USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.97) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.18 F(o=-3.3!,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= 0.149 K(o=0.15,f=-1.4!) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -0.0544 (180deg=-0.325) USER MOD Single : A 39 SER OG : rot 180:sc= -0.124 USER MOD Single : A 44 TYR OH : rot 130:sc= -1.93 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -58:sc= 0.44 USER MOD Single : A 47 ASN : amide:sc= -0.863 X(o=-0.86,f=-0.92) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -6.02! C(o=-6!,f=-6.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.0905 X(o=0.09,f=-0.049) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.212 (180deg=-0.937) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 142:sc= -1.58 (180deg=-6!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.547 8.094 2.193 1.00 0.00 N ATOM 243 CA GLN A 21 6.720 6.920 2.447 1.00 0.00 C ATOM 244 C GLN A 21 6.378 6.204 1.145 1.00 0.00 C ATOM 245 O GLN A 21 6.574 4.995 1.021 1.00 0.00 O ATOM 246 CB GLN A 21 5.436 7.322 3.175 1.00 0.00 C ATOM 247 CG GLN A 21 5.638 7.602 4.655 1.00 0.00 C ATOM 248 CD GLN A 21 6.008 9.046 4.931 1.00 0.00 C ATOM 249 OE1 GLN A 21 5.489 9.964 4.295 1.00 0.00 O ATOM 250 NE2 GLN A 21 6.909 9.255 5.884 1.00 0.00 N ATOM 0 HA GLN A 21 7.288 6.236 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.021 8.211 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.700 6.526 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.724 7.356 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.422 6.950 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.313 8.464 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.197 10.206 6.114 1.00 0.00 H new ATOM 259 N GLU A 22 5.865 6.958 0.177 1.00 0.00 N ATOM 260 CA GLU A 22 5.495 6.393 -1.115 1.00 0.00 C ATOM 261 C GLU A 22 6.706 5.771 -1.805 1.00 0.00 C ATOM 262 O GLU A 22 6.572 4.848 -2.607 1.00 0.00 O ATOM 263 CB GLU A 22 4.882 7.471 -2.011 1.00 0.00 C ATOM 264 CG GLU A 22 4.084 6.912 -3.177 1.00 0.00 C ATOM 265 CD GLU A 22 3.533 7.998 -4.081 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.342 8.758 -4.654 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.295 8.089 -4.214 1.00 0.00 O ATOM 0 H GLU A 22 5.697 7.960 0.263 1.00 0.00 H new ATOM 0 HA GLU A 22 4.756 5.611 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.233 8.106 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.679 8.106 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.719 6.246 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.260 6.311 -2.793 1.00 0.00 H new ATOM 274 N LYS A 23 7.889 6.286 -1.486 1.00 0.00 N ATOM 275 CA LYS A 23 9.125 5.783 -2.073 1.00 0.00 C ATOM 276 C LYS A 23 9.553 4.479 -1.407 1.00 0.00 C ATOM 277 O LYS A 23 9.709 3.453 -2.070 1.00 0.00 O ATOM 278 CB LYS A 23 10.238 6.825 -1.940 1.00 0.00 C ATOM 279 CG LYS A 23 10.286 7.814 -3.093 1.00 0.00 C ATOM 280 CD LYS A 23 11.205 8.984 -2.785 1.00 0.00 C ATOM 281 CE LYS A 23 12.668 8.606 -2.960 1.00 0.00 C ATOM 282 NZ LYS A 23 13.579 9.634 -2.386 1.00 0.00 N ATOM 0 H LYS A 23 8.017 7.051 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 23 8.942 5.588 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.102 7.373 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.198 6.313 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.630 7.307 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.281 8.183 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.963 9.820 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.035 9.322 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.855 7.646 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.886 8.479 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.567 9.339 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.419 10.545 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.389 9.737 -1.369 1.00 0.00 H new ATOM 296 N LEU A 24 9.740 4.526 -0.092 1.00 0.00 N ATOM 297 CA LEU A 24 10.149 3.348 0.665 1.00 0.00 C ATOM 298 C LEU A 24 9.235 2.164 0.364 1.00 0.00 C ATOM 299 O LEU A 24 9.652 1.008 0.445 1.00 0.00 O ATOM 300 CB LEU A 24 10.134 3.650 2.164 1.00 0.00 C ATOM 301 CG LEU A 24 10.302 2.448 3.093 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.650 1.782 2.867 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.151 2.871 4.547 1.00 0.00 C ATOM 0 H LEU A 24 9.615 5.367 0.472 1.00 0.00 H new ATOM 0 HA LEU A 24 11.163 3.087 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.930 4.363 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.192 4.142 2.406 1.00 0.00 H new ATOM 0 HG LEU A 24 9.520 1.725 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.751 0.929 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.719 1.442 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.447 2.497 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.274 2.002 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.910 3.614 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.161 3.300 4.700 1.00 0.00 H new ATOM 315 N VAL A 25 7.987 2.460 0.016 1.00 0.00 N ATOM 316 CA VAL A 25 7.015 1.420 -0.300 1.00 0.00 C ATOM 317 C VAL A 25 7.193 0.916 -1.728 1.00 0.00 C ATOM 318 O VAL A 25 7.154 -0.288 -1.982 1.00 0.00 O ATOM 319 CB VAL A 25 5.572 1.929 -0.124 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.573 0.839 -0.482 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.350 2.420 1.299 1.00 0.00 C ATOM 0 H VAL A 25 7.625 3.411 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 25 7.192 0.600 0.396 1.00 0.00 H new ATOM 0 HB VAL A 25 5.416 2.768 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.559 1.217 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.718 0.540 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.725 -0.022 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.325 2.776 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.524 1.602 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.041 3.235 1.515 1.00 0.00 H new ATOM 331 N TYR A 26 7.390 1.845 -2.657 1.00 0.00 N ATOM 332 CA TYR A 26 7.573 1.495 -4.060 1.00 0.00 C ATOM 333 C TYR A 26 8.831 0.653 -4.252 1.00 0.00 C ATOM 334 O TYR A 26 8.929 -0.126 -5.200 1.00 0.00 O ATOM 335 CB TYR A 26 7.659 2.761 -4.916 1.00 0.00 C ATOM 336 CG TYR A 26 8.154 2.508 -6.322 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.366 1.835 -7.247 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.410 2.945 -6.725 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.816 1.602 -8.533 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.867 2.717 -8.009 1.00 0.00 C ATOM 341 CZ TYR A 26 9.066 2.045 -8.909 1.00 0.00 C ATOM 342 OH TYR A 26 9.517 1.816 -10.189 1.00 0.00 O ATOM 0 H TYR A 26 7.427 2.846 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 26 6.712 0.907 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.674 3.224 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.323 3.475 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.385 1.488 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.039 3.472 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.191 1.076 -9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.846 3.063 -8.306 1.00 0.00 H new ATOM 0 HH TYR A 