USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=18 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= 0.776 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+ 168:sc= 1.23 (180deg=0.906) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0361 (180deg=-0.252) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0766) USER MOD Single : A 22 THR OG1 : rot 49:sc= 0.0476 USER MOD Single : A 26 GLN : amide:sc= -0.758 K(o=-0.76,f=-5!) USER MOD Single : A 29 HIS : no HE2:sc= 0.723 K(o=0.72,f=-3.2!) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.104 (180deg=-0.575) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc=-0.00541 (180deg=-0.112) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 45 SER OG : rot -47:sc= 0.302 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= -1.42 (180deg=-3.83!) USER MOD Single : A 48 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.07) USER MOD Single : A 51 GLN : amide:sc= 0.833 K(o=0.83,f=-0.12) USER MOD Single : A 58 THR OG1 : rot -145:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0266 (180deg=-0.252) USER MOD Single : A 74 TYR OH : rot 120:sc= 0.778 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.938) 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 -13.487 -4.728 -10.980 1.00 0.00 N ATOM 245 CA GLU A 14 -13.908 -5.876 -10.224 1.00 0.00 C ATOM 246 C GLU A 14 -13.730 -5.655 -8.729 1.00 0.00 C ATOM 247 O GLU A 14 -14.554 -6.091 -7.933 1.00 0.00 O ATOM 248 CB GLU A 14 -13.176 -7.116 -10.706 1.00 0.00 C ATOM 249 CG GLU A 14 -13.357 -7.363 -12.199 1.00 0.00 C ATOM 250 CD GLU A 14 -14.795 -7.636 -12.606 1.00 0.00 C ATOM 251 OE1 GLU A 14 -15.616 -6.690 -12.667 1.00 0.00 O ATOM 252 OE2 GLU A 14 -15.112 -8.800 -12.918 1.00 0.00 O ATOM 0 HA GLU A 14 -14.974 -6.028 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.113 -7.015 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.535 -7.983 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.993 -6.495 -12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.738 -8.210 -12.495 1.00 0.00 H new ATOM 259 N ILE A 15 -12.697 -4.919 -8.342 1.00 0.00 N ATOM 260 CA ILE A 15 -12.454 -4.652 -6.921 1.00 0.00 C ATOM 261 C ILE A 15 -13.512 -3.729 -6.358 1.00 0.00 C ATOM 262 O ILE A 15 -13.837 -3.779 -5.183 1.00 0.00 O ATOM 263 CB ILE A 15 -11.021 -4.113 -6.644 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.717 -2.797 -7.387 1.00 0.00 C ATOM 265 CG2 ILE A 15 -10.003 -5.159 -7.008 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.161 -1.529 -6.697 1.00 0.00 C ATOM 0 H ILE A 15 -12.019 -4.499 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.523 -5.609 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.965 -3.891 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.642 -2.738 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.191 -2.839 -8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.002 -4.776 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.172 -6.055 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.097 -5.405 -8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.895 -0.668 -7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.241 -1.552 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.668 -1.450 -5.728 1.00 0.00 H new ATOM 278 N LYS A 16 -14.080 -2.925 -7.228 1.00 0.00 N ATOM 279 CA LYS A 16 -15.132 -2.012 -6.867 1.00 0.00 C ATOM 280 C LYS A 16 -16.427 -2.751 -6.578 1.00 0.00 C ATOM 281 O LYS A 16 -17.339 -2.214 -5.948 1.00 0.00 O ATOM 282 CB LYS A 16 -15.262 -0.927 -7.924 1.00 0.00 C ATOM 283 CG LYS A 16 -14.201 0.148 -7.774 1.00 0.00 C ATOM 284 CD LYS A 16 -14.204 1.151 -8.905 1.00 0.00 C ATOM 285 CE LYS A 16 -13.155 2.220 -8.644 1.00 0.00 C ATOM 286 NZ LYS A 16 -12.985 3.148 -9.773 1.00 0.00 N ATOM 0 H LYS A 16 -13.820 -2.889 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.876 -1.509 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.185 -1.376 -8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.250 -0.472 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.356 0.673 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.220 -0.324 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.998 0.649 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.189 1.609 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.434 2.786 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.200 1.740 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.258 3.853 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.691 2.617 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.886 3.631 -9.964 1.00 0.00 H new ATOM 300 N LYS A 17 -16.480 -3.990 -7.009 1.00 0.00 N ATOM 301 CA LYS A 17 -17.563 -4.878 -6.678 1.00 0.00 C ATOM 302 C LYS A 17 -17.152 -5.683 -5.448 1.00 0.00 C ATOM 303 O LYS A 17 -17.772 -5.602 -4.396 1.00 0.00 O ATOM 304 CB LYS A 17 -17.837 -5.865 -7.816 1.00 0.00 C ATOM 305 CG LYS A 17 -18.190 -5.261 -9.155 1.00 0.00 C ATOM 306 CD LYS A 17 -18.427 -6.371 -10.170 1.00 0.00 C ATOM 307 CE LYS A 17 -18.768 -5.827 -11.538 1.00 0.00 C ATOM 308 NZ LYS A 17 -17.666 -5.039 -12.116 1.00 0.00 N ATOM 0 H LYS A 17 -15.766 -4.410 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.461 -4.287 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.955 -6.492 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.652 -6.521 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.083 -4.643 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.385 -4.609 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.535 -6.994 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.237 -7.012 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.010 -6.654 -12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.659 -5.204 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.858 -4.859 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.585 -4.133 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.775 -5.568 -12.023 1.00 0.00 H new ATOM 322 N LYS A 18 -16.024 -6.371 -5.590 1.00 0.00 N ATOM 323 CA LYS A 18 -15.492 -7.327 -4.617 1.00 0.00 C ATOM 324 C LYS A 18 -15.293 -6.697 -3.244 1.00 0.00 C ATOM 325 O LYS A 18 -15.665 -7.266 -2.218 1.00 0.00 O ATOM 326 CB LYS A 18 -14.154 -7.861 -5.155 1.00 0.00 C ATOM 327 CG LYS A 18 -13.510 -8.962 -4.336 1.00 0.00 C ATOM 328 CD LYS A 18 -12.179 -9.370 -4.947 1.00 0.00 C ATOM 329 CE LYS A 18 -11.550 -10.545 -4.217 1.00 0.00 C ATOM 330 NZ LYS A 18 -12.378 -11.761 -4.323 1.00 0.00 N ATOM 0 H LYS A 18 -15.431 -6.277 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.210 -8.137 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.312 -8.232 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.454 -7.029 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.358 -8.620 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.175 -9.824 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.327 -9.632 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.495 -8.522 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.560 -10.742 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.412 -10.289 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.815 -12.590 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.203 -11.675 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.700 -11.877 -5.305 1.00 0.00 H new ATOM 344 N PHE A 19 -14.743 -5.518 -3.240 1.00 0.00 N ATOM 345 CA PHE A 19 -14.458 -4.811 -2.008 1.00 0.00 C ATOM 346 C PHE A 19 -15.447 -3.683 -1.796 1.00 0.00 C ATOM 347 O PHE A 19 -15.417 -3.015 -0.770 1.00 0.00 O ATOM 348 CB PHE A 19 -13.040 -4.246 -2.036 1.00 0.00 C ATOM 349 CG PHE A 19 -11.955 -5.280 -2.146 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.527 -5.977 -1.034 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.362 -5.550 -3.367 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.529 -6.925 -1.136 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.364 -6.498 -3.473 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.948 -7.185 -2.357 1.00 0.00 C ATOM 0 H PHE A 19 -14.476 -5.013 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.548 -5.519 -1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.954 -3.558 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.877 -3.663 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.978 -5.778 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.684 -5.013 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.204 -7.463 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.910 -6.700 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.167 -7.927 -2.438 