USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 565 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 69 THR OG1 : rot 180:sc= 0.772 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0741) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.804 (180deg=0.719) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0286) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 29 HIS : no HE2:sc= -1.67! C(o=-1.7!,f=-5.7!) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= 0.946 (180deg=0.544) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.191 K(o=-0.19,f=-3!) USER MOD Single : A 45 SER OG : rot -42:sc= 1.05 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.489 F(o=-1.9,f=-0.49) USER MOD Single : A 58 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= -0.0102 (180deg=-0.075) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.00655 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.0749 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.787 -5.036 -11.097 1.00 0.00 N ATOM 245 CA GLU A 14 -13.841 -6.266 -10.373 1.00 0.00 C ATOM 246 C GLU A 14 -13.634 -5.992 -8.915 1.00 0.00 C ATOM 247 O GLU A 14 -14.489 -6.298 -8.120 1.00 0.00 O ATOM 248 CB GLU A 14 -12.803 -7.269 -10.902 1.00 0.00 C ATOM 249 CG GLU A 14 -12.791 -8.623 -10.190 1.00 0.00 C ATOM 250 CD GLU A 14 -14.081 -9.390 -10.355 1.00 0.00 C ATOM 251 OE1 GLU A 14 -14.258 -10.057 -11.405 1.00 0.00 O ATOM 252 OE2 GLU A 14 -14.942 -9.352 -9.447 1.00 0.00 O ATOM 0 HA GLU A 14 -14.823 -6.718 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.988 -7.435 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.812 -6.822 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.967 -9.223 -10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.601 -8.467 -9.128 1.00 0.00 H new ATOM 259 N ILE A 15 -12.530 -5.337 -8.582 1.00 0.00 N ATOM 260 CA ILE A 15 -12.169 -5.078 -7.182 1.00 0.00 C ATOM 261 C ILE A 15 -13.254 -4.302 -6.423 1.00 0.00 C ATOM 262 O ILE A 15 -13.436 -4.487 -5.218 1.00 0.00 O ATOM 263 CB ILE A 15 -10.760 -4.397 -7.045 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.692 -3.008 -7.704 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.684 -5.289 -7.630 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.127 -1.852 -6.831 1.00 0.00 C ATOM 0 H ILE A 15 -11.862 -4.971 -9.261 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.097 -6.056 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.591 -4.255 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.667 -2.829 -8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.314 -3.019 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.713 -4.803 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.672 -6.241 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.892 -5.466 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.041 -0.921 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.163 -1.997 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.491 -1.804 -5.947 1.00 0.00 H new ATOM 278 N LYS A 16 -14.019 -3.505 -7.139 1.00 0.00 N ATOM 279 CA LYS A 16 -15.043 -2.710 -6.509 1.00 0.00 C ATOM 280 C LYS A 16 -16.285 -3.508 -6.211 1.00 0.00 C ATOM 281 O LYS A 16 -17.024 -3.187 -5.289 1.00 0.00 O ATOM 282 CB LYS A 16 -15.307 -1.406 -7.251 1.00 0.00 C ATOM 283 CG LYS A 16 -14.344 -0.316 -6.822 1.00 0.00 C ATOM 284 CD LYS A 16 -14.521 0.992 -7.563 1.00 0.00 C ATOM 285 CE LYS A 16 -13.992 0.924 -8.978 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.946 2.265 -9.594 1.00 0.00 N ATOM 0 H LYS A 16 -13.950 -3.393 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.658 -2.408 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.215 -1.572 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.331 -1.082 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.468 -0.136 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.323 -0.669 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.579 1.255 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.006 1.786 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.993 0.487 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.625 0.268 -9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.579 2.189 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.904 2.670 -9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.322 2.882 -9.036 1.00 0.00 H new ATOM 300 N LYS A 17 -16.475 -4.570 -6.941 1.00 0.00 N ATOM 301 CA LYS A 17 -17.557 -5.484 -6.688 1.00 0.00 C ATOM 302 C LYS A 17 -17.062 -6.544 -5.699 1.00 0.00 C ATOM 303 O LYS A 17 -17.744 -6.888 -4.742 1.00 0.00 O ATOM 304 CB LYS A 17 -17.996 -6.152 -8.004 1.00 0.00 C ATOM 305 CG LYS A 17 -19.189 -7.106 -7.885 1.00 0.00 C ATOM 306 CD LYS A 17 -20.474 -6.380 -7.481 1.00 0.00 C ATOM 307 CE LYS A 17 -20.903 -5.349 -8.524 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.221 -5.959 -9.837 1.00 0.00 N ATOM 0 H LYS A 17 -15.884 -4.829 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.413 -4.953 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -18.245 -5.372 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.149 -6.704 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.344 -7.611 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.963 -7.877 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -21.273 -7.108 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -20.324 -5.884 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.777 -4.810 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.107 -4.616 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.634 -5.239 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -20.351 -6.333 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.902 -6.734 -9.704 1.00 0.00 H new ATOM 322 N LYS A 18 -15.834 -6.978 -5.923 1.00 0.00 N ATOM 323 CA LYS A 18 -15.146 -8.043 -5.192 1.00 0.00 C ATOM 324 C LYS A 18 -15.000 -7.721 -3.722 1.00 0.00 C ATOM 325 O LYS A 18 -15.309 -8.537 -2.868 1.00 0.00 O ATOM 326 CB LYS A 18 -13.759 -8.252 -5.841 1.00 0.00 C ATOM 327 CG LYS A 18 -12.838 -9.270 -5.186 1.00 0.00 C ATOM 328 CD LYS A 18 -11.526 -9.356 -5.964 1.00 0.00 C ATOM 329 CE LYS A 18 -10.534 -10.313 -5.318 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.293 -10.445 -6.108 1.00 0.00 N ATOM 0 H LYS A 18 -15.253 -6.578 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.739 -8.955 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.912 -8.551 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.245 -7.291 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.641 -8.984 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.321 -10.247 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.731 -9.682 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.080 -8.364 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.290 -9.959 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.997 -11.293 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.721 -11.226 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.533 -10.643 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.750 -9.559 -6.053 1.00 0.00 H new ATOM 344 N PHE A 19 -14.539 -6.534 -3.429 1.00 0.00 N ATOM 345 CA PHE A 19 -14.310 -6.139 -2.045 1.00 0.00 C ATOM 346 C PHE A 19 -15.440 -5.280 -1.546 1.00 0.00 C ATOM 347 O PHE A 19 -15.520 -4.979 -0.348 1.00 0.00 O ATOM 348 CB PHE A 19 -12.991 -5.368 -1.918 1.00 0.00 C ATOM 349 CG PHE A 19 -11.816 -6.128 -2.440 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.466 -7.331 -1.881 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.087 -5.654 -3.513 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.410 -8.048 -2.370 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.028 -6.373 -4.014 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.690 -7.573 -3.437 1.00 0.00 C ATOM 0 H PHE A 19 -14.312 -5.819 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.256 -7.045 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.075 -4.425 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.820 -5.122 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.031 -7.716 -1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.352 -4.709 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.142 -8.990 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.465 -5.997 -4.856 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.858 -8.142 -3.823 1.00 0.00 H new ATOM 364 N LYS A 20 -16.336 -4.948 -2.464 1.00 0.00 N ATOM 365 CA LYS A 20 -17.402 -3.996 -2.235 1.00 0.00 C ATOM 366 C