26 10.416 2.193 -10.291 1.00 0.00 H new ATOM 352 N GLN A 27 9.788 0.815 -3.345 1.00 0.00 N ATOM 353 CA GLN A 27 11.039 0.069 -3.414 1.00 0.00 C ATOM 354 C GLN A 27 10.870 -1.332 -2.837 1.00 0.00 C ATOM 355 O GLN A 27 11.583 -2.261 -3.218 1.00 0.00 O ATOM 356 CB GLN A 27 12.143 0.814 -2.661 1.00 0.00 C ATOM 357 CG GLN A 27 12.686 2.019 -3.412 1.00 0.00 C ATOM 358 CD GLN A 27 13.642 1.631 -4.523 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.092 1.243 -5.669 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 14.861 1.679 -4.355 1.00 0.00 N flip ATOM 0 H GLN A 27 9.722 1.456 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 27 11.321 -0.022 -4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.756 1.142 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.962 0.124 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.855 2.584 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.198 2.679 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.241 1.983 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.491 1.415 -5.112 1.00 0.00 H new ATOM 369 N ILE A 28 9.923 -1.477 -1.916 1.00 0.00 N ATOM 370 CA ILE A 28 9.661 -2.766 -1.287 1.00 0.00 C ATOM 371 C ILE A 28 8.892 -3.689 -2.226 1.00 0.00 C ATOM 372 O ILE A 28 9.038 -4.911 -2.169 1.00 0.00 O ATOM 373 CB ILE A 28 8.864 -2.603 0.020 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.727 -1.927 1.088 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.367 -3.955 0.510 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.923 -1.193 2.139 1.00 0.00 C ATOM 0 H ILE A 28 9.325 -0.718 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 28 10.631 -3.209 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 28 7.999 -1.970 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.344 -2.681 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.405 -1.224 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.805 -3.823 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.721 -4.401 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.218 -4.611 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.599 -0.739 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.326 -0.416 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.264 -1.895 2.649 1.00 0.00 H new ATOM 388 N ILE A 29 8.074 -3.097 -3.090 1.00 0.00 N ATOM 389 CA ILE A 29 7.285 -3.867 -4.044 1.00 0.00 C ATOM 390 C ILE A 29 8.160 -4.419 -5.163 1.00 0.00 C ATOM 391 O ILE A 29 8.016 -5.573 -5.565 1.00 0.00 O ATOM 392 CB ILE A 29 6.160 -3.014 -4.660 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.232 -2.485 -3.564 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.375 -3.829 -5.678 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.323 -1.369 -4.029 1.00 0.00 C ATOM 0 H ILE A 29 7.940 -2.088 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 29 6.842 -4.696 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 29 6.609 -2.163 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.622 -3.306 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.835 -2.128 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.583 -3.213 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.044 -4.161 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.935 -4.697 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.694 -1.043 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.926 -0.531 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.694 -1.728 -4.843 1.00 0.00 H new ATOM 407 N GLU A 30 9.070 -3.587 -5.662 1.00 0.00 N ATOM 408 CA GLU A 30 9.969 -3.994 -6.734 1.00 0.00 C ATOM 409 C GLU A 30 10.956 -5.051 -6.246 1.00 0.00 C ATOM 410 O GLU A 30 11.505 -5.816 -7.039 1.00 0.00 O ATOM 411 CB GLU A 30 10.730 -2.783 -7.278 1.00 0.00 C ATOM 412 CG GLU A 30 11.825 -2.285 -6.350 1.00 0.00 C ATOM 413 CD GLU A 30 12.781 -1.328 -7.036 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.323 -0.264 -7.503 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.987 -1.643 -7.105 1.00 0.00 O ATOM 0 H GLU A 30 9.203 -2.628 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 30 9.367 -4.426 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.171 -3.044 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.024 -1.973 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.371 -1.787 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.384 -3.137 -5.964 1.00 0.00 H new ATOM 422 N ASP A 31 11.176 -5.085 -4.936 1.00 0.00 N ATOM 423 CA ASP A 31 12.095 -6.048 -4.341 1.00 0.00 C ATOM 424 C ASP A 31 11.491 -7.448 -4.339 1.00 0.00 C ATOM 425 O ASP A 31 12.180 -8.433 -4.601 1.00 0.00 O ATOM 426 CB ASP A 31 12.450 -5.630 -2.913 1.00 0.00 C ATOM 427 CG ASP A 31 13.838 -6.085 -2.504 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.976 -7.243 -2.058 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.785 -5.282 -2.631 1.00 0.00 O ATOM 0 H ASP A 31 10.731 -4.457 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 31 13.003 -6.066 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.387 -4.545 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.716 -6.046 -2.223 1.00 0.00 H new ATOM 434 N ALA A 32 10.198 -7.529 -4.042 1.00 0.00 N ATOM 435 CA ALA A 32 9.500 -8.808 -4.007 1.00 0.00 C ATOM 436 C ALA A 32 9.694 -9.575 -5.310 1.00 0.00 C ATOM 437 O ALA A 32 9.682 -10.805 -5.326 1.00 0.00 O ATOM 438 CB ALA A 32 8.019 -8.594 -3.734 1.00 0.00 C ATOM 0 H ALA A 32 9.613 -6.723 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 32 9.925 -9.403 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.510 -9.558 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.895 -8.095 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.589 -7.976 -4.522 1.00 0.00 H new ATOM 444 N GLY A 33 9.874 -8.839 -6.404 1.00 0.00 N ATOM 445 CA GLY A 33 10.067 -9.468 -7.697 1.00 0.00 C ATOM 446 C GLY A 33 8.757 -9.801 -8.382 1.00 0.00 C ATOM 447 O GLY A 33 7.686 -9.431 -7.901 1.00 0.00 O ATOM 0 H GLY A 33 9.889 -7.819 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.649 -8.805 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.649 -10.381 -7.570 1.00 0.00 H new ATOM 451 N ASN A 34 8.840 -10.501 -9.508 1.00 0.00 N ATOM 452 CA ASN A 34 7.651 -10.883 -10.262 1.00 0.00 C ATOM 453 C ASN A 34 6.631 -11.567 -9.357 1.00 0.00 C ATOM 454 O ASN A 34 5.423 -11.398 -9.526 1.00 0.00 O ATOM 455 CB ASN A 34 8.030 -11.812 -11.417 1.00 0.00 C ATOM 456 CG ASN A 34 9.280 -11.353 -12.142 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.399 -11.629 -11.709 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.095 -10.647 -13.251 1.00 0.00 N ATOM 0 H ASN A 34 9.719 -10.816 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 34 7.201 -9.977 -10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.186 -12.820 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.202 -11.865 -12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.899 -10.310 -13.781 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.149 -10.442 -13.573 1.00 0.00 H new ATOM 465 N LYS A 35 7.124 -12.340 -8.396 1.00 0.00 N ATOM 466 CA LYS A 35 6.257 -13.049 -7.463 1.00 0.00 C ATOM 467 C LYS A 35 5.259 -12.095 -6.815 1.00 0.00 C ATOM 468 O LYS A 35 4.158 -12.495 -6.439 1.00 0.00 O ATOM 469 CB LYS A 35 7.093 -13.740 -6.383 1.00 0.00 C ATOM 470 