USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 425 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 49 ASN : amide:sc= -1.9 K(o=-4.7,f=-3.3!) USER MOD Set 1.2: A 50 HIS : no HD1:sc= -2.76! K(o=-4.7!,f=-2.5) USER MOD Set 1.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 53 SER OG : rot -90:sc= -0.127 USER MOD Set 2.2: A 54 MET CE :methyl -167:sc= -0.0103 (180deg=-0.272) USER MOD Set 3.1: A 37 CYS SG : rot 98:sc= 0.272 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -1.62 K(o=-0.59,f=-2.1) USER MOD Set 3.3: A 62 CYS SG : rot 150:sc= 1.13 USER MOD Set 3.4: A 65 CYS SG : rot -40:sc= -0.377 USER MOD Set 4.1: A 22 CYS SG : rot 94:sc= 0.52! USER MOD Set 4.2: A 25 CYS SG : rot -57:sc= -0.609 USER MOD Set 4.3: A 42 CYS SG : rot 82:sc= 1.08 USER MOD Set 4.4: A 45 CYS SG : rot 129:sc= -1 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.819 (180deg=-2.02!) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= 0.18 (180deg=0.102) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 57:sc= 1.27 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.554 -9.521 -26.050 1.00 0.00 N ATOM 233 CA GLU A 19 -6.425 -8.821 -26.987 1.00 0.00 C ATOM 234 C GLU A 19 -6.651 -7.378 -26.547 1.00 0.00 C ATOM 235 O GLU A 19 -6.712 -6.467 -27.373 1.00 0.00 O ATOM 236 CB GLU A 19 -7.768 -9.545 -27.107 1.00 0.00 C ATOM 237 CG GLU A 19 -8.480 -9.732 -25.778 1.00 0.00 C ATOM 238 CD GLU A 19 -8.019 -10.974 -25.040 1.00 0.00 C ATOM 239 OE1 GLU A 19 -7.901 -12.037 -25.684 1.00 0.00 O ATOM 240 OE2 GLU A 19 -7.777 -10.883 -23.818 1.00 0.00 O ATOM 0 HA GLU A 19 -5.936 -8.813 -27.961 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.415 -8.983 -27.780 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.605 -10.522 -27.563 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.308 -8.857 -25.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.554 -9.794 -25.951 1.00 0.00 H new ATOM 247 N VAL A 20 -6.775 -7.177 -25.239 1.00 0.00 N ATOM 248 CA VAL A 20 -6.993 -5.845 -24.687 1.00 0.00 C ATOM 249 C VAL A 20 -5.919 -5.491 -23.665 1.00 0.00 C ATOM 250 O VAL A 20 -5.651 -6.256 -22.738 1.00 0.00 O ATOM 251 CB VAL A 20 -8.377 -5.734 -24.020 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.621 -4.315 -23.529 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.470 -6.167 -24.986 1.00 0.00 C ATOM 0 H VAL A 20 -6.728 -7.920 -24.542 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.942 -5.145 -25.521 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.400 -6.401 -23.158 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.604 -4.256 -23.061 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.856 -4.045 -22.802 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.579 -3.626 -24.372 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.441 -6.082 -24.498 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.450 -5.527 -25.868 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.303 -7.202 -25.284 1.00 0.00 H new ATOM 263 N THR A 21 -5.305 -4.325 -23.839 1.00 0.00 N ATOM 264 CA THR A 21 -4.259 -3.868 -22.933 1.00 0.00 C ATOM 265 C THR A 21 -4.627 -2.533 -22.297 1.00 0.00 C ATOM 266 O THR A 21 -5.382 -1.747 -22.871 1.00 0.00 O ATOM 267 CB THR A 21 -2.909 -3.723 -23.661 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.577 -4.947 -24.326 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.804 -3.355 -22.683 1.00 0.00 C ATOM 0 H THR A 21 -5.515 -3.679 -24.600 1.00 0.00 H new ATOM 0 HA THR A 21 -4.163 -4.624 -22.154 1.00 0.00 H new ATOM 0 HB THR A 21 -3.002 -2.924 -24.397 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.718 -4.846 -24.788 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.860 -3.258 -23.220 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.046 -2.408 -22.200 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.713 -4.135 -21.927 1.00 0.00 H new ATOM 277 N CYS A 22 -4.089 -2.280 -21.109 1.00 0.00 N ATOM 278 CA CYS A 22 -4.360 -1.039 -20.394 1.00 0.00 C ATOM 279 C CYS A 22 -3.430 0.075 -20.866 1.00 0.00 C ATOM 280 O CYS A 22 -2.206 -0.059 -20.860 1.00 0.00 O ATOM 281 CB CYS A 22 -4.198 -1.248 -18.887 1.00 0.00 C ATOM 282 SG CYS A 22 -4.567 0.230 -17.887 1.00 0.00 S ATOM 0 H CYS A 22 -3.462 -2.919 -20.620 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.388 -0.745 -20.605 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.853 -2.060 -18.571 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.175 -1.566 -18.683 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.808 0.194 -17.501 1.00 0.00 H new ATOM 287 N PRO A 23 -4.024 1.202 -21.286 1.00 0.00 N ATOM 288 CA PRO A 23 -3.268 2.362 -21.769 1.00 0.00 C ATOM 289 C PRO A 23 -2.506 3.064 -20.650 1.00 0.00 C ATOM 290 O PRO A 23 -1.820 4.060 -20.884 1.00 0.00 O ATOM 291 CB PRO A 23 -4.353 3.281 -22.335 1.00 0.00 C ATOM 292 CG PRO A 23 -5.591 2.906 -21.597 1.00 0.00 C ATOM 293 CD PRO A 23 -5.478 1.432 -21.321 1.00 0.00 C ATOM 0 HA PRO A 23 -2.507 2.079 -22.497 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.103 4.331 -22.180 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.473 3.137 -23.409 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.679 3.471 -20.669 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.480 3.125 -22.189 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.950 1.163 -20.376 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.960 0.839 -22.099 1.00 0.00 H new ATOM 301 N ILE A 24 -2.629 2.538 -19.436 1.00 0.00 N ATOM 302 CA ILE A 24 -1.950 3.114 -18.282 1.00 0.00 C ATOM 303 C ILE A 24 -0.760 2.258 -17.861 1.00 0.00 C ATOM 304 O ILE A 24 0.394 2.635 -18.066 1.00 0.00 O ATOM 305 CB ILE A 24 -2.906 3.268 -17.085 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.867 4.436 -17.320 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.118 3.474 -15.800 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.218 4.248 -16.665 1.00 0.00 C ATOM 0 H ILE A 24 -3.192 1.714 -19.226 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.597 4.100 -18.583 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.491 2.354 -16.986 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.413 5.352 -16.941 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.008 4.570 -18.393 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.808 3.581 -14.963 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.470 2.614 -15.628 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.510 4.375 -15.886 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.847 5.114 -16.873 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.693 3.351 -17.062 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.089 4.144 -15.588 1.00 0.00 H new ATOM 320 N CYS A 25 -1.049 1.102 -17.272 1.00 0.00 N ATOM 321 CA CYS A 25 -0.004 0.191 -16.822 1.00 0.00 C ATOM 322 C CYS A 25 0.603 -0.565 -18.001 1.00 0.00 C ATOM 323 O CYS A 25 1.729 -1.058 -17.924 1.00 0.00 O ATOM 324 CB CYS A 25 -0.567 -0.801 -15.802 1.00 0.00 C ATOM 325 SG CYS A 25 -2.012 -1.737 -16.395 1.00 0.00 S ATOM 0 H CYS A 25 -1.999 0.774 -17.095 1.00 0.00 H new ATOM 0 HA CYS A 25 0.780 0.783 -16.349 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.218 -1.504 -15.523 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.845 -0.258 -14.898 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.945 -0.909 -16.761 1.00 0.00 H new ATOM 330 N LEU A 26 -0.152 -0.654 -19.091 1.00 0.00 N ATOM 331 CA LEU A 26 0.310 -1.349 -20.287 1.00 0.00 C ATOM 332 C LEU A 26 0.670 -2.797 -19.970 1.00 0.00 C ATOM 333 O LEU A 26 1.664 -3.323 -20.470 1.00 0.00 O ATOM 334 CB LEU A 26 1.522 -0.630 -20.883 1.00 0.00 C ATOM 335 CG LEU A 26 1.417 0.892 -20.982 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.751 1.493 -21.396 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.324 1.290 -21.962 1.00 0.00 C ATOM 0 H LEU A 26 -1.087 -0.253 -19.171 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.501 -1.346 -21.