LYS A 20 -16.777 -2.672 -1.876 1.00 0.00 C ATOM 367 O LYS A 20 -16.724 -2.246 -0.712 1.00 0.00 O ATOM 368 CB LYS A 20 -18.466 -4.501 -1.234 1.00 0.00 C ATOM 369 CG LYS A 20 -19.651 -3.569 -1.054 1.00 0.00 C ATOM 370 CD LYS A 20 -20.782 -4.228 -0.265 1.00 0.00 C ATOM 371 CE LYS A 20 -20.390 -4.615 1.159 1.00 0.00 C ATOM 372 NZ LYS A 20 -20.007 -3.455 1.984 1.00 0.00 N ATOM 0 H LYS A 20 -16.339 -5.342 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.983 -3.863 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.831 -5.472 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.991 -4.656 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.327 -2.666 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -20.022 -3.261 -2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.632 -3.546 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.113 -5.120 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.225 -5.131 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.559 -5.319 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.817 -3.769 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.152 -3.015 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.782 -2.762 1.989 1.00 0.00 H new ATOM 386 N LEU A 21 -16.250 -2.059 -2.894 1.00 0.00 N ATOM 387 CA LEU A 21 -15.422 -0.902 -2.752 1.00 0.00 C ATOM 388 C LEU A 21 -15.954 0.253 -3.589 1.00 0.00 C ATOM 389 O LEU A 21 -15.242 1.233 -3.842 1.00 0.00 O ATOM 390 CB LEU A 21 -14.029 -1.272 -3.244 1.00 0.00 C ATOM 391 CG LEU A 21 -12.904 -0.423 -2.722 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.742 -0.701 -1.251 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.627 -0.701 -3.480 1.00 0.00 C ATOM 0 H LEU A 21 -16.386 -2.355 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.407 -0.587 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.832 -2.309 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.023 -1.220 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.135 0.632 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.929 -0.093 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.667 -0.455 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.512 -1.756 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.826 -0.076 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.357 -1.751 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.775 -0.477 -4.537 1.00 0.00 H new ATOM 405 N THR A 22 -17.179 0.132 -4.043 1.00 0.00 N ATOM 406 CA THR A 22 -17.803 1.155 -4.834 1.00 0.00 C ATOM 407 C THR A 22 -18.105 2.412 -4.013 1.00 0.00 C ATOM 408 O THR A 22 -19.151 2.524 -3.366 1.00 0.00 O ATOM 409 CB THR A 22 -19.061 0.605 -5.505 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.522 -0.556 -4.759 1.00 0.00 O ATOM 411 CG2 THR A 22 -18.771 0.218 -6.944 1.00 0.00 C ATOM 0 H THR A 22 -17.769 -0.682 -3.871 1.00 0.00 H new ATOM 0 HA THR A 22 -17.101 1.457 -5.611 1.00 0.00 H new ATOM 0 HB THR A 22 -19.834 1.373 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.330 -0.916 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.678 -0.172 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.431 1.095 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 22 -17.995 -0.548 -6.966 1.00 0.00 H new ATOM 419 N GLY A 23 -17.153 3.311 -3.999 1.00 0.00 N ATOM 420 CA GLY A 23 -17.280 4.530 -3.276 1.00 0.00 C ATOM 421 C GLY A 23 -15.982 5.289 -3.290 1.00 0.00 C ATOM 422 O GLY A 23 -15.018 4.845 -3.933 1.00 0.00 O ATOM 0 H GLY A 23 -16.268 3.208 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.069 5.140 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.574 4.321 -2.248 1.00 0.00 H new ATOM 426 N PRO A 24 -15.914 6.425 -2.607 1.00 0.00 N ATOM 427 CA PRO A 24 -14.710 7.235 -2.549 1.00 0.00 C ATOM 428 C PRO A 24 -13.678 6.660 -1.577 1.00 0.00 C ATOM 429 O PRO A 24 -13.979 6.417 -0.395 1.00 0.00 O ATOM 430 CB PRO A 24 -15.221 8.581 -2.045 1.00 0.00 C ATOM 431 CG PRO A 24 -16.432 8.263 -1.238 1.00 0.00 C ATOM 432 CD PRO A 24 -17.030 7.026 -1.838 1.00 0.00 C ATOM 0 HA PRO A 24 -14.201 7.288 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.468 9.087 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.464 9.245 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.170 8.099 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.143 9.089 -1.263 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.396 6.346 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.876 7.264 -2.482 1.00 0.00 H new ATOM 440 N ILE A 25 -12.499 6.403 -2.063 1.00 0.00 N ATOM 441 CA ILE A 25 -11.433 5.913 -1.226 1.00 0.00 C ATOM 442 C ILE A 25 -10.348 6.966 -1.014 1.00 0.00 C ATOM 443 O ILE A 25 -10.128 7.834 -1.871 1.00 0.00 O ATOM 444 CB ILE A 25 -10.852 4.525 -1.702 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.481 4.485 -3.215 1.00 0.00 C ATOM 446 CG2 ILE A 25 -11.815 3.397 -1.363 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.240 5.266 -3.616 1.00 0.00 C ATOM 0 H ILE A 25 -12.246 6.525 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.878 5.716 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.919 4.388 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.342 3.444 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.327 4.866 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.397 2.448 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.971 3.363 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.768 3.570 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.079 5.167 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.375 6.318 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.375 4.874 -3.081 1.00 0.00 H new ATOM 459 N GLN A 26 -9.750 6.935 0.143 1.00 0.00 N ATOM 460 CA GLN A 26 -8.658 7.816 0.514 1.00 0.00 C ATOM 461 C GLN A 26 -7.548 6.995 1.005 1.00 0.00 C ATOM 462 O GLN A 26 -7.752 6.026 1.722 1.00 0.00 O ATOM 463 CB GLN A 26 -9.082 8.823 1.584 1.00 0.00 C ATOM 464 CG GLN A 26 -10.104 9.841 1.124 1.00 0.00 C ATOM 465 CD GLN A 26 -10.574 10.753 2.241 1.00 0.00 C ATOM 466 OE1 GLN A 26 -9.845 11.022 3.207 1.00 0.00 O ATOM 467 NE2 GLN A 26 -11.764 11.264 2.108 1.00 0.00 N ATOM 0 H GLN A 26 -10.010 6.281 0.881 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.352 8.388 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.490 8.278 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.197 9.351 1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.673 10.445 0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.963 9.320 0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.336 11.020 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.124 11.908 2.812 1.00 0.00 H new ATOM 476 N VAL A 27 -6.383 7.362 0.599 1.00 0.00 N ATOM 477 CA VAL A 27 -5.206 6.657 0.954 1.00 0.00 C ATOM 478 C VAL A 27 -4.902 6.974 2.407 1.00 0.00 C ATOM 479 O VAL A 27 -4.591 8.121 2.742 1.00 0.00 O ATOM 480 CB VAL A 27 -4.032 7.097 0.076 1.00 0.00 C ATOM 481 CG1 VAL A 27 -2.870 6.221 0.339 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.402 7.065 -1.401 1.00 0.00 C ATOM 0 H VAL A 27 -6.221 8.173 0.002 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.353 5.587 0.811 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.776 8.127 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.032 6.531 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.588 6.296 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.132 5.189 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.547 7.383 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.684 6.051 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.240 7.738 -1.581 1.00 0.00 H new ATOM 492 N ILE A 28 -5.031 5.990 3.258 1.00 0.00 N ATOM 493 CA ILE A 28 -4.902 6.208 4.680 1.00 0.00 C ATOM 494 C ILE A 28 -3.431 6.185 5.101 1.00 0.00 C ATOM 495 O ILE A 28 -2.975 7.045 5.853 1.00 0.00 O ATOM 496 CB ILE A 28 -5.710 5.144 5.483 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.173 5.068 4.990 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.685 5.458 6.972 1.00 0.00 C ATOM 499 CD1 ILE A 28 -7.961 6.358 5.143 1.00 0.00 C ATOM 0 H ILE A 28 -5.226 5.025 2.992 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.312 7.192 4.905 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.236 4.177 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.174 4.780 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.686 4.277 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.255 4.703 7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.654 5.458 