CG LYS A 35 7.902 -14.917 -6.899 1.00 0.00 C ATOM 471 CD LYS A 35 8.943 -15.366 -5.888 1.00 0.00 C ATOM 472 CE LYS A 35 10.208 -14.527 -5.980 1.00 0.00 C ATOM 473 NZ LYS A 35 10.954 -14.786 -7.243 1.00 0.00 N ATOM 0 H LYS A 35 8.121 -12.492 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 35 5.702 -13.802 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.771 -13.011 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.431 -14.085 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.233 -15.747 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.395 -14.640 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.530 -15.294 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.188 -16.415 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.948 -13.470 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.851 -14.744 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.941 -14.479 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.930 -15.803 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.512 -14.257 -8.022 1.00 0.00 H new ATOM 487 N GLY A 36 5.651 -10.831 -6.690 1.00 0.00 N ATOM 488 CA GLY A 36 4.778 -9.839 -6.089 1.00 0.00 C ATOM 489 C GLY A 36 4.865 -9.832 -4.575 1.00 0.00 C ATOM 490 O GLY A 36 5.661 -10.565 -3.989 1.00 0.00 O ATOM 0 H GLY A 36 6.558 -10.476 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.039 -8.851 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.749 -10.035 -6.390 1.00 0.00 H new ATOM 494 N ILE A 37 4.046 -8.999 -3.941 1.00 0.00 N ATOM 495 CA ILE A 37 4.034 -8.899 -2.487 1.00 0.00 C ATOM 496 C ILE A 37 2.627 -8.628 -1.966 1.00 0.00 C ATOM 497 O ILE A 37 1.818 -7.987 -2.638 1.00 0.00 O ATOM 498 CB ILE A 37 4.977 -7.786 -1.993 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.024 -7.770 -0.463 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.527 -6.435 -2.528 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.905 -6.678 0.103 1.00 0.00 C ATOM 0 H ILE A 37 3.382 -8.384 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 37 4.382 -9.857 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 37 5.981 -7.987 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.012 -7.645 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.383 -8.736 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.203 -5.658 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.539 -6.453 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.516 -6.224 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.891 -6.727 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.926 -6.813 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.534 -5.706 -0.222 1.00 0.00 H new ATOM 513 N TRP A 38 2.343 -9.117 -0.765 1.00 0.00 N ATOM 514 CA TRP A 38 1.034 -8.925 -0.152 1.00 0.00 C ATOM 515 C TRP A 38 0.936 -7.553 0.506 1.00 0.00 C ATOM 516 O TRP A 38 1.826 -7.149 1.254 1.00 0.00 O ATOM 517 CB TRP A 38 0.766 -10.021 0.882 1.00 0.00 C ATOM 518 CG TRP A 38 -0.684 -10.170 1.228 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.749 -9.996 0.390 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.229 -10.522 2.504 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.922 -10.219 1.069 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.631 -10.543 2.367 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.670 -10.822 3.749 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.478 -10.852 3.428 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.511 -11.128 4.801 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.903 -11.142 4.636 1.00 0.00 C ATOM 0 H TRP A 38 3.001 -9.649 -0.196 1.00 0.00 H new ATOM 0 HA TRP A 38 0.281 -8.984 -0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.140 -10.971 0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.328 -9.799 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.679 -9.723 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.859 -10.154 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.401 -10.815 3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.551 -10.863 3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.089 -11.361 5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.534 -11.386 5.478 1.00 0.00 H new ATOM 537 N SER A 39 -0.151 -6.842 0.224 1.00 0.00 N ATOM 538 CA SER A 39 -0.363 -5.514 0.786 1.00 0.00 C ATOM 539 C SER A 39 0.144 -5.445 2.223 1.00 0.00 C ATOM 540 O SER A 39 0.839 -4.503 2.604 1.00 0.00 O ATOM 541 CB SER A 39 -1.847 -5.147 0.738 1.00 0.00 C ATOM 542 OG SER A 39 -2.598 -5.943 1.638 1.00 0.00 O ATOM 0 H SER A 39 -0.899 -7.164 -0.391 1.00 0.00 H new ATOM 0 HA SER A 39 0.200 -4.799 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.973 -4.093 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.226 -5.282 -0.275 1.00 0.00 H new ATOM 0 HG SER A 39 -3.543 -5.688 1.590 1.00 0.00 H new ATOM 548 N ARG A 40 -0.210 -6.450 3.017 1.00 0.00 N ATOM 549 CA ARG A 40 0.207 -6.504 4.413 1.00 0.00 C ATOM 550 C ARG A 40 1.727 -6.559 4.525 1.00 0.00 C ATOM 551 O ARG A 40 2.342 -5.720 5.184 1.00 0.00 O ATOM 552 CB ARG A 40 -0.410 -7.721 5.105 1.00 0.00 C ATOM 553 CG ARG A 40 -1.868 -7.529 5.489 1.00 0.00 C ATOM 554 CD ARG A 40 -2.239 -8.364 6.705 1.00 0.00 C ATOM 555 NE ARG A 40 -1.442 -8.008 7.876 1.00 0.00 N ATOM 556 CZ ARG A 40 -1.610 -8.559 9.074 1.00 0.00 C ATOM 557 NH1 ARG A 40 -2.539 -9.486 9.256 1.00 0.00 N ATOM 558 NH2 ARG A 40 -0.845 -8.183 10.091 1.00 0.00 N ATOM 0 H ARG A 40 -0.785 -7.238 2.718 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.144 -5.597 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.328 -8.584 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.166 -7.949 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.054 -6.476 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.506 -7.804 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.296 -8.226 6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.097 -9.420 6.477 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.717 -7.298 7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.127 -9.778 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.666 -9.907 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.128 -7.471 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.974 -8.606 11.010 1.00 0.00 H new ATOM 572 N ASP A 41 2.327 -7.552 3.877 1.00 0.00 N ATOM 573 CA ASP A 41 3.776 -7.716 3.903 1.00 0.00 C ATOM 574 C ASP A 41 4.478 -6.364 3.828 1.00 0.00 C ATOM 575 O ASP A 41 5.578 -6.193 4.353 1.00 0.00 O ATOM 576 CB ASP A 41 4.231 -8.605 2.744 1.00 0.00 C ATOM 577 CG ASP A 41 5.484 -9.391 3.075 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.581 -8.795 3.053 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.368 -10.603 3.355 1.00 0.00 O ATOM 0 H ASP A 41 1.833 -8.255 3.328 1.00 0.00 H new ATOM 0 HA ASP A 41 4.045 -8.193 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.430 -9.297 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.415 -7.986 1.866 1.00 0.00 H new ATOM 584 N VAL A 42 3.834 -5.404 3.170 1.00 0.00 N ATOM 585 CA VAL A 42 4.396 -4.067 3.026 1.00 0.00 C ATOM 586 C VAL A 42 4.345 -3.304 4.345 1.00 0.00 C ATOM 587 O VAL A 42 5.347 -2.744 4.789 1.00 0.00 O ATOM 588 CB VAL A 42 3.651 -3.258 1.948 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.357 -1.936 1.689 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.527 -4.066 0.666 1.00 0.00 C ATOM 0 H VAL A 42 2.923 -5.528 2.729 1.00 0.00 H new ATOM 0 HA VAL A 42 5.435 -4.192 2.722 1.00 0.00 H new ATOM 0 HB VAL A 42 2.647 -3.041 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.816 -1.378 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.388 -1.353 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.374 -2.128 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.998 -3.479 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.521 -4.316 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.973 -4.983 0.866 1.00 0.00 H new ATOM 600 N ARG A 43 3.171 -3.287 4.967 1.00 0.00 N ATOM 601 CA ARG A 43 2.988 -2.592 6.235 1.00 0.00 C ATOM 602 C ARG A 43 4.219 -2.750 7.124 1.00 0.00 C ATOM 603 O ARG A 43 4.714 -1.777 7.694 1.00 0.00 O ATOM 604 CB ARG A 43 1.751 -3.126 6.960 1.00 0.00 C ATOM 605 CG ARG A 43 0.473 -2.380 6.614 1.00 0.00 C ATOM 606 CD ARG A 43 -0.721 -2.937 7.373 1.00 0.00 C ATOM 607 NE ARG A 43 -0.607 -2.714 8.812 1.00 0.00 N ATOM 608 CZ ARG A 43 0.053 -3.525 9.631 1.00 0.00 C ATOM 609 NH1 ARG A 43 0.656 -4.606 9.156 1.00 0.00 N ATOM 610 NH2 ARG A 43 0.113 -3.254 10.929 1.00 0.00 N ATOM 0 H ARG A 43 2.332 -3.747 4.613 1.00 0.00 H new ATOM 0 HA ARG A 43 2.847 -1.532 6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.624 -4.180 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.917 -3.066 8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.593 -1.322 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.289 -2.450 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.635 -2.470 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.808 -4.006 7.178 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.059 -1.891 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.614 -4.817 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.162 -5.227 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.348 -2.422 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.620 -3.877 11.557 1.00 0.00 H new ATOM 624 N TYR A 44 4.707 -3.980 7.236 1.00 0.00 N ATOM 625 CA TYR A 44 5.878 -4.265 8.057 1.00 0.00 C ATOM 626 C TYR A 44 7.132 -3.638 7.455 1.00 0.00 C ATOM 627 O TYR A 44 7.840 -2.880 8.117 1.00 0.00 O ATOM 628 CB TYR A 44 6.069 -5.776 8.202 1.00 0.00 C ATOM 629 CG TYR A 44 4.771 -6.544 8.304 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.070 -6.918 7.164 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.245 -6.896 9.541 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.883 -7.618 7.253 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.059 -7.598 9.640 1.00 0.00 C ATOM 634 CZ TYR A 44 2.382 -7.957 8.493 1.00 0.00 C ATOM 635 OH TYR A 44 1.200 -8.656 8.586 1.00 0.00 O ATOM 0 H TYR A 44 4.310 -4.795 6.769 1.00 0.00 H new ATOM 0 HA TYR A 44 5.714 -3.829 9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.634 -6.146 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.669 -5.974 9.090 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.460 -6.657 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.772 -6.616 10.441 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.350 -7.899 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.664 -7.864 10.610 1.00 0.00 H new ATOM 0 HH TYR A 44 1.322 -9.428 9.178 1.00 0.00 H new ATOM 645 N LYS A 45 7.399 -3.960 6.194 1.00 0.00 N ATOM 646 CA LYS A 45 8.565 -3.428 5.499 1.00 0.00 C ATOM 647 C LYS A 45 8.572 -1.903 5.535 1.00 0.00 C ATOM 648 O LYS A 45 9.473 -1.291 6.108 1.00 0.00 O ATOM 649 CB LYS A 45 8.585 -3.914 4.048 1.00 0.00 C ATOM 650 CG LYS A 45 8.730 -5.420 3.913 1.00 0.00 C ATOM 651 CD LYS A 45 9.832 -5.957 4.810 1.00 0.00 C ATOM 652 CE LYS A 45 10.231 -7.371 4.417 1.00 0.00 C ATOM 653 NZ LYS A 45 11.651 -7.662 4.758 1.00 0.00 N ATOM 0 H LYS A 45 6.823 -4.587 5.632 1.00 0.00 H new ATOM 0 HA LYS A 45 9.457 -3.790 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.664 -3.600 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.408 -3.430 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.786 -5.901 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.948 -5.674 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.702 -5.303 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.496 -5.948 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.582 -8.085 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.080 -7.507 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.884 -8.635 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.272 -6.997 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.790 -7.558 5.783 1.00 0.00 H new ATOM 667 N SER A 46 7.560 -1.297 4.923 1.00 0.00 N ATOM 668 CA SER A 46 7.452 0.157 4.883 1.00 0.00 C ATOM 669 C SER A 46 7.283 0.727 6.288 1.00 0.00 C ATOM 670 O SER A 46 7.529 1.909 6.524 1.00 0.00 O ATOM 671 CB SER A 46 6.271 0.578 4.005 1.00 0.00 C ATOM 672 OG SER A 46 5.040 0.173 4.578 1.00 0.00 O ATOM 0 H SER A 46 6.803 -1.790 4.448 1.00 0.00 H new ATOM 0 HA SER A 46 8.373 0.554 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.277 1.660 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.376 0.138 3.013 1.00 0.00 H new ATOM 0 HG SER A 46 5.043 -0.799 4.707 1.00 0.00 H new ATOM 678 N ASN A 47 6.862 -0.123 7.219 1.00 0.00 N ATOM 679 CA ASN A 47 6.660 0.295 8.601 1.00 0.00 C ATOM 680 C ASN A 47 5.570 1.358 8.694 1.00 0.00 C ATOM 681 O ASN A 47 5.571 2.186 9.606 1.00 0.00 O ATOM 682 CB ASN A 47 7.966 0.834 9.189 1.00 0.00 C ATOM 683 CG ASN A 47 7.830 1.209 10.652 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.337 0.424 11.462 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.268 2.414 10.997 1.00 0.00 N ATOM 0 H ASN A 47 6.654 -1.106 7.041 1.00 0.00 H new ATOM 0 HA ASN A 47 6.343 -0.576 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.748 0.082 9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.284 1.708 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.203 2.722 11.967 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.670 3.032 10.292 1.00 0.00 H new ATOM 692 N LEU A 48 4.641 1.329 7.745 1.00 0.00 N ATOM 693 CA LEU A 48 3.543 2.290 7.719 1.00 0.00 C ATOM 694 C LEU A 48 2.212 1.603 8.004 1.00 0.00 C ATOM 695 O LEU A 48 2.050 0.400 7.800 1.00 0.00 O ATOM 696 CB LEU A 48 3.488 2.994 6.363 1.00 0.00 C ATOM 697 CG LEU A 48 4.544 4.074 6.123 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.585 4.463 4.653 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.268 5.292 6.992 1.00 0.00 C ATOM 0 H LEU A 48 4.626 0.651 6.983 1.00 0.00 H new ATOM 0 HA LEU A 48 3.722 3.031 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.584 2.241 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.503 3.446 6.251 1.00 0.00 H new ATOM 0 HG LEU A 48 5.518 3.670 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.342 5.232 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.831 3.588 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.611 4.848 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.029 6.050 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.286 5.697 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.291 5.002 8.043 1.00 0.00 H new ATOM 711 N PRO A 49 1.233 2.384 8.484 1.00 0.00 N ATOM 712 CA PRO A 