USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=27 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 25 MET CE :methyl 173:sc= -1.53 (180deg=-1.63) USER MOD Set 1.2: A 30 THR OG1 : rot 122:sc= -0.265 USER MOD Single : A 15 TYR OH : rot 130:sc= -0.456! USER MOD Single : A 17 CYS SG : rot -69:sc= -0.465 USER MOD Single : A 21 TYR OH : rot 170:sc= -0.0105 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.336 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 40 TYR OH : rot -110:sc= -0.933 USER MOD Single : A 41 GLN : amide:sc= 0.702 K(o=0.7,f=-0.039) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc=-0.00538 (180deg=-0.121) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.9) USER MOD Single : A 51 THR OG1 : rot 22:sc= -0.166 USER MOD Single : A 52 SER OG : rot 180:sc= -0.16 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -0.682 (180deg=-1.19) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.305 F(o=-1.6,f=-0.31) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 76:sc= 0.511 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.705! C(o=-0.71!,f=-9.9!) USER MOD Single : A 63 SER OG : rot 100:sc= -2.13 USER MOD Single : A 64 MET CE :methyl -129:sc= -2.4! (180deg=-2.52!) USER MOD Single : A 67 SER OG : rot -170:sc= 0.916 USER MOD Single : A 68 ASN : amide:sc= -1.87 K(o=-1.9,f=-9.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.121 K(o=0.12,f=-6.7!) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 78 LYS NZ :NH3+ -119:sc= 0.957 (180deg=-0.998) USER MOD Single : A 80 SER OG : rot -31:sc= 0.504 USER MOD Single : A 81 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -111:sc= 1.83 (180deg=0.0912) USER MOD Single : A 87 GLN : amide:sc= -0.123 K(o=-0.12,f=-3.4!) USER MOD Single : A 88 THR OG1 : rot 36:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -6.524 -26.530 1.076 1.00 0.00 N ATOM 221 CA TYR A 15 -7.701 -27.017 1.790 1.00 0.00 C ATOM 222 C TYR A 15 -8.729 -27.538 0.776 1.00 0.00 C ATOM 223 O TYR A 15 -9.003 -26.865 -0.221 1.00 0.00 O ATOM 224 CB TYR A 15 -8.313 -25.898 2.651 1.00 0.00 C ATOM 225 CG TYR A 15 -7.424 -25.458 3.804 1.00 0.00 C ATOM 226 CD1 TYR A 15 -7.500 -26.088 5.043 1.00 0.00 C ATOM 227 CD2 TYR A 15 -6.505 -24.423 3.654 1.00 0.00 C ATOM 228 CE1 TYR A 15 -6.688 -25.702 6.091 1.00 0.00 C ATOM 229 CE2 TYR A 15 -5.692 -24.031 4.701 1.00 0.00 C ATOM 230 CZ TYR A 15 -5.786 -24.674 5.918 1.00 0.00 C ATOM 231 OH TYR A 15 -4.968 -24.299 6.964 1.00 0.00 O ATOM 0 HA TYR A 15 -7.407 -27.829 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -8.523 -25.037 2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.268 -26.240 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.206 -26.892 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.426 -23.917 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.759 -26.204 7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.986 -23.225 4.567 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.039 -24.258 6.654 1.00 0.00 H new ATOM 241 N PRO A 16 -9.310 -28.742 0.993 1.00 0.00 N ATOM 242 CA PRO A 16 -9.020 -29.597 2.157 1.00 0.00 C ATOM 243 C PRO A 16 -7.669 -30.310 2.064 1.00 0.00 C ATOM 244 O PRO A 16 -7.126 -30.507 0.972 1.00 0.00 O ATOM 245 CB PRO A 16 -10.156 -30.623 2.131 1.00 0.00 C ATOM 246 CG PRO A 16 -10.531 -30.728 0.691 1.00 0.00 C ATOM 247 CD PRO A 16 -10.322 -29.354 0.105 1.00 0.00 C ATOM 0 HA PRO A 16 -8.961 -29.010 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.831 -31.585 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.000 -30.296 2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.914 -31.468 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.568 -31.046 0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.970 -29.408 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.247 -28.778 0.096 1.00 0.00 H new ATOM 255 N CYS A 17 -7.156 -30.702 3.224 1.00 0.00 N ATOM 256 CA CYS A 17 -5.876 -31.397 3.329 1.00 0.00 C ATOM 257 C CYS A 17 -5.670 -31.905 4.752 1.00 0.00 C ATOM 258 O CYS A 17 -6.358 -31.472 5.679 1.00 