 6.044 1.00 0.00 C ATOM 0 H LEU A 64 5.401 1.530 5.724 1.00 0.00 H new ATOM 0 HA LEU A 64 3.443 1.504 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.593 -0.128 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.200 0.066 6.370 1.00 0.00 H new ATOM 0 HG LEU A 64 3.508 2.208 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.339 2.227 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.126 0.633 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.774 0.898 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.698 3.697 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.147 2.438 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.748 3.185 6.775 1.00 0.00 H new ATOM 1068 N ALA A 65 5.064 -0.178 9.030 1.00 0.00 N ATOM 1069 CA ALA A 65 5.618 -1.280 9.798 1.00 0.00 C ATOM 1070 C ALA A 65 4.519 -2.143 10.401 1.00 0.00 C ATOM 1071 O ALA A 65 4.661 -3.361 10.503 1.00 0.00 O ATOM 1072 CB ALA A 65 6.537 -0.752 10.890 1.00 0.00 C ATOM 0 H ALA A 65 5.164 0.734 9.476 1.00 0.00 H new ATOM 0 HA ALA A 65 6.198 -1.905 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.945 -1.588 11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.353 -0.188 10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.972 -0.101 11.558 1.00 0.00 H new ATOM 1078 N ASP A 66 3.423 -1.510 10.803 1.00 0.00 N ATOM 1079 CA ASP A 66 2.306 -2.241 11.384 1.00 0.00 C ATOM 1080 C ASP A 66 1.451 -2.859 10.289 1.00 0.00 C ATOM 1081 O ASP A 66 0.631 -2.189 9.663 1.00 0.00 O ATOM 1082 CB ASP A 66 1.455 -1.343 12.288 1.00 0.00 C ATOM 1083 CG ASP A 66 2.168 -0.950 13.568 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.686 -1.848 14.266 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.208 0.256 13.890 1.00 0.00 O ATOM 0 H ASP A 66 3.285 -0.501 10.738 1.00 0.00 H new ATOM 0 HA ASP A 66 2.716 -3.039 12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.179 -0.442 11.740 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.529 -1.861 12.538 1.00 0.00 H new ATOM 1090 N ASP A 67 1.663 -4.144 10.068 1.00 0.00 N ATOM 1091 CA ASP A 67 0.977 -4.892 9.019 1.00 0.00 C ATOM 1092 C ASP A 67 -0.491 -5.072 9.366 1.00 0.00 C ATOM 1093 O ASP A 67 -1.357 -5.116 8.491 1.00 0.00 O ATOM 1094 CB ASP A 67 1.647 -6.257 8.883 1.00 0.00 C ATOM 1095 CG ASP A 67 1.240 -7.011 7.640 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.551 -6.541 6.528 1.00 0.00 O ATOM 1097 OD2 ASP A 67 0.638 -8.096 7.774 1.00 0.00 O ATOM 0 H ASP A 67 2.319 -4.705 10.612 1.00 0.00 H new ATOM 0 HA ASP A 67 1.040 -4.344 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.729 -6.122 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.405 -6.860 9.758 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.756 -5.151 10.658 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.097 -5.403 11.160 1.00 0.00 C ATOM 1104 C TYR A 68 -2.935 -4.127 11.200 1.00 0.00 C ATOM 1105 O TYR A 68 -4.140 -4.181 11.448 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.021 -6.013 12.565 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.215 -5.178 13.541 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -1.813 -4.167 14.287 1.00 0.00 C ATOM 1109 CD2 TYR A 68 0.152 -5.386 13.698 1.00 0.00 C ATOM 1110 CE1 TYR A 68 -1.073 -3.391 15.159 1.00 0.00 C ATOM 1111 CE2 TYR A 68 0.894 -4.618 14.570 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.277 -3.621 15.294 1.00 0.00 C ATOM 1113 OH TYR A 68 1.022 -2.840 16.147 1.00 0.00 O ATOM 0 H TYR A 68 -0.051 -5.043 11.387 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.581 -6.102 10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.032 -6.138 12.954 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.580 -7.007 12.498 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.873 -3.986 14.183 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.640 -6.162 13.127 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.551 -2.609 15.731 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.953 -4.797 14.685 1.00 0.00 H new ATOM 0 HH TYR A 68 1.775 -2.447 15.657 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.300 -2.983 10.970 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.992 -1.705 11.085 1.00 0.00 C ATOM 1125 C ARG A 69 -3.804 -1.383 9.847 1.00 0.00 C ATOM 1126 O ARG A 69 -3.679 -2.037 8.808 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.026 -0.553 11.355 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.896 -0.208 12.822 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.486 1.241 13.015 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.359 1.572 14.431 1.00 0.00 N ATOM 1131 CZ ARG A 69 -1.683 2.749 14.967 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -2.205 3.709 14.212 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -1.499 2.961 16.265 1.00 0.00 N ATOM 0 H ARG A 69 -1.317 -2.914 10.705 