USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 47 LYS NZ :NH3+ 164:sc= -3.58! (180deg=-1.51!) USER MOD Set 1.2: A 102 ASN : amide:sc= -2.07! X(o=-5.7!,f=-5.3) USER MOD Single : A 22 ASN : amide:sc= -4.24! C(o=-4.2!,f=-3.3!) USER MOD Single : A 25 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -37:sc= 1.21 USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= -0.146 (180deg=-1.04) USER MOD Single : A 33 MET CE :methyl 174:sc= 0 (180deg=-0.025) USER MOD Single : A 41 GLN : amide:sc= -11.6! C(o=-12!,f=-5.4!) USER MOD Single : A 42 LYS NZ :NH3+ -116:sc= -1.73 (180deg=-4.06!) USER MOD Single : A 44 THR OG1 : rot 150:sc= 0.206 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00736) USER MOD Single : A 52 SER OG : rot 180:sc= -1.68 USER MOD Single : A 55 SER OG : rot 180:sc= -0.808 USER MOD Single : A 58 MET CE :methyl 146:sc= -0.292 (180deg=-1.49!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.909 K(o=-0.91,f=-3.8!) USER MOD Single : A 71 GLN : amide:sc= -2.01 K(o=-2,f=-3.3!) USER MOD Single : A 77 LYS NZ :NH3+ -118:sc= -1.18 (180deg=-2.28!) USER MOD Single : A 80 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.95!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.135 (180deg=-0.91) USER MOD Single : A 88 GLN : amide:sc= -6.47! C(o=-6.5!,f=-3.6!) USER MOD Single : A 93 GLN : amide:sc= -0.478 K(o=-0.48,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= -8.78! (180deg=-8.78!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 65:sc= 1.09 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0256 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 13.857 -18.983 5.393 1.00 0.00 N ATOM 276 CA ASN A 22 13.318 -18.729 4.053 1.00 0.00 C ATOM 277 C ASN A 22 11.934 -18.084 4.118 1.00 0.00 C ATOM 278 O ASN A 22 11.814 -16.870 4.279 1.00 0.00 O ATOM 279 CB ASN A 22 13.233 -20.049 3.278 1.00 0.00 C ATOM 280 CG ASN A 22 12.619 -21.138 4.154 1.00 0.00 C ATOM 281 OD1 ASN A 22 12.454 -20.949 5.359 1.00 0.00 O ATOM 282 ND2 ASN A 22 12.268 -22.273 3.616 1.00 0.00 N ATOM 0 HA ASN A 22 13.989 -18.037 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.631 -19.913 2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.228 -20.352 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.856 -23.006 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.405 -22.428 2.617 1.00 0.00 H new ATOM 289 N ALA A 23 10.894 -18.900 3.978 1.00 0.00 N ATOM 290 CA ALA A 23 9.524 -18.399 4.007 1.00 0.00 C ATOM 291 C ALA A 23 9.309 -17.478 5.199 1.00 0.00 C ATOM 292 O ALA A 23 8.853 -16.345 5.045 1.00 0.00 O ATOM 293 CB ALA A 23 8.543 -19.571 4.082 1.00 0.00 C ATOM 0 H ALA A 23 10.973 -19.908 3.844 1.00 0.00 H new ATOM 0 HA ALA A 23 9.348 -17.832 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.522 -19.190 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.673 -20.211 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.734 -20.148 4.987 1.00 0.00 H new ATOM 299 N ALA A 24 9.637 -17.971 6.382 1.00 0.00 N ATOM 300 CA ALA A 24 9.472 -17.183 7.597 1.00 0.00 C ATOM 301 C ALA A 24 10.155 -15.826 7.446 1.00 0.00 C ATOM 302 O ALA A 24 9.540 -14.782 7.665 1.00 0.00 O ATOM 303 CB ALA A 24 10.068 -17.935 8.788 1.00 0.00 C ATOM 0 H ALA A 24 10.017 -18.906 6.529 1.00 0.00 H new ATOM 0 HA ALA A 24 8.408 -17.022 7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.942 -17.341 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.558 -18.891 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.130 -18.110 8.614 1.00 0.00 H new ATOM 309 N GLN A 25 11.427 -15.852 7.071 1.00 0.00 N ATOM 310 CA GLN A 25 12.196 -14.627 6.893 1.00 0.00 C ATOM 311 C GLN A 25 11.518 -13.689 5.894 1.00 0.00 C ATOM 312 O GLN A 25 11.318 -12.507 6.175 1.00 0.00 O ATOM 313 CB GLN A 25 13.598 -14.987 6.384 1.00 0.00 C ATOM 314 CG GLN A 25 14.569 -13.824 6.626 1.00 0.00 C ATOM 315 CD GLN A 25 14.781 -13.592 8.122 1.00 0.00 C ATOM 316 OE1 GLN A 25 14.548 -12.489 8.615 1.00 0.00 O ATOM 317 NE2 GLN A 25 15.208 -14.568 8.880 1.00 0.00 N ATOM 0 H GLN A 25 11.949 -16.708 6.884 1.00 0.00 H new ATOM 0 HA GLN A 25 12.260 -14.114 7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.958 -15.882 6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 25 13.557 -15.220 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.525 -14.038 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.178 -12.917 6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.402 -15.483 8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.348 -14.415 9.879 1.00 0.00 H new ATOM 326 N VAL A 26 11.187 -14.223 4.724 1.00 0.00 N ATOM 327 CA VAL A 26 10.552 -13.427 3.678 1.00 0.00 C ATOM 328 C VAL A 26 9.160 -12.953 4.109 1.00 0.00 C ATOM 329 O VAL A 26 8.638 -11.980 3.563 1.00 0.00 O ATOM 330 CB VAL A 26 10.473 -14.258 2.376 1.00 0.00 C ATOM 331 CG1 VAL A 26 9.369 -13.723 1.454 1.00 0.00 C ATOM 332 CG2 VAL A 26 11.820 -14.193 1.637 1.00 0.00 C ATOM 0 H VAL A 26 11.346 -15.199 4.476 1.00 0.00 H new ATOM 0 HA VAL A 26 11.156 -12.537 3.499 1.00 0.00 H new ATOM 0 HB VAL A 26 10.242 -15.290 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.332 -14.323 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.408 -13.780 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.582 -12.686 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.761 -14.780 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.050 -13.156 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.605 -14.597 2.276 1.00 0.00 H new ATOM 342 N LYS A 27 8.562 -13.631 5.079 1.00 0.00 N ATOM 343 CA LYS A 27 7.244 -13.250 5.548 1.00 0.00 C ATOM 344 C LYS A 27 7.360 -12.003 6.425 1.00 0.00 C ATOM 345 O LYS A 27 6.736 -10.981 6.149 1.00 0.00 O ATOM 346 CB LYS A 27 6.626 -14.446 6.296 1.00 0.00 C ATOM 347 CG LYS A 27 5.765 -13.985 7.473 1.00 0.00 C ATOM 348 CD LYS A 27 4.859 -15.130 7.938 1.00 0.00 C ATOM 349 CE LYS A 27 5.715 -16.318 8.376 1.00 0.00 C ATOM 350 NZ LYS A 27 4.881 -17.268 9.165 1.00 0.00 N ATOM 0 H LYS A 27 8.967 -14.440 5.551 1.00 0.00 H new ATOM 0 HA LYS A 27 6.585 -12.997 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.019 -15.033 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.419 -15.100 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.402 -13.658 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.160 -13.128 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.231 -14.797 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.191 -15.429 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.131 -16.821 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.557 -15.972 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.463 -18.076 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.504 -16.784 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.092 -17.607 8.578 1.00 0.00 H new ATOM 364 N ASP A 28 8.175 -12.081 7.467 1.00 0.00 N ATOM 365 CA ASP A 28 8.362 -10.929 8.335 1.00 0.00 C ATOM 366 C ASP A 28 8.805 -9.746 7.484 1.00 0.00 C ATOM 367 O ASP A 28 8.572 -8.584 7.826 1.00 0.00 O ATOM 368 CB ASP A 28 9.420 -11.233 9.398 1.00 0.00 C ATOM 369 CG ASP A 28 8.948 -12.375 10.291 1.00 0.00 C ATOM 370 OD1 ASP A 28 8.883 -13.493 9.806 1.00 0.00 O ATOM 371 OD2 ASP A 28 8.659 -12.115 11.448 1.00 0.00 O ATOM 0 H ASP A 28 8.707 -12.911 7.728 1.00 0.00 H new ATOM 0 HA ASP A 28 7.425 -10.694 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.362 -11.500 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.609 -10.344 10.000 1.00 0.00 H new ATOM 376 N ALA A 29 9.440 -10.065 6.358 1.00 0.00 N ATOM 377 CA ALA A 29 9.917 -9.045 5.437 1.00 0.00 C ATOM 378 C ALA A 29 8.769 -8.509 4.588 1.00 0.00 C ATOM 379 O ALA A 29 8.834 -7.387 4.088 1.00 0.00 O ATOM 380 CB ALA A 29 10.999 -9.628 4.526 1.00 0.00 C ATOM 0 H ALA A 29 9.634 -11.022 6.065 1.00 0.00 H new ATOM 0 HA ALA A 29 10.336 -8.225 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.351 -8.858 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.833 -9.982 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.585 -10.460 3.956 1.00 0.00 H new ATOM 386 N LEU A 30 7.712 -9.307 4.431 1.00 0.00 N ATOM 387 CA LEU A 30 6.567 -8.868 3.645 1.00 0.00 C ATOM 388 C LEU A 30 5.762 -7.863 4.456 1.00 0.00 C ATOM 389 O LEU A 30 5.139 -6.950 3.909 1.00 0.00 O ATOM 390 CB LEU A 30 5.699 -10.082 3.260 1.00 0.00 C ATOM 391 CG LEU A 30 6.158 -10.652 1.900 1.00 0.00 C ATOM 392 CD1 LEU A 30 5.806 -12.142 1.815 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.460 -9.893 0.764 1.00 0.00 C ATOM 0 H LEU A 30 7.628 -10.242 4.830 1.00 0.00 H new ATOM 0 HA LEU A 30 6.908 -8.390 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.773 -10.851 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.651 -9.787 3.205 1.00 0.00 H new ATOM 0 HG LEU A 30 7.238 -10.533 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.132 -12.539 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.308 -12.681 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.728 -12.267 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.784 -10.296 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.380 -10.008 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.719 -8.836 0.820 1.00 0.00 H new ATOM 405 N THR A 31 5.798 -8.033 5.772 1.00 0.00 N ATOM 406 CA THR A 31 5.085 -7.134 6.657 1.00 0.00 C ATOM 407 C THR A 31 5.822 -5.813 6.753 1.00 0.00 C ATOM 408 O THR A 31 5.211 -4.765 6.957 1.00 0.00 O ATOM 409 CB THR A 31 4.942 -7.753 8.038 1.00 0.00 C ATOM 410 OG1 THR A 31 6.221 -7.856 8.653 1.00 0.00 O ATOM 411 CG2 THR A 31 4.327 -9.134 7.882 1.00 0.00 C ATOM 0 H THR A 31 6.310 -8.780 6.242 1.00 0.00 H new ATOM 0 HA THR A 31 4.089 -6.958 6.250 1.00 0.00 H new ATOM 0 HB THR A 31 4.304 -7.131 8.666 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.892 -8.084 7.976 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.216 -9.596 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.349 -9.045 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.975 -9.753 7.261 1.00 0.00 H new ATOM 419 N LYS A 32 7.141 -5.859 6.572 1.00 0.00 N ATOM 420 CA LYS A 32 7.932 -4.638 6.612 1.00 0.00 C ATOM 421 C LYS A 32 7.257 -3.617 5.702 1.00 0.00 C ATOM 422 O LYS A 32 6.770 -2.581 6.159 1.00 0.00 O ATOM 423 CB LYS A 32 9.379 -4.933 6.142 1.00 0.00 C ATOM 424 CG LYS A 32 10.409 -4.251 7.062 1.00 0.00 C ATOM 425 CD LYS A 32 10.332 -2.718 6.918 1.00 0.00 C ATOM 426 CE LYS A 32 11.205 -2.246 5.748 1.00 0.00 C ATOM 427 NZ LYS A 32 12.631 -2.580 6.027 1.00 0.00 N ATOM 0 H LYS A 32 7.673 -6.712 6.400 1.00 0.00 H new ATOM 0 HA LYS A 32 7.989 -4.244 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.550 -6.009 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.511 -4.582 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.223 -4.534 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.413 -4.595 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.298 -2.413 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.662 -2.243 7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.882 -2.724 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.093 -1.171 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.247 -1.860 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.788 -2.601 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.854 -3.512 5.624 1.00 0.00 H new ATOM 441 N MET A 33 7.188 -3.950 4.419 1.00 0.00 N ATOM 442 CA MET A 33 6.528 -3.084 3.458 1.00 0.00 C ATOM 443 C MET A 33 5.137 -2.739 3.978 1.00 0.00 C ATOM 444 O MET A 33 4.870 -1.594 4.333 1.00 0.00 O ATOM 445 CB MET A 33 6.425 -3.785 2.099 1.00 0.00 C ATOM 446 CG MET A 33 7.787 -3.752 1.399 1.00 0.00 C ATOM 447 SD MET A 33 7.744 -4.828 -0.058 1.00 0.00 S ATOM 448 CE MET A 33 8.403 -6.318 0.732 1.00 0.00 C ATOM 0 H MET A 33 7.578 -4.806 4.025 1.00 0.00 H new ATOM 0 HA MET A 33 7.108 -2.170 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.099 -4.816 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.675 -3.292 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.031 -2.732 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.568 -4.081 2.084 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.363 -7.150 0.029 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.437 -6.145 1.030 1.00 0.00 H new ATOM 0 HE3 MET A 33 7.807 -6.557 1.612 1.00 0.00 H new ATOM 458 N ARG A 34 4.256 -3.742 4.025 1.00 0.00 N ATOM 459 CA ARG A 34 2.890 -3.544 4.515 1.00 0.00 C ATOM 460 C ARG A 34 2.842 -2.518 5.643 1.00 0.00 C ATOM 461 O ARG A 34 2.362 -1.400 5.460 1.00 0.00 O ATOM 462 CB ARG A 34 2.333 -4.863 5.044 1.00 0.00 C ATOM 463 CG ARG A 34 0.827 -4.729 5.257 1.00 0.00 C ATOM 464 CD ARG A 34 0.257 -6.071 5.728 1.00 0.00 C ATOM 465 NE ARG A 34 -1.061 -5.877 6.321 1.00 0.00 N ATOM 466 CZ ARG A 34 -1.198 -5.346 7.532 1.00 0.00 C ATOM 467 NH1 ARG A 34 -0.140 -4.991 8.211 1.00 0.00 N ATOM 468 NH2 ARG A 34 -2.387 -5.183 8.044 1.00 0.00 N ATOM 0 H ARG A 34 4.464 -4.696 3.731 1.00 0.00 H new ATOM 0 HA ARG A 34 2.293 -3.180 3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.541 -5.667 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.822 -5.127 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.621 -3.955 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.344 -4.422 4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.188 -6.760 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.929 -6.524 6.457 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.892 -6.153 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.790 -5.121 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.243 -4.583 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.213 -5.463 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.491 -4.775 8.973 1.00 0.00 H new ATOM 482 N ALA A 35 3.336 -2.914 6.814 1.00 0.00 N ATOM 483 CA ALA A 35 3.333 -2.021 7.968 1.00 0.00 C ATOM 484 C ALA A 35 3.788 -0.618 7.572 1.00 0.00 C ATOM 485 O ALA A 35 3.386 0.371 8.183 1.00 0.00 O ATOM 486 CB ALA A 35 4.259 -2.570 9.055 1.00 0.00 C ATOM 0 H ALA A 35 3.738 -3.835 6.987 1.00 0.00 H new ATOM 0 HA ALA A 35 2.314 -1.962 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.251 -1.898 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.913 -3.556 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.273 -2.647 8.664 1.00 0.00 H new ATOM 492 N ALA A 36 4.625 -0.542 6.543 1.00 0.00 N ATOM 493 CA ALA A 36 5.132 0.743 6.073 1.00 0.00 C ATOM 494 C ALA A 36 4.094 1.439 5.202 1.00 0.00 C ATOM 495 O ALA A 36 3.866 2.639 5.334 1.00 0.00 O ATOM 496 CB ALA A 36 6.434 0.543 5.281 1.00 0.00 C ATOM 0 H ALA A 36 4.965 -1.349 6.021 1.00 0.00 H new ATOM 0 HA ALA A 36 5.338 1.371 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.802 1.509 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.182 0.078 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.242 -0.100 4.422 1.00 0.00 H new ATOM 502 N ALA A 37 3.462 0.678 4.318 1.00 0.00 N ATOM 503 CA ALA A 37 2.446 1.243 3.443 1.00 0.00 C ATOM 504 C ALA A 37 1.391 1.964 4.267 1.00 0.00 C ATOM 505 O ALA A 37 0.977 3.075 3.930 1.00 0.00 O ATOM 506 CB ALA A 37 1.787 0.136 2.618 1.00 0.00 C ATOM 0 H ALA A 37 3.632 -0.319 4.189 1.00 0.00 H new ATOM 0 HA ALA A 37 2.922 1.955 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.028 0.570 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.542 -0.365 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.320 -0.587 3.287 1.00 0.00 H new ATOM 512 N LEU A 38 0.962 1.334 5.354 1.00 0.00 N ATOM 513 CA LEU A 38 -0.051 1.948 6.216 1.00 0.00 C ATOM 514 C LEU A 38 0.579 3.046 7.077 1.00 0.00 C ATOM 515 O LEU A 38 0.160 4.214 7.039 1.00 0.00 O ATOM 516 CB LEU A 38 -0.705 0.881 7.123 1.00 0.00 C ATOM 517 CG LEU A 38 -1.860 0.189 6.386 1.00 0.00 C ATOM 518 CD1 LEU A 38 -1.338 -0.514 5.132 1.00 0.00 C ATOM 519 CD2 LEU A 38 -2.503 -0.844 7.314 1.00 0.00 C ATOM 0 H LEU A 38 1.289 0.417 5.659 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.819 2.391 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.039 0.142 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.075 1.348 8.036 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.597 0.937 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.166 -1.002 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.879 0.219 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.597 -1.261 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.324 -1.338 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.759 -1.585 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.885 -0.345 8.205 1.00 0.00 H new ATOM 531 N ASP A 39 1.584 2.657 7.852 1.00 0.00 N ATOM 532 CA ASP A 39 2.268 3.594 8.728 1.00 0.00 C ATOM 533 C ASP A 39 2.638 4.868 7.977 1.00 0.00 C ATOM 534 O ASP A 39 2.563 5.970 8.520 1.00 0.00 O ATOM 535 CB ASP A 39 3.535 2.949 9.294 1.00 0.00 C ATOM 536 CG ASP A 39 4.237 3.918 10.239 1.00 0.00 C ATOM 537 OD1 ASP A 39 4.951 4.779 9.750 1.00 0.00 O ATOM 538 OD2 ASP A 39 4.051 3.786 11.437 1.00 0.00 O ATOM 0 H ASP A 39 1.941 1.702 7.890 1.00 0.00 H new ATOM 0 HA ASP A 39 1.593 3.853 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.280 2.032 9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.206 2.671 8.481 1.00 0.00 H new ATOM 543 N ALA A 40 3.047 4.714 6.729 1.00 0.00 N ATOM 544 CA ALA A 40 3.440 5.862 5.928 1.00 0.00 C ATOM 545 C ALA A 40 2.223 6.660 5.479 1.00 0.00 C ATOM 546 O ALA A 40 2.214 7.889 5.561 1.00 0.00 O ATOM 547 CB ALA A 40 4.225 5.396 4.702 1.00 0.00 C ATOM 0 H ALA A 40 3.115 3.815 6.252 1.00 0.00 H new ATOM 0 HA ALA A 40 4.067 6.506 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.516 6.261 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.118 4.860 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.601 4.735 4.101 1.00 0.00 H new ATOM 553 N GLN A 41 1.202 5.953 4.999 1.00 0.00 N ATOM 554 CA GLN A 41 -0.015 6.595 4.516 1.00 0.00 C ATOM 555 C GLN A 41 -0.379 7.793 5.396 1.00 0.00 C ATOM 556 O GLN A 41 -0.665 8.867 4.870 1.00 0.00 O ATOM 557 CB GLN A 41 -1.165 5.532 4.401 1.00 0.00 C ATOM 558 CG GLN A 41 -2.550 6.069 4.874 1.00 0.00 C ATOM 559 CD GLN A 41 -2.802 5.700 6.335 1.00 0.00 C ATOM 560 OE1 GLN A 41 -3.939 5.423 6.716 1.00 0.00 O ATOM 561 NE2 GLN A 41 -1.808 5.662 7.176 1.00 0.00 N ATOM 0 H GLN A 41 1.195 4.935 4.935 1.00 0.00 H new ATOM 0 HA GLN A 41 0.148 6.997 3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.245 5.204 3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.901 4.656 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.585 7.152 4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.340 5.654 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.865 5.891 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.973 5.403 8.149 1.00 0.00 H new ATOM 570 N LYS A 42 -0.364 7.628 6.721 1.00 0.00 N ATOM 571 CA LYS A 42 -0.719 8.765 7.602 1.00 0.00 C ATOM 572 C LYS A 42 -0.053 8.694 8.983 1.00 0.00 C ATOM 573 O LYS A 42 -0.342 9.535 9.834 1.00 0.00 O ATOM 574 CB LYS A 42 -2.258 8.826 7.793 1.00 0.00 C ATOM 575 CG LYS A 42 -2.914 9.643 6.664 1.00 0.00 C ATOM 576 CD LYS A 42 -4.429 9.763 6.890 1.00 0.00 C ATOM 577 CE LYS A 42 -5.062 8.381 7.098 1.00 0.00 C ATOM 578 NZ LYS A 42 -4.921 7.975 8.523 1.00 0.00 N ATOM 0 H LYS A 42 -0.122 6.761 7.201 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.350 9.663 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.669 7.816 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.492 9.276 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.468 10.637 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.721 9.165 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.622 10.391 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.891 10.254 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.116 8.407 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.580 7.648 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.319 7.130 