1.00 0.00 H new ATOM 364 N LYS A 20 -16.327 -3.496 -2.770 1.00 0.00 N ATOM 365 CA LYS A 20 -17.313 -2.413 -2.770 1.00 0.00 C ATOM 366 C LYS A 20 -16.631 -1.053 -2.636 1.00 0.00 C ATOM 367 O LYS A 20 -16.540 -0.459 -1.547 1.00 0.00 O ATOM 368 CB LYS A 20 -18.416 -2.630 -1.723 1.00 0.00 C ATOM 369 CG LYS A 20 -19.198 -3.918 -1.926 1.00 0.00 C ATOM 370 CD LYS A 20 -20.244 -4.113 -0.847 1.00 0.00 C ATOM 371 CE LYS A 20 -20.998 -5.426 -1.029 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.783 -5.466 -2.282 1.00 0.00 N ATOM 0 H LYS A 20 -16.381 -4.096 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.818 -2.425 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.967 -2.639 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.106 -1.787 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.681 -3.900 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.512 -4.765 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.765 -4.100 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.949 -3.282 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.287 -6.252 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.667 -5.576 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.392 -6.309 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.374 -4.613 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.136 -5.504 -3.096 1.00 0.00 H new ATOM 386 N LEU A 21 -16.101 -0.605 -3.738 1.00 0.00 N ATOM 387 CA LEU A 21 -15.307 0.610 -3.791 1.00 0.00 C ATOM 388 C LEU A 21 -15.819 1.589 -4.826 1.00 0.00 C ATOM 389 O LEU A 21 -15.109 2.513 -5.219 1.00 0.00 O ATOM 390 CB LEU A 21 -13.856 0.247 -4.072 1.00 0.00 C ATOM 391 CG LEU A 21 -13.155 -0.496 -2.950 1.00 0.00 C ATOM 392 CD1 LEU A 21 -11.840 -1.035 -3.420 1.00 0.00 C ATOM 393 CD2 LEU A 21 -12.939 0.435 -1.780 1.00 0.00 C ATOM 0 H LEU A 21 -16.203 -1.071 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.387 1.108 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.818 -0.365 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.302 1.162 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.782 -1.331 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.351 -1.565 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.004 -1.721 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.206 -0.212 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.435 -0.102 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.324 1.278 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.902 0.801 -1.424 1.00 0.00 H new ATOM 405 N THR A 22 -17.037 1.390 -5.273 1.00 0.00 N ATOM 406 CA THR A 22 -17.637 2.282 -6.225 1.00 0.00 C ATOM 407 C THR A 22 -18.012 3.610 -5.557 1.00 0.00 C ATOM 408 O THR A 22 -19.023 3.708 -4.847 1.00 0.00 O ATOM 409 CB THR A 22 -18.854 1.627 -6.892 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.615 0.911 -5.904 1.00 0.00 O ATOM 411 CG2 THR A 22 -18.430 0.677 -7.999 1.00 0.00 C ATOM 0 H THR A 22 -17.631 0.612 -4.988 1.00 0.00 H new ATOM 0 HA THR A 22 -16.908 2.496 -7.006 1.00 0.00 H new ATOM 0 HB THR A 22 -19.466 2.412 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.763 1.487 -5.125 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.314 0.229 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 22 -17.873 1.227 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 22 -17.798 -0.108 -7.583 1.00 0.00 H new ATOM 419 N GLY A 23 -17.160 4.586 -5.733 1.00 0.00 N ATOM 420 CA GLY A 23 -17.350 5.880 -5.153 1.00 0.00 C ATOM 421 C GLY A 23 -16.011 6.527 -4.895 1.00 0.00 C ATOM 422 O GLY A 23 -15.021 6.110 -5.498 1.00 0.00 O ATOM 0 H GLY A 23 -16.309 4.499 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.943 6.504 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.907 5.792 -4.220 1.00 0.00 H new ATOM 426 N PRO A 24 -15.927 7.525 -4.008 1.00 0.00 N ATOM 427 CA PRO A 24 -14.684 8.210 -3.709 1.00 0.00 C ATOM 428 C PRO A 24 -13.905 7.537 -2.574 1.00 0.00 C ATOM 429 O PRO A 24 -14.273 7.647 -1.392 1.00 0.00 O ATOM 430 CB PRO A 24 -15.143 9.615 -3.282 1.00 0.00 C ATOM 431 CG PRO A 24 -16.618 9.503 -2.980 1.00 0.00 C ATOM 432 CD PRO A 24 -17.035 8.074 -3.221 1.00 0.00 C ATOM 0 HA PRO A 24 -14.005 8.208 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.591 9.955 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.962 10.341 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.819 9.790 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.190 10.179 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.171 7.532 -2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.979 8.017 -3.762 1.00 0.00 H new ATOM 440 N ILE A 25 -12.866 6.822 -2.915 1.00 0.00 N ATOM 441 CA ILE A 25 -12.054 6.167 -1.923 1.00 0.00 C ATOM 442 C ILE A 25 -10.698 6.844 -1.805 1.00 0.00 C ATOM 443 O ILE A 25 -10.129 7.311 -2.807 1.00 0.00 O ATOM 444 CB ILE A 25 -11.966 4.602 -2.114 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.437 4.160 -3.502 1.00 0.00 C ATOM 446 CG2 ILE A 25 -13.320 3.970 -1.853 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.933 4.253 -3.682 1.00 0.00 C ATOM 0 H ILE A 25 -12.560 6.678 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.557 6.286 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.233 4.253 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.745 3.129 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.916 4.771 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.250 2.891 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.633 4.189 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.052 4.375 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.665 3.921 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.613 5.286 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.439 3.619 -2.946 1.00 0.00 H new ATOM 459 N GLN A 26 -10.206 6.930 -0.603 1.00 0.00 N ATOM 460 CA GLN A 26 -8.971 7.624 -0.321 1.00 0.00 C ATOM 461 C GLN A 26 -8.057 6.712 0.438 1.00 0.00 C ATOM 462 O GLN A 26 -8.529 5.856 1.183 1.00 0.00 O ATOM 463 CB GLN A 26 -9.246 8.881 0.516 1.00 0.00 C ATOM 464 CG GLN A 26 -10.130 9.930 -0.162 1.00 0.00 C ATOM 465 CD GLN A 26 -9.462 10.625 -1.342 1.00 0.00 C ATOM 466 OE1 GLN A 26 -8.617 10.064 -2.033 1.00 0.00 O ATOM 467 NE2 GLN A 26 -9.838 11.850 -1.578 1.00 0.00 N ATOM 0 H GLN A 26 -10.649 6.519 0.219 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.506 7.921 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.718 8.580 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.293 9.343 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.047 9.452 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.418 10.680 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.543 12.290 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.428 12.369 -2.354 1.00 0.00 H new ATOM 476 N VAL A 27 -6.770 6.868 0.240 1.00 0.00 N ATOM 477 CA VAL A 27 -5.809 6.063 0.946 1.00 0.00 C ATOM 478 C VAL A 27 -5.697 6.564 2.393 1.00 0.00 C ATOM 479 O VAL A 27 -5.867 7.758 2.661 1.00 0.00 O ATOM 480 CB VAL A 27 -4.416 6.043 0.231 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.797 7.403 0.139 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.473 5.112 0.918 1.00 0.00 C ATOM 0 H VAL A 27 -6.366 7.547 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.157 5.030 0.952 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.601 5.690 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.833 7.331 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.454 8.064 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.653 7.806 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.514 5.118 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.331 5.434 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.885 4.103 0.907 1.00 0.00 H new ATOM 492 N ILE A 28 -5.484 5.662 3.313 1.00 0.00 N ATOM 493 CA ILE A 28 -5.400 6.015 4.708 1.00 0.00 C ATOM 494 C ILE A 28 -3.933 6.131 5.139 1.00 0.00 C ATOM 495 O ILE A 28 -3.570 7.014 5.913 1.00 0.00 O ATOM 496 CB ILE A 28 -6.116 4.958 5.597 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.551 4.687 5.096 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.147 5.415 7.049 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.470 5.899 5.094 1.00 0.00 C ATOM 0 H ILE A 28 -5.364 4.668 3.121 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.896 6.977 4.839 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.550 4.029 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.497 4.289 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.997 3.912 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.652 