USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 631 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 ASN : amide:sc= 0.473 K(o=1.2,f=0.094) USER MOD Set 1.3: A 63 SER OG : rot -83:sc= 0.747 USER MOD Set 2.1: A 40 TYR OH : rot 15:sc= 0.94 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0.201) USER MOD Set 3.1: A 31 SER OG : rot -111:sc= 0.692 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 15 TYR OH : rot -116:sc= 0.501 USER MOD Single : A 17 CYS SG : rot -64:sc=-0.00508 USER MOD Single : A 21 TYR OH : rot 30:sc= -1.98! USER MOD Single : A 25 MET CE :methyl -131:sc= -0.386 (180deg=-1.59!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -2.08! (180deg=-3.63!) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.0746 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -64:sc= 1.02 USER MOD Single : A 41 GLN : amide:sc= 0.891 K(o=0.89,f=-0.0063) USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= 0.914 (180deg=-0.00684) USER MOD Single : A 50 ASN : amide:sc= -0.0381 K(o=-0.038,f=-3.3!) USER MOD Single : A 51 THR OG1 : rot 34:sc= 0.997 USER MOD Single : A 52 SER OG : rot -150:sc= -1.96! USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Single : A 54 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 84:sc= 1.22 USER MOD Single : A 59 SER OG : rot 130:sc= 0.943 USER MOD Single : A 64 MET CE :methyl -174:sc= -0.571 (180deg=-0.88) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.58! C(o=-2.6!,f=-12!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.701 K(o=-0.7,f=-12!) USER MOD Single : A 77 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.26) USER MOD Single : A 80 SER OG : rot 69:sc= 0.336 USER MOD Single : A 81 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.68) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= 1.17 (180deg=1.1) USER MOD Single : A 87 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.4!) USER MOD Single : A 88 THR OG1 : rot 102:sc= 0.782 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -6.825 -27.332 0.622 1.00 0.00 N ATOM 221 CA TYR A 15 -7.861 -27.987 1.410 1.00 0.00 C ATOM 222 C TYR A 15 -8.908 -28.612 0.479 1.00 0.00 C ATOM 223 O TYR A 15 -9.141 -28.099 -0.618 1.00 0.00 O ATOM 224 CB TYR A 15 -8.510 -26.969 2.363 1.00 0.00 C ATOM 225 CG TYR A 15 -7.543 -26.394 3.389 1.00 0.00 C ATOM 226 CD1 TYR A 15 -6.628 -25.400 3.044 1.00 0.00 C ATOM 227 CD2 TYR A 15 -7.540 -26.849 4.703 1.00 0.00 C ATOM 228 CE1 TYR A 15 -5.745 -24.882 3.977 1.00 0.00 C ATOM 229 CE2 TYR A 15 -6.661 -26.334 5.638 1.00 0.00 C ATOM 230 CZ TYR A 15 -5.767 -25.352 5.271 1.00 0.00 C ATOM 231 OH TYR A 15 -4.891 -24.839 6.206 1.00 0.00 O ATOM 0 HA TYR A 15 -7.416 -28.783 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -8.933 -26.153 1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.338 -27.449 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.607 -25.027 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.237 -27.619 4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.043 -24.113 3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.675 -26.701 6.654 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.282 -25.546 6.506 1.00 0.00 H new ATOM 241 N PRO A 16 -9.560 -29.726 0.885 1.00 0.00 N ATOM 242 CA PRO A 16 -9.360 -30.372 2.188 1.00 0.00 C ATOM 243 C PRO A 16 -8.084 -31.213 2.239 1.00 0.00 C ATOM 244 O PRO A 16 -7.564 -31.639 1.201 1.00 0.00 O ATOM 245 CB PRO A 16 -10.607 -31.270 2.354 1.00 0.00 C ATOM 246 CG PRO A 16 -11.463 -31.021 1.148 1.00 0.00 C ATOM 247 CD PRO A 16 -10.557 -30.451 0.091 1.00 0.00 C ATOM 0 HA PRO A 16 -9.244 -29.636 2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.324 -32.321 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.144 -31.025 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.927 -31.945 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.270 -30.327 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.101 -31.232 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.093 -29.789 -0.589 1.00 0.00 H new ATOM 255 N CYS A 17 -7.590 -31.446 3.451 1.00 0.00 N ATOM 256 CA CYS A 17 -6.372 -32.222 3.664 1.00 0.00 C ATOM 257 C CYS A 17 -6.250 -32.616 5.133 1.00 0.00 C ATOM 258 O CYS A 17 -6.872 -32.002 6.002 1.00 0.00 O ATOM 259 CB CYS A 17 -5.142 -31.409 3.230 1.00 0.00 C ATOM 260 SG CYS A 17 -3.561 -32.242 3.502 1.00 0.00 S ATOM 0 H CYS A 17 -8.020 -31.104 4.310 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.424 -33.128 3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.235 -31.170 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.138 -30.463 3.771 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.377 -32.419 4.777 1.00 0.00 H new ATOM 266 N LEU A 18 -5.468 -33.656 5.397 1.00 0.00 N ATOM 267 CA LEU A 18 -5.166 -34.076 6.760 1.00 0.00 C ATOM 268 C LEU A 18 -4.175 -33.105 7.398 1.00 0.00 C ATOM 269 O LEU A 18 -3.263 -32.610 6.728 1.00 0.00 O ATOM 270 CB LEU A 18 -4.581 -35.495 6.752 1.00 0.00 C ATOM 271 CG LEU A 18 -5.522 -36.587 6.214 1.00 0.00 C ATOM 272 CD1 LEU A 18 -4.765 -37.892 5.992 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.697 -36.804 7.166 1.00 0.00 C ATOM 0 H LEU A 18 -5.028 -34.229 4.677 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.086 -34.075 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.672 -35.493 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.290 -35.757 7.769 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.915 -36.253 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.450 -38.650 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.965 -37.730 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.338 -38.230 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.350 -37.580 6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.322 -37.112 8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.258 -35.875 7.269 1.00 0.00 H new ATOM 285 N TRP A 19 -4.360 -32.834 8.684 1.00 0.00 N ATOM 286 CA TRP A 19 -3.488 -31.931 9.424 1.00 0.00 C ATOM 287 C TRP A 19 -3.043 -32.610 10.719 1.00 0.00 C ATOM 288 O TRP A 19 -3.848 -33.271 11.385 1.00 0.00 O ATOM 289 CB TRP A 19 -4.226 -30.615 9.728 1.00 0.00 C ATOM 290 CG TRP A 19 -3.319 -29.492 10.147 1.00 0.00 C ATOM 291 CD1 TRP A 19 -2.745 -29.307 11.372 1.00 0.00 C ATOM 292 CD2 TRP A 19 -2.889 -28.394 9.333 1.00 0.00 C ATOM 293 NE1 TRP A 19 -1.981 -28.166 11.367 1.00 0.00 N ATOM 294 CE2 TRP A 19 -2.053 -27.588 10.129 1.00 0.00 C ATOM 295 CE3 TRP A 19 -3.125 -28.017 8.009 1.00 0.00 C ATOM 296 CZ2 TRP A 19 -1.456 -26.428 9.644 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -2.532 -26.865 7.529 1.00 0.00 C ATOM 298 CH2 TRP A 19 -1.705 -26.082 8.345 1.00 0.00 C ATOM 0 H TRP A 19 -5.116 -33.232 9.241 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.609 -31.697 8.824 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.782 -30.309 8.842 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.956 -30.793 10.517 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.873 -29.962 12.221 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.446 -27.807 12.158 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.760 -28.615 7.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.819 -25.823 10.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -2.709 -26.563 6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.255 -25.188 7.940 1.00 0.00 H new ATOM 309 N ASP A 20 -1.765 -32.459 11.058 1.00 0.00 N ATOM 310 CA ASP A 20 -1.196 -33.071 12.262 1.00 0.00 C ATOM 311 C ASP A 20 -1.123 -32.054 13.394 1.00 0.00 C ATOM 312 O ASP A 20 -0.609 -30.946 13.217 1.00 0.00 O ATOM 313 CB ASP A 20 0.210 -33.629 11.983 1.00 0.00 C ATOM 314 CG ASP A 20 0.204 -34.810 11.025 1.00 0.00 C ATOM 315 OD1 ASP A 20 0.162 -34.586 9.797 1.00 0.00 O ATOM 316 OD2 ASP A 20 0.248 -35.970 11.497 1.00 0.00 O ATOM 0 H ASP A 20 -1.097 -31.914 10.513 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.849 -33.893 12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.833 -32.836 11.569 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.666 -33.935 12.924 1.00 0.00 H new ATOM 321 N TYR A 21 -1.630 -32.439 14.557 1.00 0.00 N ATOM 322 CA TYR A 21 -1.612 -31.587 15.743 1.00 0.00 C ATOM 323 C TYR A 21 -0.779 -32.243 16.840 1.00 0.00 C ATOM 324 O TYR A 21 -1.088 -33.355 17.280 1.00 0.00 O ATOM 325 CB TYR A 21 -3.041 -31.348 16.259 1.00 0.00 C ATOM 326 CG TYR A 21 -3.978 -30.733 15.237 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.673 -31.530 14.335 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.173 -29.355 15.179 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.531 -30.977 13.408 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.034 -28.796 14.254 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.709 -29.612 13.370 1.00 0.00 C ATOM 332 OH TYR A 21 -6.569 -29.063 12.449 1.00 0.00 O ATOM 0 H TYR A 21 -2.065 -33.349 14.707 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.170 -30.628 15.472 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.458 -32.298 16.592 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.996 -30.696 17.132 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.539 -32.601 14.361 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.643 -28.714 15.868 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.062 -31.612 12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.178 -27.726 14.223 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.287 -29.700 12.251 1.00 0.00 H new ATOM 342 N ARG A 22 0.283 -31.568 17.265 1.00 0.00 N ATOM 343 CA ARG A 22 1.106 -32.052 18.368 1.00 0.00 C ATOM 344 C ARG A 22 0.476 -31.642 19.696 1.00 0.00 C ATOM 345 O ARG A 22 0.468 -30.460 20.053 1.00 0.00 O ATOM 346 CB ARG A 22 2.532 -31.493 18.263 1.00 0.00 C ATOM 347 CG ARG A 22 3.453 -31.913 19.408 1.00 0.00 C ATOM 348 CD ARG A 22 3.649 -33.426 19.466 1.00 0.00 C ATOM 349 NE ARG A 22 4.573 -33.815 20.534 1.00 0.00 N ATOM 350 CZ ARG A 22 5.877 -34.039 20.353 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.417 -33.921 19.145 1.00 0.00 N ATOM 352 NH2 ARG A 22 6.638 -34.389 21.381 1.00 0.00 N ATOM 0 H ARG A 22 0.595 -30.684 16.863 1.00 0.00 H new ATOM 0 HA ARG A 22 1.160 -33.139 18.316 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.970 -31.820 17.320 