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.397 -0.875 -20.281 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.700 -1.028 -21.882 1.00 0.00 H new ATOM 0 HG LEU A 26 1.155 1.283 -19.999 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.657 2.577 -21.461 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.510 1.238 -20.656 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.044 1.095 -22.368 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.264 2.377 -22.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.555 0.887 -22.948 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.632 0.892 -21.622 1.00 0.00 H new ATOM 349 N GLU A 27 -0.148 -3.436 -19.139 1.00 0.00 N ATOM 350 CA GLU A 27 0.084 -4.824 -18.757 1.00 0.00 C ATOM 351 C GLU A 27 -0.941 -5.747 -19.411 1.00 0.00 C ATOM 352 O GLU A 27 -0.610 -6.527 -20.304 1.00 0.00 O ATOM 353 CB GLU A 27 0.026 -4.975 -17.236 1.00 0.00 C ATOM 354 CG GLU A 27 1.246 -4.420 -16.522 1.00 0.00 C ATOM 355 CD GLU A 27 2.337 -5.457 -16.337 1.00 0.00 C ATOM 356 OE1 GLU A 27 3.032 -5.770 -17.326 1.00 0.00 O ATOM 357 OE2 GLU A 27 2.494 -5.956 -15.203 1.00 0.00 O ATOM 0 H GLU A 27 -0.976 -3.015 -18.718 1.00 0.00 H new ATOM 0 HA GLU A 27 1.077 -5.108 -19.105 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.864 -4.469 -16.863 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.080 -6.031 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.643 -3.578 -17.090 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.947 -4.035 -15.547 1.00 0.00 H new ATOM 364 N LEU A 28 -2.186 -5.652 -18.958 1.00 0.00 N ATOM 365 CA LEU A 28 -3.261 -6.477 -19.497 1.00 0.00 C ATOM 366 C LEU A 28 -4.618 -6.011 -18.979 1.00 0.00 C ATOM 367 O LEU A 28 -4.759 -5.656 -17.808 1.00 0.00 O ATOM 368 CB LEU A 28 -3.038 -7.945 -19.128 1.00 0.00 C ATOM 369 CG LEU A 28 -4.205 -8.892 -19.408 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.591 -8.843 -20.878 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.849 -10.313 -18.996 1.00 0.00 C ATOM 0 H LEU A 28 -2.476 -5.012 -18.219 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.253 -6.376 -20.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.165 -8.307 -19.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.799 -8.000 -18.066 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.061 -8.567 -18.817 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.423 -9.523 -21.059 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.888 -7.828 -21.143 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.739 -9.142 -21.488 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.691 -10.973 -19.202 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.978 -10.648 -19.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.622 -10.337 -17.930 1.00 0.00 H new ATOM 383 N LEU A 29 -5.615 -6.017 -19.857 1.00 0.00 N ATOM 384 CA LEU A 29 -6.962 -5.596 -19.488 1.00 0.00 C ATOM 385 C LEU A 29 -7.947 -6.755 -19.612 1.00 0.00 C ATOM 386 O LEU A 29 -8.540 -6.970 -20.670 1.00 0.00 O ATOM 387 CB LEU A 29 -7.414 -4.431 -20.371 1.00 0.00 C ATOM 388 CG LEU A 29 -7.043 -3.032 -19.877 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.782 -1.971 -20.677 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.347 -2.893 -18.393 1.00 0.00 C ATOM 0 H LEU A 29 -5.516 -6.309 -20.829 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.942 -5.269 -18.448 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.989 -4.568 -21.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.498 -4.481 -20.478 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.973 -2.887 -20.023 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.506 -0.982 -20.312 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.514 -2.057 -21.730 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.857 -2.113 -20.564 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.077 -1.891 -18.059 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.411 -3.058 -18.223 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.771 -3.630 -17.833 1.00 0.00 H new ATOM 402 N THR A 30 -8.119 -7.498 -18.524 1.00 0.00 N ATOM 403 CA THR A 30 -9.032 -8.633 -18.510 1.00 0.00 C ATOM 404 C THR A 30 -10.472 -8.179 -18.296 1.00 0.00 C ATOM 405 O THR A 30 -11.311 -8.309 -19.186 1.00 0.00 O ATOM 406 CB THR A 30 -8.656 -9.643 -17.409 1.00 0.00 C ATOM 407 OG1 THR A 30 -7.240 -9.856 -17.402 1.00 0.00 O ATOM 408 CG2 THR A 30 -9.372 -10.969 -17.623 1.00 0.00 C ATOM 0 H THR A 30 -7.637 -7.334 -17.640 1.00 0.00 H new ATOM 0 HA THR A 30 -8.947 -9.118 -19.483 1.00 0.00 H new ATOM 0 HB THR A 30 -8.966 -9.231 -16.448 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.009 -10.498 -16.698 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.091 -11.666 -16.833 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.450 -10.809 -17.598 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.089 -11.383 -18.591 1.00 0.00 H new ATOM 416 N GLN A 31 -10.749 -7.645 -17.111 1.00 0.00 N ATOM 417 CA GLN A 31 -12.088 -7.171 -16.782 1.00 0.00 C ATOM 418 C GLN A 31 -12.079 -5.674 -16.489 1.00 0.00 C ATOM 419 O GLN A 31 -12.418 -5.229 -15.392 1.00 0.00 O ATOM 420 CB GLN A 31 -12.640 -7.934 -15.577 1.00 0.00 C ATOM 421 CG GLN A 31 -13.308 -9.250 -15.945 1.00 0.00 C ATOM 422 CD GLN A 31 -13.317 -10.240 -14.797 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.306 -9.854 -13.628 1.00 0.00 O ATOM 424 NE2 GLN A 31 -13.338 -11.527 -15.125 1.00 0.00 N ATOM 0 H GLN A 31 -10.065 -7.530 -16.363 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.731 -7.351 -17.643 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.827 -8.132 -14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.361 -7.303 -15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.333 -9.057 -16.261 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.789 -9.691 -16.796 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.347 -11.803 -16.107 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.346 -12.239 -14.395 