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.667 -1.811 11.934 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.043 -0.813 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.363 0.329 10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.845 -0.389 13.326 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.158 -0.862 13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.537 1.423 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.224 1.895 12.551 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.996 0.851 15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.360 3.548 13.217 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.451 4.608 14.627 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.110 2.223 16.852 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.747 3.862 16.675 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.630 -0.361 9.980 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.483 0.088 8.900 1.00 0.00 C ATOM 1149 C ASN A 70 -4.807 1.213 8.129 1.00 0.00 C ATOM 1150 O ASN A 70 -3.925 1.892 8.655 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.816 0.581 9.448 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.943 0.272 8.511 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -8.164 0.995 7.549 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.683 -0.781 8.813 1.00 0.00 N ATOM 0 H ASN A 70 -4.727 0.179 10.840 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.660 -0.753 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.007 0.116 10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.766 1.657 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.484 -1.025 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.453 -1.349 9.628 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.236 1.419 6.893 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.636 2.432 6.033 1.00 0.00 C ATOM 1163 C LEU A 71 -5.008 3.844 6.478 1.00 0.00 C ATOM 1164 O LEU A 71 -4.149 4.727 6.542 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.056 2.218 4.578 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.685 0.854 3.990 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.120 0.764 2.537 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.192 0.597 4.121 1.00 0.00 C ATOM 0 H LEU A 71 -5.999 0.898 6.461 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.554 2.327 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.136 2.346 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.600 2.996 3.966 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.211 0.084 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.848 -0.212 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.200 0.895 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.624 1.544 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.952 -0.378 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.641 1.371 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.911 0.613 5.174 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.286 4.055 6.791 1.00 0.00 N ATOM 1181 CA ASN A 72 -6.768 5.377 7.192 1.00 0.00 C ATOM 1182 C ASN A 72 -6.052 5.861 8.449 1.00 0.00 C ATOM 1183 O ASN A 72 -5.894 7.062 8.660 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.292 5.390 7.404 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.747 4.661 8.656 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -8.832 5.246 9.735 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.056 3.383 8.522 1.00 0.00 N ATOM 0 H ASN A 72 -7.004 3.331 6.775 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.541 6.063 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.633 6.424 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.773 4.937 6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.377 2.849 9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.973 2.931 7.611 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.608 4.912 9.267 1.00 0.00 N ATOM 1195 CA GLU A 73 -4.872 5.217 10.491 1.00 0.00 C ATOM 1196 C GLU A 73 -3.607 6.019 10.199 1.00 0.00 C ATOM 1197 O GLU A 73 -3.199 6.860 10.998 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.502 3.923 11.219 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.703 3.145 11.725 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.332 3.758 12.962 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -6.146 4.967 13.197 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -7.020 3.027 13.709 1.00 0.00 O ATOM 0 H GLU A 73 -5.747 3.915 9.102 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.521 5.822 11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.927 3.289 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.854 4.163 12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.451 3.089 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.398 2.123 11.949 