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.483 -30.405 18.231 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.422 -31.427 19.290 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.036 -31.566 20.353 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.686 -33.911 19.624 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.031 -33.780 18.508 1.00 0.00 H new ATOM 0 HE ARG A 22 4.196 -33.922 21.476 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.835 -33.658 18.350 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.414 -34.093 19.013 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.227 -34.487 22.310 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.634 -34.560 21.243 1.00 0.00 H new ATOM 366 N VAL A 23 -0.051 -32.622 20.420 1.00 0.00 N ATOM 367 CA VAL A 23 -0.733 -32.374 21.687 1.00 0.00 C ATOM 368 C VAL A 23 0.022 -33.036 22.834 1.00 0.00 C ATOM 369 O VAL A 23 0.079 -34.261 22.921 1.00 0.00 O ATOM 370 CB VAL A 23 -2.185 -32.914 21.660 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.930 -32.536 22.941 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.927 -32.413 20.420 1.00 0.00 C ATOM 0 H VAL A 23 -0.019 -33.605 20.149 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.762 -31.295 21.837 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.144 -34.002 21.608 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.947 -32.926 22.899 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.413 -32.962 23.801 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.961 -31.451 23.037 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.944 -32.804 20.422 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.957 -31.323 20.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.409 -32.754 19.524 1.00 0.00 H new ATOM 382 N ILE A 24 0.613 -32.228 23.703 1.00 0.00 N ATOM 383 CA ILE A 24 1.344 -32.743 24.856 1.00 0.00 C ATOM 384 C ILE A 24 0.547 -32.493 26.132 1.00 0.00 C ATOM 385 O ILE A 24 0.350 -31.342 26.537 1.00 0.00 O ATOM 386 CB ILE A 24 2.747 -32.093 24.977 1.00 0.00 C ATOM 387 CG1 ILE A 24 3.552 -32.318 23.684 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.499 -32.656 26.186 1.00 0.00 C ATOM 389 CD1 ILE A 24 4.931 -31.692 23.694 1.00 0.00 C ATOM 0 H ILE A 24 0.601 -31.211 23.633 1.00 0.00 H new ATOM 0 HA ILE A 24 1.480 -33.815 24.713 1.00 0.00 H new ATOM 0 HB ILE A 24 2.621 -31.020 25.124 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.653 -33.390 23.514 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.988 -31.914 22.843 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.481 -32.188 26.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.934 -32.448 27.095 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.618 -33.733 26.071 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.431 -31.897 22.747 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.840 -30.614 23.830 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.516 -32.113 24.512 1.00 0.00 H new ATOM 401 N MET A 25 0.073 -33.572 26.751 1.00 0.00 N ATOM 402 CA MET A 25 -0.707 -33.480 27.985 1.00 0.00 C ATOM 403 C MET A 25 0.028 -34.171 29.127 1.00 0.00 C ATOM 404 O MET A 25 0.940 -34.965 28.898 1.00 0.00 O ATOM 405 CB MET A 25 -2.101 -34.109 27.812 1.00 0.00 C ATOM 406 CG MET A 25 -2.945 -33.468 26.715 1.00 0.00 C ATOM 407 SD MET A 25 -4.696 -33.889 26.840 1.00 0.00 S ATOM 408 CE MET A 25 -4.652 -35.675 26.705 1.00 0.00 C ATOM 0 H MET A 25 0.216 -34.525 26.417 1.00 0.00 H new ATOM 0 HA MET A 25 -0.833 -32.423 28.221 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.984 -35.170 27.591 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.639 -34.038 28.757 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.833 -32.385 26.763 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.569 -33.785 25.742 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.383 -36.002 25.965 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.656 -35.992 26.396 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.890 -36.119 27.672 1.00 0.00 H new ATOM 418 N THR A 26 -0.375 -33.868 30.354 1.00 0.00 N ATOM 419 CA THR A 26 0.231 -34.465 31.541 1.00 0.00 C ATOM 420 C THR A 26 -0.522 -35.724 31.978 1.00 0.00 C ATOM 421 O THR A 26 -0.321 -36.227 33.086 1.00 0.00 O ATOM 422 CB THR A 26 0.251 -33.449 32.703 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.043 -32.841 32.828 1.00 0.00 O ATOM 424 CG2 THR A 26 1.306 -32.370 32.479 1.00 0.00 C ATOM 0 H THR A 26 -1.125 -33.207 30.556 1.00 0.00 H new ATOM 0 HA THR A 26 1.253 -34.744 31.283 1.00 0.00 H new ATOM 0 HB THR A 26 0.503 -33.982 33.620 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.032 -32.197 33.566 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.294 -31.671 33.315 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.290 -32.833 32.407 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.088 -31.835 31.555 1.00 0.00 H new ATOM 432 N THR A 27 -1.377 -36.243 31.100 1.00 0.00 N ATOM 433 CA THR A 27 -2.187 -37.411 31.420 1.00 0.00 C ATOM 434 C THR A 27 -2.372 -38.306 30.199 1.00 0.00 C ATOM 435 O THR A 27 -2.311 -37.843 29.057 1.00 0.00 O ATOM 436 CB THR A 27 -3.579 -37.002 31.965 1.00 0.00 C ATOM 437 OG1 THR A 27 -4.328 -38.170 32.333 1.00 0.00 O ATOM 438 CG2 THR A 27 -4.363 -36.197 30.932 1.00 0.00 C ATOM 0 H THR A 27 -1.525 -35.872 30.162 1.00 0.00 H new ATOM 0 HA THR A 27 -1.652 -37.964 32.192 1.00 0.00 H new ATOM 0 HB THR A 27 -3.423 -36.376 32.844 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.205 -37.901 32.678 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.335 -35.925 31.344 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.810 -35.292 30.679 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.505 -36.798 30.034 1.00 0.00 H new ATOM 446 N LYS A 28 -2.584 -39.593 30.458 1.00 0.00 N ATOM 447 CA LYS A 28 -2.907 -40.559 29.415 1.00 0.00 C ATOM 448 C LYS A 28 -4.396 -40.501 29.090 1.00 0.00 C ATOM 449 O LYS A 28 -4.853 -41.097 28.110 1.00 0.00 O ATOM 450 CB LYS A 28 -2.527 -41.976 29.870 1.00 0.00 C ATOM 451 CG LYS A 28 -1.022 -42.207 29.988 1.00 0.00 C ATOM 452 CD LYS A 28 -0.335 -42.305 28.619 1.00 0.00 C ATOM 453 CE LYS A 28 -0.539 -43.672 27.956 1.00 0.00 C ATOM 454 NZ LYS A 28 -1.955 -43.931 27.575 1.00 0.00 N ATOM 0 H LYS A 28 -2.537 -39.994 31.395 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.338 -40.310 28.519 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.991 -42.173 30.836 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.941 -42.696 29.164 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.576 -41.392 30.558 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.841 -43.124 30.549 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.724 -41.526 27.964 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.732 -42.118 28.738 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.088 -43.735 27.066 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.204 -44.454 28.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.982 -44.537 26.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.444 -44.409 28.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.430 -43.029 27.370 1.00 0.00 H new ATOM 468 N ASP A 29 -5.148 -39.773 29.913 1.00 0.00 N ATOM 469 CA ASP A 29 -6.589 -39.663 29.741 1.00 0.00 C ATOM 470 C ASP A 29 -6.902 -38.719 28.593 1.00 0.00 C ATOM 471 O ASP A 29 -7.188 -37.536 28.796 1.00 0.00 O ATOM 472 CB ASP A 29 -7.271 -39.180 31.032 1.00 0.00 C ATOM 473 CG ASP A 29 -8.784 -39.055 30.883 1.00 0.00 C ATOM 474 OD1 ASP A 29 -9.473 -40.097 30.867 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.294 -37.918 30.772 1.00 0.00 O ATOM 0 H ASP A 29 -4.779 -39.250 30.707 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.981 -40.653 29.509 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.045 -39.876 31.840 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.856 -38.213 31.318 1.00 0.00 H new ATOM 480 N THR A 30 -6.785 -39.228 27.377 1.00 0.00 N ATOM 481 CA THR A 30 -7.161 -38.461 26.212 1.00 0.00 C ATOM 482 C THR A 30 -8.649 -38.671 25.937 1.00 0.00 C ATOM 483 O THR A 30 -9.061 -39.690 25.381 1.00 0.00 O ATOM 484 CB THR A 30 -6.302 -38.827 24.970 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.797 -38.151 23.807 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.268 -40.335 24.719 1.00 0.00 C ATOM 0 H THR A 30 -6.434 -40.165 27.177 1.00 0.00 H new ATOM 0 HA THR A 30 -6.973 -37.406 26.414 1.00 0.00 H new ATOM 0 HB THR A 30 -5.282 -38.502 25.175 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.354 -38.507 23.009 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.656 -40.544 23.841 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.842 -40.839 25.587 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.282 -40.699 24.550 1.00 0.00 H new ATOM 494 N SER A 31 -9.451 -37.711 26.373 1.00 0.00 N ATOM 495 CA SER A 31 -10.897 -37.778 26.224 1.00 0.00 C ATOM 496 C SER A 31 -11.410 -36.474 25.630 1.00 0.00 C ATOM 497 O SER A 31 -11.875 -36.441 24.490 1.00 0.00 O ATOM 498 CB SER A 31 -11.538 -38.048 27.591 1.00 0.00 C ATOM 499 OG SER A 31 -11.049 -37.137 28.567 1.00 0.00 O ATOM 0 H SER A 31 -9.119 -36.866 26.839 1.00 0.00 H new ATOM 0 HA SER A 31 -11.164 -38.591 25.549 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.622 -37.958 27.514 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.324 -39.071 27.902 1.00 0.00 H new ATOM 0 HG SER A 31 -10.496 -37.619 29.217 1.00 0.00 H new ATOM 505 N THR A 32 -11.283 -35.398 26.405 1.00 0.00 N ATOM 506 CA THR A 32 -11.651 -34.056 25.965 1.00 0.00 C ATOM 507 C THR A 32 -11.049 -33.752 24.590 1.00 0.00 C ATOM 508 O THR A 32 -11.672 -33.101 23.747 1.00 0.00 O ATOM 509 CB THR A 32 -11.150 -33.010 26.986 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.425 -33.472 28.318 1.00 0.00 O ATOM 511 CG2 THR A 32 -11.813 -31.652 26.765 1.00 0.00 C ATOM 0 H THR A 32 -10.921 -35.434 27.358 1.00 0.00 H new ATOM 0 HA THR A 32 -12.737 -34.007 25.893 1.00 0.00 H new ATOM 0 HB THR A 32 -10.076 -32.886 26.848 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.106 -32.810 28.966 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.438 -30.940 27.500 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.582 -31.293 25.762 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.893 -31.752 26.875 1.00 0.00 H new ATOM 519 N LEU A 33 -9.834 -34.253 24.377 1.00 0.00 N ATOM 520 CA LEU A 33 -9.126 -34.081 23.114 1.00 0.00 C ATOM 521 C LEU A 33 -9.905 -34.712 21.963 1.00 0.00 C ATOM 522 O LEU A 33 -10.119 -34.085 20.929 1.00 0.00 O ATOM 523 CB LEU A 33 -7.728 -34.712 23.206 1.00 0.00 C ATOM 524 CG LEU A 33 -6.889 -34.663 21.916 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.662 -33.220 21.467 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.556 -35.387 22.110 1.00 0.00 C ATOM 0 H LEU A 33 -9.315 -34.788 25.074 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.028 -33.013 22.