1.00 0.00 H new ATOM 433 N PRO A 32 -11.681 -4.877 -17.492 1.00 0.00 N ATOM 434 CA PRO A 32 -11.618 -3.418 -17.366 1.00 0.00 C ATOM 435 C PRO A 32 -13.002 -2.783 -17.280 1.00 0.00 C ATOM 436 O PRO A 32 -14.017 -3.481 -17.279 1.00 0.00 O ATOM 437 CB PRO A 32 -10.908 -2.981 -18.650 1.00 0.00 C ATOM 438 CG PRO A 32 -11.191 -4.069 -19.628 1.00 0.00 C ATOM 439 CD PRO A 32 -11.262 -5.339 -18.826 1.00 0.00 C ATOM 0 HA PRO A 32 -11.107 -3.110 -16.454 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.286 -2.022 -19.004 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.837 -2.862 -18.489 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.128 -3.887 -20.154 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.408 -4.128 -20.384 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.978 -6.043 -19.251 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.298 -5.847 -18.791 1.00 0.00 H new ATOM 447 N LEU A 33 -13.036 -1.457 -17.210 1.00 0.00 N ATOM 448 CA LEU A 33 -14.297 -0.728 -17.125 1.00 0.00 C ATOM 449 C LEU A 33 -14.605 -0.017 -18.439 1.00 0.00 C ATOM 450 O LEU A 33 -13.706 0.251 -19.236 1.00 0.00 O ATOM 451 CB LEU A 33 -14.245 0.289 -15.982 1.00 0.00 C ATOM 452 CG LEU A 33 -13.715 -0.231 -14.646 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.810 0.848 -13.578 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.477 -1.476 -14.217 1.00 0.00 C ATOM 0 H LEU A 33 -12.206 -0.865 -17.210 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.091 -1.448 -16.928 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.623 1.127 -16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.250 0.680 -15.824 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.666 -0.498 -14.773 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.428 0.460 -12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.219 1.712 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.851 1.146 -13.453 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.086 -1.832 -13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.535 -1.236 -14.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.357 -2.254 -14.971 1.00 0.00 H new ATOM 466 N SER A 34 -15.880 0.287 -18.657 1.00 0.00 N ATOM 467 CA SER A 34 -16.307 0.965 -19.875 1.00 0.00 C ATOM 468 C SER A 34 -16.559 2.447 -19.612 1.00 0.00 C ATOM 469 O SER A 34 -16.830 2.851 -18.480 1.00 0.00 O ATOM 470 CB SER A 34 -17.574 0.311 -20.430 1.00 0.00 C ATOM 471 OG SER A 34 -18.101 1.059 -21.512 1.00 0.00 O ATOM 0 H SER A 34 -16.636 0.074 -18.006 1.00 0.00 H new ATOM 0 HA SER A 34 -15.508 0.875 -20.611 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.349 -0.703 -20.760 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.321 0.231 -19.641 1.00 0.00 H new ATOM 0 HG SER A 34 -18.909 0.620 -21.850 1.00 0.00 H new ATOM 477 N LEU A 35 -16.468 3.251 -20.665 1.00 0.00 N ATOM 478 CA LEU A 35 -16.685 4.689 -20.550 1.00 0.00 C ATOM 479 C LEU A 35 -17.547 5.203 -21.698 1.00 0.00 C ATOM 480 O LEU A 35 -17.793 4.489 -22.671 1.00 0.00 O ATOM 481 CB LEU A 35 -15.346 5.428 -20.532 1.00 0.00 C ATOM 482 CG LEU A 35 -14.229 4.773 -19.719 1.00 0.00 C ATOM 483 CD1 LEU A 35 -12.924 5.535 -19.894 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.612 4.698 -18.249 1.00 0.00 C ATOM 0 H LEU A 35 -16.246 2.932 -21.608 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.209 4.878 -19.613 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.002 5.540 -21.560 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.513 6.431 -20.140 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.085 3.757 -20.088 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.141 5.054 -19.308 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.641 5.535 -20.947 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.054 6.562 -19.553 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.805 4.229 -17.686 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.784 5.704 -17.866 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.522 4.107 -18.140 1.00 0.00 H new ATOM 496 N ASP A 36 -18.002 6.446 -21.580 1.00 0.00 N ATOM 497 CA ASP A 36 -18.833 7.057 -22.610 1.00 0.00 C ATOM 498 C ASP A 36 -17.973 7.666 -23.713 1.00 0.00 C ATOM 499 O ASP A 36 -18.457 8.448 -24.532 1.00 0.00 O ATOM 500 CB ASP A 36 -19.734 8.131 -21.998 1.00 0.00 C ATOM 501 CG ASP A 36 -20.440 7.649 -20.746 1.00 0.00 C ATOM 502 OD1 ASP A 36 -19.803 7.638 -19.672 1.00 0.00 O ATOM 503 OD2 ASP A 36 -21.630 7.283 -20.840 1.00 0.00 O ATOM 0 H ASP A 36 -17.809 7.050 -20.781 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.456 6.277 -23.049 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.136 9.010 -21.759 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.476 8.441 -22.734 1.00 0.00 H new ATOM 508 N CYS A 37 -16.695 7.302 -23.728 1.00 0.00 N ATOM 509 CA CYS A 37 -15.766 7.813 -24.729 1.00 0.00 C ATOM 510 C CYS A 37 -15.352 6.711 -25.700 1.00 0.00 C ATOM 511 O CYS A 37 -15.289 6.926 -26.910 1.00 0.00 O ATOM 512 CB CYS A 37 -14.527 8.402 -24.051 1.00 0.00 C ATOM 513 SG CYS A 37 -13.370 7.154 -23.402 1.00 0.00 S ATOM 0 H CYS A 37 -16.279 6.655 -23.058 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.272 8.597 -25.292 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.000 9.033 -24.767 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.846 9.047 -23.232 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.407 6.970 -24.255 1.00 0.00 H new ATOM 518 N GLY A 38 -15.072 5.528 -25.160 1.00 0.00 N ATOM 519 CA GLY A 38 -14.669 4.410 -25.992 1.00 0.00 C ATOM 520 C GLY A 38 -13.283 3.902 -25.648 1.00 0.00 C ATOM 521 O GLY A 38 -12.456 3.682 -26.534 1.00 0.00 O ATOM 0 H GLY A 38 -15.117 5.325 -24.161 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.388 3.599 -25.879 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.692 4.713 -27.039 1.00 0.00 H new ATOM 525 N HIS A 39 -13.026 3.715 -24.357 1.00 0.00 N ATOM 526 CA HIS A 39 -11.730 3.230 -23.898 1.00 0.00 C ATOM 527 C HIS A 39 -11.863 2.507 -22.561 1.00 0.00 C ATOM 528 O HIS A 39 -12.557 2.974 -21.658 1.00 0.00 O ATOM 529 CB HIS A 39 -10.744 4.392 -23.766 1.00 0.00 C ATOM 530 CG HIS A 39 -10.403 5.039 -25.073 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.661 6.366 -25.346 1.00 0.00 N ATOM 532 CD2 HIS A 39 -9.820 4.535 -26.185 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.253 6.649 -26.570 1.00 0.00 C ATOM 534 NE2 HIS A 39 -9.738 5.555 -27.101 1.00 0.00 N ATOM 0 H HIS A 39 -13.698 3.892 -23.611 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.352 2.524 -24.637 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.167 5.142 -23.098 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.828 4.029 -23.299 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.482 3.519 -26.326 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.328 7.611 -27.054 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.344 5.480 -28.039 1.00 0.00 H new ATOM 542 N SER A 40 -11.194 