1.00 0.00 H new ATOM 1209 N TYR A 74 -2.998 5.762 9.046 1.00 0.00 N ATOM 1210 CA TYR A 74 -1.766 6.442 8.663 1.00 0.00 C ATOM 1211 C TYR A 74 -2.061 7.781 7.996 1.00 0.00 C ATOM 1212 O TYR A 74 -1.157 8.579 7.755 1.00 0.00 O ATOM 1213 CB TYR A 74 -0.943 5.570 7.714 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.469 4.271 8.325 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.613 4.245 9.196 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.095 3.070 8.021 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.058 3.058 9.745 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.658 1.879 8.569 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.419 1.879 9.428 1.00 0.00 C ATOM 1220 OH TYR A 74 0.859 0.699 9.975 1.00 0.00 O ATOM 0 H TYR A 74 -3.338 5.088 8.360 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.194 6.623 9.573 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.542 5.347 6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.076 6.138 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.114 5.168 9.448 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.937 3.066 7.345 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.902 3.054 10.419 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.158 0.953 8.325 1.00 0.00 H new ATOM 0 HH TYR A 74 0.377 -0.050 9.568 1.00 0.00 H new ATOM 1230 N GLY A 75 -3.328 8.025 7.702 1.00 0.00 N ATOM 1231 CA GLY A 75 -3.705 9.251 7.027 1.00 0.00 C ATOM 1232 C GLY A 75 -4.148 9.006 5.600 1.00 0.00 C ATOM 1233 O GLY A 75 -4.511 9.942 4.886 1.00 0.00 O ATOM 0 H GLY A 75 -4.103 7.397 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.512 9.734 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.860 9.940 7.030 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.110 7.747 5.184 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.562 7.368 3.853 1.00 0.00 C ATOM 1239 C ILE A 76 -6.068 7.566 3.741 1.00 0.00 C ATOM 1240 O ILE A 76 -6.826 7.126 4.611 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.205 5.903 3.528 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.685 5.720 3.538 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -4.789 5.496 2.184 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -2.230 4.301 3.262 1.00 0.00 C ATOM 0 H ILE A 76 -3.770 6.970 5.751 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.051 8.007 3.133 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.638 5.258 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.245 6.382 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.299 6.032 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.527 4.460 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.874 5.597 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.386 6.139 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.141 4.257 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.638 3.634 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.583 3.990 2.279 1.00 0.00 H new ATOM 1256 N THR A 77 -6.504 8.231 2.685 1.00 0.00 N ATOM 1257 CA THR A 77 -7.907 8.570 2.557 1.00 0.00 C ATOM 1258 C THR A 77 -8.359 8.576 1.097 1.00 0.00 C ATOM 1259 O THR A 77 -9.478 8.158 0.791 1.00 0.00 O ATOM 1260 CB THR A 77 -8.179 9.938 3.222 1.00 0.00 C ATOM 1261 OG1 THR A 77 -9.572 10.081 3.537 1.00 0.00 O ATOM 1262 CG2 THR A 77 -7.720 11.088 2.337 1.00 0.00 C ATOM 0 H THR A 77 -5.914 8.543 1.914 1.00 0.00 H new ATOM 0 HA THR A 77 -8.488 7.803 3.068 1.00 0.00 H new ATOM 0 HB THR A 77 -7.604 9.973 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.724 10.952 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.926 12.035 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.649 11.000 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.255 11.053 1.388 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.482 9.027 0.203 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.807 9.144 -1.215 1.00 0.00 C ATOM 1272 C GLU A 78 -6.600 9.642 -1.996 1.00 0.00 C ATOM 1273 O GLU A 78 -5.910 10.558 -1.545 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.967 10.122 -1.411 1.00 0.00 C ATOM 1275 CG GLU A 78 -10.175 9.512 -2.094 1.00 0.00 C ATOM 1276 CD GLU A 78 -11.357 10.454 -2.096 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -11.924 10.699 -1.010 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.719 10.958 -3.170 1.00 0.00 O ATOM 0 H GLU A 78 -6.534 9.319 0.439 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.094 8.158 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.269 10.511 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.619 10.970 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.918 9.250 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.449 8.586 -1.588 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.342 9.017 -3.150 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.251 