4.663 7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.127 5.549 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.684 6.361 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.454 5.609 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.562 6.288 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.054 6.670 4.446 1.00 0.00 H new ATOM 511 N HIS A 29 -3.104 5.233 4.633 1.00 0.00 N ATOM 512 CA HIS A 29 -1.669 5.184 4.955 1.00 0.00 C ATOM 513 C HIS A 29 -0.923 4.490 3.858 1.00 0.00 C ATOM 514 O HIS A 29 -1.528 3.878 2.972 1.00 0.00 O ATOM 515 CB HIS A 29 -1.380 4.398 6.247 1.00 0.00 C ATOM 516 CG HIS A 29 -1.513 5.140 7.523 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.519 5.927 8.022 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.510 5.184 8.419 1.00 0.00 C ATOM 519 CE1 HIS A 29 -0.892 6.431 9.169 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.100 5.997 9.438 1.00 0.00 N ATOM 0 H HIS A 29 -3.401 4.507 3.981 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.351 6.219 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.052 3.540 6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.365 4.005 6.186 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.379 6.097 7.570 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.459 4.673 8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.305 7.092 9.789 1.00 0.00 H new ATOM 529 N LEU A 30 0.366 4.529 3.943 1.00 0.00 N ATOM 530 CA LEU A 30 1.188 3.829 3.017 1.00 0.00 C ATOM 531 C LEU A 30 1.604 2.545 3.633 1.00 0.00 C ATOM 532 O LEU A 30 2.049 2.516 4.770 1.00 0.00 O ATOM 533 CB LEU A 30 2.450 4.618 2.606 1.00 0.00 C ATOM 534 CG LEU A 30 2.255 5.881 1.769 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.345 5.607 0.596 1.00 0.00 C ATOM 536 CD2 LEU A 30 1.763 7.044 2.600 1.00 0.00 C ATOM 0 H LEU A 30 0.877 5.048 4.657 1.00 0.00 H new ATOM 0 HA LEU A 30 0.600 3.673 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.982 4.897 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.101 3.944 2.050 1.00 0.00 H new ATOM 0 HG LEU A 30 3.230 6.172 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.219 6.519 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.784 4.832 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.374 5.272 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.639 7.920 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.806 6.787 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.489 7.265 3.383 1.00 0.00 H new ATOM 548 N ALA A 31 1.387 1.490 2.947 1.00 0.00 N ATOM 549 CA ALA A 31 1.887 0.234 3.377 1.00 0.00 C ATOM 550 C ALA A 31 3.047 -0.163 2.477 1.00 0.00 C ATOM 551 O ALA A 31 3.318 0.477 1.457 1.00 0.00 O ATOM 552 CB ALA A 31 0.782 -0.800 3.388 1.00 0.00 C ATOM 0 H ALA A 31 0.860 1.467 2.074 1.00 0.00 H new ATOM 0 HA ALA A 31 2.256 0.302 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.183 -1.758 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.008 -0.481 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.374 -0.907 2.383 1.00 0.00 H new ATOM 558 N LYS A 32 3.747 -1.136 2.874 1.00 0.00 N ATOM 559 CA LYS A 32 4.829 -1.648 2.161 1.00 0.00 C ATOM 560 C LYS A 32 4.909 -3.073 2.529 1.00 0.00 C ATOM 561 O LYS A 32 5.232 -3.435 3.668 1.00 0.00 O ATOM 562 CB LYS A 32 6.145 -0.800 2.290 1.00 0.00 C ATOM 563 CG LYS A 32 6.724 -0.517 3.683 1.00 0.00 C ATOM 564 CD LYS A 32 7.728 -1.573 4.118 1.00 0.00 C ATOM 565 CE LYS A 32 8.516 -1.137 5.352 1.00 0.00 C ATOM 566 NZ LYS A 32 9.256 0.123 5.126 1.00 0.00 N ATOM 0 H LYS A 32 3.572 -1.624 3.753 1.00 0.00 H new ATOM 0 HA LYS A 32 4.682 -1.572 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.918 -1.305 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.963 0.161 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.206 0.460 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.912 -0.471 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.205 -2.505 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.419 -1.776 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.832 -1.009 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.218 -1.924 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.009 0.216 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.677 0.113 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.603 0.928 5.207 1.00 0.00 H new ATOM 580 N ALA A 33 4.439 -3.848 1.637 1.00 0.00 N ATOM 581 CA ALA A 33 4.306 -5.250 1.828 1.00 0.00 C ATOM 582 C ALA A 33 5.651 -5.917 1.916 1.00 0.00 C ATOM 583 O ALA A 33 6.592 -5.562 1.186 1.00 0.00 O ATOM 584 CB ALA A 33 3.406 -5.848 0.755 1.00 0.00 C ATOM 0 H ALA A 33 4.124 -3.524 0.722 1.00 0.00 H new ATOM 0 HA ALA A 33 3.819 -5.434 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.314 -6.922 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.420 -5.387 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.839 -5.663 -0.228 1.00 0.00 H new ATOM 590 N CYS A 34 5.776 -6.812 2.835 1.00 0.00 N ATOM 591 CA CYS A 34 7.005 -7.498 3.018 1.00 0.00 C ATOM 592 C CYS A 34 6.820 -8.921 2.912 1.00 0.00 C ATOM 593 O CYS A 34 5.756 -9.458 3.256 1.00 0.00 O ATOM 594 CB CYS A 34 7.624 -7.281 4.396 1.00 0.00 C ATOM 595 SG CYS A 34 9.209 -8.253 4.658 1.00 0.00 S ATOM 0 H CYS A 34 5.032 -7.087 3.477 1.00 0.00 H new ATOM 0 HA CYS A 34 7.657 -7.096 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.830 -6.219 4.531 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.901 -7.565 5.161 1.00 0.00 H new ATOM 600 N CYS A 35 7.876 -9.532 2.453 1.00 0.00 N ATOM 601 CA CYS A 35 8.100 -10.905 2.566 1.00 0.00 C ATOM 602 C CYS A 35 7.186 -11.715 1.626 1.00 0.00 C ATOM 603 O CYS A 35 6.242 -11.180 1.022 1.00 0.00 O ATOM 604 CB CYS A 35 7.910 -11.289 4.064 1.00 0.00 C ATOM 605 SG CYS A 35 8.716 -10.165 5.390 1.00 0.00 S ATOM 0 H CYS A 35 8.628 -9.041 1.969 1.00 0.00 H new ATOM 0 HA CYS A 35 9.115 -11.150 2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.839 -11.328 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.297 -12.298 4.202 1.00 0.00 H new ATOM 610 N ASP A 36 7.549 -12.942 1.405 1.00 0.00 N ATOM 611 CA ASP A 36 6.700 -13.880 0.683 1.00 0.00 C ATOM 612 C ASP A 36 5.464 -14.195 1.524 1.00 0.00 C ATOM 613 O ASP A 36 5.532 -14.911 2.528 1.00 0.00 O ATOM 614 CB ASP A 36 7.462 -15.160 0.336 1.00 0.00 C ATOM 615 CG ASP A 36 6.613 -16.185 -0.385 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.392 -16.036 -1.599 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.176 -17.171 0.249 1.00 0.00 O ATOM 0 H ASP A 36 8.438 -13.334 1.714 1.00 0.00 H new ATOM 0 HA ASP A 36 6.388 -13.423 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.320 -14.906 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.853 -15.602 1.253 1.00 0.00 H new ATOM 622 N VAL A 37 4.379 -13.602 1.149 1.00 0.00 N ATOM 623 CA VAL A 37 3.133 -13.712 1.861 1.00 0.00 C ATOM 624 C VAL A 37 2.211 -14.661 1.170 1.00 0.00 C ATOM 625 O VAL A 37 2.382 -14.943 -0.034 1.00 0.00 O ATOM 626 CB VAL A 37 2.411 -12.366 2.024 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.288 -11.363 2.740 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.944 -11.836 0.679 1.00 0.00 C ATOM 0 H VAL A 37 4.325 -13.011 0.319 1.00 0.00 H new ATOM 0 HA VAL A 37 3.392 -14.081 2.853 1.00 0.00 H new ATOM 0 HB VAL A 37 1.527 -12.528 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.753 -10.419 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.544 -11.744 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.200 -11.202 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.436 -10.882 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.804 -11.695 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.256 -12.550 0.225 1.00 0.00 H new ATOM 638 N LYS A 38 1.290 -15.205 1.946 1.00 0.00 N ATOM 639 CA LYS A 38 0.234 -16.079 1.452 1.00 0.00 C ATOM 640 C LYS A 38 -0.423 -15.433 0.237 1.00 0.00 C ATOM 641 O LYS A 38 -0.472 -16.036 -0.842 1.00 0.00 O ATOM 642 CB LYS A 38 -0.814 -16.292 2.538 1.00 0.00 C ATOM 643 CG LYS A 38 -0.237 -16.644 3.896 1.00 0.00 C ATOM 644 CD LYS A 38 0.516 -17.967 3.901 1.00 0.00 C ATOM 645 CE LYS A 38 1.178 -18.214 5.253 1.00 0.00 C ATOM 646 NZ LYS A 38 0.208 -18.228 6.373 1.00 0.00 N ATOM 0 H LYS A 38 1.252 -15.051 2.954 1.00 0.00 H new ATOM 0 HA LYS A 38 0.663 -17.042 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.412 -15.386 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.489 -17.088 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.436 -15.848 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.045 -16.690 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.172 -18.782 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.273 -17.962 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.707 -19.166 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.924 -17.440 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.680 -18.565 7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.155 -17.266 6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.582 -18.863 6.140 1.00 0.00 H new ATOM 660 N GLY A 39 -0.883 -14.181 0.418 1.00 0.00 N ATOM 661 CA GLY A 39 -1.451 -13.412 -0.694 1.00 0.00 C ATOM 662 C GLY A 39 -2.563 -14.124 -1.459 1.00 0.00 C ATOM 663 O GLY A 39 -2.549 -14.150 -2.707 1.00 0.00 O ATOM 0 H GLY A 39 -0.871 -13.690 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.841 -12.471 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.651 -13.162 -1.391 1.00 0.00 H new ATOM 667 N GLY A 40 -3.454 -14.761 -0.722 1.00 0.00 N ATOM 668 CA GLY A 40 -4.542 -15.563 -1.289 1.00 0.00 C ATOM 669 C GLY A 40 -5.528 -14.806 -2.197 1.00 0.00 C ATOM 670 O GLY A 40 -5.313 -13.659 -2.564 1.00 0.00 O ATOM 0 H GLY A 40 -3.450 -14.741 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.105 -16.381 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.103 -16.011 -0.469 1.00 0.00 H new ATOM 674 N LYS A 41 -6.629 -15.467 -2.511 1.00 0.00 N ATOM 675 CA LYS A 41 -7.646 -14.993 -3.458 1.00 0.00 C ATOM 676 C LYS A 41 -8.210 -13.609 -3.106 1.00 0.00 C ATOM 677 O LYS A 41 -8.283 -12.728 -3.972 1.00 0.00 O ATOM 678 CB LYS A 41 -8.786 -16.005 -3.555 1.00 0.00 C ATOM 679 CG LYS A 41 -8.351 -17.412 -3.935 1.00 0.00 C ATOM 680 CD LYS A 41 -7.731 -17.482 -5.321 1.00 0.00 C ATOM 681 CE LYS A 41 -7.252 -18.891 -5.606 1.00 0.00 C ATOM 682 NZ LYS A 41 -6.690 -19.040 -6.961 1.00 0.00 N ATOM 0 H LYS A 41 -6.855 -16.376 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.146 -14.893 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.302 -16.045 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.508 -15.650 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.632 -17.776 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.213 -18.078 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.462 -17.179 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.896 -16.785 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.496 -19.168 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.084 -19.584 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.379 -20.022 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.417 -18.803 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.878 -18.400 -7.072 1.00 0.00 H new ATOM 696 N ASN A 42 -8.616 -13.403 -1.861 1.00 0.00 N ATOM 697 CA ASN A 42 -9.170 -12.086 -1.479 1.00 0.00 C ATOM 698 C ASN A 42 -8.072 -11.148 -1.086 1.00 0.00 C ATOM 699 O ASN A 42 -8.269 -9.937 -0.993 1.00 0.00 O ATOM 700 CB ASN A 42 -10.235 -12.143 -0.351 1.00 0.00 C ATOM 701 CG ASN A 42 -9.741 -12.718 0.978 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.179 -12.008 1.811 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.025 -13.970 1.214 1.00 0.00 N ATOM 0 H ASN A 42 -8.581 -14.095 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.684 -11.720 -2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.611 -11.135 -0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.077 -12.742 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.780 -14.388 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.492 -14.530 0.501 1.00 0.00 H new ATOM 710 N GLU A 43 -6.906 -11.691 -0.938 1.00 0.00 N ATOM 711 CA GLU A 43 -5.782 -10.957 -0.470 1.00 0.00 C ATOM 712 C GLU A 43 -5.023 -10.393 -1.646 1.00 0.00 C ATOM 713 O GLU A 43 -5.248 -10.798 -2.784 1.00 0.00 O ATOM 714 CB GLU A 43 -4.878 -11.865 0.345 1.00 0.00 C ATOM 715 CG GLU A 43 -5.580 -12.550 1.501 1.00 0.00 C ATOM 716 CD GLU A 43 -4.642 -13.371 2.327 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.409 -14.558 2.004 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.108 -12.843 3.314 1.00 0.00 O ATOM 0 H GLU A 43 -6.709 -12.671 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.123 -10.137 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.454 -12.625 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.045 -11.279 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.054 -11.798 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.374 -13.188 1.114 1.00 0.00 H new ATOM 725 N LEU A 44 -4.171 -9.445 -1.396 1.00 0.00 N ATOM 726 CA LEU A 44 -3.392 -8.882 -2.453 1.00 0.00 C ATOM 727 C LEU A 44 -2.227 -9.766 -2.687 1.00 0.00 C ATOM 728 O LEU A 44 -1.520 -10.164 -1.747 1.00 0.00 O ATOM 729 CB LEU A 44 -2.869 -7.499 -2.111 1.00 0.00 C ATOM 730 CG LEU A 44 -2.986 -6.399 -3.183 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.500 -5.072 -2.623 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.210 -6.759 -4.440 1.00 0.00 C ATOM 0 H LEU A 44 -3.999 -9.047 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.030 -8.795 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.393 -7.154 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.816 -7.596 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.037 -6.309 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.587 -4.301 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.107 -4.797 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.458 -5.166 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.315 -5.960 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.156 -6.888 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.601 -7.688 -4.856 1.00 0.00 H new ATOM 744 N SER A 45 -2.020 -10.060 -3.889 1.00 0.00 N ATOM 745 CA SER A 45 -0.886 -10.815 -4.279 1.00 0.00 C ATOM 746 C SER A 45 0.288 -9.857 -4.486 1.00 0.00 C ATOM 747 O SER A 45 0.652 -9.503 -5.605 1.00 0.00 O ATOM 748 CB SER A 45 -1.194 -11.656 -5.516 1.00 0.00 C ATOM 749 OG SER A 45 -2.316 -12.509 -5.261 1.00 0.00 O ATOM 0 H SER A 45 -2.632 -9.788 -4.658 1.00 0.00 H new ATOM 0 HA SER A 45 -0.613 -11.524 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.407 -11.006 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.324 -12.256 -5.784 1.00 0.00 H new ATOM 0 HG SER A 45 -2.202 -12.948 -4.392 1.00 0.00 H new ATOM 755 N PHE A 46 0.772 -9.346 -3.377 1.00 0.00 N ATOM 756 CA PHE A 46 1.879 -8.439 -3.344 1.00 0.00 C ATOM 757 C PHE A 46 3.147 -9.159 -3.000 1.00 0.00 C ATOM 758 O PHE A 46 3.149 -10.372 -2.743 1.00 0.00 O ATOM 759 CB PHE A 46 1.617 -7.251 -2.395 1.00 0.00 C ATOM 760 CG PHE A 46 1.091 -7.606 -1.028 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.775 -8.452 -0.186 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.080 -7.060 -0.581 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.292 -8.738 1.062 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.569 -7.352 0.665 1.00 0.00 C ATOM 765 CZ PHE A 46 0.123 -8.193 1.486 1.00 0.00 C ATOM 0 H PHE A 46 0.392 -9.559 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 46 1.997 -8.020 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.547 -6.696 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.905 -6.578 -2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.704 -8.895 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.630 -6.386 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.843 -9.400 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.500 -6.917 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.258 -8.425 2.470 1.00 0.00 H new ATOM 775 N LYS A 47 4.195 -8.432 -2.966 1.00 0.00 N ATOM 776 CA LYS A 47 5.498 -8.956 -2.776 1.00 0.00 C ATOM 777 C LYS A 47 6.240 -8.118 -1.758 1.00 0.00 C ATOM 778 O LYS A 47 5.685 -7.202 -1.165 1.00 0.00 O ATOM 779 CB LYS A 47 6.244 -8.972 -4.117 1.00 0.00 C ATOM 780 CG LYS A 47 5.676 -9.942 -5.148 1.00 0.00 C ATOM 781 CD LYS A 47 6.343 -9.820 -6.527 1.00 0.00 C ATOM 782 CE LYS A 47 7.835 -10.224 -6.567 1.00 0.00 C ATOM 783 NZ LYS A 47 8.733 -9.306 -5.818 1.00 0.00 N ATOM 0 H LYS A 47 4.174 -7.418 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 47 5.434 -9.978 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.230 -7.966 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.288 -9.227 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.796 -10.962 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.606 -9.765 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.795 -10.440 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.252 -8.789 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.939 -11.229 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.161 -10.266 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.599 -9.141 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.247 -8.401 -5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.982 -9.734 -4.903 1.00 0.00 H new ATOM 797 N GLN A 48 7.473 -8.416 -1.611 1.00 0.00 N ATOM 798 CA GLN A 48 8.347 -7.798 -0.671 1.00 0.00 C ATOM 799 C GLN A 48 8.953 -6.584 -1.306 1.00 0.00 C ATOM 800 O GLN A 48 9.674 -6.679 -2.296 1.00 0.00 O ATOM 801 CB GLN A 48 9.441 -8.784 -0.220 1.00 0.00 C ATOM 802 CG GLN A 48 10.487 -8.160 0.689 1.00 0.00 C ATOM 803 CD GLN A 48 11.391 -9.190 1.310 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.111 -9.688 2.388 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.458 -9.516 0.658 1.00 0.00 N ATOM 0 H GLN A 48 7.932 -9.135 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 48 7.785 -7.503 0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.973 -9.620 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.935 -9.193 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.086 -7.451 0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.990 -7.594 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.660 -9.079 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.098 -10.211 1.042 1.00 0.00 H new ATOM 814 N GLY A 49 8.614 -5.460 -0.786 1.00 0.00 N ATOM 815 CA GLY A 49 9.107 -4.229 -1.323 1.00 0.00 C ATOM 816 C GLY A 49 8.040 -3.550 -2.115 1.00 0.00 C ATOM 817 O GLY A 49 8.225 -2.438 -2.620 1.00 0.00 O ATOM 0 H GLY A 49 7.993 -5.360 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.440 -3.578 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.974 -4.421 -1.956 1.00 0.00 H new ATOM 821 N GLU A 50 6.912 -4.226 -2.216 1.00 0.00 N ATOM 822 CA GLU A 50 5.767 -3.719 -2.904 1.00 0.00 C ATOM 823 C GLU A 50 5.183 -2.529 -2.195 1.00 0.00 C ATOM 824 O GLU A 50 4.816 -2.589 -1.004 1.00 0.00 O ATOM 825 CB GLU A 50 4.736 -4.813 -3.116 1.00 0.00 C ATOM 826 CG GLU A 50 5.010 -5.666 -4.324 1.00 0.00 C ATOM 827 CD GLU A 50 4.833 -4.909 -5.595 1.00 0.00 C ATOM 828 OE1 GLU A 50 3.673 -4.643 -5.963 1.00 0.00 O ATOM 829 OE2 GLU A 50 5.832 -4.546 -6.247 1.00 0.00 O ATOM 0 H GLU A 50 6.775 -5.153 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 50 6.089 -3.376 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.704 -5.449 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.750 -4.359 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.028 -6.053 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.341 -6.527 -4.319 1.00 0.00 H new ATOM 836 N GLN A 51 5.086 -1.468 -2.928 1.00 0.00 N ATOM 837 CA GLN A 51 4.616 -0.237 -2.428 1.00 0.00 C ATOM 838 C GLN A 51 3.172 -0.179 -2.711 1.00 0.00 C ATOM 839 O GLN A 51 2.723 0.088 -3.822 1.00 0.00 O ATOM 840 CB GLN A 51 5.320 0.968 -3.068 1.00 0.00 C ATOM 841 CG GLN A 51 6.826 1.045 -2.847 1.00 0.00 C ATOM 842 CD GLN A 51 7.218 0.935 -1.386 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.252 1.926 -0.660 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.585 -0.243 -0.971 1.00 0.00 N ATOM 0 H GLN A 51 5.340 -1.443 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 51 4.825 -0.182 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.129 0.950 -4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.867 1.880 -2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.311 0.247 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.198 1.988 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.543 -1.042 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.915 -0.367 -0.014 1.00 0.00 H new ATOM 853 N ILE A 52 2.486 -0.529 -1.739 1.00 0.00 N ATOM 854 CA ILE A 52 1.060 -0.527 -1.747 1.00 0.00 C ATOM 855 C ILE A 52 0.479 0.543 -0.842 1.00 0.00 C ATOM 856 O ILE A 52 1.126 1.037 0.061 1.00 0.00 O ATOM 857 CB ILE A 52 0.515 -1.876 -1.310 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.928 -2.173 0.097 1.00 0.00 C ATOM 859 CG2 ILE A 52 1.015 -2.963 -2.214 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.402 -3.459 0.560 1.00 0.00 C ATOM 0 H ILE A 52 2.890 -0.846 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 52 0.762 -0.315 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.573 -1.836 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.016 -2.181 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.575 -1.378 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.614 -3.922 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.691 -2.765 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.104 -2.993 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.725 -3.636 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.687 -3.442 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.776 -4.257 -0.081 1.00 0.00 H new ATOM 872 N GLU A 53 -0.719 0.908 -1.097 1.00 0.00 N ATOM 873 CA GLU A 53 -1.394 1.866 -0.267 1.00 0.00 C ATOM 874 C GLU A 53 -2.639 1.230 0.275 1.00 0.00 C ATOM 875 O GLU A 53 -3.332 0.545 -0.462 1.00 0.00 O ATOM 876 CB GLU A 53 -1.807 3.075 -1.073 1.00 0.00 C ATOM 877 CG GLU A 53 -0.719 3.803 -1.807 1.00 0.00 C ATOM 878 CD GLU A 53 -1.293 4.861 -2.702 1.00 0.00 C ATOM 879 OE1 GLU A 53 -2.165 4.526 -3.538 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.855 6.023 -2.650 1.00 0.00 O ATOM 0 H GLU A 53 -1.270 0.560 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.720 2.176 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.555 2.759 -1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.295 3.781 -0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.034 4.258 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.138 3.096 -2.399 1.00 0.00 H new ATOM 887 N ILE A 54 -2.932 1.421 1.538 1.00 0.00 N ATOM 888 CA ILE A 54 -4.201 0.888 2.030 1.00 0.00 C ATOM 889 C ILE A 54 -5.277 1.966 2.061 1.00 0.00 C ATOM 890 O ILE A 54 -5.104 3.039 2.650 1.00 0.00 O ATOM 891 CB ILE A 54 -4.162 0.050 3.371 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.133 0.913 4.631 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.960 -0.876 3.381 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.893 1.708 4.779 1.00 0.00 C ATOM 0 H ILE A 54 -2.353 1.912 2.220 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.461 0.132 1.289 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.090 -0.522 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.988 1.589 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.248 0.270 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.947 -1.446 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.022 -1.562 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.046 -0.287 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.945 2.295 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.035 1.038 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.786 2.377 3.925 1.00 0.00 H new ATOM 906 N ILE A 55 -6.359 1.680 1.411 1.00 0.00 N ATOM 907 CA ILE A 55 -7.455 2.612 1.265 1.00 0.00 C ATOM 908 C ILE A 55 -8.550 2.383 2.275 1.00 0.00 C ATOM 909 O ILE A 55 -9.388 3.251 2.492 1.00 0.00 O ATOM 910 CB ILE A 55 -8.062 2.675 -0.188 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.263 1.280 -0.835 1.00 0.00 C ATOM 912 CG2 ILE A 55 -7.230 3.571 -1.091 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.987 0.636 -1.366 1.00 0.00 C ATOM 0 H ILE A 55 -6.519 0.781 0.956 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.001 3.584 1.459 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.056 3.108 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.711 0.614 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.975 1.374 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.672 3.595 -2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.206 4.580 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.214 3.181 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.223 -0.335 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.546 1.277 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.278 0.505 -0.548 1.00 0.00 H new ATOM 925 N ARG A 56 -8.559 1.244 2.907 1.00 0.00 N ATOM 926 CA ARG A 56 -9.590 0.987 3.869 1.00 0.00 C ATOM 927 C ARG A 56 -9.091 0.184 5.045 1.00 0.00 C ATOM 928 O ARG A 56 -8.559 -0.932 4.888 1.00 0.00 O ATOM 929 CB ARG A 56 -10.805 0.314 3.224 1.00 0.00 C ATOM 930 CG ARG A 56 -11.939 0.055 4.198 1.00 0.00 C ATOM 931 CD ARG A 56 -13.116 -0.609 3.525 1.00 0.00 C ATOM 932 NE ARG A 56 -13.749 0.244 2.515 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.460 -0.210 1.477 