1.365 -22.443 1.00 0.00 N ATOM 543 CA SER A 40 -11.241 0.574 -21.218 1.00 0.00 C ATOM 544 C SER A 40 -10.001 0.821 -20.364 1.00 0.00 C ATOM 545 O SER A 40 -8.959 1.241 -20.868 1.00 0.00 O ATOM 546 CB SER A 40 -11.358 -0.915 -21.551 1.00 0.00 C ATOM 547 OG SER A 40 -12.022 -1.110 -22.787 1.00 0.00 O ATOM 0 H SER A 40 -10.613 0.966 -23.180 1.00 0.00 H new ATOM 0 HA SER A 40 -12.119 0.881 -20.650 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.364 -1.360 -21.594 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.902 -1.427 -20.757 1.00 0.00 H new ATOM 0 HG SER A 40 -12.083 -2.069 -22.978 1.00 0.00 H new ATOM 553 N PHE A 41 -10.121 0.556 -19.067 1.00 0.00 N ATOM 554 CA PHE A 41 -9.011 0.749 -18.142 1.00 0.00 C ATOM 555 C PHE A 41 -9.159 -0.153 -16.920 1.00 0.00 C ATOM 556 O PHE A 41 -10.119 -0.915 -16.808 1.00 0.00 O ATOM 557 CB PHE A 41 -8.934 2.213 -17.703 1.00 0.00 C ATOM 558 CG PHE A 41 -8.876 3.180 -18.851 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.021 3.500 -19.563 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.678 3.770 -19.217 1.00 0.00 C ATOM 561 CE1 PHE A 41 -9.971 4.389 -20.619 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.621 4.661 -20.273 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.770 4.971 -20.974 1.00 0.00 C ATOM 0 H PHE A 41 -10.976 0.207 -18.633 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.089 0.483 -18.659 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.802 2.445 -17.086 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.052 2.351 -17.077 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.963 3.049 -19.289 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.777 3.531 -18.671 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.870 4.629 -21.167 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.680 5.114 -20.549 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.729 5.667 -21.798 1.00 0.00 H new ATOM 573 N CYS A 42 -8.199 -0.061 -16.005 1.00 0.00 N ATOM 574 CA CYS A 42 -8.220 -0.868 -14.791 1.00 0.00 C ATOM 575 C CYS A 42 -9.000 -0.165 -13.684 1.00 0.00 C ATOM 576 O CYS A 42 -8.811 1.026 -13.438 1.00 0.00 O ATOM 577 CB CYS A 42 -6.793 -1.156 -14.320 1.00 0.00 C ATOM 578 SG CYS A 42 -5.794 -2.105 -15.512 1.00 0.00 S ATOM 0 H CYS A 42 -7.397 0.565 -16.082 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.717 -1.811 -15.020 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.292 -0.210 -14.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.836 -1.705 -13.380 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.316 -1.301 -16.414 1.00 0.00 H new ATOM 583 N GLN A 43 -9.876 -0.912 -13.019 1.00 0.00 N ATOM 584 CA GLN A 43 -10.685 -0.360 -11.939 1.00 0.00 C ATOM 585 C GLN A 43 -9.833 0.486 -10.998 1.00 0.00 C ATOM 586 O GLN A 43 -10.344 1.363 -10.303 1.00 0.00 O ATOM 587 CB GLN A 43 -11.366 -1.485 -11.157 1.00 0.00 C ATOM 588 CG GLN A 43 -12.110 -1.004 -9.922 1.00 0.00 C ATOM 589 CD GLN A 43 -13.282 -1.896 -9.562 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.314 -1.423 -9.085 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.129 -3.195 -9.790 1.00 0.00 N ATOM 0 H GLN A 43 -10.043 -1.900 -13.209 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.449 0.279 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.066 -2.001 -11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.614 -2.214 -10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.419 -0.961 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.469 0.011 -10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.256 -3.544 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.884 -3.844 -9.568 1.00 0.00 H new ATOM 600 N ALA A 44 -8.532 0.214 -10.981 1.00 0.00 N ATOM 601 CA ALA A 44 -7.609 0.951 -10.127 1.00 0.00 C ATOM 602 C ALA A 44 -6.938 2.086 -10.894 1.00 0.00 C ATOM 603 O ALA A 44 -7.061 3.255 -10.528 1.00 0.00 O ATOM 604 CB ALA A 44 -6.562 0.012 -9.547 1.00 0.00 C ATOM 0 H ALA A 44 -8.094 -0.511 -11.549 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.181 1.389 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.880 0.576 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.054 -0.760 -8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.002 -0.453 -10.358 1.00 0.00 H new ATOM 610 N CYS A 45 -6.227 1.733 -11.960 1.00 0.00 N ATOM 611 CA CYS A 45 -5.534 2.721 -12.779 1.00 0.00 C ATOM 612 C CYS A 45 -6.405 3.955 -12.995 1.00 0.00 C ATOM 613 O CYS A 45 -5.908 5.081 -13.028 1.00 0.00 O ATOM 614 CB CYS A 45 -5.146 2.114 -14.128 1.00 0.00 C ATOM 615 SG CYS A 45 -3.905 0.785 -14.017 1.00 0.00 S ATOM 0 H CYS A 45 -6.116 0.770 -12.277 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.630 3.024 -12.251 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.042 1.721 -14.608 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.760 2.904 -14.772 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.327 -0.258 -14.667 1.00 0.00 H new ATOM 620 N LEU A 46 -7.707 3.735 -13.142 1.00 0.00 N ATOM 621 CA LEU A 46 -8.649 4.828 -13.355 1.00 0.00 C ATOM 622 C LEU A 46 -8.754 5.706 -12.112 1.00 0.00 C ATOM 623 O LEU A 46 -8.769 6.934 -12.205 1.00 0.00 O ATOM 624 CB LEU A 46 -10.027 4.276 -13.722 1.00 0.00 C ATOM 625 CG LEU A 46 -10.326 4.157 -15.217 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.404 3.113 -15.464 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.746 5.505 -15.786 1.00 0.00 C ATOM 0 H LEU A 46 -8.134 2.809 -13.118 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.279 5.439 -14.178 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.133 3.289 -13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.785 4.916 -13.270 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.416 3.838 -15.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.604 3.042 -16.533 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.065 2.146 -15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.317 3.402 -14.943 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.955 5.401 -16.851 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.642 5.853 -15.273 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.942 6.227 -15.643 1.00 0.00 H new ATOM 639 N THR A 47 -8.826 5.068 -10.948 1.00 0.00 N ATOM 640 CA THR A 47 -8.928 5.790 -9.686 1.00 0.00 C ATOM 641 C THR A 47 -7.728 6.706 -9.477 1.00 0.00 C ATOM 642 O THR A 47 -7.818 7.711 -8.773 1.00 0.00 O ATOM 643 CB THR A 47 -9.035 4.822 -8.492 1.00 0.00 C ATOM 644 OG1 THR A 47 -9.728 5.454 -7.410 1.00 0.00 O ATOM 645 CG2 THR A 47 -7.655 4.381 -8.029 1.00 0.00 C ATOM 0 H THR A 47 -8.816 4.052 -10.853 1.00 0.00 H new ATOM 0 HA THR A 47 -9.835 6.392 -9.739 1.00 0.00 H new ATOM 0 HB THR A 47 -9.591 3.942 -8.