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.487 8.750 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.859 7.761 8.918 1.00 0.00 H new ATOM 592 N ALA A 43 0.818 7.711 9.229 1.00 0.00 N ATOM 593 CA ALA A 43 1.467 7.607 10.553 1.00 0.00 C ATOM 594 C ALA A 43 2.905 8.123 10.511 1.00 0.00 C ATOM 595 O ALA A 43 3.601 8.122 11.527 1.00 0.00 O ATOM 596 CB ALA A 43 1.437 6.149 11.052 1.00 0.00 C ATOM 0 H ALA A 43 1.089 6.993 8.557 1.00 0.00 H new ATOM 0 HA ALA A 43 0.907 8.232 11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.919 6.088 12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.403 5.814 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.968 5.512 10.345 1.00 0.00 H new ATOM 602 N THR A 44 3.347 8.562 9.338 1.00 0.00 N ATOM 603 CA THR A 44 4.701 9.075 9.191 1.00 0.00 C ATOM 604 C THR A 44 4.813 9.940 7.936 1.00 0.00 C ATOM 605 O THR A 44 5.232 9.450 6.890 1.00 0.00 O ATOM 606 CB THR A 44 5.678 7.905 9.089 1.00 0.00 C ATOM 607 OG1 THR A 44 5.574 7.099 10.254 1.00 0.00 O ATOM 608 CG2 THR A 44 7.106 8.437 8.958 1.00 0.00 C ATOM 0 H THR A 44 2.792 8.573 8.482 1.00 0.00 H new ATOM 0 HA THR A 44 4.942 9.686 10.061 1.00 0.00 H new ATOM 0 HB THR A 44 5.436 7.306 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.784 6.169 10.028 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.801 7.600 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.184 9.052 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.352 9.038 9.833 1.00 0.00 H new ATOM 616 N PRO A 45 4.450 11.205 8.010 1.00 0.00 N ATOM 617 CA PRO A 45 4.512 12.124 6.837 1.00 0.00 C ATOM 618 C PRO A 45 5.735 11.844 5.958 1.00 0.00 C ATOM 619 O PRO A 45 6.843 12.273 6.278 1.00 0.00 O ATOM 620 CB PRO A 45 4.595 13.496 7.497 1.00 0.00 C ATOM 621 CG PRO A 45 3.751 13.356 8.724 1.00 0.00 C ATOM 622 CD PRO A 45 3.949 11.910 9.211 1.00 0.00 C ATOM 0 HA PRO A 45 3.663 12.018 6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.623 13.758 7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.218 14.279 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.054 14.071 9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.702 13.553 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.662 11.858 10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.016 11.476 9.571 1.00 0.00 H new ATOM 630 N PRO A 46 5.565 11.118 4.874 1.00 0.00 N ATOM 631 CA PRO A 46 6.685 10.763 3.963 1.00 0.00 C ATOM 632 C PRO A 46 6.913 11.812 2.873 1.00 0.00 C ATOM 633 O PRO A 46 7.522 12.853 3.118 1.00 0.00 O ATOM 634 CB PRO A 46 6.207 9.438 3.372 1.00 0.00 C ATOM 635 CG PRO A 46 4.720 9.602 3.247 1.00 0.00 C ATOM 636 CD PRO A 46 4.290 10.550 4.384 1.00 0.00 C ATOM 0 HA PRO A 46 7.646 10.703 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.669 9.245 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.462 8.599 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.455 10.017 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.215 8.640 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.618 11.329 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.762 10.014 5.173 1.00 0.00 H new ATOM 644 N LYS A 47 6.430 11.520 1.670 1.00 0.00 N ATOM 645 CA LYS A 47 6.592 12.426 0.541 1.00 0.00 C ATOM 646 C LYS A 47 5.514 13.507 0.556 1.00 0.00 C ATOM 647 O LYS A 47 5.616 14.504 -0.158 1.00 0.00 O ATOM 648 CB LYS A 47 6.504 11.632 -0.770 1.00 0.00 C ATOM 649 CG LYS A 47 7.554 10.490 -0.777 1.00 0.00 C ATOM 650 CD LYS A 47 7.026 9.271 -1.557 1.00 0.00 C ATOM 651 CE LYS A 47 6.997 9.567 -3.067 1.00 0.00 C ATOM 652 NZ LYS A 47 8.262 9.077 -3.684 1.00 0.00 N ATOM 0 H LYS A 47 5.923 10.662 1.453 1.00 0.00 H new ATOM 0 HA LYS A 47 7.567 12.907 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.503 11.216 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.673 12.296 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.481 10.844 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.789 10.199 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.659 8.405 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.024 9.017 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.139 9.079 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.885 10.638 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.146 9.021 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.036 9.734 -3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.488 8.133 -3.310 1.00 0.00 H new ATOM 666 N LEU A 48 4.479 13.301 1.367 1.00 0.00 N ATOM 667 CA LEU A 48 3.387 14.271 1.451 1.00 0.00 C ATOM 668 C LEU A 48 3.790 15.466 2.313 1.00 0.00 C ATOM 669 O LEU A 48 2.960 16.035 3.021 1.00 0.00 O ATOM 670 CB LEU A 48 2.123 13.620 2.036 1.00 0.00 C ATOM 671 CG LEU A 48 1.962 12.192 1.492 1.00 0.00 C ATOM 672 CD1 LEU A 48 0.783 11.503 2.186 1.00 0.00 C ATOM 673 CD2 LEU A 48 1.706 12.243 -0.017 1.00 0.00 C ATOM 0 H LEU A 48 4.372 12.484 1.968 1.00 0.00 H new ATOM 0 HA LEU A 48 3.173 14.618 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.187 13.598 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.247 14.216 1.780 1.00 0.00 H new ATOM 0 HG LEU A 48 2.875 11.629 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.673 10.491 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.967 11.461 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.131 12.066 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.592 11.229 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.796 12.810 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.548 12.726 -0.513 1.00 0.00 H new ATOM 685 N GLU A 49 5.060 15.848 2.242 1.00 0.00 N ATOM 686 CA GLU A 49 5.541 16.987 3.017 1.00 0.00 C ATOM 687 C GLU A 49 4.650 18.196 2.756 1.00 0.00 C ATOM 688 O GLU A 49 4.495 19.069 3.610 1.00 0.00 O ATOM 689 CB GLU A 49 6.986 17.315 2.631 1.00 0.00 C ATOM 690 CG GLU A 49 7.931 16.272 3.232 1.00 0.00 C ATOM 691 CD GLU A 49 8.012 16.452 4.744 1.00 0.00 C ATOM 692 OE1 GLU A 49 8.864 17.204 5.186 1.00 0.00 O ATOM 693 OE2 GLU A 49 7.220 15.835 5.437 1.00 0.00 O ATOM 0 H GLU A 49 5.767 15.393 1.664 1.00 0.00 H new ATOM 0 HA GLU A 49 5.508 16.735 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.088 17.330 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.251 18.310 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.577 15.269 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.923 16.372 2.792 1.00 0.00 H new ATOM 700 N ASP A 50 4.066 18.230 1.563 1.00 0.00 N ATOM 701 CA ASP A 50 3.184 19.321 1.174 1.00 0.00 C ATOM 702 C ASP A 50 2.268 18.875 0.039 1.00 0.00 C ATOM 703 O ASP A 50 2.187 19.530 -1.001 1.00 0.00 O ATOM 704 CB ASP A 50 4.009 20.529 0.724 1.00 0.00 C ATOM 705 CG ASP A 50 3.086 21.701 0.406 1.00 0.00 C ATOM 706 OD1 ASP A 50 2.682 22.381 1.335 1.00 0.00 O ATOM 707 OD2 ASP A 50 2.794 21.900 -0.762 1.00 0.00 O ATOM 0 H ASP A 50 4.189 17.513 0.848 1.00 0.00 H new ATOM 0 HA ASP A 50 2.577 19.603 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.713 20.811 1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.598 20.270 -0.156 1.00 0.00 H new ATOM 712 N LYS A 51 1.579 17.752 0.246 1.00 0.00 N ATOM 713 CA LYS A 51 0.667 17.211 -0.761 1.00 0.00 C ATOM 714 C LYS A 51 -0.594 16.684 -0.091 1.00 0.00 C ATOM 715 O LYS A 51 -1.035 15.584 -0.382 1.00 0.00 O ATOM 716 CB LYS A 51 1.333 16.064 -1.538 1.00 0.00 C ATOM 717 CG LYS A 51 2.765 16.442 -1.929 1.00 0.00 C ATOM 718 CD LYS A 51 3.471 15.233 -2.562 1.00 0.00 C ATOM 719 CE LYS A 51 2.681 14.724 -3.775 1.00 0.00 C ATOM 720 NZ LYS A 51 3.595 13.958 -4.669 1.00 0.00 N ATOM 0 H LYS A 51 1.636 17.200 1.102 1.00 0.00 H new ATOM 0 HA LYS A 51 0.413 18.014 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.343 15.161 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.753 15.838 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.751 17.275 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.315 16.776 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.479 15.512 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.571 14.436 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.857 14.090 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.242 15.562 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.081 13.669 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.402 14.557 -4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.940 13.113 -4.171 1.00 0.00 H new ATOM 734 N SER A 52 -1.155 17.466 0.821 1.00 0.00 N ATOM 735 CA SER A 52 -2.358 17.052 1.538 1.00 0.00 C ATOM 736 C SER A 52 -3.411 16.483 0.568 1.00 0.00 C ATOM 737 O SER A 52 -3.183 16.434 -0.640 1.00 0.00 O ATOM 738 CB SER A 52 -2.925 18.246 2.325 1.00 0.00 C ATOM 739 OG SER A 52 -3.216 17.834 3.655 1.00 0.00 O ATOM 0 H SER A 52 -0.801 18.386 1.082 1.00 0.00 H new ATOM 0 HA SER A 52 -2.096 16.259 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.206 19.065 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.828 18.620 1.842 1.00 0.00 H new ATOM 0 HG SER A 52 -3.576 18.592 4.161 1.00 0.00 H new ATOM 745 N PRO A 53 -4.549 16.042 1.075 1.00 0.00 N ATOM 746 CA PRO A 53 -5.646 15.450 0.230 1.00 0.00 C ATOM 747 C PRO A 53 -6.182 16.420 -0.833 1.00 0.00 C ATOM 748 O PRO A 53 -7.377 16.430 -1.128 1.00 0.00 O ATOM 749 CB PRO A 53 -6.749 15.089 1.249 1.00 0.00 C ATOM 750 CG PRO A 53 -6.063 15.042 2.577 1.00 0.00 C ATOM 751 CD PRO A 53 -4.920 16.052 2.501 1.00 0.00 C ATOM 0 HA PRO A 53 -5.284 14.595 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.546 15.832 1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.207 14.129 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.754 15.295 3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.685 14.041 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.237 17.043 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.083 15.760 3.136 1.00 0.00 H new ATOM 759 N ASP A 54 -5.296 17.235 -1.389 1.00 0.00 N ATOM 760 CA ASP A 54 -5.678 18.217 -2.406 1.00 0.00 C ATOM 761 C ASP A 54 -5.181 17.745 -3.754 