49 -0.103 1.873 8.803 1.00 0.00 C ATOM 713 C PRO A 49 -0.890 1.487 7.556 1.00 0.00 C ATOM 714 O PRO A 49 -0.610 1.971 6.458 1.00 0.00 O ATOM 715 CB PRO A 49 -0.773 3.052 9.515 1.00 0.00 C ATOM 716 CG PRO A 49 -0.064 4.257 9.001 1.00 0.00 C ATOM 717 CD PRO A 49 1.355 3.827 8.751 1.00 0.00 C ATOM 0 HA PRO A 49 -0.059 0.964 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.839 3.095 9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.677 2.968 10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.528 4.622 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.103 5.071 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.792 4.357 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.992 4.024 9.613 1.00 0.00 H new ATOM 725 N LEU A 50 -1.876 0.614 7.730 1.00 0.00 N ATOM 726 CA LEU A 50 -2.705 0.163 6.617 1.00 0.00 C ATOM 727 C LEU A 50 -3.193 1.347 5.788 1.00 0.00 C ATOM 728 O LEU A 50 -3.094 1.342 4.560 1.00 0.00 O ATOM 729 CB LEU A 50 -3.900 -0.638 7.137 1.00 0.00 C ATOM 730 CG LEU A 50 -4.575 -1.567 6.128 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.963 -0.800 4.873 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.661 -2.733 5.782 1.00 0.00 C ATOM 0 H LEU A 50 -2.121 0.204 8.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.097 -0.478 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.569 -1.236 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.646 0.063 7.511 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.483 -1.966 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.442 -1.477 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.655 0.000 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.070 -0.372 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.158 -3.384 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.735 -2.354 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.434 -3.298 6.686 1.00 0.00 H new ATOM 744 N THR A 51 -3.720 2.361 6.467 1.00 0.00 N ATOM 745 CA THR A 51 -4.222 3.552 5.793 1.00 0.00 C ATOM 746 C THR A 51 -3.165 4.152 4.873 1.00 0.00 C ATOM 747 O THR A 51 -3.490 4.836 3.903 1.00 0.00 O ATOM 748 CB THR A 51 -4.672 4.622 6.806 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.278 5.723 6.119 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.492 5.119 7.628 1.00 0.00 C ATOM 0 H THR A 51 -3.810 2.381 7.483 1.00 0.00 H new ATOM 0 HA THR A 51 -5.081 3.240 5.198 1.00 0.00 H new ATOM 0 HB THR A 51 -5.400 4.170 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.563 6.398 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.834 5.874 8.336 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.050 4.284 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.745 5.556 6.965 1.00 0.00 H new ATOM 758 N GLU A 52 -1.899 3.889 5.184 1.00 0.00 N ATOM 759 CA GLU A 52 -0.795 4.404 4.384 1.00 0.00 C ATOM 760 C GLU A 52 -0.468 3.456 3.234 1.00 0.00 C ATOM 761 O GLU A 52 -0.344 3.878 2.084 1.00 0.00 O ATOM 762 CB GLU A 52 0.445 4.610 5.257 1.00 0.00 C ATOM 763 CG GLU A 52 0.453 5.936 5.999 1.00 0.00 C ATOM 764 CD GLU A 52 0.572 7.126 5.066 1.00 0.00 C ATOM 765 OE1 GLU A 52 0.481 6.926 3.836 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.757 8.255 5.564 1.00 0.00 O ATOM 0 H GLU A 52 -1.614 3.323 5.983 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.100 5.364 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.508 3.798 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.335 4.549 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.463 6.027 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.283 5.948 6.705 1.00 0.00 H new ATOM 773 N ILE A 53 -0.329 2.174 3.553 1.00 0.00 N ATOM 774 CA ILE A 53 -0.017 1.166 2.547 1.00 0.00 C ATOM 775 C ILE A 53 -1.110 1.091 1.487 1.00 0.00 C ATOM 776 O ILE A 53 -0.837 0.831 0.316 1.00 0.00 O ATOM 777 CB ILE A 53 0.164 -0.226 3.182 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.546 -0.340 3.829 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.029 -1.314 2.136 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.766 0.639 4.960 1.00 0.00 C ATOM 0 H ILE A 53 -0.427 1.808 4.500 1.00 0.00 H new ATOM 0 HA ILE A 53 0.920 1.467 2.078 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.591 -0.357 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.679 -1.354 4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.309 -0.180 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.102 -2.292 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.033 -1.242 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.706 -1.188 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.766 0.501 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.665 1.657 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.026 0.465 5.741 1.00 0.00 H new ATOM 792 N ASN A 54 -2.350 1.322 1.906 1.00 0.00 N ATOM 793 CA ASN A 54 -3.486 1.282 0.992 1.00 0.00 C ATOM 794 C ASN A 54 -3.433 2.446 0.007 1.00 0.00 C ATOM 795 O ASN A 54 -3.493 2.250 -1.207 1.00 0.00 O ATOM 796 CB ASN A 54 -4.800 1.321 1.776 1.00 0.00 C ATOM 797 CG ASN A 54 -5.298 -0.064 2.139 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.581 -1.053 1.987 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.532 -0.141 2.623 1.00 0.00 N ATOM 0 H ASN A 54 -2.594 1.539 2.872 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.435 0.350 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.660 1.904 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.558 1.833 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.921 -1.046 2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.091 0.705 2.732 1.00 0.00 H new ATOM 806 N LYS A 55 -3.320 3.659 0.539 1.00 0.00 N ATOM 807 CA LYS A 55 -3.257 4.856 -0.291 1.00 0.00 C ATOM 808 C LYS A 55 -1.981 4.871 -1.127 1.00 0.00 C ATOM 809 O LYS A 55 -1.993 5.287 -2.286 1.00 0.00 O ATOM 810 CB LYS A 55 -3.323 6.111 0.582 1.00 0.00 C ATOM 811 CG LYS A 55 -2.055 6.364 1.379 1.00 0.00 C ATOM 812 CD LYS A 55 -2.067 7.741 2.023 1.00 0.00 C ATOM 813 CE LYS A 55 -2.915 7.758 3.286 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.834 9.068 3.990 1.00 0.00 N ATOM 0 H LYS A 55 -3.270 3.839 1.542 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.113 4.846 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.522 6.975 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.163 6.021 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.951 5.601 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.188 6.275 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.047 8.040 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.454 8.472 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.953 7.547 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.585 6.964 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.425 9.040 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.847 9.258 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.173 9.822 3.360 1.00 0.00 H new ATOM 828 N ILE A 56 -0.884 4.415 -0.533 1.00 0.00 N ATOM 829 CA ILE A 56 0.398 4.375 -1.224 1.00 0.00 C ATOM 830 C ILE A 56 0.387 3.338 -2.343 1.00 0.00 C ATOM 831 O ILE A 56 0.690 3.649 -3.496 1.00 0.00 O ATOM 832 CB ILE A 56 1.551 4.054 -0.254 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.765 5.216 0.719 