7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.128 6.439 7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.975 6.211 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.997 6.640 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.477 7.150 4.572 1.00 0.00 H new ATOM 511 N HIS A 29 -2.689 5.216 4.595 1.00 0.00 N ATOM 512 CA HIS A 29 -1.266 5.071 4.910 1.00 0.00 C ATOM 513 C HIS A 29 -0.560 4.437 3.750 1.00 0.00 C ATOM 514 O HIS A 29 -1.197 3.877 2.845 1.00 0.00 O ATOM 515 CB HIS A 29 -0.984 4.148 6.130 1.00 0.00 C ATOM 516 CG HIS A 29 -1.421 4.597 7.484 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.546 5.045 8.431 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.621 4.560 8.080 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.190 5.264 9.550 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.451 4.975 9.362 1.00 0.00 N ATOM 0 H HIS A 29 -3.048 4.506 3.956 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.916 6.078 5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.456 3.186 5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.091 3.973 6.171 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.454 5.187 8.289 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.552 4.256 7.625 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.754 5.622 10.471 1.00 0.00 H new ATOM 529 N LEU A 30 0.733 4.486 3.799 1.00 0.00 N ATOM 530 CA LEU A 30 1.563 3.795 2.865 1.00 0.00 C ATOM 531 C LEU A 30 1.961 2.465 3.491 1.00 0.00 C ATOM 532 O LEU A 30 2.596 2.431 4.563 1.00 0.00 O ATOM 533 CB LEU A 30 2.845 4.607 2.513 1.00 0.00 C ATOM 534 CG LEU A 30 2.713 5.869 1.620 1.00 0.00 C ATOM 535 CD1 LEU A 30 2.061 5.544 0.297 1.00 0.00 C ATOM 536 CD2 LEU A 30 1.989 7.011 2.317 1.00 0.00 C ATOM 0 H LEU A 30 1.250 5.016 4.501 1.00 0.00 H new ATOM 0 HA LEU A 30 1.008 3.649 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.308 4.914 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.541 3.927 2.021 1.00 0.00 H new ATOM 0 HG LEU A 30 3.729 6.212 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.984 6.451 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.663 4.807 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.064 5.140 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.927 7.867 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.984 6.691 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.537 7.295 3.215 1.00 0.00 H new ATOM 548 N ALA A 31 1.571 1.388 2.876 1.00 0.00 N ATOM 549 CA ALA A 31 1.955 0.074 3.337 1.00 0.00 C ATOM 550 C ALA A 31 3.061 -0.452 2.454 1.00 0.00 C ATOM 551 O ALA A 31 3.324 0.068 1.381 1.00 0.00 O ATOM 552 CB ALA A 31 0.758 -0.857 3.338 1.00 0.00 C ATOM 0 H ALA A 31 0.981 1.388 2.044 1.00 0.00 H new ATOM 0 HA ALA A 31 2.321 0.134 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.064 -1.843 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.011 -0.460 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.360 -0.938 2.327 1.00 0.00 H new ATOM 558 N LYS A 32 3.699 -1.442 2.888 1.00 0.00 N ATOM 559 CA LYS A 32 4.806 -1.985 2.219 1.00 0.00 C ATOM 560 C LYS A 32 4.798 -3.421 2.567 1.00 0.00 C ATOM 561 O LYS A 32 5.037 -3.807 3.714 1.00 0.00 O ATOM 562 CB LYS A 32 6.125 -1.237 2.583 1.00 0.00 C ATOM 563 CG LYS A 32 6.475 -1.220 4.059 1.00 0.00 C ATOM 564 CD LYS A 32 7.517 -0.174 4.394 1.00 0.00 C ATOM 565 CE LYS A 32 7.817 -0.198 5.876 1.00 0.00 C ATOM 566 NZ LYS A 32 8.589 0.964 6.332 1.00 0.00 N ATOM 0 H LYS A 32 3.463 -1.925 3.755 1.00 0.00 H new ATOM 0 HA LYS A 32 4.747 -1.865 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.948 -1.699 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.048 -0.208 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.573 -1.030 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.843 -2.203 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.429 -0.363 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.159 0.814 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.879 -0.241 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.369 -1.108 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.574 1.005 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.572 0.878 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.169 1.833 5.945 1.00 0.00 H new ATOM 580 N ALA A 33 4.350 -4.172 1.644 1.00 0.00 N ATOM 581 CA ALA A 33 4.213 -5.577 1.813 1.00 0.00 C ATOM 582 C ALA A 33 5.570 -6.202 1.980 1.00 0.00 C ATOM 583 O ALA A 33 6.489 -5.941 1.185 1.00 0.00 O ATOM 584 CB ALA A 33 3.402 -6.163 0.664 1.00 0.00 C ATOM 0 H ALA A 33 4.060 -3.831 0.728 1.00 0.00 H new ATOM 0 HA ALA A 33 3.656 -5.801 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.302 -7.240 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.413 -5.706 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.910 -5.963 -0.279 1.00 0.00 H new ATOM 590 N CYS A 34 5.732 -6.938 3.038 1.00 0.00 N ATOM 591 CA CYS A 34 6.993 -7.535 3.331 1.00 0.00 C ATOM 592 C CYS A 34 6.945 -8.955 3.150 1.00 0.00 C ATOM 593 O CYS A 34 5.912 -9.589 3.392 1.00 0.00 O ATOM 594 CB CYS A 34 7.467 -7.340 4.777 1.00 0.00 C ATOM 595 SG CYS A 34 9.107 -8.204 5.132 1.00 0.00 S ATOM 0 H CYS A 34 4.997 -7.139 3.716 1.00 0.00 H new ATOM 0 HA CYS A 34 7.677 -7.035 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.572 -6.274 4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.706 -7.721 5.458 1.00 0.00 H new ATOM 600 N CYS A 35 8.084 -9.463 2.752 1.00 0.00 N ATOM 601 CA CYS A 35 8.375 -10.842 2.820 1.00 0.00 C ATOM 602 C CYS A 35 7.493 -11.626 1.826 1.00 0.00 C ATOM 603 O CYS A 35 6.742 -11.037 1.033 1.00 0.00 O ATOM 604 CB CYS A 35 8.112 -11.297 4.291 1.00 0.00 C ATOM 605 SG CYS A 35 8.741 -10.188 5.720 1.00 0.00 S ATOM 0 H CYS A 35 8.842 -8.901 2.365 1.00 0.00 H new ATOM 0 HA CYS A 35 9.412 -11.037 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.035 -11.416 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.558 -12.284 4.417 1.00 0.00 H new ATOM 610 N ASP A 36 7.645 -12.914 1.796 1.00 0.00 N ATOM 611 CA ASP A 36 6.744 -13.763 1.024 1.00 0.00 C ATOM 612 C ASP A 36 5.447 -13.896 1.784 1.00 0.00 C ATOM 613 O ASP A 36 5.416 -14.440 2.895 1.00 0.00 O ATOM 614 CB ASP A 36 7.345 -15.150 0.764 1.00 0.00 C ATOM 615 CG ASP A 36 6.401 -16.070 0.001 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.437 -16.087 -1.257 1.00 0.00 O ATOM 617 OD2 ASP A 36 5.627 -16.820 0.634 1.00 0.00 O ATOM 0 H ASP A 36 8.381 -13.416 2.293 1.00 0.00 H new ATOM 0 HA ASP A 36 6.575 -13.301 0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.271 -15.039 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.605 -15.613 1.716 1.00 0.00 H new ATOM 622 N VAL A 37 4.408 -13.356 1.231 1.00 0.00 N ATOM 623 CA VAL A 37 3.104 -13.378 1.861 1.00 0.00 C ATOM 624 C VAL A 37 2.195 -14.358 1.149 1.00 0.00 C ATOM 625 O VAL A 37 2.474 -14.737 0.001 1.00 0.00 O ATOM 626 CB VAL A 37 2.410 -11.990 1.856 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.320 -10.902 2.362 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.869 -11.643 0.496 1.00 0.00 C ATOM 0 H VAL A 37 4.428 -12.883 0.327 1.00 0.00 H new ATOM 0 HA VAL A 37 3.272 -13.677 2.896 1.00 0.00 H new ATOM 0 HB VAL A 37 1.568 -12.062 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.793 -9.948 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.623 -11.127 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.204 -10.842 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.391 -10.664 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.686 -11.620 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.138 -12.393 0.193 1.00 0.00 H new ATOM 638 N LYS A 38 1.180 -14.849 1.853 1.00 0.00 N ATOM 639 CA LYS A 38 0.128 -15.621 1.201 1.00 0.00 C ATOM 640 C LYS A 38 -0.416 -14.859 -0.022 1.00 0.00 C ATOM 641 O LYS A 38 -0.153 -15.263 -1.164 1.00 0.00 O ATOM 642 CB LYS A 38 -0.991 -16.048 2.181 1.00 0.00 C ATOM 643 CG LYS A 38 -1.441 -14.965 3.153 1.00 0.00 C ATOM 644 CD LYS A 38 -2.692 -15.367 3.932 1.00 0.00 C ATOM 645 CE LYS A 38 -2.535 -16.656 4.713 1.00 0.00 C ATOM 646 NZ LYS A 38 -3.748 -16.961 5.496 1.00 0.00 N ATOM 0 H LYS A 38 1.064 -14.729 2.859 1.00 0.00 H new ATOM 0 HA LYS A 38 0.570 -16.552 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.854 -16.378 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.644 -16.908 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.634 -14.750 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.639 -14.045 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.954 -14.564 4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.524 -15.473 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.327 -17.477 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.678 -16.576 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.609 -17.849 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.931 -16.188 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.560 -17.061 4.854 1.00 0.00 H new ATOM 660 N GLY A 39 -1.082 -13.726 0.207 1.00 0.00 N ATOM 661 CA GLY A 39 -1.560 -12.924 -0.920 1.00 0.00 C ATOM 662 C GLY A 39 -2.554 -13.669 -1.781 1.00 0.00 C ATOM 663 O GLY A 39 -2.414 -13.692 -3.019 1.00 0.00 O ATOM 0 H GLY A 39 -1.298 -13.352 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.023 -12.012 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.710 -12.620 -1.532 1.00 0.00 H new ATOM 667 N GLY A 40 -3.467 -14.355 -1.119 1.00 0.00 N ATOM 668 CA GLY A 40 -4.433 -15.245 -1.751 1.00 0.00 C ATOM 669 C GLY A 40 -5.407 -14.608 -2.751 1.00 0.00 C ATOM 670 O GLY A 40 -5.115 -13.599 -3.399 1.00 0.00 O ATOM 0 H GLY A 40 -3.563 -14.310 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.883 -16.033 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.017 -15.725 -0.966 1.00 0.00 H new ATOM 674 N LYS A 41 -6.579 -15.193 -2.857 1.00 0.00 N ATOM 675 CA LYS A 41 -7.541 -14.811 -3.887 1.00 0.00 C ATOM 676 C LYS A 41 -8.215 -13.469 -3.621 1.00 0.00 C ATOM 677 O LYS A 41 -8.446 -12.692 -4.547 1.00 0.00 O ATOM 678 CB LYS A 41 -8.565 -15.927 -4.138 1.00 0.00 C ATOM 679 CG LYS A 41 -9.419 -16.317 -2.932 1.00 0.00 C ATOM 680 CD LYS A 41 -10.316 -17.504 -3.256 1.00 0.00 C ATOM 681 CE LYS A 41 -11.243 -17.209 -4.425 1.00 0.00 C ATOM 682 NZ LYS A 41 -11.996 -18.404 -4.855 1.00 0.00 N ATOM 0 H LYS A 41 -6.898 -15.941 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.966 -14.672 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.228 -15.614 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.034 -16.812 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.773 -16.565 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.030 -15.468 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.700 -18.372 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.909 -17.762 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.943 -16.423 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.659 -16.829 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.614 -18.156 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.330 -19.146 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.575 -18.753 -4.064 1.00 0.00 H new ATOM 696 N ASN A 42 -8.523 -13.186 -2.376 1.00 0.00 N ATOM 697 CA ASN A 42 -9.152 -11.911 -2.041 1.00 0.00 C ATOM 698 C ASN A 42 -8.124 -10.988 -1.430 1.00 0.00 C ATOM 699 O ASN A 42 -8.396 -9.849 -1.099 1.00 0.00 O ATOM 700 CB ASN A 42 -10.373 -12.092 -1.101 1.00 0.00 C ATOM 701 CG ASN A 42 -10.037 -12.541 0.324 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.030 -13.202 0.578 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.911 -12.226 1.251 1.00 0.00 N ATOM 0 H ASN A 42 -8.355 -13.805 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.533 -11.466 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.915 -11.148 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.048 -12.823 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.765 -12.530 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.736 -11.677 1.009 1.00 0.00 H new ATOM 710 N GLU A 43 -6.934 -11.489 -1.318 1.00 0.00 N ATOM 711 CA GLU A 43 -5.847 -10.751 -0.761 1.00 0.00 C ATOM 712 C GLU A 43 -5.032 -10.209 -1.900 1.00 0.00 C ATOM 713 O GLU A 43 -5.197 -10.648 -3.043 1.00 0.00 O ATOM 714 CB GLU A 43 -5.007 -11.655 0.123 1.00 0.00 C ATOM 715 CG GLU A 43 -5.822 -12.344 1.190 1.00 0.00 C ATOM 716 CD GLU A 43 -5.025 -13.282 2.040 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.091 -13.932 1.516 1.00 0.00 O ATOM 718 OE2 GLU A 43 -5.338 -13.401 3.244 1.00 0.00 O ATOM 0 H GLU A 43 -6.688 -12.433 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.212 -9.931 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.515 -12.406 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.221 -11.066 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.281 -11.589 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.633 -12.897 0.716 1.00 0.00 H new ATOM 725 N LEU A 44 -4.203 -9.255 -1.635 1.00 0.00 N ATOM 726 CA LEU A 44 -3.410 -8.679 -2.676 1.00 0.00 C ATOM 727 C LEU A 44 -2.261 -9.573 -2.962 1.00 0.00 C ATOM 728 O LEU A 44 -1.500 -9.957 -2.062 1.00 0.00 O ATOM 729 CB LEU A 44 -2.876 -7.324 -2.285 1.00 0.00 C ATOM 730 CG LEU A 44 -2.964 -6.206 -3.329 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.517 -4.887 -2.723 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.131 -6.532 -4.557 1.00 0.00 C ATOM 0 H LEU A 44 -4.055 -8.856 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.044 -8.561 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.410 -6.996 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.829 -7.442 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.004 -6.118 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.584 -4.100 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.160 -4.638 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.486 -4.975 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.214 -5.720 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.087 -6.654 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.493 -7.456 -5.007 1.00 0.00 H new ATOM 744 N SER A 45 -2.114 -9.876 -4.179 1.00 0.00 N ATOM 745 CA SER A 45 -1.020 -10.673 -4.626 1.00 0.00 C ATOM 746 C SER A 45 0.179 -9.764 -4.895 1.00 0.00 C ATOM 747 O SER A 45 0.550 -9.474 -6.037 1.00 0.00 O ATOM 748 CB SER A 45 -1.402 -11.535 -5.839 1.00 0.00 C ATOM 749 OG SER A 45 -2.491 -12.420 -5.508 1.00 0.00 O ATOM 0 H SER A 45 -2.751 -9.582 -4.920 1.00 0.00 H new ATOM 0 HA SER A 45 -0.743 -11.382 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.688 -10.894 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.540 -12.116 -6.165 1.00 0.00 H new ATOM 0 HG SER A 45 -2.344 -12.800 -4.617 1.00 0.00 H new ATOM 755 N PHE A 46 0.678 -9.217 -3.817 1.00 0.00 N ATOM 756 CA PHE A 46 1.831 -8.373 -3.823 1.00 0.00 C ATOM 757 C PHE A 46 3.043 -9.175 -3.435 1.00 0.00 C ATOM 758 O PHE A 46 2.990 -10.419 -3.376 1.00 0.00 O ATOM 759 CB PHE A 46 1.647 -7.136 -2.915 1.00 0.00 C ATOM 760 CG PHE A 46 1.052 -7.407 -1.545 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.491 -8.439 -0.753 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.057 -6.601 -1.054 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.943 -8.659 0.485 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.493 -6.827 0.192 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.041 -7.867 0.955 1.00 0.00 C ATOM 0 H PHE A 46 0.278 -9.354 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 46 1.974 -7.989 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.618 -6.659 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.009 -6.420 -3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.279 -9.086 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.302 -5.776 -1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.304 -9.477 1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.278 -6.184 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.470 -8.053 1.929 1.00 0.00 H new ATOM 775 N LYS A 47 4.102 -8.507 -3.150 1.00 0.00 N ATOM 776 CA LYS A 47 5.314 -9.138 -2.909 1.00 0.00 C ATOM 777 C LYS A 47 6.094 -8.320 -1.893 1.00 0.00 C ATOM 778 O LYS A 47 5.628 -7.306 -1.385 1.00 0.00 O ATOM 779 CB LYS A 47 6.038 -9.210 -4.252 1.00 0.00 C ATOM 780 CG LYS A 47 7.288 -10.035 -4.358 1.00 0.00 C ATOM 781 CD LYS A 47 7.902 -9.749 -5.694 1.00 0.00 C ATOM 782 CE LYS A 47 9.294 -10.327 -5.865 1.00 0.00 C ATOM 783 NZ LYS A 47 9.308 -11.794 -5.805 1.00 0.00 N ATOM 0 H LYS A 47 4.134 -7.490 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 47 5.193 -10.142 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.329 -9.589 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.289 -8.191 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.982 -9.785 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.057 -11.096 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.254 -10.149 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.947 -8.670 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.703 -10.002 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.947 -9.929 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.282 -12.137 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.944 -12.107 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.708 -12.178 -6.563 1.00 0.00 H new ATOM 797 N GLN A 48 7.249 -8.742 -1.709 1.00 0.00 N ATOM 798 CA GLN A 48 8.208 -8.249 -0.771 1.00 0.00 C ATOM 799 C GLN A 48 8.844 -6.996 -1.320 1.00 0.00 C ATOM 800 O GLN A 48 9.635 -7.036 -2.271 1.00 0.00 O ATOM 801 CB GLN A 48 9.260 -9.342 -0.489 1.00 0.00 C ATOM 802 CG GLN A 48 10.434 -8.882 0.350 1.00 0.00 C ATOM 803 CD GLN A 48 11.373 -10.001 0.732 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.482 -11.004 -0.095 1.00 0.00 O flip ATOM 805 NE2 GLN A 48 12.000 -9.955 1.782 1.00 0.00 N flip ATOM 0 H GLN A 48 7.617 -9.523 -2.252 1.00 0.00 H new ATOM 0 HA GLN A 48 7.721 -7.998 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.773 -10.176 0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.635 -9.721 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.990 -8.123 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.059 -8.407 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.891 -9.156 2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.631 -10.716 2.033 1.00 0.00 H new ATOM 814 N GLY A 49 8.457 -5.899 -0.775 1.00 0.00 N ATOM 815 CA GLY A 49 8.966 -4.646 -1.224 1.00 0.00 C ATOM 816 C GLY A 49 7.982 -3.956 -2.118 1.00 0.00 C ATOM 817 O GLY A 49 8.301 -2.949 -2.757 1.00 0.00 O ATOM 0 H GLY A 49 7.784 -5.840 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.190 -4.012 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.903 -4.801 -1.759 1.00 0.00 H new ATOM 821 N GLU A 50 6.792 -4.509 -2.202 1.00 0.00 N ATOM 822 CA GLU A 50 5.737 -3.902 -2.961 1.00 0.00 C ATOM 823 C GLU A 50 5.162 -2.718 -2.225 1.00 0.00 C ATOM 824 O GLU A 50 4.765 -2.813 -1.046 1.00 0.00 O ATOM 825 CB GLU A 50 4.660 -4.914 -3.352 1.00 0.00 C ATOM 826 CG GLU A 50 4.951 -5.647 -4.661 1.00 0.00 C ATOM 827 CD GLU A 50 4.936 -4.720 -5.875 1.00 0.00 C ATOM 828 OE1 GLU A 50 5.936 -4.007 -6.113 1.00 0.00 O ATOM 829 OE2 GLU A 50 3.911 -4.690 -6.616 1.00 0.00 O ATOM 0 H GLU A 50 6.536 -5.386 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 50 6.166 -3.535 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.555 -5.646 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.704 -4.398 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.925 -6.132 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.212 -6.435 -4.803 1.00 0.00 H new ATOM 836 N GLN A 51 5.094 -1.633 -2.926 1.00 0.00 N ATOM 837 CA GLN A 51 4.662 -0.393 -2.402 1.00 0.00 C ATOM 838 C GLN A 51 3.210 -0.329 -2.701 1.00 0.00 C ATOM 839 O GLN A 51 2.774 -0.088 -3.824 1.00 0.00 O ATOM 840 CB GLN A 51 5.436 0.766 -3.077 1.00 0.00 C ATOM 841 CG GLN A 51 5.322 2.174 -2.439 1.00 0.00 C ATOM 842 CD GLN A 51 3.929 2.795 -2.466 1.00 0.00 C ATOM 843 OE1 GLN A 51 3.216 2.698 -1.389 1.00 0.00 O flip ATOM 844 NE2 GLN A 51 3.547 3.448 -3.437 1.00 0.00 N flip ATOM 0 H GLN A 51 5.348 -1.592 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 51 4.846 -0.302 -1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.491 0.494 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.099 0.838 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.653 2.112 -1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.010 2.844 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.129 3.507 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.648 3.930 -3.406 1.00 0.00 H new ATOM 853 N ILE A 52 2.515 -0.684 -1.735 1.00 0.00 N ATOM 854 CA ILE A 52 1.082 -0.643 -1.723 1.00 0.00 C ATOM 855 C ILE A 52 0.562 0.472 -0.841 1.00 0.00 C ATOM 856 O ILE A 52 1.248 0.973 0.030 1.00 0.00 O ATOM 857 CB ILE A 52 0.516 -1.951 -1.224 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.049 -2.244 0.143 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.863 -3.065 -2.158 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.571 -3.518 0.664 1.00 0.00 C ATOM 0 H ILE A 52 2.916 -1.036 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 52 0.763 -0.463 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.570 -1.866 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.138 -2.253 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.757 -1.444 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.446 -3.999 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.449 -2.855 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.947 -3.155 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.986 -3.684 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.517 -3.501 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.886 -4.324 0.001 1.00 0.00 H new ATOM 872 N GLU A 53 -0.624 0.872 -1.078 1.00 0.00 N ATOM 873 CA GLU A 53 -1.226 1.893 -0.280 1.00 0.00 C ATOM 874 C GLU A 53 -2.570 1.400 0.162 1.00 0.00 C ATOM 875 O GLU A 53 -3.341 0.911 -0.656 1.00 0.00 O ATOM 876 CB GLU A 53 -1.384 3.173 -1.094 1.00 0.00 C ATOM 877 CG GLU A 53 -0.121 3.614 -1.807 1.00 0.00 C ATOM 878 CD GLU A 53 -0.353 4.745 -2.761 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.886 4.507 -3.860 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.025 5.897 -2.450 1.00 0.00 O ATOM 0 H GLU A 53 -1.215 0.510 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.599 2.114 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.172 3.026 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.713 3.974 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.621 3.916 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.297 2.767 -2.351 1.00 0.00 H new ATOM 887 N ILE A 54 -2.847 1.467 1.440 1.00 0.00 N ATOM 888 CA ILE A 54 -4.170 1.047 1.885 1.00 0.00 C ATOM 889 C ILE A 54 -5.122 2.229 1.895 1.00 0.00 C ATOM 890 O ILE A 54 -4.789 3.326 2.377 1.00 0.00 O ATOM 891 CB ILE A 54 -4.229 0.246 3.242 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.051 1.125 4.479 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.168 -0.836 3.251 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.688 1.699 4.619 1.00 0.00 C ATOM 0 H ILE A 54 -2.212 1.792 2.170 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.489 0.312 1.146 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.228 -0.186 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.775 1.939 4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.279 0.536 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.216 -1.384 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.341 -1.522 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.183 -0.381 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.641 2.310 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.959 0.892 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.462 2.317 3.750 1.00 0.00 H new ATOM 906 N ILE A 55 -6.275 2.018 1.339 1.00 0.00 N ATOM 907 CA ILE A 55 -7.282 3.056 1.201 1.00 0.00 C ATOM 908 C ILE A 55 -8.540 2.691 1.960 1.00 0.00 C ATOM 909 O ILE A 55 -9.581 3.331 1.823 1.00 0.00 O ATOM 910 CB ILE A 55 -7.640 3.392 -0.299 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.989 2.142 -1.142 1.00 0.00 C ATOM 912 CG2 ILE A 55 -6.521 4.173 -0.968 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.787 1.317 -1.574 1.00 0.00 C ATOM 0 H ILE A 55 -6.558 1.114 0.960 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.840 3.956 1.630 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.538 4.009 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.661 1.507 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.534 2.459 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.796 4.390 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.358 5.108 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.605 3.582 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.124 0.462 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.122 1.932 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.252 0.965 -0.692 1.00 0.00 H new ATOM 925 N ARG A 56 -8.430 1.676 2.775 1.00 0.00 N ATOM 926 CA ARG A 56 -9.535 1.189 3.547 1.00 0.00 C ATOM 927 C ARG A 56 -9.061 0.480 4.778 1.00 0.00 C ATOM 928 O ARG A 56 -8.394 -0.567 4.693 1.00 0.00 O ATOM 929 CB ARG A 56 -10.411 0.288 2.683 1.00 0.00 C ATOM 930 CG ARG A 56 -11.349 -0.662 3.415 1.00 0.00 C ATOM 931 CD ARG A 56 -12.285 -1.237 2.409 1.00 0.00 C ATOM 932 NE ARG A 56 -12.964 -2.471 2.791 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.039 -2.944 