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.507 -1.511 1.223 1.00 0.00 N ATOM 935 NH2 ARG A 56 -15.105 0.638 0.684 1.00 0.00 N ATOM 0 H ARG A 56 -7.880 0.494 2.778 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.904 1.958 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.170 0.942 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.494 -0.632 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.582 -0.576 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.259 0.998 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.785 -1.535 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.855 -0.880 4.279 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.640 1.254 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.001 -2.166 1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.049 -1.857 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.060 1.641 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.646 0.286 -0.106 1.00 0.00 H new ATOM 949 N ILE A 57 -9.252 0.764 6.203 1.00 0.00 N ATOM 950 CA ILE A 57 -8.968 0.134 7.458 1.00 0.00 C ATOM 951 C ILE A 57 -10.254 -0.561 7.851 1.00 0.00 C ATOM 952 O ILE A 57 -11.220 0.087 8.266 1.00 0.00 O ATOM 953 CB ILE A 57 -8.618 1.187 8.539 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.493 2.124 8.060 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.244 0.513 9.846 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.205 1.431 7.671 1.00 0.00 C ATOM 0 H ILE A 57 -9.596 1.719 6.299 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.121 -0.547 7.374 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.505 1.796 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.855 2.693 7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.277 2.842 8.851 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.002 1.272 10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.083 -0.087 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.378 -0.130 9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.475 2.174 7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.812 0.885 8.529 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.399 0.734 6.855 1.00 0.00 H new ATOM 968 N THR A 58 -10.299 -1.825 7.649 1.00 0.00 N ATOM 969 CA THR A 58 -11.490 -2.587 7.840 1.00 0.00 C ATOM 970 C THR A 58 -11.693 -2.987 9.303 1.00 0.00 C ATOM 971 O THR A 58 -10.744 -3.035 10.101 1.00 0.00 O ATOM 972 CB THR A 58 -11.396 -3.829 6.983 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.132 -4.410 7.245 1.00 0.00 O ATOM 974 CG2 THR A 58 -11.490 -3.488 5.504 1.00 0.00 C ATOM 0 H THR A 58 -9.498 -2.376 7.340 1.00 0.00 H new ATOM 0 HA THR A 58 -12.344 -1.973 7.554 1.00 0.00 H new ATOM 0 HB THR A 58 -12.216 -4.507 7.218 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.783 -4.818 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.419 -4.402 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.444 -3.000 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.675 -2.817 5.233 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.225 -9.596 8.767 1.00 0.00 N ATOM 1038 CA GLY A 63 -8.989 -9.233 9.422 1.00 0.00 C ATOM 1039 C GLY A 63 -7.954 -8.769 8.457 1.00 0.00 C ATOM 1040 O GLY A 63 -6.758 -8.921 8.695 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.184 -8.445 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.608 -10.091 9.976 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.399 -8.197 7.372 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.509 -7.779 6.328 1.00 0.00 C ATOM 1046 C LYS A 64 -7.854 -6.398 5.899 1.00 0.00 C ATOM 1047 O LYS A 64 -9.023 -6.085 5.701 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.658 -8.637 5.107 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.587 -10.112 5.291 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.266 -10.598 5.827 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.189 -12.110 5.737 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.346 -12.781 6.371 1.00 0.00 N ATOM 0 H LYS A 64 -9.385 -8.009 7.188 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.497 -7.848 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.617 -8.401 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.883 -8.349 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.380 -10.422 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.780 -10.597 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.449 -10.151 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.147 -10.281 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.133 -12.405 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.270 -12.452 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.143 -13.795 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.521 -12.362 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.189 -12.658 5.774 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.864 -5.617 5.686 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.040 -4.256 5.243 1.00 0.00 C ATOM 1068 C TRP A 65 -7.111 -4.210 3.748 1.00 0.00 C ATOM 1069 O TRP A 65 -6.681 -5.127 3.090 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.929 -3.363 5.752 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.079 -2.985 7.185 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.100 -3.313 8.031 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.192 -2.172 7.928 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.892 -2.744 9.254 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.727 -2.036 9.216 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.995 -1.545 7.626 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.104 -1.291 10.198 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.373 -0.806 8.595 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.927 -0.676 9.874 1.00 0.00 C ATOM 0 H TRP A 65 -5.890 -5.892 5.811 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.977 -3.882 5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.974 -3.871 5.617 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.896 -2.457 5.147 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.947 -3.931 7.771 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.507 -2.834 10.063 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.560 -1.638 6.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.531 -1.198 11.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.438 -0.314 8.369 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.416 -0.080 10.616 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.652 -3.171 3.214 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.806 -3.090 1.789 1.00 0.00 C ATOM 1092 C LEU A 66 -6.643 -2.284 1.232 1.00 0.00 C ATOM 1093 O LEU A 66 -6.547 -1.084 1.488 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.125 -2.398 1.466 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.826 -2.758 0.149 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -10.997 -1.844 -0.051 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.899 -2.708 -1.061 1.00 0.00 C ATOM 0 H LEU A 66 -7.997 -2.364 3.733 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.813 -4.085 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.819 -2.606 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.946 -1.323 1.466 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.160 -3.792 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.499 -2.095 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.695 -1.960 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.650 -0.812 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.458 -2.973 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.495 -1.701 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.080 -3.414 -0.922 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.784 -2.931 0.500 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.644 -2.274 -0.074 1.00 0.00 C ATOM 1111 C GLY A 67 -4.694 -2.284 -1.584 1.00 0.00 C ATOM 1112 O GLY A 67 -5.572 -2.904 -2.176 1.00 0.00 O ATOM 0 H GLY A 67 -5.852 -3.926 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.600 -1.245 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.732 -2.767 0.263 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.763 -1.610 -2.195 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.650 -1.521 -3.627 1.00 0.00 C ATOM 1118 C ARG A 68 -2.201 -1.298 -3.962 1.00 0.00 C ATOM 1119 O ARG A 68 -1.529 -0.573 -3.254 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.503 -0.370 -4.193 