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.173 -34.209 23.998 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.838 -35.754 23.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.445 -35.176 21.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.067 -33.212 20.554 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.623 -32.742 21.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.134 -32.674 22.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.979 -35.340 21.186 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.995 -34.908 22.913 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.742 -36.429 22.369 1.00 0.00 H new ATOM 538 N LYS A 34 -10.335 -35.953 22.155 1.00 0.00 N ATOM 539 CA LYS A 34 -11.025 -36.688 21.101 1.00 0.00 C ATOM 540 C LYS A 34 -12.454 -36.181 20.931 1.00 0.00 C ATOM 541 O LYS A 34 -12.994 -36.198 19.828 1.00 0.00 O ATOM 542 CB LYS A 34 -11.019 -38.194 21.391 1.00 0.00 C ATOM 543 CG LYS A 34 -9.617 -38.782 21.558 1.00 0.00 C ATOM 544 CD LYS A 34 -9.631 -40.308 21.504 1.00 0.00 C ATOM 545 CE LYS A 34 -10.550 -40.915 22.557 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.705 -42.381 22.371 1.00 0.00 N ATOM 0 H LYS A 34 -10.219 -36.470 23.027 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.489 -36.518 20.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.593 -38.383 22.298 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.527 -38.714 20.579 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.966 -38.397 20.774 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.197 -38.456 22.510 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.953 -40.631 20.514 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.618 -40.684 21.649 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.148 -40.715 23.550 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.528 -40.436 22.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.337 -42.759 23.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.112 -42.571 21.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.775 -42.841 22.444 1.00 0.00 H new ATOM 560 N GLU A 35 -13.050 -35.715 22.026 1.00 0.00 N ATOM 561 CA GLU A 35 -14.415 -35.190 22.003 1.00 0.00 C ATOM 562 C GLU A 35 -14.557 -34.070 20.975 1.00 0.00 C ATOM 563 O GLU A 35 -15.447 -34.105 20.120 1.00 0.00 O ATOM 564 CB GLU A 35 -14.815 -34.675 23.393 1.00 0.00 C ATOM 565 CG GLU A 35 -15.017 -35.777 24.425 1.00 0.00 C ATOM 566 CD GLU A 35 -16.138 -36.731 24.042 1.00 0.00 C ATOM 567 OE1 GLU A 35 -17.316 -36.313 24.068 1.00 0.00 O ATOM 568 OE2 GLU A 35 -15.852 -37.902 23.715 1.00 0.00 O ATOM 0 H GLU A 35 -12.608 -35.690 22.945 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.080 -36.005 21.719 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.045 -33.991 23.752 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.737 -34.100 23.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.090 -36.338 24.540 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.240 -35.328 25.393 1.00 0.00 H new ATOM 575 N LEU A 36 -13.659 -33.090 21.047 1.00 0.00 N ATOM 576 CA LEU A 36 -13.705 -31.938 20.149 1.00 0.00 C ATOM 577 C LEU A 36 -13.526 -32.394 18.699 1.00 0.00 C ATOM 578 O LEU A 36 -14.060 -31.785 17.778 1.00 0.00 O ATOM 579 CB LEU A 36 -12.641 -30.895 20.548 1.00 0.00 C ATOM 580 CG LEU A 36 -11.177 -31.257 20.220 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.744 -30.655 18.883 1.00 0.00 C ATOM 582 CD2 LEU A 36 -10.240 -30.816 21.342 1.00 0.00 C ATOM 0 H LEU A 36 -12.891 -33.070 21.718 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.681 -31.461 20.235 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.881 -29.954 20.053 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.719 -30.719 21.621 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.116 -32.342 20.134 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.708 -30.927 18.680 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.383 -31.038 18.087 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.832 -29.569 18.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.215 -31.083 21.086 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.312 -29.736 21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.523 -31.314 22.269 1.00 0.00 H new ATOM 594 N LEU A 37 -12.782 -33.481 18.514 1.00 0.00 N ATOM 595 CA LEU A 37 -12.555 -34.052 17.188 1.00 0.00 C ATOM 596 C LEU A 37 -13.824 -34.742 16.679 1.00 0.00 C ATOM 597 O LEU A 37 -14.229 -34.567 15.526 1.00 0.00 O ATOM 598 CB LEU A 37 -11.402 -35.067 17.244 1.00 0.00 C ATOM 599 CG LEU A 37 -10.080 -34.537 17.827 1.00 0.00 C ATOM 600 CD1 LEU A 37 -9.068 -35.668 17.987 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.509 -33.424 16.952 1.00 0.00 C ATOM 0 H LEU A 37 -12.323 -33.988 19.271 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.293 -33.245 16.503 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.723 -35.923 17.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.213 -35.432 16.234 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.287 -34.122 18.813 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.141 -35.271 18.401 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.471 -36.424 18.660 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.868 -36.118 17.014 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.575 -33.065 17.384 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.321 -33.809 15.950 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.223 -32.602 16.897 1.00 0.00 H new ATOM 613 N GLU A 38 -14.453 -35.510 17.565 1.00 0.00 N ATOM 614 CA GLU A 38 -15.619 -36.320 17.217 1.00 0.00 C ATOM 615 C GLU A 38 -16.831 -35.453 16.872 1.00 0.00 C ATOM 616 O GLU A 38 -17.731 -35.897 16.157 1.00 0.00 O ATOM 617 CB GLU A 38 -15.956 -37.281 18.367 1.00 0.00 C ATOM 618 CG GLU A 38 -14.895 -38.360 18.592 1.00 0.00 C ATOM 619 CD GLU A 38 -15.189 -39.269 19.779 1.00 0.00 C ATOM 620 OE1 GLU A 38 -16.380 -39.492 20.092 1.00 0.00 O ATOM 621 OE2 GLU A 38 -14.230 -39.781 20.399 1.00 0.00 O ATOM 0 H GLU A 38 -14.170 -35.589 18.542 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.369 -36.899 16.328 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.079 -36.707 19.285 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.913 -37.761 18.160 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.811 -38.968 17.692 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.928 -37.880 18.744 1.00 0.00 H new ATOM 628 N THR A 39 -16.851 -34.215 17.363 1.00 0.00 N ATOM 629 CA THR A 39 -17.958 -33.301 17.076 1.00 0.00 C ATOM 630 C THR A 39 -18.010 -32.943 15.586 1.00 0.00 C ATOM 631 O THR A 39 -19.024 -32.444 15.090 1.00 0.00 O ATOM 632 CB THR A 39 -17.867 -32.004 17.916 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.629 -31.332 17.657 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.983 -32.301 19.408 1.00 0.00 C ATOM 0 H THR A 39 -16.120 -33.823 17.957 1.00 0.00 H new ATOM 0 HA THR A 39 -18.874 -33.825 17.349 1.00 0.00 H new ATOM 0 HB THR A 39 -18.699 -31.362 17.626 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.883 -31.896 17.950 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.915 -31.370 19.971 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.942 -32.779 19.610 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.175 -32.967 19.710 1.00 0.00 H new ATOM 642 N TYR A 40 -16.908 -33.195 14.875 1.00 0.00 N ATOM 643 CA TYR A 40 -16.849 -32.977 13.427 1.00 0.00 C ATOM 644 C TYR A 40 -17.389 -34.195 12.679 1.00 0.00 C ATOM 645 O TYR A 40 -17.576 -34.152 11.463 1.00 0.00 O ATOM 646 CB TYR A 40 -15.407 -32.685 12.985 1.00 0.00 C ATOM 647 CG TYR A 40 -14.862 -31.370 13.511 1.00 0.00 C ATOM 648 CD1 TYR A 40 -14.296 -31.285 14.779 1.00 0.00 C ATOM 649 CD2 TYR A 40 -14.923 -30.212 12.742 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.806 -30.086 15.264 1.00 0.00 C ATOM 651 CE2 TYR A 40 -14.437 -29.012 13.220 1.00 0.00 C ATOM 652 CZ TYR A 40 -13.879 -28.956 14.479 1.00 0.00 C ATOM 653 OH TYR A 40 -13.403 -27.761 14.961 1.00 0.00 O ATOM 0 H TYR A 40 -16.042 -33.551 15.280 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.471 -32.115 13.187 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.762 -33.496 13.322 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.365 -32.676 11.896 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.238 -32.170 15.395 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.358 -30.253 11.754 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.369 -30.036 16.251 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.494 -28.122 12.611 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.844 -27.925 15.749 1.00 0.00 H new ATOM 663 N GLN A 41 -17.608 -35.285 13.421 1.00 0.00 N ATOM 664 CA GLN A 41 -18.151 -36.533 12.871 1.00 0.00 C ATOM 665 C GLN A 41 -17.224 -37.131 11.806 1.00 0.00 C ATOM 666 O GLN A 41 -17.606 -38.060 11.085 1.00 0.00 O ATOM 667 CB GLN A 41 -19.557 -36.300 12.293 1.00 0.00 C ATOM 668 CG GLN A 41 -20.588 -35.862 13.331 1.00 0.00 C ATOM 669 CD GLN A 41 -20.931 -36.958 14.328 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.855 -37.742 14.112 1.00 0.00 O ATOM 671 NE2 GLN A 41 -20.198 -37.020 15.430 1.00 0.00 N ATOM 0 H GLN A 41 -17.414 -35.328 14.421 1.00 0.00 H new ATOM 0 HA GLN A 41 -18.222 -37.251 13.688 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.497 -35.542 11.512 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.901 -37.219 11.819 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -20.207 -34.995 13.870 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.497 -35.545 12.820 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.440 -36.354 15.576 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.392 -37.734 16.132 1.00 0.00 H new ATOM 680 N ARG A 42 -16.001 -36.609 11.726 1.00 0.00 N ATOM 681 CA ARG A 42 -15.015 -37.091 10.763 1.00 0.00 C ATOM 682 C ARG A 42 -14.037 -38.041 11.456 1.00 0.00 C ATOM 683 O ARG A 42 -13.853 -37.959 12.674 1.00 0.00 O ATOM 684 CB ARG A 42 -14.244 -35.916 10.133 1.00 0.00 C ATOM 685 CG ARG A 42 -13.275 -35.218 11.088 1.00 0.00 C ATOM 686 CD ARG A 42 -12.330 -34.270 10.352 1.00 0.00 C ATOM 687 NE ARG A 42 -12.982 -33.031 9.917 1.00 0.00 N ATOM 688 CZ ARG A 42 -13.540 -32.844 8.718 1.00 0.00 C ATOM 689 NH1 ARG A 42 -13.596 -33.836 7.833 1.00 0.00 N ATOM 690 NH2 ARG A 42 -14.039 -31.657 8.405 1.00 0.00 N ATOM 0 H ARG A 42 -15.669 -35.849 12.320 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.539 -37.623 9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.686 -36.283 9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.961 -35.184 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.840 -34.659 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.692 -35.967 11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.492 -34.023 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.917 -34.781 9.482 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.012 -32.255 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.210 -34.751 8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.025 -33.682 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.996 -30.892 9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.466 -31.508 7.491 1.00 0.00 H new ATOM 704 N PRO A 43 -13.401 -38.957 10.701 1.00 0.00 N ATOM 705 CA PRO A 43 -12.411 -39.884 11.258 1.00 0.00 C ATOM 706 C PRO A 43 -11.095 -39.178 11.585 1.00 0.00 C ATOM 707 O PRO A 43 -10.693 -38.236 10.893 1.00 0.00 O ATOM 708 CB PRO A 43 -12.220 -40.914 10.138 1.00 0.00 C ATOM 709 CG PRO A 43 -12.519 -40.161 8.886 1.00 0.00 C ATOM 710 CD PRO A 43 -13.592 -39.165 9.248 1.00 0.00 C ATOM 0 HA PRO A 43 -12.737 -40.327 12.199 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.204 -41.309 10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.892 -41.764 10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.628 -39.657 8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.860 -40.833 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.479 -38.234 8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.587 -39.550 9.026 1.00 0.00 H new ATOM 718 N PHE A 44 -10.431 -39.629 12.643 1.00 0.00 N ATOM 719 CA PHE A 44 -9.155 -39.057 13.052 1.00 0.00 C ATOM 720 C PHE A 44 -8.223 -40.150 13.563 1.00 0.00 C ATOM 721 O PHE A 44 -8.672 -41.182 14.071 1.00 0.00 O ATOM 722 CB PHE A 44 -9.360 -37.977 14.130 1.00 0.00 C ATOM 723 CG PHE A 44 -9.992 -38.486 15.405 1.00 0.00 C ATOM 724 CD1 PHE A 44 -11.371 -38.492 15.560 1.00 0.00 C ATOM 725 CD2 PHE A 44 -9.205 -38.959 16.447 1.00 0.00 C ATOM 726 CE1 PHE A 44 -11.949 -38.958 16.724 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.781 -39.427 17.612 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.154 -39.427 17.751 1.00 0.00 C ATOM 0 H PHE A 44 -10.758 -40.393 13.235 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.697 -38.587 12.182 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.395 -37.531 14.369 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.985 -37.184 13.719 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.999 -38.128 14.761 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.130 -38.961 16.345 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.024 -38.956 16.831 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.157 -39.793 18.414 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.606 -39.793 18.661 1.00 0.00 H new ATOM 738 N LYS A 45 -6.929 -39.917 13.418 1.00 0.00 N ATOM 739 CA LYS A 45 -5.914 -40.851 13.876 1.00 0.00 C ATOM 740 C LYS A 45 -5.285 -40.337 15.167 1.00 0.00 C ATOM 741 O LYS A 45 -4.579 -39.325 15.159 1.00 0.00 O ATOM 742 CB LYS A 45 -4.839 -41.032 12.795 1.00 0.00 C ATOM 743 CG LYS A 45 -3.727 -42.005 13.182 1.00 0.00 C ATOM 744 CD LYS A 45 -2.612 -42.039 12.140 1.00 0.00 C ATOM 745 CE LYS A 45 -1.998 -40.660 11.923 1.00 0.00 C ATOM 746 NZ LYS A 45 -0.788 -40.707 11.063 1.00 0.00 N ATOM 0 H LYS A 45 -6.553 -39.076 12.980 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.379 -41.818 14.070 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.314 -41.385 11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.397 -40.061 12.571 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.312 -41.717 14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.144 -43.005 13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.837 -42.736 12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.008 -42.413 11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.739 -40.003 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.738 -40.225 12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.408 -39.746 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.069 -41.312 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.039 -41.096 10.132 1.00 0.00 H new ATOM 760 N LEU A 46 -5.573 -41.016 16.272 1.00 0.00 N ATOM 761 CA LEU A 46 -4.995 -40.674 17.569 1.00 0.00 C ATOM 762 C LEU A 46 -3.732 -41.510 17.780 1.00 0.00 C ATOM 763 O LEU A 46 -3.783 -42.740 17.720 1.00 0.00 O ATOM 764 CB LEU A 46 -6.030 -40.933 18.688 1.00 0.00 C ATOM 765 CG LEU A 46 -5.779 -40.237 20.048 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.541 -40.789 20.755 1.00 0.00 C ATOM 767 CD2 LEU A 46 -5.667 -38.723 19.868 1.00 0.00 C ATOM 0 H LEU A 46 -6.209 -41.813 16.296 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.728 -39.617 17.598 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.009 -40.622 18.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.081 -42.008 18.861 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.638 -40.451 20.684 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.403 -40.272 21.705 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.672 -41.855 20.938 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.664 -40.634 20.127 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.491 -38.254 20.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.837 -38.497 19.198 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.593 -38.338 19.441 1.00 0.00 H new ATOM 779 N GLU A 47 -2.601 -40.845 18.002 1.00 0.00 N ATOM 780 CA GLU A 47 -1.325 -41.535 18.189 1.00 0.00 C ATOM 781 C GLU A 47 -0.661 -41.141 19.504 1.00 0.00 C ATOM 782 O GLU A 47 -0.677 -39.971 19.890 1.00 0.00 O ATOM 783 CB GLU A 47 -0.358 -41.201 17.048 1.00 0.00 C ATOM 784 CG GLU A 47 -0.835 -41.610 15.665 1.00 0.00 C ATOM 785 CD GLU A 47 0.183 -41.259 14.594 1.00 0.00 C ATOM 786 OE1 GLU A 47 0.159 -40.116 14.096 1.00 0.00 O ATOM 787 OE2 GLU A 47 1.028 -42.118 14.263 1.00 0.00 O ATOM 0 H GLU A 47 -2.541 -39.828 18.057 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.544 -42.603 18.200 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.174 -40.127 17.050 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.597 -41.688 17.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.026 -42.683 15.648 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.781 -41.115 15.445 1.00 0.00 H new ATOM 794 N PHE A 48 -0.076 -42.123 20.178 1.00 0.00 N ATOM 795 CA PHE A 48 0.830 -41.867 21.291 1.00 0.00 C ATOM 796 C PHE A 48 2.266 -41.961 20.778 1.00 0.00 C ATOM 797 O PHE A 48 2.750 -43.051 20.460 1.00 0.00 O ATOM 798 CB PHE A 48 0.596 -42.873 22.429 1.00 0.00 C ATOM 799 CG PHE A 48 1.549 -42.711 23.593 1.00 0.00 C ATOM 800 CD1 PHE A 48 1.348 -41.715 24.539 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.647 -43.551 23.737 1.00 0.00 C ATOM 802 CE1 PHE A 48 2.218 -41.562 25.601 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.520 -43.399 24.798 1.00 0.00 C ATOM 804 CZ PHE A 48 3.304 -42.404 25.731 1.00 0.00 C ATOM 0 H PHE A 48 -0.214 -43.112 19.971 1.00 0.00 H new ATOM 0 HA PHE A 48 0.644 -40.871 21.692 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.427 -42.766 22.791 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.690 -43.884 22.033 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.501 -41.052 24.443 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.820 -44.332 23.011 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.048 -40.783 26.330 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.370 -44.058 24.897 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.984 -42.285 26.561 1.00 0.00 H new ATOM 814 N LYS A 49 2.936 -40.818 20.676 1.00 0.00 N ATOM 815 CA LYS A 49 4.281 -40.764 20.110 1.00 0.00 C ATOM 816 C LYS A 49 5.320 -41.226 21.127 1.00 0.00 C ATOM 817 O LYS A 49 5.963 -42.262 20.944 1.00 0.00 O ATOM 818 CB LYS A 49 4.605 -39.341 19.625 1.00 0.00 C ATOM 819 CG LYS A 49 3.670 -38.794 18.538 1.00 0.00 C ATOM 820 CD LYS A 49 3.931 -39.397 17.146 1.00 0.00 C ATOM 821 CE LYS A 49 3.236 -40.741 16.930 1.00 0.00 C ATOM 822 NZ LYS A 49 3.447 -41.268 15.553 1.00 0.00 N ATOM 0 H LYS A 49 2.570 -39.915 20.978 1.00 0.00 H new ATOM 0 HA LYS A 49 4.315 -41.441 19.256 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.575 -38.667 20.481 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.626 -39.328 19.244 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.637 -38.993 18.824 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.783 -37.711 18.484 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.593 -38.694 16.384 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.005 -39.525 17.008 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.611 -41.463 17.655 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.168 -40.630 17.