1.00 0.00 C ATOM 762 O ASP A 54 -5.846 17.876 -4.781 1.00 0.00 O ATOM 763 CB ASP A 54 -5.022 19.563 -2.081 1.00 0.00 C ATOM 764 CG ASP A 54 -5.457 20.612 -3.097 1.00 0.00 C ATOM 765 OD1 ASP A 54 -5.387 20.327 -4.281 1.00 0.00 O ATOM 766 OD2 ASP A 54 -5.852 21.688 -2.677 1.00 0.00 O ATOM 0 H ASP A 54 -4.303 17.239 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.762 18.328 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.301 19.880 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.937 19.461 -2.093 1.00 0.00 H new ATOM 771 N SER A 55 -3.986 17.184 -3.703 1.00 0.00 N ATOM 772 CA SER A 55 -3.315 16.649 -4.877 1.00 0.00 C ATOM 773 C SER A 55 -3.711 15.188 -5.042 1.00 0.00 C ATOM 774 O SER A 55 -4.312 14.614 -4.135 1.00 0.00 O ATOM 775 CB SER A 55 -1.787 16.767 -4.666 1.00 0.00 C ATOM 776 OG SER A 55 -1.159 15.518 -4.938 1.00 0.00 O ATOM 0 H SER A 55 -3.450 17.086 -2.841 1.00 0.00 H new ATOM 0 HA SER A 55 -3.600 17.201 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.380 17.538 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.576 17.074 -3.642 1.00 0.00 H new ATOM 0 HG SER A 55 -0.192 15.602 -4.804 1.00 0.00 H new ATOM 782 N PRO A 56 -3.376 14.561 -6.149 1.00 0.00 N ATOM 783 CA PRO A 56 -3.686 13.120 -6.368 1.00 0.00 C ATOM 784 C PRO A 56 -3.384 12.282 -5.113 1.00 0.00 C ATOM 785 O PRO A 56 -3.755 11.112 -5.051 1.00 0.00 O ATOM 786 CB PRO A 56 -2.783 12.717 -7.564 1.00 0.00 C ATOM 787 CG PRO A 56 -1.947 13.931 -7.884 1.00 0.00 C ATOM 788 CD PRO A 56 -2.699 15.131 -7.320 1.00 0.00 C ATOM 0 HA PRO A 56 -4.742 12.946 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.152 11.866 -7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.384 12.420 -8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.956 13.849 -7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.805 14.032 -8.960 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.023 15.940 -7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.408 15.540 -8.040 1.00 0.00 H new ATOM 796 N GLU A 57 -2.720 12.906 -4.119 1.00 0.00 N ATOM 797 CA GLU A 57 -2.374 12.253 -2.845 1.00 0.00 C ATOM 798 C GLU A 57 -3.278 11.069 -2.566 1.00 0.00 C ATOM 799 O GLU A 57 -2.815 9.956 -2.359 1.00 0.00 O ATOM 800 CB GLU A 57 -2.532 13.256 -1.696 1.00 0.00 C ATOM 801 CG GLU A 57 -2.269 12.557 -0.349 1.00 0.00 C ATOM 802 CD GLU A 57 -2.237 13.569 0.789 1.00 0.00 C ATOM 803 OE1 GLU A 57 -3.303 13.973 1.224 1.00 0.00 O ATOM 804 OE2 GLU A 57 -1.151 13.911 1.225 1.00 0.00 O ATOM 0 H GLU A 57 -2.410 13.876 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.344 11.904 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.836 14.085 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.537 13.678 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.046 11.816 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.321 12.021 -0.391 1.00 0.00 H new ATOM 811 N MET A 58 -4.573 11.338 -2.565 1.00 0.00 N ATOM 812 CA MET A 58 -5.559 10.306 -2.323 1.00 0.00 C ATOM 813 C MET A 58 -5.496 9.288 -3.453 1.00 0.00 C ATOM 814 O MET A 58 -5.220 8.112 -3.236 1.00 0.00 O ATOM 815 CB MET A 58 -6.949 10.936 -2.249 1.00 0.00 C ATOM 816 CG MET A 58 -6.926 12.152 -1.301 1.00 0.00 C ATOM 817 SD MET A 58 -8.513 13.019 -1.403 1.00 0.00 S ATOM 818 CE MET A 58 -9.562 11.647 -0.860 1.00 0.00 C ATOM 0 H MET A 58 -4.964 12.266 -2.730 1.00 0.00 H new ATOM 0 HA MET A 58 -5.353 9.805 -1.377 1.00 0.00 H new ATOM 0 HB2 MET A 58 -7.271 11.246 -3.243 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.672 10.201 -1.894 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.741 11.826 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.113 12.825 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 58 -10.403 12.037 -0.287 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.935 11.108 -1.731 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.980 10.969 -0.235 1.00 0.00 H new ATOM 828 N LYS A 59 -5.709 9.763 -4.673 1.00 0.00 N ATOM 829 CA LYS A 59 -5.639 8.891 -5.843 1.00 0.00 C ATOM 830 C LYS A 59 -4.370 8.049 -5.774 1.00 0.00 C ATOM 831 O LYS A 59 -4.358 6.880 -6.162 1.00 0.00 O ATOM 832 CB LYS A 59 -5.615 9.733 -7.125 1.00 0.00 C ATOM 833 CG LYS A 59 -6.973 10.435 -7.343 1.00 0.00 C ATOM 834 CD LYS A 59 -7.912 9.536 -8.155 1.00 0.00 C ATOM 835 CE LYS A 59 -9.222 10.279 -8.421 1.00 0.00 C ATOM 836 NZ LYS A 59 -9.960 9.603 -9.525 1.00 0.00 N ATOM 0 H LYS A 59 -5.930 10.737 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.514 8.242 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.821 10.477 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.388 9.096 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.427 10.671 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.822 11.380 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.441 9.257 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.109 8.612 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.833 10.297 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.017 11.316 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.851 10.107 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.377 9.608 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.167 8.621 -9.253 1.00 0.00 H new ATOM 850 N ASP A 60 -3.305 8.665 -5.272 1.00 0.00 N ATOM 851 CA ASP A 60 -2.021 7.991 -5.146 1.00 0.00 C ATOM 852 C ASP A 60 -1.982 7.115 -3.899 1.00 0.00 C ATOM 853 O ASP A 60 -1.420 6.026 -3.924 1.00 0.00 O ATOM 854 CB ASP A 60 -0.903 9.028 -5.082 1.00 0.00 C ATOM 855 CG ASP A 60 0.455 8.339 -5.112 1.00 0.00 C ATOM 856 OD1 ASP A 60 0.523 7.187 -4.716 1.00 0.00 O ATOM 857 OD2 ASP A 60 1.406 8.974 -5.531 1.00 0.00 O ATOM 0 H ASP A 60 -3.307 9.631 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.881 7.351 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.988 9.717 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.998 9.621 -4.172 1.00 0.00 H new ATOM 862 N PHE A 61 -2.597 7.580 -2.816 1.00 0.00 N ATOM 863 CA PHE A 61 -2.627 6.793 -1.585 1.00 0.00 C ATOM 864 C PHE A 61 -3.644 5.679 -1.761 1.00 0.00 C ATOM 865 O PHE A 61 -3.306 4.501 -1.687 1.00 0.00 O ATOM 866 CB PHE A 61 -2.986 7.672 -0.352 1.00 0.00 C ATOM 867 CG PHE A 61 -3.742 6.854 0.691 1.00 0.00 C ATOM 868 CD1 PHE A 61 -3.294 5.571 1.031 1.00 0.00 C ATOM 869 CD2 PHE A 61 -4.907 7.361 1.280 1.00 0.00 C ATOM 870 CE1 PHE A 61 -4.008 4.802 1.958 1.00 0.00 C ATOM 871 CE2 PHE A 61 -5.623 6.591 2.203 1.00 0.00 C ATOM 872 CZ PHE A 61 -5.175 5.311 2.542 1.00 0.00 C ATOM 0 H PHE A 61 -3.073 8.480 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.637 6.377 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.076 8.079 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.594 8.519 -0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.397 5.175 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.254 8.350 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.658 3.815 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.522 6.986 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.728 4.715 3.253 1.00 0.00 H new ATOM 882 N ARG A 62 -4.894 6.064 -1.987 1.00 0.00 N ATOM 883 CA ARG A 62 -5.952 5.082 -2.165 1.00 0.00 C ATOM 884 C ARG A 62 -5.456 3.957 -3.069 1.00 0.00 C ATOM 885 O ARG A 62 -5.634 2.785 -2.772 1.00 0.00 O ATOM 886 CB ARG A 62 -7.205 5.735 -2.773 1.00 0.00 C ATOM 887 CG ARG A 62 -7.615 6.987 -1.969 1.00 0.00 C ATOM 888 CD ARG A 62 -8.461 6.600 -0.750 1.00 0.00 C ATOM 889 NE ARG A 62 -9.867 6.489 -1.122 1.00 0.00 N ATOM 890 CZ ARG A 62 -10.821 6.434 -0.198 1.00 0.00 C ATOM 891 NH1 ARG A 62 -10.505 6.469 1.068 1.00 0.00 N ATOM 892 NH2 ARG A 62 -12.073 6.342 -0.555 1.00 0.00 N ATOM 0 H ARG A 62 -5.196 7.036 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.220 4.674 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.011 6.010 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.026 5.018 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.724 7.523 -1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.179 7.666 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.110 5.652 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.344 7.348 0.034 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.123 6.453 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.527 6.539 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.237 6.427 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.320 6.312 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.804 6.300 0.155 1.00 0.00 H new ATOM 906 N HIS A 63 -4.807 4.315 -4.166 1.00 0.00 N ATOM 907 CA HIS A 63 -4.289 3.301 -5.075 1.00 0.00 C ATOM 908 C HIS A 63 -2.957 2.759 -4.572 1.00 0.00 C ATOM 909 O HIS A 63 -2.798 1.559 -4.391 1.00 0.00 O ATOM 910 CB HIS A 63 -4.102 3.898 -6.468 1.00 0.00 C ATOM 911 CG HIS A 63 -3.994 2.805 -7.498 1.00 0.00 C ATOM 912 ND1 HIS A 63 -4.315 1.487 -7.217 1.00 0.00 N ATOM 913 CD2 HIS A 63 -3.602 2.823 -8.813 1.00 0.00 C ATOM 914 CE1 HIS A 63 -4.112 0.773 -8.339 1.00 0.00 C ATOM 915 NE2 HIS A 63 -3.677 1.540 -9.342 1.00 0.00 N ATOM 0 H HIS A 63 -4.628 5.279 -4.446 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.007 2.482 -5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.942 4.550 -6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.204 4.515 -6.488 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.283 3.701 -9.355 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.280 -0.291 -8.419 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.449 1.247 -10.292 1.00 0.00 H new ATOM 924 N GLY A 64 -2.005 3.656 -4.363 1.00 0.00 N ATOM 925 CA GLY A 64 -0.682 3.261 -3.896 1.00 0.00 C ATOM 926 C GLY A 64 -0.758 2.197 -2.809 1.00 0.00 C ATOM 927 O GLY A 64 0.055 1.272 -2.793 1.00 0.00 O ATOM 0 H GLY A 64 -2.122 4.659 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.099 2.882 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.156 4.135 -3.512 1.00 0.00 H new ATOM 931 N PHE A 65 -1.728 2.311 -1.895 1.00 0.00 N ATOM 932 CA PHE A 65 -1.841 1.311 -0.831 1.00 0.00 C ATOM 933 C PHE A 65 -2.541 0.084 -1.404 1.00 0.00 C ATOM 934 O PHE A 65 -2.317 -1.037 -0.958 1.00 0.00 O ATOM 935 CB PHE A 65 -2.559 1.897 0.428 1.00 0.00 C ATOM 936 CG PHE A 65 -3.834 1.137 0.760 1.00 0.00 C ATOM 937 CD1 PHE A 65 -4.889 1.125 -0.152 1.00 0.00 C ATOM 938 CD2 PHE A 65 -3.955 0.443 1.971 1.00 0.00 C ATOM 939 CE1 PHE A 65 -6.056 0.433 0.128 1.00 0.00 C ATOM 940 CE2 PHE A 65 -5.133 -0.255 2.255 1.00 0.00 C ATOM 941 CZ PHE A 65 -6.182 -0.257 1.328 1.00 0.00 C ATOM 0 H PHE A 65 -2.423 3.058 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.852 1.014 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.882 1.860 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.797 2.946 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.795 1.660 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.142 0.447 2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.867 0.430 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.233 -0.791 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.092 -0.796 1.546 1.00 0.00 H new ATOM 951 N ASP A 66 -3.358 0.307 -2.425 1.00 0.00 N ATOM 952 CA ASP A 66 -4.048 -0.787 -3.080 1.00 0.00 C ATOM 953 C ASP A 66 -3.033 -1.579 -3.899 1.00 0.00 C ATOM 954 O ASP A 66 -3.169 -2.788 -4.094 1.00 0.00 O ATOM 955 CB ASP A 66 -5.148 -0.244 -3.995 1.00 0.00 C ATOM 956 CG ASP A 66 -6.034 -1.387 -4.479 1.00 0.00 C ATOM 957 OD1 ASP A 66 -5.502 -2.320 -5.058 1.00 0.00 O ATOM 958 OD2 ASP A 66 -7.232 -1.312 -4.264 1.00 0.00 O ATOM 0 H ASP A 66 -3.556 1.230 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.510 -1.433 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.749 0.491 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.703 0.269 -4.848 1.00 0.00 H new ATOM 963 N ILE A 67 -2.004 -0.869 -4.361 1.00 0.00 N ATOM 964 CA ILE A 67 -0.936 -1.473 -5.150 1.00 0.00 C ATOM 965 C ILE A 67 0.031 -2.213 -4.243 1.00 0.00 C ATOM 966 O ILE A 67 0.366 -3.372 -4.481 1.00 0.00 O ATOM 967 CB ILE A 67 -0.184 -0.368 -5.905 1.00 0.00 C ATOM 968 CG1 ILE A 67 -1.142 0.268 -6.912 1.00 0.00 C ATOM 969 CG2 ILE A 67 1.029 -0.959 -6.638 1.00 0.00 C ATOM 970 CD1 ILE A 67 -0.467 1.452 -7.613 1.00 0.00 C ATOM 0 H ILE A 67 -1.889 0.132 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.368 -2.181 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 67 0.173 0.384 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.450 -0.473 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.045 0.605 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.555 -0.166 -7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.702 -1.419 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.692 -1.712 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.161 1.895 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.182 2.199 -6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.422 1.105 -8.139 1.00 0.00 H new ATOM 982 N LEU A 68 0.487 -1.521 -3.212 1.00 0.00 N ATOM 983 CA LEU A 68 1.438 -2.099 -2.269 1.00 0.00 C ATOM 984 C LEU A 68 0.845 -3.317 -1.549 1.00 0.00 C ATOM 985 O LEU A 68 1.571 -4.250 -1.216 1.00 0.00 O ATOM 986 CB LEU A 68 1.881 -1.020 -1.257 1.00 0.00 C ATOM 987 CG LEU A 68 3.242 -0.421 -1.683 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.088 0.342 -3.003 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.765 0.534 -0.610 1.00 0.00 C ATOM 0 H LEU A 68 0.216 -0.560 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 68 2.309 -2.448 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.130 -0.232 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.962 -1.455 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 68 3.951 -1.238 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.051 0.761 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.738 -0.339 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.366 1.148 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.723 0.946 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.051 1.345 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.894 -0.007 0.327 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.463 -3.320 -1.304 1.00 0.00 N ATOM 1002 CA VAL A 69 -1.083 -4.458 -0.617 1.00 0.00 C ATOM 1003 C VAL A 69 -1.437 -5.559 -1.610 1.00 0.00 C ATOM 1004 O VAL A 69 -1.522 -6.732 -1.247 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.354 -4.025 0.135 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -2.074 -2.793 1.034 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -3.462 -3.701 -0.877 1.00 0.00 C ATOM 0 H VAL A 69 -1.104 -2.569 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.359 -4.840 0.102 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.676 -4.844 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.988 -2.507 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.304 -3.043 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.733 -1.962 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.362 -3.394 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.133 -2.893 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.678 -4.586 -1.476 1.00 0.00 H new ATOM 1017 N GLY A 70 -1.649 -5.171 -2.859 1.00 0.00 N ATOM 1018 CA GLY A 70 -2.000 -6.130 -3.893 1.00 0.00 C ATOM 1019 C GLY A 70 -0.795 -6.975 -4.279 1.00 0.00 C ATOM 1020 O GLY A 70 -0.940 -8.108 -4.738 1.00 0.00 O ATOM 0 H GLY A 70 -1.584 -4.205 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.804 -6.775 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.377 -5.604 -4.770 1.00 0.00 H new ATOM 1024 N GLN A 71 0.399 -6.417 -4.092 1.00 0.00 N ATOM 1025 CA GLN A 71 1.622 -7.127 -4.427 1.00 0.00 C ATOM 1026 C GLN A 71 2.112 -7.944 -3.232 1.00 0.00 C ATOM 1027 O GLN A 71 2.601 -9.061 -3.394 1.00 0.00 O ATOM 1028 CB GLN A 71 2.690 -6.122 -4.849 1.00 0.00 C ATOM 1029 CG GLN A 71 2.941 -5.130 -3.708 1.00 0.00 C ATOM 1030 CD GLN A 71 3.908 -4.043 -4.136 1.00 0.00 C ATOM 1031 OE1 GLN A 71 4.983 -3.897 -3.555 1.00 0.00 O ATOM 1032 NE2 GLN A 71 3.571 -3.250 -5.099 1.00 0.00 N ATOM 0 H GLN A 71 0.541 -5.481 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 71 1.422 -7.812 -5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.614 -6.642 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.369 -5.589 -5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.998 -4.681 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.342 -5.659 -2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.678 -3.377 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.198 -2.497 -5.382 1.00 0.00 H new ATOM 1041 N ILE A 72 1.962 -7.387 -2.034 1.00 0.00 N ATOM 1042 CA ILE A 72 2.376 -8.078 -0.823 1.00 0.00 C ATOM 1043 C ILE A 72 1.637 -9.412 -0.743 1.00 0.00 C ATOM 1044 O ILE A 72 2.211 -10.431 -0.356 1.00 0.00 O ATOM 1045 CB ILE A 72 2.089 -7.163 0.400 1.00 0.00 C ATOM 1046 CG1 ILE A 72 3.351 -6.345 0.746 1.00 0.00 C ATOM 1047 CG2 ILE A 72 1.660 -7.972 1.636 1.00 0.00 C ATOM 1048 CD1 ILE A 72 2.967 -5.059 1.473 1.00 0.00 C ATOM 0 H ILE A 72 1.558 -6.463 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 72 3.445 -8.291 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 72 1.268 -6.500 0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.017 -6.939 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.899 -6.106 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.470 -7.293 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.752 -8.530 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.454 -8.667 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.867 -4.493 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.319 -4.459 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.440 -5.306 2.395 1.00 0.00 H new ATOM 1060 N ASP A 73 0.371 -9.399 -1.142 1.00 0.00 N ATOM 1061 CA ASP A 73 -0.426 -10.619 -1.144 1.00 0.00 C ATOM 1062 C ASP A 73 0.014 -11.512 -2.301 1.00 0.00 C ATOM 1063 O ASP A 73 0.160 -12.724 -2.147 1.00 0.00 O ATOM 1064 CB ASP A 73 -1.911 -10.278 -1.289 1.00 0.00 C ATOM 1065 CG ASP A 73 -2.751 -11.546 -1.178 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -2.727 -12.333 -2.110 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -3.407 -11.710 -0.162 1.00 0.00 O ATOM 0 H ASP A 73 -0.122 -8.566 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.276 -11.145 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.206 -9.568 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.090 -9.797 -2.250 1.00 0.00 H new ATOM 1072 N ASP A 74 0.238 -10.893 -3.459 1.00 0.00 N ATOM 1073 CA ASP A 74 0.676 -11.618 -4.639 1.00 0.00 C ATOM 1074 C ASP A 74 2.021 -12.272 -4.374 1.00 0.00 C ATOM 1075 O ASP A 74 2.378 -13.270 -5.001 1.00 0.00 O ATOM 1076 CB ASP A 74 0.804 -10.663 -5.829 1.00 0.00 C ATOM 1077 CG ASP A 74 0.820 -11.452 -7.136 1.00 0.00 C ATOM 1078 OD1 ASP A 74 1.308 -12.570 -7.124 1.00 0.00 O ATOM 1079 OD2 ASP A 74 0.345 -10.925 -8.128 1.00 0.00 O ATOM 0 H ASP A 74 0.122 -9.890 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.063 -12.385 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.028 -9.958 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.718 -10.077 -5.738 1.00 0.00 H new ATOM 1084 N ALA A 75 2.767 -11.695 -3.444 1.00 0.00 N ATOM 1085 CA ALA A 75 4.071 -12.227 -3.106 1.00 0.00 C ATOM 1086 C ALA A 75 3.915 -13.504 -2.290 1.00 0.00 C ATOM 1087 O ALA A 75 4.257 -14.591 -2.755 1.00 0.00 O ATOM 1088 CB ALA A 75 4.871 -11.195 -2.315 1.00 0.00 C ATOM 0 H ALA A 75 2.492 -10.866 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 75 4.608 -12.457 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.849 -11.606 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.998 -10.294 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.338 -10.947 -1.397 1.00 0.00 H new ATOM 1094 N LEU A 76 3.398 -13.373 -1.069 1.00 0.00 N ATOM 1095 CA LEU A 76 3.213 -14.545 -0.221 1.00 0.00 C ATOM 1096 C LEU A 76 2.456 -15.634 -0.963 1.00 0.00 C ATOM 1097 O LEU A 76 2.930 -16.753 -1.049 1.00 0.00 O ATOM 1098 CB LEU A 76 2.443 -14.203 1.056 1.00 0.00 C ATOM 1099 CG LEU A 76 2.558 -15.382 2.063 1.00 0.00 C ATOM 1100 CD1 LEU A 76 3.809 -15.206 2.931 1.00 0.00 C ATOM 1101 CD2 LEU A 76 1.322 -15.407 2.970 1.00 0.00 C ATOM 0 H LEU A 76 3.106 -12.488 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 76 4.209 -14.899 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.842 -13.291 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.396 -14.012 0.822 1.00 0.00 H new ATOM 0 HG LEU A 76 2.628 -16.317 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.883 -16.035 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.694 -15.189 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.740 -14.268 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.405 -16.234 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.254 -14.468 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.427 -15.537 2.362 1.00 0.00 H new ATOM 1113 N LYS A 77 1.272 -15.315 -1.490 1.00 0.00 N ATOM 1114 CA LYS A 77 0.489 -16.324 -2.205 1.00 0.00 C ATOM 1115 C LYS A 77 1.404 -17.118 -3.139 1.00 0.00 C ATOM 1116 O LYS A 77 1.205 -18.313 -3.355 1.00 0.00 O ATOM 1117 CB LYS A 77 -0.718 -15.662 -2.914 1.00 0.00 C ATOM 1118 CG LYS A 77 -0.340 -15.015 -4.265 1.00 0.00 C ATOM 1119 CD LYS A 77 -0.129 -16.020 -5.431 1.00 0.00 C ATOM 1120 CE LYS A 77 -1.005 -17.277 -5.300 1.00 0.00 C ATOM 1121 NZ LYS A 77 -2.437 -16.878 -5.171 1.00 0.00 N ATOM 0 H LYS A 77 0.843 -14.391 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 77 0.063 -17.044 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.492 -16.412 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.145 -14.902 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.124 -14.312 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.574 -14.437 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.351 -15.525 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.920 -16.315 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.873 -17.917 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.699 -17.857 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.805 -17.198 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.516 -15.843 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.989 -17.314 -5.937 1.00 0.00 H new ATOM 1135 N LEU A 78 2.449 -16.466 -3.637 1.00 0.00 N ATOM 1136 CA LEU A 78 3.412 -17.144 -4.499 1.00 0.00 C ATOM 1137 C LEU A 78 4.219 -18.158 -3.678 1.00 0.00 C ATOM 1138 O LEU A 78 4.196 -19.356 -3.955 1.00 0.00 O ATOM 1139 CB LEU A 78 4.352 -16.108 -5.145 1.00 0.00 C ATOM 1140 CG LEU A 78 4.904 -16.630 -6.486 1.00 0.00 C ATOM 1141 CD1 LEU A 78 5.535 -18.012 -6.284 1.00 0.00 C ATOM 1142 CD2 LEU A 78 3.780 -16.715 -7.546 1.00 0.00 C ATOM 0 H LEU A 78 2.650 -15.481 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 78 2.880 -17.676 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.814 -15.174 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.177 -15.887 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 78 5.662 -15.933 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.924 -18.377 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.349 -17.938 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.781 -18.705 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.192 -17.086 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.002 -17.395 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.353 -15.725 -7.703 1.00 0.00 H new ATOM 1154 N ALA A 79 4.920 -17.662 -2.660 1.00 0.00 N ATOM 1155 CA ALA A 79 5.723 -18.523 -1.786 1.00 0.00 C ATOM 1156 C ALA A 79 4.836 -19.542 -1.083 1.00 0.00 C ATOM 1157 O ALA A 79 5.270 -20.652 -0.772 1.00 0.00 O ATOM 1158 CB ALA A 79 6.416 -17.668 -0.727 1.00 0.00 C ATOM 0 H ALA A 79 4.950 -16.671 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 79 6.461 -19.044 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.013 -18.307 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.064 -16.940 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.666 -17.146 -0.133 1.00 0.00 H new ATOM 1164 N ASN A 80 3.593 -19.152 -0.839 1.00 0.00 N ATOM 1165 CA ASN A 80 2.642 -20.022 -0.176 1.00 0.00 C ATOM 1166 C ASN A 80 2.245 -21.139 -1.126 1.00 0.00 C ATOM 1167 O ASN A 80 1.798 -22.208 -0.708 1.00 0.00 O ATOM 1168 CB ASN A 80 1.396 -19.229 0.234 1.00 0.00 C ATOM 1169 CG ASN A 80 0.602 -20.005 1.281 1.00 0.00 C ATOM 1170 OD1 ASN A 80 0.705 -21.230 1.358 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -0.191 -19.363 2.094 1.00 0.00 N ATOM 0 H ASN A 80 3.222 -18.236 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 80 3.101 -20.442 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.689 -18.258 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.772 -19.039 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.727 -19.875 2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.275 -18.349 2.029 1.00 0.00 H new ATOM 1178 N GLU A 81 2.406 -20.866 -2.419 1.00 0.00 N ATOM 1179 CA GLU A 81 2.059 -21.831 -3.450 1.00 0.00 C ATOM 1180 C GLU A 81 3.170 -22.855 -3.641 1.00 0.00 C ATOM 1181 O GLU A 81 2.911 -24.058 -3.642 1.00 0.00 O ATOM 1182 CB GLU A 81 1.796 -21.114 -4.776 1.00 0.00 C ATOM 1183 CG GLU A 81 1.204 -22.105 -5.782 1.00 0.00 C ATOM 1184 CD GLU A 81 0.846 -21.383 -7.076 1.00 0.00 C ATOM 1185 OE1 GLU A 81 1.139 -20.203 -7.175 1.00 0.00 O ATOM 1186 OE2 GLU A 81 0.282 -22.021 -7.951 1.00 0.00 O ATOM 0 H GLU A 81 2.775 -19.984 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 81 1.157 -22.352 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.109 -20.282 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.724 -20.694 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.921 -22.901 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.316 -22.576 -5.361 1.00 0.00 H new ATOM 1193 N GLY A 82 4.412 -22.388 -3.821 1.00 0.00 N ATOM 1194 CA GLY A 82 5.522 -23.309 -4.029 1.00 0.00 C ATOM 1195 C GLY A 82 6.827 -22.813 -3.411 1.00 0.00 C ATOM 1196 O GLY A 82 7.162 -23.174 -2.282 1.00 0.00 O ATOM 0 H GLY A 82 4.664 -21.400 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.268 -24.279 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.667 -23.461 -5.099 1.00 0.00 H new ATOM 1200 N LYS A 83 7.603 -22.056 -4.190 1.00 0.00 N ATOM 1201 CA LYS A 83 8.929 -21.598 -3.741 1.00 0.00 C ATOM 1202 C LYS A 83 9.005 -20.103 -3.421 1.00 0.00 C ATOM 1203 O LYS A 83 8.408 -19.254 -4.094 1.00 0.00 O ATOM 1204 CB LYS A 83 9.947 -21.948 -4.843 1.00 0.00 C ATOM 1205 CG LYS A 83 11.400 -21.632 -4.417 1.00 0.00 C ATOM 1206 CD LYS A 83 11.968 -22.718 -3.482 1.00 0.00 C ATOM 1207 CE LYS A 83 12.031 -24.081 -4.191 1.00 0.00 C ATOM 1208 NZ LYS A 83 13.181 -24.862 -3.654 1.00 0.00 N ATOM 0 H LYS A 83 7.344 -21.747 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 83 9.149 -22.106 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.864 -23.007 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.706 -21.391 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.029 -21.549 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.430 -20.666 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.966 -22.431 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.346 -22.797 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.101 -24.628 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.143 -23.940 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.227 -25.785 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.064 -24.340 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.055 -25.007 -2.632 1.00 0.00 H new ATOM 1222 N VAL A 84 9.800 -19.806 -2.393 1.00 0.00 N ATOM 1223 CA VAL A 84 10.032 -18.436 -1.962 1.00 0.00 C ATOM 1224 C VAL A 84 10.912 -17.717 -2.981 1.00 0.00 C ATOM 1225 O VAL A 84 10.632 -16.587 -3.372 1.00 0.00 O ATOM 1226 CB VAL A 84 10.731 -18.437 -0.596 1.00 0.00 C ATOM 1227 CG1 VAL A 84 11.116 -17.007 -0.212 1.00 0.00 C ATOM 1228 CG2 VAL A 84 9.796 -19.021 0.475 1.00 0.00 C ATOM 0 H VAL A 84 10.296 -20.506 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 84 9.076 -17.919 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 84 11.629 -19.051 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.612 -17.012 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.792 -16.598 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.219 -16.391 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.302 -19.017 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.891 -18.416 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.531 -20.044 0.208 1.00 0.00 H new ATOM 1238 N LYS A 85 11.979 -18.391 -3.405 1.00 0.00 N ATOM 1239 CA LYS A 85 12.904 -17.820 -4.381 1.00 0.00 C ATOM 1240 C LYS A 85 12.137 -17.227 -5.557 1.00 0.00 C ATOM 1241 O LYS A 85 12.546 -16.219 -6.133 1.00 0.00 O ATOM 1242 CB LYS A 85 13.863 -18.898 -4.890 1.00 0.00 C ATOM 1243 CG LYS A 85 14.541 -19.587 -3.703 1.00 0.00 C ATOM 1244 CD LYS A 85 15.641 -20.520 -4.215 1.00 0.00 C ATOM 1245 CE LYS A 85 16.380 -21.139 -3.027 1.00 0.00 C ATOM 1246 NZ LYS A 85 16.972 -20.057 -2.190 1.00 0.00 N ATOM 0 H LYS A 85 12.224 -19.330 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 85 13.474 -17.030 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.319 -19.631 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.614 -18.452 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.965 -18.842 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.807 -20.153 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.208 -21.304 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.339 -19.966 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.693 -21.740 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.163 -21.809 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.722 -20.454 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.374 -19.322 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.233 -19.639 -1.590 1.00 0.00 H new ATOM 1260 N GLU A 86 11.015 -17.850 -5.898 1.00 0.00 N ATOM 1261 CA GLU A 86 10.190 -17.361 -6.998 1.00 0.00 C ATOM 1262 C GLU A 86 9.399 -16.161 -6.519 1.00 0.00 C ATOM 1263 O GLU A 86 9.061 -15.263 -7.290 1.00 0.00 O ATOM 1264 CB GLU A 86 9.230 -18.452 -7.476 1.00 0.00 C ATOM 1265 CG GLU A 86 10.037 -19.653 -7.963 1.00 0.00 C ATOM 1266 CD GLU A 86 9.114 -20.842 -8.203 1.00 0.00 C ATOM 1267 OE1 GLU A 86 8.145 -20.972 -7.473 1.00 0.00 O ATOM 1268 OE2 GLU A 86 9.389 -21.606 -9.115 1.00 0.00 O ATOM 0 H GLU A 86 10.658 -18.686 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 86 10.833 -17.079 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.566 -18.750 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.600 -18.072 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.562 -19.399 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.795 -19.915 -7.225 1.00 0.00 H new ATOM 1275 N ALA A 87 9.133 -16.155 -5.223 1.00 0.00 N ATOM 1276 CA ALA A 87 8.401 -15.062 -4.597 1.00 0.00 C ATOM 1277 C ALA A 87 9.353 -13.907 -4.301 1.00 0.00 C ATOM 1278 O ALA A 87 9.076 -12.760 -4.649 1.00 0.00 O ATOM 1279 CB ALA A 87 7.747 -15.540 -3.301 1.00 0.00 C ATOM 0 H ALA A 87 9.413 -16.896 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 87 7.622 -14.721 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.203 -14.715 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.055 -16.353 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.516 -15.894 -2.614 1.00 0.00 H new ATOM 1285 N GLN A 88 10.485 -14.220 -3.673 1.00 0.00 N ATOM 1286 CA GLN A 88 11.471 -13.195 -3.364 1.00 0.00 C ATOM 1287 C GLN A 88 11.794 -12.430 -4.646 1.00 0.00 C ATOM 1288 O GLN A 88 11.963 -11.209 -4.632 1.00 0.00 O ATOM 1289 CB GLN A 88 12.722 -13.842 -2.705 1.00 0.00 C ATOM 1290 CG GLN A 88 13.840 -14.132 -3.725 1.00 0.00 C ATOM 1291 CD GLN A 88 14.659 -12.874 -3.968 1.00 0.00 C ATOM 1292 OE1 GLN A 88 15.800 -12.943 -4.424 1.00 0.00 O ATOM 1293 NE2 GLN A 88 14.129 -11.727 -3.684 1.00 0.00 N ATOM 0 H GLN A 88 10.737 -15.162 -3.373 1.00 0.00 H new ATOM 0 HA GLN A 88 11.080 -12.480 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.105 -13.179 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.431 -14.771 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.484 -14.930 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.407 -14.481 -4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.182 -11.682 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.658 -10.869 -3.838 1.00 0.00 H new ATOM 1302 N ALA A 89 11.824 -13.152 -5.762 1.00 0.00 N ATOM 1303 CA ALA A 89 12.071 -12.526 -7.048 1.00 0.00 C ATOM 1304 C ALA A 89 10.839 -11.720 -7.415 1.00 0.00 C ATOM 1305 O ALA A 89 10.929 -10.599 -7.934 1.00 0.00 O ATOM 1306 CB ALA A 89 12.341 -13.589 -8.115 1.00 0.00 C ATOM 0 H ALA A 89 11.681 -14.161 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 89 12.947 -11.880 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.524 -13.104 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.215 -14.175 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.476 -14.246 -8.201 1.00 0.00 H new ATOM 1312 N ALA A 90 9.677 -12.293 -7.103 1.00 0.00 N ATOM 1313 CA ALA A 90 8.423 -11.614 -7.368 1.00 0.00 C ATOM 1314 C ALA A 90 8.375 -10.322 -6.559 1.00 0.00 C ATOM 1315 O ALA A 90 7.629 -9.399 -6.878 1.00 0.00 O ATOM 1316 CB ALA A 90 7.242 -12.512 -6.988 1.00 0.00 C ATOM 0 H ALA A 90 9.584 -13.213 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 90 8.354 -11.385 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.307 -11.990 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.280 -13.430 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.297 -12.756 -5.927 1.00 0.00 H new ATOM 1322 N ALA A 91 9.187 -10.271 -5.505 1.00 0.00 N ATOM 1323 CA ALA A 91 9.243 -9.095 -4.643 1.00 0.00 C ATOM 1324 C ALA A 91 10.015 -7.959 -5.320 1.00 0.00 C ATOM 1325 O ALA A 91 9.685 -6.779 -5.171 1.00 0.00 O ATOM 1326 CB ALA A 91 9.915 -9.454 -3.314 1.00 0.00 C ATOM 0 H ALA A 91 9.813 -11.028 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 91 8.223 -8.758 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.953 -8.571 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.343 -10.237 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.928 -9.809 -3.503 1.00 0.00 H new ATOM 1332 N GLU A 92 11.053 -8.327 -6.056 1.00 0.00 N ATOM 1333 CA GLU A 92 11.877 -7.336 -6.742 1.00 0.00 C ATOM 1334 C GLU A 92 11.071 -6.576 -7.790 1.00 0.00 C ATOM 1335 O GLU A 92 11.125 -5.340 -7.855 1.00 0.00 O ATOM 1336 CB GLU A 92 13.065 -8.025 -7.408 1.00 0.00 C ATOM 1337 CG GLU A 92 13.728 -8.959 -6.397 1.00 0.00 C ATOM 1338 CD GLU A 92 14.940 -9.638 -7.026 1.00 0.00 C ATOM 1339 OE1 GLU A 92 15.033 -9.632 -8.242 1.00 0.00 O ATOM 1340 OE2 GLU A 92 15.756 -10.155 -6.282 1.00 0.00 O ATOM 0 H GLU A 92 11.345 -9.294 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 92 12.233 -6.620 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.733 -8.588 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.781 -7.283 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.034 -8.395 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.013 -9.711 -6.062 1.00 0.00 H new ATOM 1347 N GLN A 93 10.324 -7.305 -8.615 1.00 0.00 N ATOM 1348 CA GLN A 93 9.530 -6.650 -9.648 1.00 0.00 C ATOM 1349 C GLN A 93 8.618 -5.597 -9.021 1.00 0.00 C ATOM 1350 O GLN A 93 8.042 -4.761 -9.721 1.00 0.00 O ATOM 1351 CB GLN A 93 8.703 -7.672 -10.435 1.00 0.00 C ATOM 1352 CG GLN A 93 8.053 -8.663 -9.474 1.00 0.00 C ATOM 1353 CD GLN A 93 7.244 -9.693 -10.256 1.00 0.00 C ATOM 1354 OE1 GLN A 93 7.775 -10.730 -10.653 1.00 0.00 O ATOM 1355 NE2 GLN A 93 5.982 -9.467 -10.500 1.00 0.00 N ATOM 0 H GLN A 93 10.252 -8.322 -8.591 1.00 0.00 H new ATOM 0 HA GLN A 93 10.211 -6.159 -10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.937 -7.161 -11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.341 -8.202 -11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.819 -9.163 -8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.405 -8.133 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.545 -8.607 -10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.433 -10.151 -11.021 1.00 0.00 H new ATOM 1364 N LEU A 94 8.519 -5.616 -7.690 1.00 0.00 N ATOM 1365 CA LEU A 94 7.700 -4.630 -6.987 1.00 0.00 C ATOM 1366 C LEU A 94 8.509 -3.370 -6.795 1.00 0.00 C ATOM 1367 O LEU A 94 8.045 -2.268 -7.091 1.00 0.00 O ATOM 1368 CB LEU A 94 7.255 -5.129 -5.609 1.00 0.00 C ATOM 1369 CG LEU A 94 6.689 -6.545 -5.702 1.00 0.00 C ATOM 1370 CD1 LEU A 94 6.086 -6.934 -4.343 1.00 0.00 C ATOM 1371 CD2 LEU A 94 5.606 -6.592 -6.784 1.00 0.00 C ATOM 0 H LEU A 94 8.988 -6.292 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 94 6.811 -4.447 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.101 -5.115 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.501 -4.457 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 94 7.483 -7.245 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.680 -7.944 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.861 -6.898 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.289 -6.236 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.202 -7.602 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.806 -5.897 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.038 -6.310 -7.744 1.00 0.00 H new ATOM 1383 N LYS A 95 9.737 -3.541 -6.307 1.00 0.00 N ATOM 1384 CA LYS A 95 10.617 -2.397 -6.094 1.00 0.00 C ATOM 1385 C LYS A 95 10.526 -1.471 -7.299 1.00 0.00 C ATOM 1386 O LYS A 95 10.498 -0.250 -7.163 1.00 0.00 O ATOM 1387 CB LYS A 95 12.077 -2.850 -5.908 1.00 0.00 C ATOM 1388 CG LYS A 95 12.262 -3.681 -4.616 1.00 0.00 C ATOM 1389 CD LYS A 95 11.951 -2.831 -3.350 1.00 0.00 C ATOM 1390 CE LYS A 95 10.640 -3.286 -2.681 1.00 0.00 C ATOM 1391 NZ LYS A 95 9.581 -3.521 -3.703 1.00 0.00 N ATOM 0 H LYS A 95 10.138 -4.445 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 95 10.301 -1.877 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.386 -3.443 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 95 12.727 -1.976 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.606 -4.551 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.285 -4.054 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.774 -2.917 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 95 11.876 -1.779 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.814 -4.200 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.306 -2.529 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.706 -3.827 -3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.403 -2.641 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.895 -4.260 -4.364 1.00 0.00 H new ATOM 1405 N THR A 96 10.451 -2.070 -8.478 1.00 0.00 N ATOM 1406 CA THR A 96 10.336 -1.293 -9.707 1.00 0.00 C ATOM 1407 C THR A 96 8.938 -0.689 -9.828 1.00 0.00 C ATOM 1408 O THR A 96 8.777 0.453 -10.255 1.00 0.00 O ATOM 1409 CB THR A 96 10.601 -2.187 -10.913 1.00 0.00 C ATOM 1410 OG1 THR A 96 11.732 -3.008 -10.654 1.00 0.00 O ATOM 1411 CG2 THR A 96 10.861 -1.326 -12.150 1.00 0.00 C ATOM 0 H THR A 96 10.467 -3.081 -8.612 1.00 0.00 H new ATOM 0 HA THR A 96 11.072 -0.489 -9.676 1.00 0.00 H new ATOM 0 HB THR A 96 9.730 -2.816 -11.094 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.902 -3.584 -11.428 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.050 -1.970 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.989 -0.702 -12.349 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.729 -0.691 -11.975 1.00 0.00 H new ATOM 1419 N THR A 97 7.928 -1.468 -9.455 1.00 0.00 N ATOM 1420 CA THR A 97 6.550 -0.996 -9.531 1.00 0.00 C ATOM 1421 C THR A 97 6.360 0.244 -8.662 1.00 0.00 C ATOM 1422 O THR A 97 5.894 1.293 -9.130 1.00 0.00 O ATOM 1423 CB