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.071 1.040 -3.778 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.992 2.072 -4.374 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.603 3.447 -4.064 1.00 0.00 N ATOM 1124 CZ ARG A 68 -5.403 4.507 -4.192 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -6.601 4.391 -4.764 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.978 5.685 -3.795 1.00 0.00 N ATOM 0 H ARG A 68 -3.039 -1.091 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.017 -2.444 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.486 -0.430 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.537 -0.520 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.077 1.123 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.048 1.224 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.016 1.945 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.005 1.898 -4.010 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.654 3.607 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.915 3.484 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.204 5.209 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.045 5.782 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.581 6.503 -3.888 1.00 0.00 H new ATOM 1140 N THR A 69 -1.714 -1.921 -4.985 1.00 0.00 N ATOM 1141 CA THR A 69 -0.339 -1.728 -5.387 1.00 0.00 C ATOM 1142 C THR A 69 -0.195 -0.418 -6.154 1.00 0.00 C ATOM 1143 O THR A 69 -1.198 0.268 -6.431 1.00 0.00 O ATOM 1144 CB THR A 69 0.129 -2.885 -6.276 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.738 -3.001 -7.420 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.145 -4.196 -5.502 1.00 0.00 C ATOM 0 H THR A 69 -2.241 -2.572 -5.566 1.00 0.00 H new ATOM 0 HA THR A 69 0.277 -1.695 -4.488 1.00 0.00 H new ATOM 0 HB THR A 69 1.145 -2.674 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.435 -3.741 -7.987 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.481 -5.001 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.825 -4.110 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.859 -4.417 -5.141 1.00 0.00 H new ATOM 1154 N ALA A 70 1.023 -0.084 -6.533 1.00 0.00 N ATOM 1155 CA ALA A 70 1.282 1.117 -7.309 1.00 0.00 C ATOM 1156 C ALA A 70 0.785 0.937 -8.748 1.00 0.00 C ATOM 1157 O ALA A 70 0.610 1.908 -9.494 1.00 0.00 O ATOM 1158 CB ALA A 70 2.768 1.451 -7.292 1.00 0.00 C ATOM 0 H ALA A 70 1.856 -0.631 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 70 0.739 1.948 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.945 2.353 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.092 1.616 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.332 0.623 -7.722 1.00 0.00 H new ATOM 1164 N ARG A 71 0.555 -0.317 -9.123 1.00 0.00 N ATOM 1165 CA ARG A 71 0.074 -0.664 -10.459 1.00 0.00 C ATOM 1166 C ARG A 71 -1.444 -0.626 -10.494 1.00 0.00 C ATOM 1167 O ARG A 71 -2.056 -0.527 -11.571 1.00 0.00 O ATOM 1168 CB ARG A 71 0.553 -2.051 -10.853 1.00 0.00 C ATOM 1169 CG ARG A 71 2.047 -2.224 -10.778 1.00 0.00 C ATOM 1170 CD ARG A 71 2.444 -3.654 -11.069 1.00 0.00 C ATOM 1171 NE ARG A 71 3.810 -3.918 -10.622 1.00 0.00 N ATOM 1172 CZ ARG A 71 4.106 -4.230 -9.349 1.00 0.00 C ATOM 1173 NH1 ARG A 71 3.122 -4.462 -8.494 1.00 0.00 N ATOM 1174 NH2 ARG A 71 5.368 -4.367 -8.950 1.00 0.00 N ATOM 0 H ARG A 71 0.696 -1.121 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 71 0.471 0.064 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.079 -2.787 -10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.223 -2.264 -11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.530 -1.557 -11.492 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.400 -1.940 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.756 -4.335 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.364 -3.847 -12.139 1.00 0.00 H new ATOM 0 HE ARG A 71 4.568 -3.863 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.152 -4.403 -8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.334 -4.700 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.130 -4.235 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.573 -4.604 -7.979 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.050 -0.710 -9.327 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.479 -0.641 -9.238 1.00 0.00 C ATOM 1190 C GLY A 72 -4.147 -1.978 -8.998 1.00 0.00 C ATOM 1191 O GLY A 72 -5.276 -2.181 -9.433 1.00 0.00 O ATOM 0 H GLY A 72 -1.570 -0.826 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.750 0.039 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.870 -0.212 -10.161 1.00 0.00 H new ATOM 1195 N SER A 73 -3.468 -2.885 -8.330 1.00 0.00 N ATOM 1196 CA SER A 73 -4.053 -4.149 -7.976 1.00 0.00 C ATOM 1197 C SER A 73 -4.508 -4.041 -6.531 1.00 0.00 C ATOM 1198 O SER A 73 -3.691 -3.821 -5.639 1.00 0.00 O ATOM 1199 CB SER A 73 -3.017 -5.267 -8.107 1.00 0.00 C ATOM 1200 OG SER A 73 -2.372 -5.237 -9.384 1.00 0.00 O ATOM 0 H SER A 73 -2.503 -2.764 -8.022 1.00 0.00 H new ATOM 0 HA SER A 73 -4.889 -4.383 -8.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.271 -5.167 -7.319 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.502 -6.233 -7.966 1.00 0.00 H new ATOM 0 HG SER A 73 -1.715 -5.962 -9.436 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.779 -4.126 -6.323 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.371 -4.022 -4.988 1.00 0.00 C ATOM 1208 C TYR A 74 -6.507 -5.389 -4.355 1.00 0.00 C ATOM 1209 O TYR A 74 -6.884 -6.361 -5.034 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.749 -3.358 -5.037 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.760 -1.878 -5.349 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.305 -1.382 -6.566 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.235 -0.977 -4.415 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.328 -0.032 -6.833 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.264 0.373 -4.675 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.811 0.843 -5.883 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.822 2.197 -6.137 1.00 0.00 O ATOM 0 H TYR A 74 -6.461 -4.271 -7.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.702 -3.405 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.352 -3.872 -5.786 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.238 -3.510 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.928 -2.066 -7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.590 -1.340 -3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.970 0.340 -7.781 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.641 1.060 -3.932 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.743 2.530 -6.095 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.210 -5.473 -3.080 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.315 -6.737 -2.392 1.00 0.00 C ATOM 1229 C GLY A 75 -6.336 -6.588 -0.899 1.00 0.00 C ATOM 1230 O GLY A 75 -5.916 -5.557 -0.371 1.00 0.00 O ATOM 0 H GLY A 75 -5.897 -4.691 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.223 -7.246 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.476 -7.371 -2.677 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.850 -7.594 -0.218 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.838 -7.623 1.221 1.00 0.00 C ATOM 1236 C TYR A 76 -5.447 -7.919 1.755 1.00 0.00 C ATOM 1237 O TYR A 76 -4.734 -8.791 1.263 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.862 -8.603 1.791 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.235 -8.008 2.057 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.369 -6.695 2.492 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.387 -8.767 1.919 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.602 -6.152 2.777 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.629 -8.232 2.214 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.728 -6.921 2.641 1.00 0.00 C ATOM 1245 OH TYR A 76 -12.964 -6.387 2.954 1.00 0.00 O ATOM 0 H TYR A 76 -7.285 -8.409 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.127 -6.627 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.971 -9.437 1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.472 -9.013 2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.485 -6.086 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.314 -9.789 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.681 -5.126 3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.518 -8.837 2.111 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.659 -7.061 2.802 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.070 -7.187 2.723 