2.125 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.768 -2.129 1.357 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.417 -4.202 2.265 1.00 0.00 N ATOM 0 H ARG A 56 -7.562 1.161 2.921 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.135 2.036 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.011 0.922 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.760 -0.305 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.784 -1.453 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.900 -0.132 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.042 -0.487 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.729 -1.423 1.490 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.613 -2.996 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.513 -1.145 1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.579 -2.491 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.895 -4.826 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.231 -4.550 1.757 1.00 0.00 H new ATOM 949 N ILE A 57 -9.367 1.051 5.908 1.00 0.00 N ATOM 950 CA ILE A 57 -9.042 0.445 7.156 1.00 0.00 C ATOM 951 C ILE A 57 -10.297 -0.245 7.660 1.00 0.00 C ATOM 952 O ILE A 57 -11.205 0.399 8.209 1.00 0.00 O ATOM 953 CB ILE A 57 -8.619 1.527 8.203 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.467 2.400 7.681 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.252 0.899 9.540 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.199 1.648 7.343 1.00 0.00 C ATOM 0 H ILE A 57 -9.848 1.947 5.984 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.216 -0.253 7.024 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.484 2.171 8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.806 2.929 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.235 3.156 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.963 1.681 10.242 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.111 0.356 9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.419 0.210 9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.445 2.349 6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.828 1.141 8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.409 0.911 6.568 1.00 0.00 H new ATOM 968 N THR A 58 -10.403 -1.505 7.392 1.00 0.00 N ATOM 969 CA THR A 58 -11.460 -2.287 7.935 1.00 0.00 C ATOM 970 C THR A 58 -11.014 -3.169 9.106 1.00 0.00 C ATOM 971 O THR A 58 -9.917 -3.732 9.108 1.00 0.00 O ATOM 972 CB THR A 58 -12.110 -3.090 6.819 1.00 0.00 C ATOM 973 OG1 THR A 58 -11.114 -3.400 5.809 1.00 0.00 O ATOM 974 CG2 THR A 58 -13.205 -2.267 6.201 1.00 0.00 C ATOM 0 H THR A 58 -9.759 -2.019 6.791 1.00 0.00 H new ATOM 0 HA THR A 58 -12.200 -1.611 8.364 1.00 0.00 H new ATOM 0 HB THR A 58 -12.523 -4.016 7.220 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.545 -4.133 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.678 -2.834 5.399 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.948 -2.022 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.784 -1.347 5.795 1.00 0.00 H new ATOM 1037 N GLY A 63 -11.278 -8.685 8.210 1.00 0.00 N ATOM 1038 CA GLY A 63 -10.172 -8.502 9.111 1.00 0.00 C ATOM 1039 C GLY A 63 -8.918 -8.210 8.363 1.00 0.00 C ATOM 1040 O GLY A 63 -7.822 -8.522 8.801 1.00 0.00 O ATOM 0 HA2 GLY A 63 -10.389 -7.684 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.039 -9.399 9.716 1.00 0.00 H new ATOM 1044 N LYS A 64 -9.077 -7.628 7.223 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.974 -7.297 6.384 1.00 0.00 C ATOM 1046 C LYS A 64 -8.155 -5.874 5.963 1.00 0.00 C ATOM 1047 O LYS A 64 -9.263 -5.327 6.088 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.973 -8.155 5.120 1.00 0.00 C ATOM 1049 CG LYS A 64 -8.082 -9.657 5.302 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.902 -10.265 6.026 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.991 -11.791 6.031 1.00 0.00 C ATOM 1052 NZ LYS A 64 -8.230 -12.306 6.675 1.00 0.00 N ATOM 0 H LYS A 64 -9.986 -7.365 6.842 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.042 -7.461 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.801 -7.830 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.055 -7.947 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.993 -9.883 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.179 -10.127 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.975 -9.953 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.870 -9.895 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.946 -12.154 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.124 -12.197 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.183 -13.343 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.317 -11.905 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.057 -12.030 6.107 1.00 0.00 H new ATOM 1066 N TRP A 65 -7.118 -5.277 5.488 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.200 -3.945 4.956 1.00 0.00 C ATOM 1068 C TRP A 65 -7.217 -4.001 3.477 1.00 0.00 C ATOM 1069 O TRP A 65 -6.723 -4.946 2.898 1.00 0.00 O ATOM 1070 CB TRP A 65 -6.059 -3.073 5.450 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.234 -2.659 6.862 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.333 -2.868 7.628 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.312 -1.940 7.666 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -7.163 -2.338 8.857 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.920 -1.755 8.918 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -4.033 -1.439 7.454 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.290 -1.083 9.956 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.407 -0.771 8.479 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -4.033 -0.596 9.719 1.00 0.00 C ATOM 0 H TRP A 65 -6.186 -5.690 5.453 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.126 -3.491 5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.120 -3.616 5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.985 -2.186 4.821 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.221 -3.387 7.300 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.844 -2.365 9.616 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.541 -1.572 6.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.772 -0.950 10.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.414 -0.374 8.325 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.514 -0.066 10.504 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.791 -3.029 2.862 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.829 -3.016 1.440 1.00 0.00 C ATOM 1092 C LEU A 66 -6.735 -2.118 0.931 1.00 0.00 C ATOM 1093 O LEU A 66 -6.744 -0.888 1.157 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.244 -2.658 0.906 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.476 -2.637 -0.632 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.988 -1.354 -1.254 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.788 -3.813 -1.300 1.00 0.00 C ATOM 0 H LEU A 66 -8.240 -2.234 3.317 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.638 -4.016 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.950 -3.368 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.505 -1.673 1.294 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.552 -2.710 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.168 -1.379 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.522 -0.511 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.920 -1.243 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.965 -3.776 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.716 -3.765 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.188 -4.744 -0.899 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.791 -2.735 0.301 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.686 -2.061 -0.249 1.00 0.00 C ATOM 1111 C GLY A 67 -4.759 -2.064 -1.746 1.00 0.00 C ATOM 1112 O GLY A 67 -5.658 -2.663 -2.337 1.00 0.00 O ATOM 0 H GLY A 67 -5.776 -3.745 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.660 -1.035 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.762 -2.539 0.077 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.828 -1.434 -2.335 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.676 -1.349 -3.748 1.00 0.00 C ATOM 1118 C ARG A 68 -2.209 -1.185 -3.980 1.00 0.00 C ATOM 1119 O ARG A 68 -1.550 -0.534 -3.182 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.436 -0.136 -4.347 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.897 1.238 -3.913 