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.793 4.832 -6.656 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.755 3.698 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.141 3.875 -8.846 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.078 5.254 -7.723 1.00 0.00 H new ATOM 653 N ALA A 48 -6.606 6.353 -10.094 1.00 0.00 N ATOM 654 CA ALA A 48 -5.388 7.146 -9.978 1.00 0.00 C ATOM 655 C ALA A 48 -5.367 8.274 -11.004 1.00 0.00 C ATOM 656 O ALA A 48 -5.016 9.409 -10.685 1.00 0.00 O ATOM 657 CB ALA A 48 -4.163 6.259 -10.142 1.00 0.00 C ATOM 0 H ALA A 48 -6.515 5.523 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.369 7.593 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.261 6.864 -10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.163 5.492 -9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.186 5.784 -11.123 1.00 0.00 H new ATOM 663 N ASN A 49 -5.746 7.953 -12.237 1.00 0.00 N ATOM 664 CA ASN A 49 -5.769 8.940 -13.310 1.00 0.00 C ATOM 665 C ASN A 49 -6.760 10.058 -13.000 1.00 0.00 C ATOM 666 O ASN A 49 -6.447 11.239 -13.148 1.00 0.00 O ATOM 667 CB ASN A 49 -6.135 8.273 -14.638 1.00 0.00 C ATOM 668 CG ASN A 49 -6.551 9.277 -15.695 1.00 0.00 C ATOM 669 OD1 ASN A 49 -5.708 9.866 -16.373 1.00 0.00 O ATOM 670 ND2 ASN A 49 -7.855 9.478 -15.840 1.00 0.00 N ATOM 0 H ASN A 49 -6.041 7.018 -12.517 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.772 9.374 -13.391 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.282 7.700 -15.001 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.947 7.565 -14.474 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.194 10.143 -16.535 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.518 8.968 -15.256 1.00 0.00 H new ATOM 677 N HIS A 50 -7.958 9.676 -12.569 1.00 0.00 N ATOM 678 CA HIS A 50 -8.996 10.645 -12.236 1.00 0.00 C ATOM 679 C HIS A 50 -8.580 11.499 -11.042 1.00 0.00 C ATOM 680 O HIS A 50 -8.825 12.705 -11.012 1.00 0.00 O ATOM 681 CB HIS A 50 -10.313 9.931 -11.933 1.00 0.00 C ATOM 682 CG HIS A 50 -10.961 9.330 -13.142 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.875 8.299 -13.073 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.824 9.622 -14.457 1.00 0.00 C ATOM 685 CE1 HIS A 50 -12.270 7.982 -14.293 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.648 8.770 -15.151 1.00 0.00 N ATOM 0 H HIS A 50 -8.234 8.702 -12.442 1.00 0.00 H new ATOM 0 HA HIS A 50 -9.136 11.299 -13.097 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.130 9.145 -11.200 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.004 10.639 -11.475 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.186 10.383 -14.881 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.981 7.209 -14.546 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.761 8.749 -16.164 1.00 0.00 H new ATOM 694 N LYS A 51 -7.949 10.865 -10.059 1.00 0.00 N ATOM 695 CA LYS A 51 -7.498 11.564 -8.862 1.00 0.00 C ATOM 696 C LYS A 51 -6.172 12.275 -9.115 1.00 0.00 C ATOM 697 O LYS A 51 -5.630 12.934 -8.228 1.00 0.00 O ATOM 698 CB LYS A 51 -7.348 10.582 -7.698 1.00 0.00 C ATOM 699 CG LYS A 51 -5.962 9.971 -7.592 1.00 0.00 C ATOM 700 CD LYS A 51 -5.968 8.720 -6.731 1.00 0.00 C ATOM 701 CE LYS A 51 -5.762 9.053 -5.261 1.00 0.00 C ATOM 702 NZ LYS A 51 -6.833 9.946 -4.740 1.00 0.00 N ATOM 0 H LYS A 51 -7.738 9.867 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.248 12.311 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.581 11.098 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.080 9.783 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.594 9.726 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.273 10.702 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.915 8.195 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.182 8.043 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.742 8.132 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.793 9.534 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.898 9.844 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.607 10.933 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.743 9.686 -5.172 1.00 0.00 H new ATOM 716 N LYS A 52 -5.655 12.139 -10.331 1.00 0.00 N ATOM 717 CA LYS A 52 -4.395 12.770 -10.703 1.00 0.00 C ATOM 718 C LYS A 52 -4.628 14.183 -11.229 1.00 0.00 C ATOM 719 O LYS A 52 -4.023 15.141 -10.750 1.00 0.00 O ATOM 720 CB LYS A 52 -3.674 11.932 -11.761 1.00 0.00 C ATOM 721 CG LYS A 52 -2.283 12.443 -12.097 1.00 0.00 C ATOM 722 CD LYS A 52 -2.321 13.469 -13.217 1.00 0.00 C ATOM 723 CE LYS A 52 -0.979 14.166 -13.379 1.00 0.00 C ATOM 724 NZ LYS A 52 -0.912 14.954 -14.642 1.00 0.00 N ATOM 0 H LYS A 52 -6.090 11.596 -11.077 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.771 12.832 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.599 10.903 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.275 11.914 -12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.834 12.889 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.648 11.607 -12.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.593 12.979 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.094 14.209 -13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.808 14.827 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.181 13.424 -13.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.083 15.114 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.386 14.429 -15.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.386 15.870 -14.505 1.00 0.00 H new ATOM 738 N SER A 53 -5.509 14.303 -12.217 1.00 0.00 N ATOM 739 CA SER A 53 -5.820 15.599 -12.810 1.00 0.00 C ATOM 740 C SER A 53 -6.054 16.649 -11.728 1.00 0.00 C ATOM 741 O SER A 53 -5.632 17.797 -11.861 1.00 0.00 O ATOM 742 CB SER A 53 -7.055 15.490 -13.707 1.00 0.00 C ATOM 743 OG SER A 53 -8.171 15.006 -12.980 1.00 0.00 O ATOM 0 H SER A 53 -6.020 13.519 -12.624 1.00 0.00 H new ATOM 0 HA SER A 53 -4.967 15.909 -13.414 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.288 16.467 -14.130 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.844 14.823 -14.543 1.00 0.00 H new ATOM 0 HG SER A 53 -8.195 14.028 -13.031 1.00 0.00 H new ATOM 749 N MET A 54 -6.730 16.246 -10.657 1.00 0.00 N ATOM 750 CA MET A 54 -7.020 17.151 -9.552 1.00 0.00 C ATOM 751 C MET A 54 -5.871 18.130 -9.335 1.00 0.00 C ATOM 752 O MET A 54 -6.086 19.336 -9.202 1.00 0.00 O ATOM 753 CB MET A 54 -7.278 16.358 -8.269 1.00 0.00 C ATOM 754 CG MET A 54 -8.743 16.015 -8.051 1.00 0.00 C ATOM 755 SD MET A 54 -9.356 14.801 -9.235 1.00 0.00 S ATOM 756 CE MET A 54 -10.159 15.869 -10.429 1.00 0.00 C ATOM 0 H MET A 54 -7.087 15.299 -10.531 1.00 0.00 H new ATOM 0 HA MET A 54 -7.915 17.719 -9.806 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.698 15.436 -8.299 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.917 16.934 -7.417 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.875 15.630 -7.040 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.340 16.924 -8.126 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.780 15.269 -11.094 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.782 16.595 -9.907 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.404 16.394 -11.014 1.00 0.00 H new ATOM 766 N LEU A 55 -4.651 17.606 -9.300 1.00 0.00 N ATOM 767 CA LEU A 55 -3.467 18.434 -9.100 1.00 0.00 C ATOM 768 C LEU A 55 -3.104 19.184 -10.377 1.00 0.00 C ATOM 769 O LEU A 55 -2.655 20.329 -10.330 1.00 0.00 O ATOM 770 CB LEU A 55 -2.287 17.571 -8.649 1.00 0.00 C ATOM 771 CG LEU A 55 -2.502 16.754 -7.374 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.152 15.419 -7.699 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.181 16.544 -6.647 1.00 0.00 C ATOM 0 H LEU A 55 -4.456 16.611 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.693 19.165 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.034 16.885 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.424 18.220 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.171 17.310 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.297 14.852 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.117 15.591 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.509 14.856 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.352 15.961 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.489 16.010 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.755 17.511 -6.380 1.00 0.00 H new ATOM 785 N ASP A 56 -3.304 18.531 -11.517 1.00 0.00 N ATOM 786 CA ASP A 56 -3.001 19.138 -12.808 1.00 0.00 C ATOM 787 C ASP A 56 -3.776 20.439 -12.993 1.00 0.00 C ATOM 788 O ASP A 56 -3.199 21.526 -12.969 1.00 0.00 O ATOM 789 CB ASP A 56 -3.334 18.166 -13.942 1.00 0.00 C ATOM 790 CG ASP A 56 -2.589 18.493 -15.222 1.00 0.00 C ATOM 791 OD1 ASP A 56 -2.790 19.603 -15.757 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.806 17.639 -15.687 1.00 0.00 O ATOM 0 H ASP A 56 -3.674 17.582 -11.573 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.935 19.365 -12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.088 17.151 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.407 18.189 -14.133 1.00 0.00 H new ATOM 797 N LYS A 57 -5.086 20.320 -13.178 1.00 0.00 N ATOM 798 CA LYS A 57 -5.942 21.486 -13.367 1.00 0.00 C ATOM 799 C LYS A 57 -7.122 21.456 -12.402 1.00 0.00 C ATOM 800 O LYS A 57 -7.460 22.467 -11.788 1.00 0.00 O ATOM 801 CB LYS A 57 -6.450 21.543 -14.810 1.00 0.00 C ATOM 802 CG LYS A 57 -5.338 21.584 -15.844 1.00 0.00 C ATOM 803 CD LYS A 57 -5.852 21.222 -17.228 1.00 0.00 C ATOM 804 CE LYS A 57 -4.712 20.861 -18.169 1.00 0.00 C ATOM 805 NZ LYS A 57 -5.195 20.613 -19.555 1.00 0.00 N ATOM 0 H LYS A 57 -5.579 19.427 -13.201 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.350 22.378 -13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.079 20.673 -15.000 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.080 22.425 -14.930 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.898 22.581 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.546 20.892 -15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.543 20.382 -17.153 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.413 22.061 -17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.980 21.668 -18.179 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.202 19.972 -17.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.389 20.370 -20.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.875 19.826 -19.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.659 21.469 -19.919 1.00 0.00 H new ATOM 819 N GLY A 58 -7.746 20.289 -12.272 1.00 0.00 N ATOM 820 CA GLY A 58 -8.882 20.150 -11.379 1.00 0.00 C ATOM 821 C GLY A 58 -10.102 19.584 -12.077 1.00 0.00 C ATOM 822 O GLY A 58 -11.202 20.121 -11.949 1.00 0.00 O ATOM 0 H GLY A 58 -7.485 19.437 -12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.609 19.500 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.129 21.124 -10.955 1.00 0.00 H new ATOM 826 N GLU A 59 -9.908 18.498 -12.818 1.00 0.00 N ATOM 827 CA GLU A 59 -11.003 17.861 -13.541 1.00 0.00 C ATOM 828 C GLU A 59 -10.544 16.554 -14.181 1.00 0.00 C ATOM 829 O GLU A 59 -9.502 16.502 -14.833 1.00 0.00 O ATOM 830 CB GLU A 59 -11.550 18.803 -14.615 1.00 0.00 C ATOM 831 CG GLU A 59 -10.499 19.274 -15.605 1.00 0.00 C ATOM 832 CD GLU A 59 -11.044 20.279 -16.601 1.00 0.00 C ATOM 833 OE1 GLU A 59 -11.175 21.466 -16.235 1.00 0.00 O ATOM 834 OE2 GLU A 59 -11.339 19.879 -17.746 1.00 0.00 O ATOM 0 H GLU A 59 -9.004 18.041 -12.934 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.795 17.637 -12.827 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.347 18.296 -15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.996 19.672 -14.131 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.668 19.722 -15.061 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.101 18.414 -16.143 1.00 0.00 H new ATOM 841 N SER A 60 -11.331 15.500 -13.989 1.00 0.00 N ATOM 842 CA SER A 60 -11.004 14.191 -14.543 1.00 0.00 C ATOM 843 C SER A 60 -11.352 14.127 -16.027 1.00 0.00 C ATOM 844 O SER A 60 -12.213 14.865 -16.506 1.00 0.00 O ATOM 845 CB SER A 60 -11.751 13.092 -13.785 1.00 0.00 C ATOM 846 OG SER A 60 -13.148 13.335 -13.778 1.00 0.00 O ATOM 0 H SER A 60 -12.199 15.527 -13.454 1.00 0.00 H new ATOM 0 HA SER A 60 -9.931 14.035 -14.432 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.549 12.126 -14.247 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.383 13.038 -12.760 1.00 0.00 H new ATOM 0 HG SER A 60 -13.602 12.618 -13.289 1.00 0.00 H new ATOM 852 N SER A 61 -10.676 13.240 -16.749 1.00 0.00 N ATOM 853 CA SER A 61 -10.909 13.082 -18.180 1.00 0.00 C ATOM 854 C SER A 61 -10.103 11.912 -18.736 1.00 0.00 C ATOM 855 O SER A 61 -8.958 11.688 -18.340 1.00 0.00 O ATOM 856 CB SER A 61 -10.543 14.368 -18.923 1.00 0.00 C ATOM 857 OG SER A 61 -11.658 15.237 -19.018 1.00 0.00 O ATOM 0 H SER A 61 -9.962 12.619 -16.367 1.00 0.00 H new ATOM 0 HA SER A 61 -11.968 12.874 -18.330 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.728 14.872 -18.404 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.182 14.124 -19.922 1.00 0.00 H new ATOM 0 HG SER A 61 -11.996 15.434 -18.120 1.00 0.00 H new ATOM 863 N CYS A 62 -10.708 11.169 -19.656 1.00 0.00 N ATOM 864 CA CYS A 62 -10.048 10.021 -20.268 1.00 0.00 C ATOM 865 C CYS A 62 -8.603 10.353 -20.628 1.00 0.00 C ATOM 866 O CYS A 62 -8.322 11.297 -21.367 1.00 0.00 O ATOM 867 CB CYS A 62 -10.808 9.577 -21.519 1.00 0.00 C ATOM 868 SG CYS A 62 -10.113 8.098 -22.325 1.00 0.00 S ATOM 0 H CYS A 62 -11.655 11.341 -19.995 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.045 9.206 -19.544 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.845 9.377 -21.249 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.817 10.398 -22.236 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.067 7.431 -22.904 1.00 0.00 H new ATOM 873 N PRO A 63 -7.663 9.559 -20.094 1.00 0.00 N ATOM 874 CA PRO A 63 -6.231 9.747 -20.346 1.00 0.00 C ATOM 875 C PRO A 63 -5.845 9.405 -21.781 1.00 0.00 C ATOM 876 O PRO A 63 -4.673 9.473 -22.152 1.00 0.00 O ATOM 877 CB PRO A 63 -5.568 8.774 -19.367 1.00 0.00 C ATOM 878 CG PRO A 63 -6.594 7.721 -19.126 1.00 0.00 C ATOM 879 CD PRO A 63 -7.926 8.415 -19.205 1.00 0.00 C ATOM 0 HA PRO A 63 -5.926 10.784 -20.210 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.656 8.349 -19.787 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.289 9.274 -18.440 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.522 6.928 -19.871 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.454 7.255 -18.150 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.697 7.760 -19.611 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.269 8.740 -18.223 1.00 0.00 H new ATOM 887 N VAL A 64 -6.837 9.038 -22.585 1.00 0.00 N ATOM 888 CA VAL A 64 -6.601 8.687 -23.980 1.00 0.00 C ATOM 889 C VAL A 64 -7.133 9.767 -24.916 1.00 0.00 C ATOM 890 O VAL A 64 -6.382 10.348 -25.701 1.00 0.00 O ATOM 891 CB VAL A 64 -7.260 7.342 -24.340 1.00 0.00 C ATOM 892 CG1 VAL A 64 -6.995 6.990 -25.796 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.760 6.241 -23.417 1.00 0.00 C ATOM 0 H VAL A 64 -7.813 8.976 -22.294 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.522 8.600 -24.106 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.337 7.437 -24.205 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.468 6.037 -26.032 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.406 7.768 -26.439 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.920 6.912 -25.962 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.236 5.298 -23.685 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.679 6.144 -23.518 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.007 6.491 -22.385 1.00 0.00 H new ATOM 903 N CYS A 65 -8.431 10.033 -24.826 1.00 0.00 N ATOM 904 CA CYS A 65 -9.065 11.043 -25.665 1.00 0.00 C ATOM 905 C CYS A 65 -9.405 12.289 -24.852 1.00 0.00 C ATOM 906 O CYS A 65 -9.611 13.368 -25.407 1.00 0.00 O ATOM 907 CB CYS A 65 -10.333 10.480 -26.309 1.00 0.00 C ATOM 908 SG CYS A 65 -11.548 9.831 -25.117 1.00 0.00 S ATOM 0 H CYS A 65 -9.065 9.563 -24.180 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.361 11.322 -26.449 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.805 11.263 -26.902 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.054 9.683 -26.998 1.00 0.00 H new ATOM 0 HG CYS A 65 -10.928 9.187 -24.173 1.00 0.00 H new ATOM 913 N ARG A 66 -9.463 12.131 -23.533 1.00 0.00 N ATOM 914 CA ARG A 66 -9.779 13.242 -22.644 1.00 0.00 C ATOM 915 C ARG A 66 -11.098 13.897 -23.040 1.00 0.00 C ATOM 916 O ARG A 66 -11.212 15.123 -23.062 1.00 0.00 O ATOM 917 CB ARG A 66 -8.654 14.279 -22.669 1.00 0.00 C ATOM 918 CG ARG A 66 -7.465 13.909 -21.798 1.00 0.00 C ATOM 919 CD ARG A 66 -6.530 12.946 -22.511 1.00 0.00 C ATOM 920 NE ARG A 66 -5.700 13.624 -23.504 1.00 0.00 N ATOM 921 CZ ARG A 66 -4.565 13.123 -23.979 1.00 0.00 C ATOM 922 NH1 ARG A 66 -4.127 11.946 -23.553 1.00 0.00 N ATOM 923 NH2 ARG A 66 -3.866 13.799 -24.881 1.00 0.00 N ATOM 0 H ARG A 66 -9.295 11.244 -23.057 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.878 12.848 -21.633 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.314 14.409 -23.696 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.050 15.240 -22.340 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.919 14.812 -21.523 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.818 13.456 -20.872 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.890 12.453 -21.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.115 12.167 -22.999 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.009 14.532 -23.852 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.662 11.423 -22.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.255 11.563 -23.919 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.200 14.705 -25.211 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.995 13.413 -25.245 1.00 0.00 H new ATOM 937 N ILE A 67 -12.092 13.072 -23.352 1.00 0.00 N ATOM 938 CA ILE A 67 -13.404 13.572 -23.746 1.00 0.00 C ATOM 939 C ILE A 67 -14.166 14.124 -22.546 1.00 0.00 C ATOM 940 O ILE A 67 -13.803 13.871 -21.398 1.00 0.00 O ATOM 941 CB ILE A 67 -14.248 12.470 -24.414 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.429 13.088 -25.165 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.737 11.474 -23.374 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.114 12.126 -26.111 1.00 0.00 C ATOM 0 H ILE A 67 -12.014 12.055 -23.340 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.234 14.374 -24.464 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.623 11.938 -25.132 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.158 13.454 -24.442 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.078 13.952 -25.729 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.332 10.702 -23.861 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.881 11.015 -22.879 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.349 11.991 -22.635 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.941 12.632 -26.609 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.399 11.779 -26.857 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.496 11.273 -25.549 1.00 0.00 H new ATOM 956 N SER A 68 -15.225 14.878 -22.821 1.00 0.00 N ATOM 957 CA SER A 68 -16.038 15.467 -21.764 1.00 0.00 C ATOM 958 C SER A 68 -17.103 14.485 -21.286 1.00 0.00 C ATOM 959 O SER A 68 -17.964 14.061 -22.057 1.00 0.00 O ATOM 960 CB SER A 68 -16.701 16.754 -22.259 1.00 0.00 C ATOM 961 OG SER A 68 -16.907 17.665 -21.193 1.00 0.00 O ATOM 0 H SER A 68 -15.540 15.095 -23.766 1.00 0.00 H new ATOM 0 HA SER A 68 -15.383 15.703 -20.925 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.076 17.218 -23.022 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.656 16.517 -22.729 1.00 0.00 H new ATOM 0 HG SER A 68 -17.330 18.480 -21.536 1.00 0.00 H new ATOM 967 N TYR A 69 -17.038 14.127 -20.008 1.00 0.00 N ATOM 968 CA TYR A 69 -17.994 13.193 -19.426 1.00 0.00 C ATOM 969 C TYR A 69 -17.816 13.103 -17.913 1.00 0.00 C ATOM 970 O TYR A 69 -16.838 13.608 -17.362 1.00 0.00 O ATOM 971 CB TYR A 69 -17.832 11.807 -20.053 1.00 0.00 C ATOM 972 CG TYR A 69 -16.622 11.052 -19.549 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.400 11.691 -19.380 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.703 9.700 -19.241 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.293 11.005 -18.921 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.601 9.006 -18.780 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.398 9.662 -18.622 1.00 0.00 C ATOM 978 OH TYR A 69 -13.298 8.976 -18.163 1.00 0.00 O ATOM 0 H TYR A 69 -16.333 14.470 -19.356 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.998 13.564 -19.634 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.727 11.219 -19.850 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.759 11.913 -21.135 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.314 12.742 -19.612 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.643 9.183 -19.364 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.350 11.517 -18.797 