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.552 -41.650 15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.775 -40.500 14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.162 -42.023 15.576 1.00 0.00 H new ATOM 836 N ASN A 50 5.470 -40.464 22.206 1.00 0.00 N ATOM 837 CA ASN A 50 6.485 -40.753 23.217 1.00 0.00 C ATOM 838 C ASN A 50 6.183 -39.990 24.505 1.00 0.00 C ATOM 839 O ASN A 50 5.418 -39.023 24.499 1.00 0.00 O ATOM 840 CB ASN A 50 7.880 -40.373 22.684 1.00 0.00 C ATOM 841 CG ASN A 50 9.013 -40.728 23.640 1.00 0.00 C ATOM 842 OD1 ASN A 50 8.924 -41.692 24.403 1.00 0.00 O ATOM 843 ND2 ASN A 50 10.084 -39.951 23.604 1.00 0.00 N ATOM 0 H ASN A 50 4.902 -39.641 22.404 1.00 0.00 H new ATOM 0 HA ASN A 50 6.470 -41.821 23.437 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.047 -40.878 21.732 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.905 -39.302 22.485 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.873 -40.141 24.222 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.120 -39.162 22.958 1.00 0.00 H new ATOM 850 N THR A 51 6.779 -40.437 25.603 1.00 0.00 N ATOM 851 CA THR A 51 6.617 -39.798 26.903 1.00 0.00 C ATOM 852 C THR A 51 7.974 -39.329 27.420 1.00 0.00 C ATOM 853 O THR A 51 9.002 -39.944 27.124 1.00 0.00 O ATOM 854 CB THR A 51 5.967 -40.759 27.932 1.00 0.00 C ATOM 855 OG1 THR A 51 5.770 -40.090 29.185 1.00 0.00 O ATOM 856 CG2 THR A 51 6.817 -42.009 28.151 1.00 0.00 C ATOM 0 H THR A 51 7.389 -41.254 25.617 1.00 0.00 H new ATOM 0 HA THR A 51 5.954 -38.942 26.777 1.00 0.00 H new ATOM 0 HB THR A 51 5.004 -41.067 27.526 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.564 -39.146 29.023 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.329 -42.658 28.878 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.930 -42.542 27.207 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.800 -41.720 28.524 1.00 0.00 H new ATOM 864 N SER A 52 7.980 -38.218 28.151 1.00 0.00 N ATOM 865 CA SER A 52 9.202 -37.704 28.763 1.00 0.00 C ATOM 866 C SER A 52 9.836 -38.772 29.664 1.00 0.00 C ATOM 867 O SER A 52 9.161 -39.708 30.093 1.00 0.00 O ATOM 868 CB SER A 52 8.880 -36.448 29.579 1.00 0.00 C ATOM 869 OG SER A 52 8.148 -35.513 28.805 1.00 0.00 O ATOM 0 H SER A 52 7.150 -37.655 28.335 1.00 0.00 H new ATOM 0 HA SER A 52 9.913 -37.448 27.977 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.305 -36.722 30.464 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.805 -35.990 29.929 1.00 0.00 H new ATOM 0 HG SER A 52 8.352 -34.604 29.111 1.00 0.00 H new ATOM 875 N LYS A 53 11.123 -38.618 29.964 1.00 0.00 N ATOM 876 CA LYS A 53 11.846 -39.586 30.792 1.00 0.00 C ATOM 877 C LYS A 53 11.283 -39.591 32.214 1.00 0.00 C ATOM 878 O LYS A 53 11.371 -40.592 32.930 1.00 0.00 O ATOM 879 CB LYS A 53 13.356 -39.274 30.809 1.00 0.00 C ATOM 880 CG LYS A 53 14.080 -39.560 29.487 1.00 0.00 C ATOM 881 CD LYS A 53 13.607 -38.655 28.349 1.00 0.00 C ATOM 882 CE LYS A 53 14.279 -39.003 27.023 1.00 0.00 C ATOM 883 NZ LYS A 53 15.747 -38.774 27.057 1.00 0.00 N ATOM 0 H LYS A 53 11.690 -37.831 29.647 1.00 0.00 H new ATOM 0 HA LYS A 53 11.711 -40.577 30.359 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.494 -38.223 31.064 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.826 -39.859 31.600 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.153 -39.428 29.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.921 -40.602 29.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.526 -38.743 28.241 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.819 -37.616 28.601 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.082 -40.048 26.782 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.838 -38.403 26.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.142 -38.910 26.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.940 -37.803 27.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.188 -39.449 27.714 1.00 0.00 H new ATOM 897 N ASN A 54 10.708 -38.459 32.616 1.00 0.00 N ATOM 898 CA ASN A 54 10.026 -38.345 33.910 1.00 0.00 C ATOM 899 C ASN A 54 8.680 -39.072 33.878 1.00 0.00 C ATOM 900 O ASN A 54 8.052 -39.271 34.918 1.00 0.00 O ATOM 901 CB ASN A 54 9.804 -36.867 34.280 1.00 0.00 C ATOM 902 CG ASN A 54 11.100 -36.115 34.543 1.00 0.00 C ATOM 903 OD1 ASN A 54 12.147 -36.439 33.986 1.00 0.00 O ATOM 904 ND2 ASN A 54 11.034 -35.097 35.390 1.00 0.00 N ATOM 0 H ASN A 54 10.699 -37.602 32.063 1.00 0.00 H new ATOM 0 HA ASN A 54 10.662 -38.808 34.664 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.263 -36.374 33.472 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.173 -36.812 35.167 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.871 -34.552 35.599 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.147 -34.859 35.833 1.00 0.00 H new ATOM 911 N ALA A 55 8.243 -39.447 32.672 1.00 0.00 N ATOM 912 CA ALA A 55 6.971 -40.148 32.464 1.00 0.00 C ATOM 913 C ALA A 55 5.781 -39.311 32.941 1.00 0.00 C ATOM 914 O ALA A 55 4.697 -39.840 33.194 1.00 0.00 O ATOM 915 CB ALA A 55 6.990 -41.508 33.160 1.00 0.00 C ATOM 0 H ALA A 55 8.761 -39.273 31.811 1.00 0.00 H new ATOM 0 HA ALA A 55 6.851 -40.306 31.392 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.039 -42.014 32.995 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.799 -42.114 32.752 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.146 -41.367 34.230 1.00 0.00 H new ATOM 921 N LYS A 56 5.989 -37.999 33.046 1.00 0.00 N ATOM 922 CA LYS A 56 4.952 -37.086 33.526 1.00 0.00 C ATOM 923 C LYS A 56 4.232 -36.412 32.359 1.00 0.00 C ATOM 924 O LYS A 56 3.053 -36.064 32.459 1.00 0.00 O ATOM 925 CB LYS A 56 5.573 -36.031 34.453 1.00 0.00 C ATOM 926 CG LYS A 56 4.559 -35.080 35.087 1.00 0.00 C ATOM 927 CD LYS A 56 5.220 -34.120 36.076 1.00 0.00 C ATOM 928 CE LYS A 56 5.898 -34.866 37.223 1.00 0.00 C ATOM 929 NZ LYS A 56 6.565 -33.939 38.174 1.00 0.00 N ATOM 0 H LYS A 56 6.869 -37.543 32.804 1.00 0.00 H new ATOM 0 HA LYS A 56 4.216 -37.663 34.086 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.123 -36.538 35.245 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.297 -35.446 33.886 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.059 -34.508 34.305 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.791 -35.658 35.600 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.957 -33.510 35.553 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.470 -33.439 36.478 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.157 -35.461 37.757 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.634 -35.561 36.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.012 -34.487 38.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.290 -33.389 37.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.860 -33.292 38.580 1.00 0.00 H new ATOM 943 N PHE A 57 4.944 -36.243 31.248 1.00 0.00 N ATOM 944 CA PHE A 57 4.392 -35.589 30.064 1.00 0.00 C ATOM 945 C PHE A 57 4.265 -36.601 28.930 1.00 0.00 C ATOM 946 O PHE A 57 5.179 -37.395 28.693 1.00 0.00 O ATOM 947 CB PHE A 57 5.287 -34.419 29.630 1.00 0.00 C ATOM 948 CG PHE A 57 5.558 -33.420 30.728 1.00 0.00 C ATOM 949 CD1 PHE A 57 4.674 -32.379 30.976 1.00 0.00 C ATOM 950 CD2 PHE A 57 6.698 -33.524 31.515 1.00 0.00 C ATOM 951 CE1 PHE A 57 4.922 -31.465 31.983 1.00 0.00 C ATOM 952 CE2 PHE A 57 6.949 -32.613 32.522 1.00 0.00 C ATOM 953 CZ PHE A 57 6.061 -31.583 32.756 1.00 0.00 C ATOM 0 H PHE A 57 5.910 -36.552 31.143 1.00 0.00 H new ATOM 0 HA PHE A 57 3.405 -35.196 30.307 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.236 -34.814 29.269 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.816 -33.905 28.792 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.782 -32.282 30.375 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.397 -34.328 31.337 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.226 -30.659 32.165 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.839 -32.707 33.126 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.256 -30.870 33.543 1.00 0.00 H new ATOM 963 N TYR A 58 3.128 -36.578 28.244 1.00 0.00 N ATOM 964 CA TYR A 58 2.836 -37.535 27.183 1.00 0.00 C ATOM 965 C TYR A 58 2.556 -36.804 25.870 1.00 0.00 C ATOM 966 O TYR A 58 1.660 -35.959 25.797 1.00 0.00 O ATOM 967 CB TYR A 58 1.631 -38.401 27.579 1.00 0.00 C ATOM 968 CG TYR A 58 1.808 -39.107 28.914 1.00 0.00 C ATOM 969 CD1 TYR A 58 2.581 -40.260 29.018 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.211 -38.616 30.072 1.00 0.00 C ATOM 971 CE1 TYR A 58 2.751 -40.899 30.232 1.00 0.00 C ATOM 972 CE2 TYR A 58 1.376 -39.252 31.288 1.00 0.00 C ATOM 973 CZ TYR A 58 2.148 -40.392 31.362 1.00 0.00 C ATOM 974 OH TYR A 58 2.319 -41.028 32.572 1.00 0.00 O ATOM 0 H TYR A 58 2.385 -35.898 28.407 1.00 0.00 H new ATOM 0 HA TYR A 58 3.703 -38.180 27.040 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.741 -37.773 27.623 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.457 -39.146 26.803 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.056 -40.662 28.135 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.608 -37.722 30.019 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.354 -41.793 30.294 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.903 -38.858 32.175 1.00 0.00 H new ATOM 0 HH TYR A 58 3.157 -40.729 32.983 1.00 0.00 H new ATOM 984 N SER A 59 3.336 -37.124 24.843 1.00 0.00 N ATOM 985 CA SER A 59 3.192 -36.497 23.535 1.00 0.00 C ATOM 986 C SER A 59 2.271 -37.315 22.628 1.00 0.00 C ATOM 987 O SER A 59 2.599 -38.440 22.236 1.00 0.00 O ATOM 988 CB SER A 59 4.565 -36.330 22.875 1.00 0.00 C ATOM 989 OG SER A 59 5.382 -35.429 23.608 1.00 0.00 O ATOM 0 H SER A 59 4.080 -37.820 24.893 1.00 0.00 H new ATOM 0 HA SER A 59 2.742 -35.515 23.680 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.059 -37.299 22.807 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.439 -35.964 21.856 1.00 0.00 H new ATOM 0 HG SER A 59 6.258 -35.838 23.769 1.00 0.00 H new ATOM 995 N PHE A 60 1.119 -36.739 22.307 1.00 0.00 N ATOM 996 CA PHE A 60 0.172 -37.344 21.378 1.00 0.00 C ATOM 997 C PHE A 60 0.221 -36.610 20.041 1.00 0.00 C ATOM 998 O PHE A 60 0.602 -35.436 19.980 1.00 0.00 O ATOM 999 CB PHE A 60 -1.257 -37.285 21.945 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.435 -38.011 23.256 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.700 -39.374 23.281 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.345 -37.329 24.463 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.868 -40.040 24.479 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.514 -37.993 25.664 1.00 0.00 C ATOM 1005 CZ PHE A 60 -1.776 -39.349 25.672 1.00 0.00 C ATOM 0 H PHE A 60 0.815 -35.841 22.683 1.00 0.00 H new ATOM 0 HA PHE A 60 0.448 -38.388 21.233 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.539 -36.241 22.080 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.944 -37.708 21.212 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.776 -39.920 22.352 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.141 -36.268 24.463 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.071 -41.101 24.483 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.441 -37.451 26.596 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.909 -39.869 26.609 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.151 -37.304 18.972 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.245 -36.698 17.646 1.00 0.00 C ATOM 1017 C ASN A 61 -1.615 -36.987 17.056 1.00 0.00 C ATOM 1018 O ASN A 61 -2.013 -38.148 16.938 1.00 0.00 O ATOM 1019 CB ASN A 61 0.856 -37.231 16.714 1.00 0.00 C ATOM 1020 CG ASN A 61 0.822 -36.584 15.333 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.414 -35.524 15.119 1.00 0.00 O ATOM 1022 ND2 ASN A 61 0.151 -37.223 14.383 1.00 0.00 N ATOM 0 H ASN A 61 -0.394 -38.294 18.997 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.108 -35.621 17.744 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.830 -37.053 17.170 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.746 -38.310 16.608 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.113 -36.839 13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.327 -38.098 14.597 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.341 -35.931 16.714 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.675 -36.060 16.144 1.00 0.00 C ATOM 1031 C VAL A 62 -3.653 -35.718 14.659 1.00 0.00 C ATOM 1032 O VAL A 62 -3.290 -34.608 14.281 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.686 -35.127 16.856 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -6.078 -35.254 16.234 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.730 -35.417 18.355 1.00 0.00 C ATOM 0 H VAL A 62 -2.025 -34.967 16.823 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.989 -37.094 16.283 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.350 -34.099 16.721 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.770 -34.589 16.751 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.032 -34.981 15.180 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.426 -36.283 16.327 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.447 -34.750 18.834 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.033 -36.451 18.517 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.742 -35.257 18.786 1.00 0.00 H new ATOM 1045 N SER A 63 -4.030 -36.673 13.823 1.00 0.00 N ATOM 1046 CA SER A 63 -4.146 -36.435 12.390 1.00 0.00 C ATOM 1047 C SER A 63 -5.614 -36.498 11.977 1.00 0.00 C ATOM 1048 O SER A 63 -6.218 -37.573 11.970 1.00 0.00 O ATOM 1049 CB SER A 63 -3.331 -37.471 11.614 1.00 0.00 C ATOM 1050 OG SER A 63 -1.999 -37.540 12.095 1.00 0.00 O ATOM 0 H SER A 63 -4.262 -37.623 14.112 1.00 0.00 H new ATOM 0 HA SER A 63 -3.754 -35.445 12.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.803 -38.449 11.702 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.325 -37.214 10.555 1.00 0.00 H new ATOM 0 HG SER A 63 -1.463 -36.836 11.675 1.00 0.00 H new ATOM 1056 N MET A 64 -6.193 -35.345 11.661 1.00 0.00 N ATOM 1057 CA MET A 64 -7.598 -35.273 11.264 1.00 0.00 C ATOM 1058 C MET A 64 -7.744 -34.445 9.995 1.00 0.00 C ATOM 1059 O MET A 64 -6.835 -33.703 9.625 1.00 0.00 O ATOM 1060 CB MET A 64 -8.452 -34.664 12.387 1.00 0.00 C ATOM 1061 CG MET A 64 -8.167 -33.189 12.649 1.00 0.00 C ATOM 1062 SD MET A 64 -9.170 -32.508 13.986 1.00 0.00 S ATOM 1063 CE MET A 64 -10.828 -32.780 13.360 1.00 0.00 C ATOM 0 H MET A 64 -5.712 -34.445 11.671 1.00 0.00 H new ATOM 0 HA MET A 64 -7.950 -36.287 11.072 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.506 -34.781 12.133 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.281 -35.226 13.305 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.112 -33.066 12.894 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.351 -32.621 11.737 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.551 -32.314 14.030 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.918 -32.341 12.366 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.024 -33.851 13.303 1.00 0.00 H new ATOM 1073 N GLU A 65 -8.885 -34.579 9.333 1.00 0.00 N ATOM 1074 CA GLU A 65 -9.163 -33.821 8.117 1.00 0.00 C ATOM 1075 C GLU A 65 -9.538 -32.385 8.460 1.00 0.00 C ATOM 1076 O GLU A 65 -10.097 -32.118 9.525 1.00 0.00 O ATOM 1077 CB GLU A 65 -10.325 -34.449 7.343 1.00 0.00 C ATOM 1078 CG GLU A 65 -10.205 -35.947 7.119 1.00 0.00 C ATOM 1079 CD GLU A 65 -11.475 -36.525 6.517 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -12.531 -36.470 7.188 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -11.435 -37.009 5.369 1.00 0.00 O ATOM 0 H GLU A 65 -9.636 -35.207 9.617 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.261 -33.836 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.252 -34.249 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.406 -33.956 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.363 -36.150 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.993 -36.442 8.067 1.00 0.00 H new ATOM 1088 N VAL A 66 -9.223 -31.473 7.555 1.00 0.00 N ATOM 1089 CA VAL A 66 -9.716 -30.106 7.620 1.00 0.00 C ATOM 1090 C VAL A 66 -10.174 -29.676 6.227 1.00 0.00 C ATOM 1091 O VAL A 66 -9.426 -29.801 5.253 1.00 0.00 O ATOM 1092 CB VAL A 66 -8.645 -29.121 8.166 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -8.404 -29.359 9.657 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -7.335 -29.246 7.388 1.00 0.00 C ATOM 0 H VAL A 66 -8.619 -31.659 6.755 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.554 -30.078 8.316 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.024 -28.108 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.651 -28.660 10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.334 -29.207 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.055 -30.380 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.604 -28.545 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.953 -30.263 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.513 -29.019 6.337 1.00 0.00 H new ATOM 1104 N SER A 67 -11.409 -29.196 6.133 1.00 0.00 N ATOM 1105 CA SER A 67 -12.004 -28.826 4.851 1.00 0.00 C ATOM 1106 C SER A 67 -11.659 -27.382 4.505 1.00 0.00 C ATOM 1107 O SER A 67 -11.712 -26.981 3.342 1.00 0.00 O ATOM 1108 CB SER A 67 -13.529 -29.020 4.907 1.00 0.00 C ATOM 1109 OG SER A 67 -14.134 -28.867 3.629 1.00 0.00 O ATOM 0 H SER A 67 -12.023 -29.053 6.935 1.00 0.00 H new ATOM 0 HA SER A 67 -11.598 -29.471 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.754 -30.012 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.961 -28.299 5.601 1.00 0.00 H new ATOM 0 HG SER A 67 -15.102 -28.999 3.707 1.00 0.00 H new ATOM 1115 N ASN A 68 -11.297 -26.610 5.522 1.00 0.00 N ATOM 1116 CA ASN A 68 -10.924 -25.211 5.340 1.00 0.00 C ATOM 1117 C ASN A 68 -9.846 -24.814 6.343 1.00 0.00 C ATOM 1118 O ASN A 68 -9.422 -25.625 7.173 1.00 0.00 O ATOM 1119 CB ASN A 68 -12.143 -24.300 5.505 1.00 0.00 C ATOM 1120 CG ASN A 68 -12.744 -24.402 6.895 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -12.322 -23.710 7.811 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -13.727 -25.267 7.058 1.00 0.00 N ATOM 0 H ASN A 68 -11.253 -26.932 6.489 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.532 -25.094 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.853 -23.267 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.897 -24.565 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.163 -25.377 7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.051 -25.826 6.269 1.00 0.00 H new ATOM 1129 N GLU A 69 -9.422 -23.558 6.276 1.00 0.00 N ATOM 1130 CA GLU A 69 -8.340 -23.061 7.124 1.00 0.00 C ATOM 1131 C GLU A 69 -8.851 -22.748 8.531 1.00 0.00 C ATOM 1132 O GLU A 69 -8.115 -22.886 9.511 1.00 0.00 O ATOM 1133 CB GLU A 69 -7.692 -21.817 6.492 1.00 0.00 C ATOM 1134 CG GLU A 69 -6.454 -21.326 7.238 1.00 0.00 C ATOM 1135 CD GLU A 69 -5.744 -20.176 6.536 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -5.109 -20.414 5.486 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -5.798 -19.033 7.040 1.00 0.00 O ATOM 0 H GLU A 69 -9.811 -22.861 5.641 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.583 -23.841 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.419 -22.044 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.427 -21.013 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.744 -21.008 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.757 -22.156 7.357 1.00 0.00 H new ATOM 1144 N SER A 70 -10.116 -22.351 8.631 1.00 0.00 N ATOM 1145 CA SER A 70 -10.714 -22.031 9.921 1.00 0.00 C ATOM 1146 C SER A 70 -10.690 -23.254 10.838 1.00 0.00 C ATOM 1147 O SER A 70 -10.404 -23.132 12.028 1.00 0.00 O ATOM 1148 CB SER A 70 -12.150 -21.526 9.738 1.00 0.00 C ATOM 1149 OG SER A 70 -12.188 -20.415 8.855 1.00 0.00 O ATOM 0 H SER A 70 -10.745 -22.244 7.835 1.00 0.00 H new ATOM 0 HA SER A 70 -10.128 -21.238 10.386 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.775 -22.329 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.566 -21.242 10.705 1.00 0.00 H new ATOM 0 HG SER A 70 -13.114 -20.111 8.752 1.00 0.00 H new ATOM 1155 N GLU A 71 -10.970 -24.432 10.271 1.00 0.00 N ATOM 1156 CA GLU A 71 -10.950 -25.679 11.036 1.00 0.00 C ATOM 1157 C GLU A 71 -9.582 -25.910 11.679 1.00 0.00 C ATOM 1158 O GLU A 71 -9.484 -26.058 12.897 1.00 0.00 O ATOM 1159 CB GLU A 71 -11.337 -26.889 10.165 1.00 0.00 C ATOM 1160 CG GLU A 71 -12.838 -27.016 9.914 1.00 0.00 C ATOM 1161 CD GLU A 71 -13.213 -28.292 9.170 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -13.344 -29.356 9.815 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -13.383 -28.237 7.934 1.00 0.00 O ATOM 0 H GLU A 71 -11.212 -24.546 9.287 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.695 -25.579 11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.823 -26.813 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.981 -27.800 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.363 -26.991 10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.179 -26.154 9.340 1.00 0.00 H new ATOM 1170 N ARG A 72 -8.524 -25.902 10.872 1.00 0.00 N ATOM 1171 CA ARG A 72 -7.184 -26.215 11.377 1.00 0.00 C ATOM 1172 C ARG A 72 -6.709 -25.186 12.409 1.00 0.00 C ATOM 1173 O ARG A 72 -5.730 -25.416 13.120 1.00 0.00 O ATOM 1174 CB ARG A 72 -6.171 -26.394 10.222 1.00 0.00 C ATOM 1175 CG ARG A 72 -5.993 -25.199 9.280 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.974 -24.184 9.796 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.402 -23.381 8.707 1.00 0.00 N ATOM 1178 CZ ARG A 72 -3.579 -22.342 8.887 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -3.325 -21.889 10.108 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -3.033 -21.737 7.839 1.00 0.00 N ATOM 0 H ARG A 72 -8.564 -25.685 9.876 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.247 -27.171 11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.200 -26.636 10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.479 -27.254 9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.677 -25.558 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.954 -24.704 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.453 -23.525 10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.174 -24.707 10.320 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.649 -23.632 7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.758 -22.334 10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.696 -21.096 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.241 -22.064 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.406 -20.945 7.977 1.00 0.00 H new ATOM 1194 N ASN A 73 -7.410 -24.055 12.489 1.00 0.00 N ATOM 1195 CA ASN A 73 -7.117 -23.032 13.495 1.00 0.00 C ATOM 1196 C ASN A 73 -8.018 -23.195 14.719 1.00 0.00 C ATOM 1197 O ASN A 73 -7.565 -23.054 15.858 1.00 0.00 O ATOM 1198 CB ASN A 73 -7.287 -21.627 12.902 1.00 0.00 C ATOM 1199 CG ASN A 73 -6.213 -21.289 11.885 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -5.076 -21.754 11.984 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -6.565 -20.484 10.896 1.00 0.00 N ATOM 0 H ASN A 73 -8.186 -23.823 11.869 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.081 -23.159 13.809 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.266 -21.552 12.429 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.265 -20.892 13.707 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.885 -20.228 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.517 -20.120 10.849 1.00 0.00 H new ATOM 1208 N GLU A 74 -9.293 -23.504 14.486 1.00 0.00 N ATOM 1209 CA GLU A 74 -10.266 -23.606 15.571 1.00 0.00 C ATOM 1210 C GLU A 74 -9.988 -24.845 16.416 1.00 0.00 C ATOM 1211 O GLU A 74 -9.990 -24.784 17.644 1.00 0.00 O ATOM 1212 CB GLU A 74 -11.705 -23.625 15.023 1.00 0.00 C ATOM 1213 CG GLU A 74 -12.100 -24.890 14.281 1.00 0.00 C ATOM 1214 CD GLU A 74 -13.519 -24.819 13.735 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -14.463 -25.176 14.475 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -13.704 -24.393 12.576 1.00 0.00 O ATOM 0 H GLU A 74 -9.675 -23.687 13.558 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.165 -22.726 16.206 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.395 -23.481 15.854 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.832 -22.775 14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.405 -25.059 13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.013 -25.745 14.952 1.00 0.00 H new ATOM 1223 N ILE A 75 -9.717 -25.958 15.743 1.00 0.00 N ATOM 1224 CA ILE A 75 -9.412 -27.220 16.404 1.00 0.00 C ATOM 1225 C ILE A 75 -8.232 -27.050 17.354 1.00 0.00 C ATOM 1226 O ILE A 75 -8.266 -27.518 18.490 1.00 0.00 O ATOM 1227 CB ILE A 75 -9.106 -28.314 15.353 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -10.346 -28.536 14.471 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -8.667 -29.618 16.022 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -10.062 -29.245 13.168 1.00 0.00 C ATOM 0 H ILE A 75 -9.703 -26.010 14.724 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.281 -27.529 16.985 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.279 -27.980 14.727 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.079 -29.114 15.034 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.801 -27.570 14.254 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.459 -30.367 15.258 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.767 -29.440 16.610 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.462 -29.977 16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.989 -29.361 12.607 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.354 -28.659 12.582 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.637 -30.227 13.373 1.00 0.00 H new ATOM 1242 N PHE A 76 -7.211 -26.340 16.886 1.00 0.00 N ATOM 1243 CA PHE A 76 -6.030 -26.039 17.693 1.00 0.00 C ATOM 1244 C PHE A 76 -6.432 -25.340 18.997 1.00 0.00 C ATOM 1245 O PHE A 76 -5.871 -25.607 20.065 1.00 0.00 O ATOM 1246 CB PHE A 76 -5.068 -25.154 16.883 1.00 0.00 C ATOM 1247 CG PHE A 76 -3.803 -24.778 17.617 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -2.699 -25.620 17.603 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -3.720 -23.582 18.320 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -1.541 -25.276 18.272 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -2.564 -23.236 18.992 1.00 0.00 C ATOM 1252 CZ PHE A 76 -1.474 -24.083 18.967 1.00 0.00 C ATOM 0 H PHE A 76 -7.177 -25.958 15.941 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.528 -26.971 17.951 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.800 -25.675 15.964 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.590 -24.242 16.592 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.746 -26.554 17.063 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.569 -22.915 18.341 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.688 -25.939 18.252 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.513 -22.304 19.536 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.569 -23.813 19.491 1.00 0.00 H new ATOM 1262 N GLN A 77 -7.424 -24.459 18.899 1.00 0.00 N ATOM 1263 CA GLN A 77 -7.906 -23.699 20.047 1.00 0.00 C ATOM 1264 C GLN A 77 -8.710 -24.599 20.982 1.00 0.00 C ATOM 1265 O GLN A 77 -8.619 -24.479 22.206 1.00 0.00 O ATOM 1266 CB GLN A 77 -8.755 -22.513 19.570 1.00 0.00 C ATOM 1267 CG GLN A 77 -7.951 -21.453 18.822 1.00 0.00 C ATOM 1268 CD GLN A 77 -8.825 -20.427 18.123 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -9.218 -19.419 18.710 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -9.112 -20.666 16.854 1.00 0.00 N ATOM 0 H GLN A 77 -7.913 -24.253 18.028 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.050 -23.313 20.601 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.548 -22.882 18.920 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.237 -22.051 20.432 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.292 -20.942 19.524 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.314 -21.942 18.085 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.767 -21.514 16.404 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.678 -20.003 16.326 1.00 0.00 H new ATOM 1279 N LYS A 78 -9.477 -25.517 20.396 1.00 0.00 N ATOM 1280 CA LYS A 78 -10.284 -26.456 21.173 1.00 0.00 C ATOM 1281 C LYS A 78 -9.374 -27.414 21.940 1.00 0.00 C ATOM 1282 O LYS A 78 -9.674 -27.811 23.066 1.00 0.00 O ATOM 1283 CB LYS A 78 -11.243 -27.235 20.257 1.00 0.00 C ATOM 1284 CG LYS A 78 -12.020 -26.342 19.296 1.00 0.00 C ATOM 1285 CD LYS A 78 -13.154 -27.075 18.587 1.00 0.00 C ATOM 1286 CE LYS A 78 -13.916 -26.135 17.657 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.949 -26.844 16.862 1.00 0.00 N ATOM 0 H LYS A 78 -9.556 -25.630 19.385 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.884 -25.894 21.889 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.673 -27.965 19.683 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.948 -27.794 20.872 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.430 -25.495 19.847 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.335 -25.936 18.551 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.750 -27.910 18.015 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.837 -27.495 19.325 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.390 -25.350 18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.213 -25.647 16.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.751 -26.205 16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.541 -27.146 15.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.280 -27.678 17.388 1.00 0.00 H new ATOM 1301 N ILE A 79 -8.250 -27.760 21.317 1.00 0.00 N ATOM 1302 CA ILE A 79 -7.230 -28.601 21.941 1.00 0.00 C ATOM 1303 C ILE A 79 -6.649 -27.914 23.179 1.00 0.00 C ATOM 1304 O ILE A 79 -6.206 -28.563 24.118 1.00 0.00 O ATOM 1305 CB ILE A 79 -6.089 -28.941 20.944 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -6.636 -29.763 19.762 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.957 -29.695 21.642 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -5.603 -30.076 18.701 1.00 0.00 C ATOM 0 H ILE A 79 -8.020 -27.466 20.368 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.712 -29.532 22.241 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.684 -28.005 20.560 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.047 -30.698 20.142 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.460 -29.217 19.303 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.171 -29.921 20.