9.420 -4.046 1.00 0.00 C ATOM 1287 C PHE A 79 -3.899 9.364 -3.338 1.00 0.00 C ATOM 1288 O PHE A 79 -2.926 9.983 -3.773 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.508 10.827 -4.603 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.711 10.903 -5.499 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.596 10.659 -6.857 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.958 11.212 -4.981 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -7.701 10.724 -7.682 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -9.067 11.276 -5.800 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.939 11.030 -7.152 1.00 0.00 C ATOM 0 H PHE A 79 -6.881 8.220 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.222 8.714 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.639 11.520 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.629 11.156 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.631 10.415 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.064 11.405 -3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.597 10.536 -8.740 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -10.034 11.518 -5.384 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.806 11.077 -7.795 1.00 0.00 H new ATOM 1305 N SER A 80 -3.855 8.604 -2.255 1.00 0.00 N ATOM 1306 CA SER A 80 -2.653 8.444 -1.459 1.00 0.00 C ATOM 1307 C SER A 80 -1.564 7.739 -2.254 1.00 0.00 C ATOM 1308 O SER A 80 -1.810 6.707 -2.884 1.00 0.00 O ATOM 1309 CB SER A 80 -2.999 7.636 -0.212 1.00 0.00 C ATOM 1310 OG SER A 80 -4.242 8.062 0.323 1.00 0.00 O ATOM 0 H SER A 80 -4.656 8.080 -1.904 1.00 0.00 H new ATOM 0 HA SER A 80 -2.275 9.426 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.046 6.576 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.214 7.754 0.535 1.00 0.00 H new ATOM 0 HG SER A 80 -4.090 8.780 0.972 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.369 8.307 -2.236 1.00 0.00 N ATOM 1317 CA GLU A 81 0.758 7.715 -2.926 1.00 0.00 C ATOM 1318 C GLU A 81 1.583 6.862 -1.978 1.00 0.00 C ATOM 1319 O GLU A 81 2.021 7.319 -0.922 1.00 0.00 O ATOM 1320 CB GLU A 81 1.633 8.789 -3.567 1.00 0.00 C ATOM 1321 CG GLU A 81 0.954 9.518 -4.711 1.00 0.00 C ATOM 1322 CD GLU A 81 1.937 10.183 -5.649 1.00 0.00 C ATOM 1323 OE1 GLU A 81 2.397 11.305 -5.349 1.00 0.00 O ATOM 1324 OE2 GLU A 81 2.255 9.586 -6.698 1.00 0.00 O ATOM 0 H GLU A 81 -0.158 9.178 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 81 0.365 7.075 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.922 9.513 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.550 8.328 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.343 8.812 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.279 10.272 -4.306 1.00 0.00 H new ATOM 1331 N ILE A 82 1.775 5.619 -2.367 1.00 0.00 N ATOM 1332 CA ILE A 82 2.554 4.679 -1.584 1.00 0.00 C ATOM 1333 C ILE A 82 3.892 4.433 -2.262 1.00 0.00 C ATOM 1334 O ILE A 82 3.947 3.889 -3.365 1.00 0.00 O ATOM 1335 CB ILE A 82 1.823 3.329 -1.413 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.406 3.544 -0.877 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.609 2.404 -0.490 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.349 4.313 0.427 1.00 0.00 C ATOM 0 H ILE A 82 1.398 5.231 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 82 2.701 5.116 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 82 1.750 2.856 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.178 4.078 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.069 2.573 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.077 1.459 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.596 2.219 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.717 2.872 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.689 4.423 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.903 3.771 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.792 5.299 0.288 1.00 0.00 H new ATOM 1350 N VAL A 83 4.958 4.845 -1.609 1.00 0.00 N ATOM 1351 CA VAL A 83 6.292 4.683 -2.154 1.00 0.00 C ATOM 1352 C VAL A 83 6.853 3.335 -1.729 1.00 0.00 C ATOM 1353 O VAL A 83 7.024 3.070 -0.539 1.00 0.00 O ATOM 1354 CB VAL A 83 7.242 5.807 -1.692 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.579 5.706 -2.406 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.612 7.173 -1.922 1.00 0.00 C ATOM 0 H VAL A 83 4.927 5.297 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 83 6.218 4.735 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 83 7.416 5.688 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.235 6.508 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.038 4.743 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.425 5.795 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.299 7.951 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.403 7.303 