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.681 7.955 -18.544 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.541 8.041 -17.999 1.00 0.00 H new ATOM 988 N GLN A 70 -18.767 12.454 -17.250 1.00 0.00 N ATOM 989 CA GLN A 70 -18.716 12.297 -15.801 1.00 0.00 C ATOM 990 C GLN A 70 -18.801 10.826 -15.410 1.00 0.00 C ATOM 991 O GLN A 70 -19.500 10.030 -16.038 1.00 0.00 O ATOM 992 CB GLN A 70 -19.854 13.079 -15.142 1.00 0.00 C ATOM 993 CG GLN A 70 -19.678 14.587 -15.214 1.00 0.00 C ATOM 994 CD GLN A 70 -18.756 15.120 -14.135 1.00 0.00 C ATOM 995 OE1 GLN A 70 -19.062 15.038 -12.945 1.00 0.00 O ATOM 996 NE2 GLN A 70 -17.619 15.670 -14.546 1.00 0.00 N ATOM 0 H GLN A 70 -19.582 12.029 -17.692 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.763 12.693 -15.451 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.795 12.808 -15.621 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.931 12.780 -14.097 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -19.280 14.856 -16.192 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -20.652 15.067 -15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.406 15.717 -15.542 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.959 16.046 -13.865 1.00 0.00 H new ATOM 1005 N PRO A 71 -18.072 10.453 -14.347 1.00 0.00 N ATOM 1006 CA PRO A 71 -18.049 9.075 -13.848 1.00 0.00 C ATOM 1007 C PRO A 71 -19.371 8.667 -13.208 1.00 0.00 C ATOM 1008 O PRO A 71 -19.697 7.483 -13.136 1.00 0.00 O ATOM 1009 CB PRO A 71 -16.932 9.096 -12.801 1.00 0.00 C ATOM 1010 CG PRO A 71 -16.862 10.514 -12.350 1.00 0.00 C ATOM 1011 CD PRO A 71 -17.216 11.348 -13.550 1.00 0.00 C ATOM 0 HA PRO A 71 -17.888 8.354 -14.650 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.156 8.427 -11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.984 8.769 -13.227 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.555 10.697 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.864 10.759 -11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.742 12.259 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.328 11.653 -14.104 1.00 0.00 H new ATOM 1019 N GLU A 72 -20.129 9.656 -12.744 1.00 0.00 N ATOM 1020 CA GLU A 72 -21.416 9.399 -12.109 1.00 0.00 C ATOM 1021 C GLU A 72 -22.289 8.510 -12.990 1.00 0.00 C ATOM 1022 O GLU A 72 -23.023 7.656 -12.495 1.00 0.00 O ATOM 1023 CB GLU A 72 -22.139 10.716 -11.819 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.429 11.588 -10.797 1.00 0.00 C ATOM 1025 CD GLU A 72 -22.228 12.823 -10.429 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -23.468 12.719 -10.324 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -21.612 13.894 -10.246 1.00 0.00 O ATOM 0 H GLU A 72 -19.874 10.642 -12.796 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.231 8.880 -11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -22.246 11.274 -12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -23.145 10.497 -11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.236 11.003 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.460 11.891 -11.194 1.00 0.00 H new ATOM 1034 N ASN A 73 -22.203 8.719 -14.300 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.986 7.938 -15.251 1.00 0.00 C ATOM 1036 C ASN A 73 -22.124 6.871 -15.919 1.00 0.00 C ATOM 1037 O ASN A 73 -22.166 6.697 -17.137 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.598 8.853 -16.314 1.00 0.00 C ATOM 1039 CG ASN A 73 -24.760 9.666 -15.777 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -25.685 9.123 -15.172 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -24.718 10.975 -15.996 1.00 0.00 N ATOM 0 H ASN A 73 -21.600 9.422 -14.727 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.787 7.443 -14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.831 9.528 -16.694 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.938 8.250 -17.156 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.472 11.573 -15.658 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.932 11.382 -16.502 1.00 0.00 H new ATOM 1048 N ILE A 74 -21.342 6.160 -15.113 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.472 5.109 -15.625 1.00 0.00 C ATOM 1050 C ILE A 74 -20.407 3.930 -14.661 1.00 0.00 C ATOM 1051 O ILE A 74 -20.266 4.111 -13.452 1.00 0.00 O ATOM 1052 CB ILE A 74 -19.045 5.632 -15.875 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -19.072 6.799 -16.865 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -18.153 4.513 -16.391 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.704 7.375 -17.157 1.00 0.00 C ATOM 0 H ILE A 74 -21.293 6.293 -14.103 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.901 4.778 -16.571 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.635 5.990 -14.931 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.523 6.462 -17.799 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.712 7.587 -16.468 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -17.148 4.899 -16.563 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.113 3.711 -15.654 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.558 4.127 -17.326 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.799 8.198 -17.866 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.259 7.742 -16.232 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.067 6.601 -17.584 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.509 2.721 -15.205 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.462 1.512 -14.393 1.00 0.00 C ATOM 1069 C ARG A 75 -20.094 0.300 -15.244 1.00 0.00 C ATOM 1070 O ARG A 75 -20.358 0.251 -16.445 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.810 1.277 -13.709 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.957 1.063 -14.682 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.304 1.292 -14.015 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.531 0.368 -12.907 1.00 0.00 N ATOM 1075 CZ ARG A 75 -25.475 0.540 -11.988 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.276 1.594 -12.045 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -25.619 -0.345 -11.010 1.00 0.00 N ATOM 0 H ARG A 75 -20.625 2.554 -16.205 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.695 1.647 -13.631 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.730 0.407 -13.057 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.039 2.132 -13.073 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.849 1.741 -15.528 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.914 0.049 -15.079 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.357 2.317 -13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -25.098 1.175 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.932 -0.454 -12.835 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.169 2.276 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.000 1.723 -11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.005 -1.158 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.344 -0.212 -10.305 1.00 0.00 H new