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.549 -29.078 22.443 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.343 -30.624 22.061 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.065 -30.657 17.903 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.209 -29.146 18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.790 -30.651 19.144 1.00 0.00 H new ATOM 1320 N SER A 80 -6.658 -26.590 23.173 1.00 0.00 N ATOM 1321 CA SER A 80 -6.130 -25.816 24.292 1.00 0.00 C ATOM 1322 C SER A 80 -7.140 -25.746 25.448 1.00 0.00 C ATOM 1323 O SER A 80 -6.864 -25.154 26.492 1.00 0.00 O ATOM 1324 CB SER A 80 -5.786 -24.404 23.818 1.00 0.00 C ATOM 1325 OG SER A 80 -4.912 -24.436 22.696 1.00 0.00 O ATOM 0 H SER A 80 -7.025 -26.026 22.406 1.00 0.00 H new ATOM 0 HA SER A 80 -5.232 -26.313 24.659 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.701 -23.873 23.554 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.318 -23.849 24.631 1.00 0.00 H new ATOM 0 HG SER A 80 -5.393 -24.785 21.917 1.00 0.00 H new ATOM 1331 N GLN A 81 -8.310 -26.355 25.259 1.00 0.00 N ATOM 1332 CA GLN A 81 -9.393 -26.267 26.242 1.00 0.00 C ATOM 1333 C GLN A 81 -9.436 -27.488 27.163 1.00 0.00 C ATOM 1334 O GLN A 81 -10.300 -27.575 28.036 1.00 0.00 O ATOM 1335 CB GLN A 81 -10.741 -26.115 25.523 1.00 0.00 C ATOM 1336 CG GLN A 81 -10.855 -24.845 24.687 1.00 0.00 C ATOM 1337 CD GLN A 81 -12.157 -24.758 23.903 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -12.677 -23.666 23.664 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -12.687 -25.900 23.484 1.00 0.00 N ATOM 0 H GLN A 81 -8.534 -26.914 24.436 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.200 -25.391 26.862 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.897 -26.979 24.877 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.540 -26.123 26.264 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.774 -23.978 25.342 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.016 -24.798 23.992 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.228 -26.785 23.701 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.553 -25.893 22.945 1.00 0.00 H new ATOM 1348 N LEU A 82 -8.510 -28.428 26.980 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.527 -29.667 27.767 1.00 0.00 C ATOM 1350 C LEU A 82 -8.071 -29.399 29.195 1.00 0.00 C ATOM 1351 O LEU A 82 -8.403 -30.158 30.105 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.629 -30.756 27.146 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.475 -30.696 25.621 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.570 -31.814 25.118 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.832 -30.737 24.927 1.00 0.00 C ATOM 0 H LEU A 82 -7.748 -28.361 26.305 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.555 -30.028 27.768 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.639 -30.686 27.596 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.033 -31.732 27.415 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.004 -29.745 25.373 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.478 -31.748 24.034 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.584 -31.716 25.572 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.000 -32.779 25.388 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.690 -30.693 23.847 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.346 -31.662 25.188 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.431 -29.885 25.249 1.00 0.00 H new ATOM 1367 N ASP A 83 -7.280 -28.330 29.367 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.681 -27.967 30.663 1.00 0.00 C ATOM 1369 C ASP A 83 -5.541 -28.923 31.033 1.00 0.00 C ATOM 1370 O ASP A 83 -4.523 -28.509 31.588 1.00 0.00 O ATOM 1371 CB ASP A 83 -7.740 -27.925 31.778 1.00 0.00 C ATOM 1372 CG ASP A 83 -7.151 -27.567 33.132 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -6.805 -26.383 33.342 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -7.032 -28.463 33.994 1.00 0.00 O ATOM 0 H ASP A 83 -7.036 -27.690 28.611 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.263 -26.965 30.560 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.508 -27.197 31.517 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.230 -28.896 31.845 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.721 -30.197 30.698 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.715 -31.235 30.921 1.00 0.00 C ATOM 1381 C LYS A 84 -3.528 -31.064 29.971 1.00 0.00 C ATOM 1382 O LYS A 84 -2.474 -31.679 30.153 1.00 0.00 O ATOM 1383 CB LYS A 84 -5.364 -32.604 30.691 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.539 -32.896 31.623 1.00 0.00 C ATOM 1385 CD LYS A 84 -7.481 -33.944 31.032 1.00 0.00 C ATOM 1386 CE LYS A 84 -8.483 -34.451 32.065 1.00 0.00 C ATOM 1387 NZ LYS A 84 -9.493 -35.367 31.469 1.00 0.00 N ATOM 0 H LYS A 84 -6.575 -30.543 30.261 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.344 -31.155 31.943 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.708 -32.663 29.659 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.609 -33.379 30.820 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.163 -33.245 32.585 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.091 -31.975 31.812 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.017 -33.515 30.186 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.898 -34.782 30.649 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.950 -34.970 32.861 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.991 -33.602 32.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.296 -35.470 32.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.829 -34.974 30.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.061 -36.298 31.301 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.720 -30.243 28.945 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.699 -30.014 27.931 1.00 0.00 C ATOM 1403 C VAL A 85 -1.751 -28.896 28.364 1.00 0.00 C ATOM 1404 O VAL A 85 -2.186 -27.871 28.890 1.00 0.00 O ATOM 1405 CB VAL A 85 -3.343 -29.669 26.563 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -4.219 -28.421 26.664 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -2.275 -29.508 25.484 1.00 0.00 C ATOM 0 H VAL A 85 -4.583 -29.720 28.793 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.126 -30.935 27.819 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.987 -30.501 26.276 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.657 -28.204 25.690 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.014 -28.593 27.389 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.611 -27.575 26.985 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.751 -29.266 24.534 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.594 -28.704 25.763 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.716 -30.438 25.383 1.00 0.00 H new ATOM 1417 N VAL A 86 -0.453 -29.105 28.156 1.00 0.00 N ATOM 1418 CA VAL A 86 0.560 -28.130 28.560 1.00 0.00 C ATOM 1419 C VAL A 86 1.301 -27.556 27.352 1.00 0.00 C ATOM 1420 O VAL A 86 2.026 -26.564 27.476 1.00 0.00 O ATOM 1421 CB VAL A 86 1.584 -28.754 29.543 1.00 0.00 C ATOM 1422 CG1 VAL A 86 0.899 -29.177 30.841 1.00 0.00 C ATOM 1423 CG2 VAL A 86 2.309 -29.936 28.898 1.00 0.00 C ATOM 0 H VAL A 86 -0.077 -29.941 27.710 1.00 0.00 H new ATOM 0 HA VAL A 86 0.032 -27.321 29.064 1.00 0.00 H new ATOM 0 HB VAL A 86 2.328 -27.995 29.784 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.636 -29.612 31.516 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.444 -28.306 31.313 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.128 -29.915 30.621 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.022 -30.357 29.607 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.583 -30.699 28.618 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.840 -29.596 28.009 1.00 0.00 H new ATOM 1433 N GLN A 87 1.124 -28.175 26.184 1.00 0.00 N ATOM 1434 CA GLN A 87 1.806 -27.727 24.971 1.00 0.00 C ATOM 1435 C GLN A 87 1.052 -28.170 23.718 1.00 0.00 C ATOM 1436 O GLN A 87 0.589 -29.311 23.631 1.00 0.00 O ATOM 1437 CB GLN A 87 3.247 -28.263 24.940 1.00 0.00 C ATOM 1438 CG GLN A 87 4.056 -27.812 23.725 1.00 0.00 C ATOM 1439 CD GLN A 87 4.313 -26.311 23.687 1.00 0.00 C ATOM 1440 OE1 GLN A 87 3.531 -25.513 24.208 1.00 0.00 O ATOM 1441 NE2 GLN A 87 5.406 -25.917 23.059 1.00 0.00 N ATOM 0 H GLN A 87 0.517 -28.984 26.053 1.00 0.00 H new ATOM 0 HA GLN A 87 1.832 -26.637 24.983 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.762 -27.942 25.845 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.218 -29.352 24.959 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.012 -28.336 23.720 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.527 -28.105 22.818 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.030 -26.606 22.640 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.626 -24.923 22.993 1.00 0.00 H new ATOM 1450 N THR A 88 0.940 -27.258 22.751 1.00 0.00 N ATOM 1451 CA THR A 88 0.249 -27.528 21.492 1.00 0.00 C ATOM 1452 C THR A 88 1.017 -26.929 20.310 1.00 0.00 C ATOM 1453 O THR A 88 1.261 -25.719 20.272 1.00 0.00 O ATOM 1454 CB THR A 88 -1.183 -26.939 21.503 1.00 0.00 C ATOM 1455 OG1 THR A 88 -1.136 -25.548 21.858 1.00 0.00 O ATOM 1456 CG2 THR A 88 -2.088 -27.683 22.478 1.00 0.00 C ATOM 0 H THR A 88 1.324 -26.316 22.819 1.00 0.00 H new ATOM 0 HA THR A 88 0.193 -28.611 21.382 1.00 0.00 H new ATOM 0 HB THR A 88 -1.597 -27.053 20.501 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.228 -25.001 21.050 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.085 -27.242 22.459 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.150 -28.732 22.189 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.678 -27.608 23.485 1.00 0.00 H new ATOM 1464 N LEU A 89 1.401 -27.773 19.352 1.00 0.00 N ATOM 1465 CA LEU A 89 2.056 -27.309 18.127 1.00 0.00 C ATOM 1466 C LEU A 89 1.179 -27.639 16.923 1.00 0.00 C ATOM 1467 O LEU A 89 0.618 -28.735 16.841 1.00 0.00 O ATOM 1468 CB LEU A 89 3.446 -27.948 17.944 1.00 0.00 C ATOM 1469 CG LEU A 89 4.495 -27.619 19.025 1.00 0.00 C ATOM 1470 CD1 LEU A 89 4.212 -28.376 20.320 1.00 0.00 C ATOM 1471 CD2 LEU A 89 5.904 -27.926 18.518 1.00 0.00 C ATOM 0 H LEU A 89 1.270 -28.783 19.400 1.00 0.00 H new ATOM 0 HA LEU A 89 2.192 -26.231 18.208 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.323 -29.030 17.905 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.841 -27.637 16.977 1.00 0.00 H new ATOM 0 HG LEU A 89 4.429 -26.553 19.241 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.969 -28.123 21.062 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.227 -28.098 20.696 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.237 -29.449 20.127 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.630 -27.687 19.295 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.977 -28.984 18.265 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.110 -27.326 17.632 1.00 0.00 H new