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.828 3.762 -1.028 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.382 4.795 2.035 1.00 0.00 C ATOM 0 H ILE A 56 -0.857 4.068 0.426 1.00 0.00 H new ATOM 0 HA ILE A 56 0.558 5.365 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 56 1.287 3.167 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.406 5.961 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.807 5.698 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.634 3.537 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.668 2.907 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.099 4.633 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.505 5.669 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.731 4.073 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.355 4.340 1.851 1.00 0.00 H new ATOM 847 N LEU A 57 0.035 2.105 -1.996 1.00 0.00 N ATOM 848 CA LEU A 57 -0.018 1.021 -2.971 1.00 0.00 C ATOM 849 C LEU A 57 -0.857 1.418 -4.181 1.00 0.00 C ATOM 850 O LEU A 57 -0.586 0.993 -5.305 1.00 0.00 O ATOM 851 CB LEU A 57 -0.594 -0.241 -2.329 1.00 0.00 C ATOM 852 CG LEU A 57 0.377 -1.070 -1.488 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.276 -2.369 -1.042 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.652 -1.353 -2.269 1.00 0.00 C ATOM 0 H LEU A 57 -0.218 1.831 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 57 0.999 0.818 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.434 0.048 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.993 -0.877 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 57 0.639 -0.495 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.431 -2.945 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.159 -2.146 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.568 -2.949 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.331 -1.944 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.408 -1.907 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.131 -0.411 -2.537 1.00 0.00 H new ATOM 866 N LYS A 58 -1.875 2.239 -3.945 1.00 0.00 N ATOM 867 CA LYS A 58 -2.752 2.697 -5.016 1.00 0.00 C ATOM 868 C LYS A 58 -2.093 3.814 -5.819 1.00 0.00 C ATOM 869 O LYS A 58 -1.900 3.692 -7.027 1.00 0.00 O ATOM 870 CB LYS A 58 -4.083 3.186 -4.438 1.00 0.00 C ATOM 871 CG LYS A 58 -5.137 2.098 -4.332 1.00 0.00 C ATOM 872 CD LYS A 58 -5.992 2.025 -5.586 1.00 0.00 C ATOM 873 CE LYS A 58 -5.407 1.060 -6.605 1.00 0.00 C ATOM 874 NZ LYS A 58 -6.281 0.921 -7.802 1.00 0.00 N ATOM 0 H LYS A 58 -2.113 2.601 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.939 1.856 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.907 3.607 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.467 3.992 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.653 1.136 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.773 2.289 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.001 1.709 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.075 3.017 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.422 1.410 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.267 0.083 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.848 0.255 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.213 0.563 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.394 1.848 -8.259 1.00 0.00 H new ATOM 888 N ASN A 59 -1.749 4.903 -5.138 1.00 0.00 N ATOM 889 CA ASN A 59 -1.111 6.041 -5.788 1.00 0.00 C ATOM 890 C ASN A 59 -0.126 5.575 -6.857 1.00 0.00 C ATOM 891 O ASN A 59 -0.054 6.150 -7.944 1.00 0.00 O ATOM 892 CB ASN A 59 -0.387 6.906 -4.754 1.00 0.00 C ATOM 893 CG ASN A 59 -1.275 7.999 -4.192 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.718 8.890 -4.917 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.540 7.935 -2.892 1.00 0.00 N ATOM 0 H ASN A 59 -1.902 5.021 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.888 6.635 -6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.033 6.274 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.493 7.357 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.132 8.642 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.151 7.178 -2.329 1.00 0.00 H new ATOM 902 N LEU A 60 0.630 4.530 -6.540 1.00 0.00 N ATOM 903 CA LEU A 60 1.611 3.985 -7.473 1.00 0.00 C ATOM 904 C LEU A 60 0.924 3.361 -8.683 1.00 0.00 C ATOM 905 O LEU A 60 1.311 3.608 -9.824 1.00 0.00 O ATOM 906 CB LEU A 60 2.485 2.943 -6.774 1.00 0.00 C ATOM 907 CG LEU A 60 3.367 3.459 -5.637 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.042 2.302 -4.916 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.405 4.436 -6.169 1.00 0.00 C ATOM 0 H LEU A 60 0.583 4.043 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 60 2.241 4.805 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.837 2.161 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.127 2.476 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 60 2.734 3.985 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.665 2.689 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.283 1.639 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.662 1.747 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.024 4.793 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.034 3.934 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.902 5.282 -6.638 1.00 0.00 H new ATOM 921 N GLU A 61 -0.100 2.553 -8.424 1.00 0.00 N ATOM 922 CA GLU A 61 -0.842 1.895 -9.493 1.00 0.00 C ATOM 923 C GLU A 61 -1.384 2.916 -10.488 1.00 0.00 C ATOM 924 O GLU A 61 -1.751 2.571 -11.611 1.00 0.00 O ATOM 925 CB GLU A 61 -1.993 1.071 -8.912 1.00 0.00 C ATOM 926 CG GLU A 61 -1.556 -0.268 -8.341 1.00 0.00 C ATOM 927 CD GLU A 61 -2.726 -1.188 -8.052 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.690 -0.735 -7.401 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.677 -2.362 -8.476 1.00 0.00 O ATOM 0 H GLU A 61 -0.434 2.339 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.158 1.230 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.482 1.649 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.735 0.899 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.880 -0.755 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.994 -0.101 -7.422 1.00 0.00 H new ATOM 936 N SER A 62 -1.432 4.176 -10.067 1.00 0.00 N ATOM 937 CA SER A 62 -1.933 5.248 -10.918 1.00 0.00 C ATOM 938 C SER A 62 -0.794 5.906 -11.691 1.00 0.00 C ATOM 939 O SER A 62 -0.989 6.413 -12.796 1.00 0.00 O ATOM 940 CB SER A 62 -2.666 6.296 -10.077 1.00 0.00 C ATOM 941 OG SER A 62 -3.660 6.957 -10.840 1.00 0.00 O ATOM 0 H SER A 62 -1.130 4.479 -9.141 1.00 0.00 H new ATOM 0 HA SER A 62 -2.631 4.814 -11.