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.772 -7.291 3.300 1.00 0.00 C ATOM 1257 C ILE A 77 -3.862 -7.730 4.734 1.00 0.00 C ATOM 1258 O ILE A 77 -4.620 -7.152 5.510 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.098 -5.911 3.313 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.044 -5.316 1.936 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.705 -6.034 3.852 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.617 -3.896 1.932 1.00 0.00 C ATOM 0 H ILE A 77 -5.661 -6.477 3.156 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.207 -8.012 2.708 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.690 -5.254 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.356 -5.898 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.028 -5.395 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.230 -5.053 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.741 -6.428 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.129 -6.711 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.598 -3.525 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.318 -3.304 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.620 -3.815 2.366 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.121 -8.753 5.088 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.956 -9.066 6.479 1.00 0.00 C ATOM 1276 C LYS A 78 -2.209 -7.893 7.059 1.00 0.00 C ATOM 1277 O LYS A 78 -1.224 -7.451 6.473 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.088 -10.290 6.694 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.456 -11.514 5.901 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.574 -12.673 6.302 1.00 0.00 C ATOM 1281 CE LYS A 78 -1.733 -13.865 5.380 1.00 0.00 C ATOM 1282 NZ LYS A 78 -3.126 -14.311 5.257 1.00 0.00 N ATOM 0 H LYS A 78 -2.632 -9.371 4.441 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.929 -9.259 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.058 -10.025 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.115 -10.547 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.503 -11.767 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.346 -11.314 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.533 -12.351 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.813 -12.972 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.351 -13.607 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.125 -14.689 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.147 -15.292 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.590 -14.260 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.629 -13.697 4.585 1.00 0.00 H new ATOM 1296 N THR A 79 -2.594 -7.437 8.200 1.00 0.00 N ATOM 1297 CA THR A 79 -2.014 -6.231 8.773 1.00 0.00 C ATOM 1298 C THR A 79 -0.542 -6.454 9.190 1.00 0.00 C ATOM 1299 O THR A 79 0.181 -5.533 9.540 1.00 0.00 O ATOM 1300 CB THR A 79 -2.864 -5.774 9.966 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.927 -6.816 10.956 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.268 -5.497 9.498 1.00 0.00 C ATOM 0 H THR A 79 -3.315 -7.873 8.775 1.00 0.00 H new ATOM 0 HA THR A 79 -2.014 -5.448 8.015 1.00 0.00 H new ATOM 0 HB THR A 79 -2.413 -4.879 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.470 -6.515 11.714 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.876 -5.172 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.251 -4.714 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.695 -6.405 9.072 1.00 0.00 H new ATOM 1310 N THR A 80 -0.130 -7.688 9.099 1.00 0.00 N ATOM 1311 CA THR A 80 1.178 -8.117 9.446 1.00 0.00 C ATOM 1312 C THR A 80 2.013 -8.371 8.167 1.00 0.00 C ATOM 1313 O THR A 80 3.249 -8.488 8.218 1.00 0.00 O ATOM 1314 CB THR A 80 1.056 -9.407 10.271 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.339 -9.899 10.682 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.310 -10.470 9.483 1.00 0.00 C ATOM 0 H THR A 80 -0.727 -8.445 8.767 1.00 0.00 H new ATOM 0 HA THR A 80 1.684 -7.348 10.030 1.00 0.00 H new ATOM 0 HB THR A 80 0.490 -9.169 11.172 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.222 -10.719 11.206 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.232 -11.378 10.081 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.689 -10.108 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.851 -10.687 8.562 1.00 0.00 H new ATOM 1324 N ALA A 81 1.339 -8.422 7.023 1.00 0.00 N ATOM 1325 CA ALA A 81 2.015 -8.683 5.753 1.00 0.00 C ATOM 1326 C ALA A 81 2.638 -7.401 5.231 1.00 0.00 C ATOM 1327 O ALA A 81 3.473 -7.418 4.327 1.00 0.00 O ATOM 1328 CB ALA A 81 1.065 -9.312 4.705 1.00 0.00 C ATOM 0 H ALA A 81 0.331 -8.287 6.947 1.00 0.00 H new ATOM 0 HA ALA A 81 2.803 -9.414 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.611 -9.488 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.680 -10.258 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.234 -8.633 4.513 1.00 0.00 H new ATOM 1334 N VAL A 82 2.246 -6.291 5.829 1.00 0.00 N ATOM 1335 CA VAL A 82 2.759 -4.990 5.440 1.00 0.00 C ATOM 1336 C VAL A 82 3.188 -4.201 6.624 1.00 0.00 C ATOM 1337 O VAL A 82 2.713 -4.425 7.741 1.00 0.00 O ATOM 1338 CB VAL A 82 1.737 -4.130 4.642 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.381 -4.809 3.376 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.472 -3.849 5.439 1.00 0.00 C ATOM 0 H VAL A 82 1.569 -6.265 6.591 1.00 0.00 H new ATOM 0 HA VAL A 82 3.607 -5.210 4.792 1.00 0.00 H new ATOM 0 HB VAL A 82 2.217 -3.174 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.665 -4.199 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.278 -4.949 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.937 -5.780 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.209 -3.246 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.011 -4.791 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.729 -3.309 6.350 1.00 0.00 H new ATOM 1350 N GLU A 83 4.090 -3.308 6.383 1.00 0.00 N ATOM 1351 CA GLU A 83 4.497 -2.365 7.345 1.00 0.00 C ATOM 1352 C GLU A 83 3.842 -1.078 6.960 1.00 0.00 C ATOM 1353 O GLU A 83 4.088 -0.541 5.882 1.00 0.00 O ATOM 1354 CB GLU A 83 6.007 -2.204 7.368 1.00 0.00 C ATOM 1355 CG GLU A 83 6.768 -3.465 7.713 1.00 0.00 C ATOM 1356 CD GLU A 83 6.354 -4.029 9.039 1.00 0.00 C ATOM 1357 OE1 GLU A 83 6.603 -3.388 10.074 1.00 0.00 O ATOM 1358 OE2 GLU A 83 5.749 -5.116 9.070 1.00 0.00 O ATOM 0 H GLU A 83 4.570 -3.220 5.487 1.00 0.00 H new ATOM 0 HA GLU A 83 4.209 -2.686 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.337 -1.852 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.266 -1.430 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.604 -4.211 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.837 -3.250 7.729 1.00 0.00 H new ATOM 1365 N ILE A 84 2.963 -0.663 7.775 1.00 0.00 N ATOM 1366 CA ILE A 84 2.212 0.549 7.579 1.00 0.00 C ATOM 1367 C ILE A 84 3.062 1.730 8.025 1.00 0.00 C ATOM 1368 O ILE A 84 3.832 1.613 8.992 1.00 0.00 O ATOM 1369 CB ILE A 84 0.893 0.454 8.384 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.002 -0.647 7.796 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.145 1.786 8.477 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.564 -0.322 6.444 1.00 0.00 C ATOM 0 H ILE A 84 2.722 -1.159 8.633 1.00 0.00 H new ATOM 0 HA ILE A 84 1.959 0.690 6.528 1.00 0.00 H new ATOM 0 HB ILE A 84 1.158 0.194 9.409 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.581 -1.568 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.820 -0.841 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.770 1.650 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.778 2.525 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.106 2.133 7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.182 -1.151 6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.172 0.580 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.250 -0.158 5.738 1.00 0.00 H new ATOM 1384 N ASP A 85 2.976 2.828 7.295 1.00 0.00 N ATOM 1385 CA ASP A 85 3.778 3.988 7.591 1.00 0.00 C ATOM 1386 C ASP A 85 3.410 4.615 8.878 1.00 0.00 C ATOM 1387 O ASP A 85 2.242 4.910 9.179 1.00 0.00 O ATOM 1388 CB ASP A 85 3.775 5.060 6.496 1.00 0.00 C ATOM 1389 CG ASP A 85 2.623 6.078 6.562 1.00 0.00 C ATOM 1390 OD1 ASP A 85 1.491 5.791 6.121 1.00 0.00 O ATOM 1391 OD2 ASP A 85 2.845 7.207 7.076 1.00 0.00 O ATOM 0 H ASP A 85 2.356 2.935 6.492 1.00 0.00 H new ATOM 0 HA ASP A 85 4.790 3.588 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.719 5.603 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.741 4.563 5.527 1.00 0.00 H new