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.682 7.244 -1.358 1.00 0.00 H new ATOM 1366 N VAL A 84 7.114 2.477 -2.697 1.00 0.00 N ATOM 1367 CA VAL A 84 7.590 1.137 -2.411 1.00 0.00 C ATOM 1368 C VAL A 84 9.109 1.066 -2.506 1.00 0.00 C ATOM 1369 O VAL A 84 9.683 1.095 -3.596 1.00 0.00 O ATOM 1370 CB VAL A 84 6.962 0.103 -3.368 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.432 -1.302 -3.026 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.444 0.183 -3.318 1.00 0.00 C ATOM 0 H VAL A 84 7.004 2.685 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 84 7.287 0.897 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 84 7.287 0.335 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.977 -2.015 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.517 -1.354 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.139 -1.545 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.018 -0.554 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.102 -0.021 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.122 1.181 -3.615 1.00 0.00 H new ATOM 1382 N PHE A 85 9.752 0.990 -1.353 1.00 0.00 N ATOM 1383 CA PHE A 85 11.194 0.831 -1.292 1.00 0.00 C ATOM 1384 C PHE A 85 11.547 -0.638 -1.159 1.00 0.00 C ATOM 1385 O PHE A 85 11.116 -1.307 -0.219 1.00 0.00 O ATOM 1386 CB PHE A 85 11.783 1.618 -0.124 1.00 0.00 C ATOM 1387 CG PHE A 85 12.023 3.069 -0.433 1.00 0.00 C ATOM 1388 CD1 PHE A 85 13.155 3.462 -1.128 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.125 4.038 -0.022 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.386 4.795 -1.407 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.349 5.372 -0.299 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.481 5.752 -0.992 1.00 0.00 C ATOM 0 H PHE A 85 9.295 1.036 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 85 11.621 1.222 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.109 1.544 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.725 1.158 0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.865 2.717 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.238 3.748 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.273 5.088 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.639 6.118 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.658 6.795 -1.209 1.00 0.00 H new ATOM 1402 N LEU A 86 12.320 -1.139 -2.104 1.00 0.00 N ATOM 1403 CA LEU A 86 12.702 -2.538 -2.098 1.00 0.00 C ATOM 1404 C LEU A 86 13.902 -2.739 -1.192 1.00 0.00 C ATOM 1405 O LEU A 86 14.964 -2.150 -1.403 1.00 0.00 O ATOM 1406 CB LEU A 86 13.005 -3.024 -3.516 1.00 0.00 C ATOM 1407 CG LEU A 86 11.879 -2.795 -4.529 1.00 0.00 C ATOM 1408 CD1 LEU A 86 12.177 -3.519 -5.830 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.545 -3.256 -3.965 1.00 0.00 C ATOM 0 H LEU A 86 12.695 -0.599 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 86 11.869 -3.128 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.903 -2.521 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.230 -4.090 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 86 11.817 -1.726 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.366 -3.345 -6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.111 -3.145 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.268 -4.588 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.760 -3.084 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.597 -4.319 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.321 -2.696 -3.057 1.00 0.00 H new ATOM 1421 N LYS A 87 13.717 -3.551 -0.168 1.00 0.00 N ATOM 1422 CA LYS A 87 14.744 -3.769 0.828 1.00 0.00 C ATOM 1423 C LYS A 87 15.517 -5.043 0.541 1.00 0.00 C ATOM 1424 O LYS A 87 14.956 -6.141 0.546 1.00 0.00 O ATOM 1425 CB LYS A 87 14.122 -3.831 2.226 1.00 0.00 C ATOM 1426 CG LYS A 87 13.399 -2.553 2.610 1.00 0.00 C ATOM 1427 CD LYS A 87 14.324 -1.356 2.479 1.00 0.00 C ATOM 1428 CE LYS A 87 13.585 -0.042 2.635 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.478 1.111 2.358 1.00 0.00 N ATOM 0 H LYS A 87 12.856 -4.074 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 87 15.440 -2.931 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.422 -4.665 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.905 -4.033 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.526 -2.417 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.036 -2.628 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.109 -1.421 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.814 -1.382 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.733 -0.018 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.188 0.037 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.946 1.997 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.277 1.099 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.837 1.046 1.384 1.00 0.00 H new