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.125 5.817 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.951 7.025 -9.695 1.00 0.00 H new ATOM 0 HG SER A 62 -4.115 7.620 -10.280 1.00 0.00 H new ATOM 947 N LYS A 63 0.396 5.895 -11.101 1.00 0.00 N ATOM 948 CA LYS A 63 1.569 6.489 -11.732 1.00 0.00 C ATOM 949 C LYS A 63 2.256 5.487 -12.654 1.00 0.00 C ATOM 950 O LYS A 63 3.398 5.690 -13.067 1.00 0.00 O ATOM 951 CB LYS A 63 2.554 6.977 -10.667 1.00 0.00 C ATOM 952 CG LYS A 63 1.930 7.908 -9.642 1.00 0.00 C ATOM 953 CD LYS A 63 2.755 7.968 -8.368 1.00 0.00 C ATOM 954 CE LYS A 63 2.623 9.318 -7.681 1.00 0.00 C ATOM 955 NZ LYS A 63 3.071 10.434 -8.561 1.00 0.00 N ATOM 0 H LYS A 63 0.574 5.481 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 63 1.239 7.339 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.976 6.114 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.381 7.492 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.839 8.908 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.921 7.569 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.433 7.179 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.803 7.779 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.584 9.478 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.213 9.319 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.449 11.207 -7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.813 10.092 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.264 10.783 -9.117 1.00 0.00 H new ATOM 969 N LYS A 64 1.553 4.407 -12.976 1.00 0.00 N ATOM 970 CA LYS A 64 2.093 3.374 -13.852 1.00 0.00 C ATOM 971 C LYS A 64 3.403 2.822 -13.299 1.00 0.00 C ATOM 972 O LYS A 64 4.249 2.333 -14.049 1.00 0.00 O ATOM 973 CB LYS A 64 2.318 3.936 -15.258 1.00 0.00 C ATOM 974 CG LYS A 64 1.083 4.584 -15.859 1.00 0.00 C ATOM 975 CD LYS A 64 0.201 3.562 -16.557 1.00 0.00 C ATOM 976 CE LYS A 64 -1.094 4.188 -17.051 1.00 0.00 C ATOM 977 NZ LYS A 64 -0.879 5.025 -18.263 1.00 0.00 N ATOM 0 H LYS A 64 0.606 4.224 -12.643 1.00 0.00 H new ATOM 0 HA LYS A 64 1.369 2.561 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.122 4.671 -15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.651 3.131 -15.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.514 5.082 -15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.384 5.353 -16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.741 3.128 -17.399 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.027 2.747 -15.870 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.815 3.402 -17.276 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.527 4.800 -16.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.785 5.434 -18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.211 5.791 -18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.490 4.436 -19.027 1.00 0.00 H new ATOM 991 N LEU A 65 3.563 2.900 -11.982 1.00 0.00 N ATOM 992 CA LEU A 65 4.770 2.406 -11.328 1.00 0.00 C ATOM 993 C LEU A 65 4.607 0.946 -10.917 1.00 0.00 C ATOM 994 O LEU A 65 5.571 0.180 -10.919 1.00 0.00 O ATOM 995 CB LEU A 65 5.094 3.260 -10.101 1.00 0.00 C ATOM 996 CG LEU A 65 5.299 4.754 -10.357 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.293 5.526 -9.047 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.598 4.991 -11.113 1.00 0.00 C ATOM 0 H LEU A 65 2.873 3.300 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 65 5.594 2.475 -12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.286 3.143 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.997 2.864 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 65 4.474 5.115 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.440 6.587 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.337 5.382 -8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.098 5.164 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.728 6.059 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.435 4.614 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.563 4.469 -12.069 1.00 0.00 H new ATOM 1010 N ILE A 66 3.383 0.568 -10.568 1.00 0.00 N ATOM 1011 CA ILE A 66 3.094 -0.801 -10.159 1.00 0.00 C ATOM 1012 C ILE A 66 1.697 -1.224 -10.600 1.00 0.00 C ATOM 1013 O ILE A 66 0.997 -0.477 -11.285 1.00 0.00 O ATOM 1014 CB ILE A 66 3.210 -0.968 -8.632 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.041 -0.274 -7.930 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.538 -0.412 -8.138 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.934 -0.609 -6.459 1.00 0.00 C ATOM 0 H ILE A 66 2.575 1.190 -10.560 1.00 0.00 H new ATOM 0 HA ILE A 66 3.834 -1.438 -10.644 1.00 0.00 H new ATOM 0 HB ILE A 66 3.172 -2.031 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.150 0.805 -8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.112 -0.554 -8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.605 -0.537 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.358 -0.948 -8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.603 0.648 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.084 -0.082 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.794 -1.683 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.848 -0.304 -5.949 1.00 0.00 H new ATOM 1029 N LYS A 67 1.295 -2.426 -10.202 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.020 -2.949 -10.553 1.00 0.00 C ATOM 1031 C LYS A 67 -0.445 -4.047 -9.583 1.00 0.00 C ATOM 1032 O LYS A 67 0.382 -4.610 -8.867 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.010 -3.494 -11.983 1.00 0.00 C ATOM 1034 CG LYS A 67 0.984 -4.622 -12.197 1.00 0.00 C ATOM 1035 CD LYS A 67 0.718 -5.361 -13.498 1.00 0.00 C ATOM 1036 CE LYS A 67 1.463 -6.686 -13.550 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.851 -7.629 -14.526 1.00 0.00 N ATOM 0 H LYS A 67 1.862 -3.057 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.738 -2.131 -10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.009 -3.849 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.222 -2.681 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.997 -4.219 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.928 -5.321 -11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.352 -5.540 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.022 -4.739 -14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.503 -6.507 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.466 -7.140 -12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.388 -8.520 -14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.134 -7.820 -14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.871 -7.207 -15.476 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.740 -4.345 -9.566 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.275 -5.377 -8.686 1.00 0.00 C ATOM 1053 C ALA A 68 -2.500 -6.682 -9.444 1.00 0.00 C ATOM 1054 O ALA A 68 -3.180 -6.706 -10.470 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.572 -4.906 -8.046 1.00 0.00 C ATOM 0 H ALA A 68 -2.438 -3.886 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.543 -5.565 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.960 -5.687 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.384 -4.005 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.304 -4.688 -8.824 1.00 0.00 H new ATOM 1061 N VAL A 69 -1.924 -7.765 -8.932 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.062 -9.073 -9.561 1.00 0.00 C ATOM 1063 C VAL A 69 -2.640 -10.093 -8.585 1.00 0.00 C ATOM 1064 O VAL A 69 -1.918 -10.665 -7.768 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.709 -9.590 -10.085 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.838 -11.024 -10.574 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.186 -8.686 -11.191 1.00 0.00 C ATOM 0 H VAL A 69 -1.358 -7.762 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.745 -8.950 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 