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.610 2.416 -4.584 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.449 2.439 -6.056 1.00 0.00 N ATOM 1124 CZ ARG A 68 -3.404 3.002 -6.712 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -2.381 3.523 -6.037 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.397 3.048 -8.041 1.00 0.00 N ATOM 0 H ARG A 68 -3.102 -0.930 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.087 -2.236 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.396 -0.200 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.486 -0.206 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.996 1.333 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.833 1.290 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.672 2.374 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.226 3.348 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.178 1.999 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.379 3.501 -5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.600 3.944 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.179 2.659 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.610 3.472 -8.532 1.00 0.00 H new ATOM 1140 N THR A 69 -1.678 -1.790 -4.975 1.00 0.00 N ATOM 1141 CA THR A 69 -0.298 -1.585 -5.274 1.00 0.00 C ATOM 1142 C THR A 69 -0.153 -0.270 -6.011 1.00 0.00 C ATOM 1143 O THR A 69 -1.157 0.293 -6.473 1.00 0.00 O ATOM 1144 CB THR A 69 0.270 -2.732 -6.131 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.480 -2.883 -7.349 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.255 -4.043 -5.370 1.00 0.00 C ATOM 0 H THR A 69 -2.169 -2.430 -5.599 1.00 0.00 H new ATOM 0 HA THR A 69 0.265 -1.563 -4.341 1.00 0.00 H new ATOM 0 HB THR A 69 1.301 -2.474 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.101 -3.616 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.662 -4.834 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.862 -3.948 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.769 -4.291 -5.092 1.00 0.00 H new ATOM 1154 N ALA A 70 1.070 0.205 -6.152 1.00 0.00 N ATOM 1155 CA ALA A 70 1.345 1.429 -6.896 1.00 0.00 C ATOM 1156 C ALA A 70 0.964 1.241 -8.365 1.00 0.00 C ATOM 1157 O ALA A 70 0.759 2.201 -9.111 1.00 0.00 O ATOM 1158 CB ALA A 70 2.816 1.787 -6.776 1.00 0.00 C ATOM 0 H ALA A 70 1.899 -0.240 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 70 0.751 2.242 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.014 2.702 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.069 1.940 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.422 0.976 -7.181 1.00 0.00 H new ATOM 1164 N ARG A 71 0.862 -0.009 -8.757 1.00 0.00 N ATOM 1165 CA ARG A 71 0.505 -0.380 -10.098 1.00 0.00 C ATOM 1166 C ARG A 71 -1.018 -0.392 -10.280 1.00 0.00 C ATOM 1167 O ARG A 71 -1.507 -0.270 -11.390 1.00 0.00 O ATOM 1168 CB ARG A 71 1.089 -1.746 -10.427 1.00 0.00 C ATOM 1169 CG ARG A 71 2.584 -1.834 -10.185 1.00 0.00 C ATOM 1170 CD ARG A 71 3.122 -3.185 -10.577 1.00 0.00 C ATOM 1171 NE ARG A 71 4.546 -3.327 -10.278 1.00 0.00 N ATOM 1172 CZ ARG A 71 5.491 -3.540 -11.198 1.00 0.00 C ATOM 1173 NH1 ARG A 71 5.212 -3.380 -12.493 1.00 0.00 N ATOM 1174 NH2 ARG A 71 6.724 -3.832 -10.823 1.00 0.00 N ATOM 0 H ARG A 71 1.028 -0.804 -8.140 1.00 0.00 H new ATOM 0 HA ARG A 71 0.918 0.361 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.586 -2.503 -9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.883 -1.980 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.093 -1.058 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.796 -1.647 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.564 -3.961 -10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.960 -3.342 -11.643 1.00 0.00 H new ATOM 0 HE ARG A 71 4.837 -3.259 -9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.276 -3.095 -12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.935 -3.543 -13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.954 -3.895 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.446 -3.995 -11.525 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.762 -0.530 -9.187 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.215 -0.515 -9.286 1.00 0.00 C ATOM 1190 C GLY A 72 -3.879 -1.856 -8.987 1.00 0.00 C ATOM 1191 O GLY A 72 -5.026 -2.078 -9.363 1.00 0.00 O ATOM 0 H GLY A 72 -1.393 -0.651 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.607 0.233 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.496 -0.200 -10.291 1.00 0.00 H new ATOM 1195 N SER A 73 -3.184 -2.745 -8.315 1.00 0.00 N ATOM 1196 CA SER A 73 -3.759 -4.014 -7.950 1.00 0.00 C ATOM 1197 C SER A 73 -4.326 -3.906 -6.552 1.00 0.00 C ATOM 1198 O SER A 73 -3.591 -3.730 -5.602 1.00 0.00 O ATOM 1199 CB SER A 73 -2.698 -5.105 -7.999 1.00 0.00 C ATOM 1200 OG SER A 73 -2.047 -5.111 -9.259 1.00 0.00 O ATOM 0 H SER A 73 -2.220 -2.610 -8.011 1.00 0.00 H new ATOM 0 HA SER A 73 -4.552 -4.273 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.967 -4.945 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.158 -6.076 -7.817 1.00 0.00 H new ATOM 0 HG SER A 73 -1.367 -5.817 -9.273 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.615 -3.936 -6.454 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.302 -3.837 -5.172 1.00 0.00 C ATOM 1208 C TYR A 74 -6.453 -5.211 -4.546 1.00 0.00 C ATOM 1209 O TYR A 74 -6.741 -6.199 -5.251 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.677 -3.174 -5.332 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.629 -1.747 -5.848 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.345 -1.481 -7.180 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.853 -0.670 -5.002 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.286 -0.197 -7.657 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.791 0.629 -5.474 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.506 0.853 -6.806 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.422 2.136 -7.283 1.00 0.00 O ATOM 0 H TYR A 74 -6.240 -4.030 -7.255 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.698 -3.213 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.279 -3.774 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.185 -3.182 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.166 -2.304 -7.856 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.079 -0.848 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.067 -0.015 -8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.964 1.460 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.605 2.768 -6.557 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.235 -5.290 -3.256 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.359 -6.561 -2.562 1.00 0.00 C ATOM 1229 C GLY A 75 -6.367 -6.424 -1.062 1.00 0.00 C ATOM 1230 O GLY A 75 -5.873 -5.423 -0.531 1.00 0.00 O ATOM 0 H GLY A 75 -5.973 -4.501 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.279 -7.052 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.534 -7.209 -2.856 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.955 -7.406 -0.370 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.919 -7.433 1.069 1.00 0.00 C ATOM 1236 C TYR A 76 -5.523 -7.720 1.562 1.00 0.00 C ATOM 1237 O TYR A 76 -4.765 -8.473 0.954 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.895 -8.443 1.675 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.337 -7.986 1.774 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.661 -6.792 2.407 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.369 -8.765 1.283 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.969 -6.387 2.540 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.686 -8.372 1.421 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.978 -7.180 2.049 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.287 -6.796 2.204 1.00 0.00 O ATOM 0 H TYR A 76 -7.457 -8.185 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.232 -6.442 1.398 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.862 -9.355 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.546 -8.703 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.871 -6.170 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.142 -9.695 0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.201 -5.452 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.482 -8.994 1.039 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.875 -7.467 1.799 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.188 -7.108 2.626 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.906 -7.236 3.201 1.00 0.00 C ATOM 1257 C ILE A 77 -4.034 -7.678 4.625 1.00 0.00 C ATOM 1258 O ILE A 77 -4.865 -7.141 5.369 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.197 -5.864 3.221 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.105 -5.273 1.835 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.816 -6.020 3.781 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.654 -3.853 1.809 1.00 0.00 C ATOM 0 H ILE A 77 -5.813 -6.486 3.139 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.341 -7.958 2.612 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.784 -5.191 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.416 -5.873 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.082 -5.342 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.317 -5.051 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.877 -6.411 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.248 -6.712 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.614 -3.503 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.355 -3.238 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.663 -3.778 2.256 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.259 -8.666 5.010 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.125 -8.949 6.404 1.00 0.00 C ATOM 1276 C LYS A 78 -2.264 -7.841 6.948 1.00 0.00 C ATOM 1277 O LYS A 78 -1.217 -7.565 6.382 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.399 -10.250 6.672 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.060 -11.520 6.176 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.256 -12.724 6.646 1.00 0.00 C ATOM 1281 CE LYS A 78 -0.860 -12.729 6.048 1.00 0.00 C ATOM 1282 NZ LYS A 78 0.001 -13.775 6.632 1.00 0.00 N ATOM 0 H LYS A 78 -2.725 -9.271 4.386 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.114 -9.026 6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.409 -10.185 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.254 -10.342 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.082 -11.582 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.120 -11.511 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.187 -12.715 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.776 -13.641 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.930 -12.880 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.398 -11.754 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.942 -13.737 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.092 -13.618 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.423 -14.709 6.462 1.00 0.00 H new ATOM 1296 N THR A 79 -2.651 -7.251 8.023 1.00 0.00 N ATOM 1297 CA THR A 79 -1.955 -6.093 8.596 1.00 0.00 C ATOM 1298 C THR A 79 -0.512 -6.425 9.057 1.00 0.00 C ATOM 1299 O THR A 79 0.282 -5.546 9.359 1.00 0.00 O ATOM 1300 CB THR A 79 -2.774 -5.562 9.766 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.975 -6.622 10.720 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.118 -5.113 9.265 1.00 0.00 C ATOM 0 H THR A 79 -3.469 -7.543 8.557 1.00 0.00 H new ATOM 0 HA THR A 79 -1.861 -5.337 7.817 1.00 0.00 H new ATOM 0 HB THR A 79 -2.248 -4.729 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.500 -6.286 11.476 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.708 -4.732 10.098 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.985 -4.325 8.524 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.637 -5.956 8.809 1.00 0.00 H new ATOM 1310 N THR A 80 -0.207 -7.694 9.067 1.00 0.00 N ATOM 1311 CA THR A 80 1.065 -8.202 9.477 1.00 0.00 C ATOM 1312 C THR A 80 1.927 -8.519 8.228 1.00 0.00 C ATOM 1313 O THR A 80 3.148 -8.640 8.308 1.00 0.00 O ATOM 1314 CB THR A 80 0.824 -9.464 10.343 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.047 -10.046 10.824 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.002 -10.494 9.581 1.00 0.00 C ATOM 0 H THR A 80 -0.861 -8.422 8.780 1.00 0.00 H new ATOM 0 HA THR A 80 1.608 -7.465 10.069 1.00 0.00 H new ATOM 0 HB THR A 80 0.261 -9.141 11.219 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.842 -10.837 11.365 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.155 -11.371 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.963 -10.063 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.534 -10.786 8.675 1.00 0.00 H new ATOM 1324 N ALA A 81 1.268 -8.597 7.062 1.00 0.00 N ATOM 1325 CA ALA A 81 1.951 -8.871 5.790 1.00 0.00 C ATOM 1326 C ALA A 81 2.599 -7.603 5.284 1.00 0.00 C ATOM 1327 O ALA A 81 3.426 -7.631 4.381 1.00 0.00 O ATOM 1328 CB ALA A 81 0.973 -9.415 4.729 1.00 0.00 C ATOM 0 H ALA A 81 0.259 -8.474 6.975 1.00 0.00 H new ATOM 0 HA ALA A 81 2.710 -9.633 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.512 -9.606 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.527 -10.343 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.188 -8.681 4.547 1.00 0.00 H new ATOM 1334 N VAL A 82 2.210 -6.490 5.866 1.00 0.00 N ATOM 1335 CA VAL A 82 2.735 -5.203 5.475 1.00 0.00 C ATOM 1336 C VAL A 82 3.163 -4.429 6.664 1.00 0.00 C ATOM 1337 O VAL A 82 2.688 -4.664 7.767 1.00 0.00 O ATOM 1338 CB VAL A 82 1.732 -4.342 4.652 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.363 -5.061 3.410 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.470 -4.013 5.435 1.00 0.00 C ATOM 0 H VAL A 82 1.524 -6.453 6.620 1.00 0.00 H new ATOM 0 HA VAL A 82 3.586 -5.421 4.830 1.00 0.00 H new ATOM 0 HB VAL A 82 2.229 -3.401 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.661 -4.457 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.258 -5.242 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.898 -6.013 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.196 -3.411 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.034 -4.937 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.734 -3.454 6.333 1.00 0.00 H new ATOM 1350 N GLU A 83 4.049 -3.525 6.434 1.00 0.00 N ATOM 1351 CA GLU A 83 4.522 -2.642 7.439 1.00 0.00 C ATOM 1352 C GLU A 83 3.899 -1.294 7.140 1.00 0.00 C ATOM 1353 O GLU A 83 4.224 -0.650 6.144 1.00 0.00 O ATOM 1354 CB GLU A 83 6.044 -2.558 7.390 1.00 0.00 C ATOM 1355 CG GLU A 83 6.765 -3.893 7.526 1.00 0.00 C ATOM 1356 CD GLU A 83 6.619 -4.513 8.889 1.00 0.00 C ATOM 1357 OE1 GLU A 83 5.640 -5.237 9.135 1.00 0.00 O ATOM 1358 OE2 GLU A 83 7.513 -4.310 9.741 1.00 0.00 O ATOM 0 H GLU A 83 4.475 -3.376 5.519 1.00 0.00 H new ATOM 0 HA GLU A 83 4.252 -2.986 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.338 -2.098 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.383 -1.896 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.379 -4.584 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.824 -3.749 7.311 1.00 0.00 H new ATOM 1365 N ILE A 84 2.958 -0.942 7.923 1.00 0.00 N ATOM 1366 CA ILE A 84 2.221 0.281 7.758 1.00 0.00 C ATOM 1367 C ILE A 84 2.991 1.431 8.399 1.00 0.00 C ATOM 1368 O ILE A 84 3.208 1.437 9.612 1.00 0.00 O ATOM 1369 CB ILE A 84 0.828 0.119 8.421 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.014 -0.929 7.681 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.077 1.444 8.557 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.486 -0.490 6.334 1.00 0.00 C ATOM 0 H ILE A 84 2.658 -1.499 8.723 1.00 0.00 H new ATOM 0 HA ILE A 84 2.089 0.502 6.699 1.00 0.00 H new ATOM 0 HB ILE A 84 1.003 -0.237 9.436 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.575 -1.840 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.880 -1.182 8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.890 1.267 9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.659 2.131 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.074 1.880 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.073 -1.286 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.103 0.402 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.374 -0.265 5.703 1.00 0.00 H new ATOM 1384 N ASP A 85 3.433 2.377 7.596 1.00 0.00 N ATOM 1385 CA ASP A 85 4.159 3.518 8.140 1.00 0.00 C ATOM 1386 C ASP A 85 3.215 4.572 8.621 1.00 0.00 C ATOM 1387 O ASP A 85 2.095 4.718 8.114 1.00 0.00 O ATOM 1388 CB ASP A 85 5.181 4.131 7.178 1.00 0.00 C ATOM 1389 CG ASP A 85 6.394 3.262 6.945 1.00 0.00 C ATOM 1390 OD1 ASP A 85 7.161 3.009 7.889 1.00 0.00 O ATOM 1391 OD2 ASP A 85 6.642 2.851 5.804 1.00 0.00 O ATOM 0 H ASP A 85 3.309 2.385 6.584 1.00 0.00 H new ATOM 0 HA ASP A 85 4.730 3.120 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.695 4.325 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.505 5.094 7.572 1.00 0.00 H new