THR A 97 5.591 -2.094 -9.069 1.00 0.00 C ATOM 1424 OG1 THR A 97 5.835 -3.278 -9.815 1.00 0.00 O ATOM 1425 CG2 THR A 97 4.148 -1.639 -9.286 1.00 0.00 C ATOM 0 H THR A 97 8.035 -2.419 -9.101 1.00 0.00 H new ATOM 0 HA THR A 97 6.333 -0.739 -10.568 1.00 0.00 H new ATOM 0 HB THR A 97 5.750 -2.293 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.730 -3.617 -9.607 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.466 -2.423 -8.956 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.962 -0.731 -8.712 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.985 -1.438 -10.345 1.00 0.00 H new ATOM 1433 N ILE A 98 6.730 0.133 -7.392 1.00 0.00 N ATOM 1434 CA ILE A 98 6.590 1.263 -6.499 1.00 0.00 C ATOM 1435 C ILE A 98 7.485 2.388 -6.970 1.00 0.00 C ATOM 1436 O ILE A 98 7.213 3.556 -6.706 1.00 0.00 O ATOM 1437 CB ILE A 98 6.937 0.870 -5.050 1.00 0.00 C ATOM 1438 CG1 ILE A 98 8.465 0.832 -4.839 1.00 0.00 C ATOM 1439 CG2 ILE A 98 6.348 -0.513 -4.753 1.00 0.00 C ATOM 1440 CD1 ILE A 98 8.769 0.360 -3.416 1.00 0.00 C ATOM 0 H ILE A 98 7.120 -0.710 -6.970 1.00 0.00 H new ATOM 0 HA ILE A 98 5.552 1.595 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 98 6.515 1.614 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.927 0.161 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.891 1.822 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.589 -0.799 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.265 -0.481 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.770 -1.244 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.848 0.332 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.320 1.049 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.356 -0.638 -3.268 1.00 0.00 H new ATOM 1452 N ARG A 99 8.568 2.037 -7.661 1.00 0.00 N ATOM 1453 CA ARG A 99 9.476 3.063 -8.127 1.00 0.00 C ATOM 1454 C ARG A 99 8.765 3.946 -9.126 1.00 0.00 C ATOM 1455 O ARG A 99 9.144 5.091 -9.336 1.00 0.00 O ATOM 1456 CB ARG A 99 10.747 2.460 -8.732 1.00 0.00 C ATOM 1457 CG ARG A 99 11.721 3.581 -9.133 1.00 0.00 C ATOM 1458 CD ARG A 99 12.073 4.465 -7.918 1.00 0.00 C ATOM 1459 NE ARG A 99 13.464 4.896 -8.001 1.00 0.00 N ATOM 1460 CZ ARG A 99 14.065 5.490 -6.975 1.00 0.00 C ATOM 1461 NH1 ARG A 99 13.409 5.701 -5.867 1.00 0.00 N ATOM 1462 NH2 ARG A 99 15.312 5.862 -7.075 1.00 0.00 N ATOM 0 H ARG A 99 8.826 1.080 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 99 9.787 3.665 -7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.222 1.794 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.494 1.857 -9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.631 3.147 -9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.274 4.193 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.416 5.334 -7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.910 3.910 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 99 13.986 4.738 -8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.435 5.410 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.871 6.157 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.826 5.697 -7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.773 6.318 -6.288 1.00 0.00 H new ATOM 1476 N ALA A 100 7.693 3.425 -9.699 1.00 0.00 N ATOM 1477 CA ALA A 100 6.903 4.214 -10.619 1.00 0.00 C ATOM 1478 C ALA A 100 6.112 5.197 -9.789 1.00 0.00 C ATOM 1479 O ALA A 100 6.034 6.372 -10.122 1.00 0.00 O ATOM 1480 CB ALA A 100 5.961 3.324 -11.431 1.00 0.00 C ATOM 0 H ALA A 100 7.356 2.475 -9.545 1.00 0.00 H new ATOM 0 HA ALA A 100 7.548 4.731 -11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.378 3.940 -12.115 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.545 2.601 -12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.288 2.795 -10.756 1.00 0.00 H new ATOM 1486 N TYR A 101 5.566 4.718 -8.669 1.00 0.00 N ATOM 1487 CA TYR A 101 4.820 5.597 -7.777 1.00 0.00 C ATOM 1488 C TYR A 101 5.808 6.495 -7.018 1.00 0.00 C ATOM 1489 O TYR A 101 5.579 7.686 -6.839 1.00 0.00 O ATOM 1490 CB TYR A 101 3.943 4.756 -6.808 1.00 0.00 C ATOM 1491 CG TYR A 101 3.897 5.378 -5.419 1.00 0.00 C ATOM 1492 CD1 TYR A 101 3.228 6.596 -5.209 1.00 0.00 C ATOM 1493 CD2 TYR A 101 4.532 4.739 -4.346 1.00 0.00 C ATOM 1494 CE1 TYR A 101 3.198 7.166 -3.930 1.00 0.00 C ATOM 1495 CE2 TYR A 101 4.499 5.310 -3.069 1.00 0.00 C ATOM 1496 CZ TYR A 101 3.833 6.523 -2.861 1.00 0.00 C ATOM 1497 OH TYR A 101 3.804 7.085 -1.601 1.00 0.00 O ATOM 0 H TYR A 101 5.626 3.746 -8.365 1.00 0.00 H new ATOM 0 HA TYR A 101 4.148 6.233 -8.352 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.932 4.677 -7.206 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.340 3.743 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.737 7.092 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.048 3.804 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.685 8.102 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.988 4.814 -2.243 1.00 0.00 H new ATOM 0 HH TYR A 101 4.292 6.510 -0.975 1.00 0.00 H new ATOM 1507 N ASN A 102 6.913 5.920 -6.581 1.00 0.00 N ATOM 1508 CA ASN A 102 7.911 6.692 -5.859 1.00 0.00 C ATOM 1509 C ASN A 102 8.526 7.733 -6.782 1.00 0.00 C ATOM 1510 O ASN A 102 8.623 8.895 -6.430 1.00 0.00 O ATOM 1511 CB ASN A 102 9.002 5.758 -5.296 1.00 0.00 C ATOM 1512 CG ASN A 102 9.596 6.342 -4.018 1.00 0.00 C ATOM 1513 OD1 ASN A 102 10.586 7.073 -4.069 1.00 0.00 O ATOM 1514 ND2 ASN A 102 9.046 6.064 -2.872 1.00 0.00 N ATOM 0 H ASN A 102 7.142 4.934 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 102 7.431 7.203 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.578 4.775 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.788 5.617 -6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.435 6.452 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.226 5.458 -2.833 1.00 0.00 H new ATOM 1521 N GLN A 103 8.927 7.315 -7.967 1.00 0.00 N ATOM 1522 CA GLN A 103 9.526 8.241 -8.918 1.00 0.00 C ATOM 1523 C GLN A 103 8.487 9.200 -9.470 1.00 0.00 C ATOM 1524 O GLN A 103 8.734 10.402 -9.574 1.00 0.00 O ATOM 1525 CB GLN A 103 10.133 7.470 -10.080 1.00 0.00 C ATOM 1526 CG GLN A 103 10.915 8.423 -10.994 1.00 0.00 C ATOM 1527 CD GLN A 103 11.867 7.630 -11.885 1.00 0.00 C ATOM 1528 OE1 GLN A 103 13.055 7.945 -11.959 1.00 0.00 O ATOM 1529 NE2 GLN A 103 11.416 6.615 -12.568 1.00 0.00 N ATOM 0 H GLN A 103 8.852 6.352 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 103 10.296 8.806 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.795 6.690 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.346 6.973 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.224 8.999 -11.609 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.477 9.137 -10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.432 6.355 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.048 6.081 -13.165 1.00 0.00 H new ATOM 1538 N LYS A 104 7.331 8.666 -9.844 1.00 0.00 N ATOM 1539 CA LYS A 104 6.284 9.515 -10.407 1.00 0.00 C ATOM 1540 C LYS A 104 5.986 10.671 -9.470 1.00 0.00 C ATOM 1541 O LYS A 104 5.979 11.836 -9.866 1.00 0.00 O ATOM 1542 CB LYS A 104 4.972 8.741 -10.639 1.00 0.00 C ATOM 1543 CG LYS A 104 3.821 9.729 -10.983 1.00 0.00 C ATOM 1544 CD LYS A 104 2.807 9.057 -11.916 1.00 0.00 C ATOM 1545 CE LYS A 104 1.603 9.981 -12.113 1.00 0.00 C ATOM 1546 NZ LYS A 104 0.698 9.404 -13.146 1.00 0.00 N ATOM 0 H LYS A 104 7.096 7.676 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 104 6.656 9.877 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.102 8.025 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.716 8.169 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.325 10.053 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.228 10.621 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.271 8.838 -12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.483 8.106 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.067 10.103 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.938 10.972 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.120 10.032 -13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.213 9.309 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.369 8.468 -12.835 1.00 0.00 H new ATOM 1560 N TYR A 105 5.681 10.313 -8.233 1.00 0.00 N ATOM 1561 CA TYR A 105 5.307 11.280 -7.223 1.00 0.00 C ATOM 1562 C TYR A 105 6.498 11.791 -6.426 1.00 0.00 C ATOM 1563 O TYR A 105 6.399 12.823 -5.761 1.00 0.00 O ATOM 1564 CB TYR A 105 4.315 10.606 -6.286 1.00 0.00 C ATOM 1565 CG TYR A 105 3.049 10.321 -7.057 1.00 0.00 C ATOM 1566 CD1 TYR A 105 2.072 11.294 -7.132 1.00 0.00 C ATOM 1567 CD2 TYR A 105 2.868 9.100 -7.715 1.00 0.00 C ATOM 1568 CE1 TYR A 105 0.900 11.061 -7.858 1.00 0.00 C ATOM 1569 CE2 TYR A 105 1.697 8.858 -8.440 1.00 0.00 C ATOM 1570 CZ TYR A 105 0.709 9.840 -8.510 1.00 0.00 C ATOM 1571 OH TYR A 105 -0.448 9.610 -9.226 1.00 0.00 O ATOM 0 H TYR A 105 5.687 9.347 -7.905 1.00 0.00 H new ATOM 0 HA TYR A 105 4.871 12.148 -7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.735 9.681 -5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.102 11.249 -5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 105 2.214 12.239 -6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 105 3.635 8.342 -7.663 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.140 11.827 -7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 105 1.558 7.913 -8.944 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.418 8.712 -9.617 1.00 0.00 H new ATOM 1581 N GLY A 106 7.618 11.077 -6.478 1.00 0.00 N ATOM 1582 CA GLY A 106 8.811 11.495 -5.732 1.00 0.00 C ATOM 1583 C GLY A 106 9.875 12.051 -6.672 1.00 0.00 C ATOM 1584 O GLY A 106 10.736 11.288 -7.079 1.00 0.00 O ATOM 1585 OXT GLY A 106 9.812 13.231 -6.972 1.00 0.00 O ATOM 0 H GLY A 106 7.730 10.219 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.538 12.252 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.215 10.646 -5.180 1.00 0.00 H new