69 0.008 -9.575 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.128 -11.372 -10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.165 -11.661 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.570 -11.069 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.771 -9.066 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.901 -8.667 -12.014 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.053 -7.676 -10.803 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.157 -8.584 -4.361 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.713 -8.585 -4.566 1.00 0.00 C ATOM 1225 C VAL A 79 -0.283 -7.416 -5.445 1.00 0.00 C ATOM 1226 O VAL A 79 -0.985 -7.040 -6.383 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.238 -9.900 -5.210 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.277 -10.016 -5.134 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.907 -11.092 -4.543 1.00 0.00 C ATOM 0 HA VAL A 79 -0.253 -8.485 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.525 -9.893 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.594 -10.952 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.733 -9.179 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.591 -10.000 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.560 -12.013 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.653 -11.105 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.988 -11.013 -4.656 1.00 0.00 H new ATOM 1239 N TYR A 80 0.876 -6.846 -5.135 1.00 0.00 N ATOM 1240 CA TYR A 80 1.400 -5.718 -5.896 1.00 0.00 C ATOM 1241 C TYR A 80 2.806 -6.013 -6.410 1.00 0.00 C ATOM 1242 O TYR A 80 3.618 -6.623 -5.715 1.00 0.00 O ATOM 1243 CB TYR A 80 1.416 -4.456 -5.032 1.00 0.00 C ATOM 1244 CG TYR A 80 0.038 -3.915 -4.725 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.726 -4.450 -3.695 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.500 -2.869 -5.464 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -1.985 -3.960 -3.411 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.758 -2.371 -5.186 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.497 -2.920 -4.159 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.752 -2.428 -3.879 1.00 0.00 O ATOM 0 H TYR A 80 1.470 -7.146 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 80 0.746 -5.556 -6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.929 -4.674 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.995 -3.685 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.328 -5.263 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.075 -2.438 -6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.566 -4.388 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.161 -1.556 -5.770 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.962 -1.697 -4.497 1.00 0.00 H new ATOM 1260 N MET A 81 3.086 -5.576 -7.634 1.00 0.00 N ATOM 1261 CA MET A 81 4.394 -5.791 -8.242 1.00 0.00 C ATOM 1262 C MET A 81 4.711 -4.693 -9.252 1.00 0.00 C ATOM 1263 O MET A 81 3.875 -3.835 -9.534 1.00 0.00 O ATOM 1264 CB MET A 81 4.443 -7.159 -8.925 1.00 0.00 C ATOM 1265 CG MET A 81 3.739 -7.192 -10.271 1.00 0.00 C ATOM 1266 SD MET A 81 3.746 -8.832 -11.019 1.00 0.00 S ATOM 1267 CE MET A 81 2.682 -9.725 -9.888 1.00 0.00 C ATOM 0 H MET A 81 2.425 -5.071 -8.224 1.00 0.00 H new ATOM 0 HA MET A 81 5.144 -5.760 -7.452 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.484 -7.450 -9.062 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.988 -7.900 -8.268 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.709 -6.858 -10.146 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.223 -6.487 -10.947 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.058 -10.422 -10.448 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.292 -10.278 -9.174 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.047 -9.020 -9.352 1.00 0.00 H new ATOM 1277 N LEU A 82 5.924 -4.727 -9.794 1.00 0.00 N ATOM 1278 CA LEU A 82 6.352 -3.734 -10.773 1.00 0.00 C ATOM 1279 C LEU A 82 5.404 -3.704 -11.968 1.00 0.00 C ATOM 1280 O LEU A 82 4.977 -4.749 -12.461 1.00 0.00 O ATOM 1281 CB LEU A 82 7.776 -4.035 -11.244 1.00 0.00 C ATOM 1282 CG LEU A 82 8.901 -3.575 -10.316 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.180 -4.345 -10.606 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.133 -2.078 -10.460 1.00 0.00 C ATOM 0 H LEU A 82 6.628 -5.431 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 82 6.334 -2.755 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.869 -5.111 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.922 -3.568 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 82 8.604 -3.779 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.970 -4.004 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.007 -5.410 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.482 -4.173 -11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.937 -1.769 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.408 -1.850 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.220 -1.542 -10.201 1.00 0.00 H new ATOM 1296 N TYR A 83 5.082 -2.502 -12.430 1.00 0.00 N ATOM 1297 CA TYR A 83 4.184 -2.336 -13.568 1.00 0.00 C ATOM 1298 C TYR A 83 4.816 -2.884 -14.844 1.00 0.00 C ATOM 1299 O TYR A 83 4.141 -3.500 -15.668 1.00 0.00 O ATOM 1300 CB TYR A 83 3.831 -0.859 -13.754 1.00 0.00 C ATOM 1301 CG TYR A 83 2.823 -0.612 -14.854 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.631 -1.324 -14.904 1.00 0.00 C ATOM 1303 CD2 TYR A 83 3.063 0.334 -15.843 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.708 -1.101 -15.907 1.00 0.00 C ATOM 1305 CE2 TYR A 83 2.145 0.564 -16.849 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.969 -0.157 -16.877 1.00 0.00 C ATOM 1307 OH TYR A 83 0.051 0.069 -17.878 1.00 0.00 O ATOM 0 H TYR A 83 5.429 -1.628 -12.035 1.00 0.00 H new ATOM 0 HA TYR A 83 3.272 -2.898 -13.365 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.437 -0.467 -12.816 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.741 -0.301 -13.975 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.423 -2.064 -14.146 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.983 0.899 -15.825 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.214 -1.663 -15.931 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.347 1.304 -17.609 1.00 0.00 H new ATOM 0 HH TYR A 83 0.388 0.766 -18.479 1.00 0.00 H new ATOM 1317 N ASN A 84 6.116 -2.656 -14.999 1.00 0.00 N ATOM 1318 CA ASN A 84 6.840 -3.126 -16.174 1.00 0.00 C ATOM 1319 C ASN A 84 6.863 -4.651 -16.224 1.00 0.00 C ATOM 1320 O ASN A 84 6.891 -5.247 -17.302 1.00 0.00 O ATOM 1321 CB ASN A 84 8.270 -2.583 -16.169 1.00 0.00 C ATOM 1322 CG ASN A 84 8.867 -2.512 -17.561 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.300 -1.890 -18.460 1.00 0.00 O ATOM 1324 ND2 ASN A 84 10.017 -3.150 -17.745 1.00 0.00 N ATOM 0 H ASN A 84 6.690 -2.149 -14.325 1.00 0.00 H new ATOM 0 HA ASN A 84 6.323 -2.758 -17.060 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.276 -1.588 -15.723 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.895 -3.218 -15.541 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.466 -3.137 -18.661 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.451 -3.653 -16.971 1.00 0.00 H new