0.00 O ATOM 259 CB CYS A 17 -4.720 -30.463 2.937 1.00 0.00 C ATOM 260 SG CYS A 17 -3.073 -31.199 3.099 1.00 0.00 S ATOM 0 H CYS A 17 -7.616 -30.547 4.121 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.888 -32.245 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.862 -30.144 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.767 -29.568 3.557 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.798 -31.375 4.357 1.00 0.00 H new ATOM 266 N LEU A 18 -4.734 -32.834 4.913 1.00 0.00 N ATOM 267 CA LEU A 18 -4.369 -33.355 6.229 1.00 0.00 C ATOM 268 C LEU A 18 -3.488 -32.354 6.973 1.00 0.00 C ATOM 269 O LEU A 18 -2.591 -31.743 6.377 1.00 0.00 O ATOM 270 CB LEU A 18 -3.627 -34.692 6.083 1.00 0.00 C ATOM 271 CG LEU A 18 -4.495 -35.880 5.633 1.00 0.00 C ATOM 272 CD1 LEU A 18 -3.620 -37.044 5.182 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.428 -36.324 6.758 1.00 0.00 C ATOM 0 H LEU A 18 -4.209 -33.246 4.142 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.282 -33.515 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.817 -34.563 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.168 -34.940 7.040 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.103 -35.555 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.253 -37.874 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.995 -36.727 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.986 -37.364 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.033 -37.165 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.837 -36.627 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.081 -35.497 7.037 1.00 0.00 H new ATOM 285 N TRP A 19 -3.744 -32.180 8.267 1.00 0.00 N ATOM 286 CA TRP A 19 -2.921 -31.315 9.101 1.00 0.00 C ATOM 287 C TRP A 19 -2.324 -32.123 10.253 1.00 0.00 C ATOM 288 O TRP A 19 -2.996 -32.979 10.836 1.00 0.00 O ATOM 289 CB TRP A 19 -3.738 -30.129 9.634 1.00 0.00 C ATOM 290 CG TRP A 19 -2.879 -29.049 10.230 1.00 0.00 C ATOM 291 CD1 TRP A 19 -2.501 -28.923 11.535 1.00 0.00 C ATOM 292 CD2 TRP A 19 -2.275 -27.952 9.529 1.00 0.00 C ATOM 293 NE1 TRP A 19 -1.703 -27.817 11.690 1.00 0.00 N ATOM 294 CE2 TRP A 19 -1.550 -27.203 10.476 1.00 0.00 C ATOM 295 CE3 TRP A 19 -2.275 -27.527 8.195 1.00 0.00 C ATOM 296 CZ2 TRP A 19 -0.835 -26.059 10.132 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -1.566 -26.390 7.857 1.00 0.00 C ATOM 298 CH2 TRP A 19 -0.853 -25.667 8.822 1.00 0.00 C ATOM 0 H TRP A 19 -4.517 -32.628 8.759 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.110 -30.913 8.494 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.331 -29.708 8.822 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.439 -30.487 10.388 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.788 -29.595 12.330 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.290 -27.503 12.568 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.820 -28.078 7.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.285 -25.500 10.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.562 -26.053 6.831 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.307 -24.783 8.526 1.00 0.00 H new ATOM 309 N ASP A 20 -1.057 -31.855 10.556 1.00 0.00 N ATOM 310 CA ASP A 20 -0.325 -32.580 11.596 1.00 0.00 C ATOM 311 C ASP A 20 -0.405 -31.835 12.932 1.00 0.00 C ATOM 312 O ASP A 20 0.034 -30.685 13.037 1.00 0.00 O ATOM 313 CB ASP A 20 1.142 -32.751 11.163 1.00 0.00 C ATOM 314 CG ASP A 20 1.983 -33.545 12.156 1.00 0.00 C ATOM 315 OD1 ASP A 20 1.955 -34.796 12.103 1.00 0.00 O ATOM 316 OD2 ASP A 20 2.711 -32.923 12.965 1.00 0.00 O ATOM 0 H ASP A 20 -0.508 -31.132 10.091 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.777 -33.562 11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.170 -33.251 10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.589 -31.766 11.027 1.00 0.00 H new ATOM 321 N TYR A 21 -0.980 -32.490 13.942 1.00 0.00 N ATOM 322 CA TYR A 21 -1.116 -31.916 15.284 1.00 0.00 C ATOM 323 C TYR A 21 -0.208 -32.646 16.275 1.00 0.00 C ATOM 324 O TYR A 21 -0.106 -33.877 16.249 1.00 0.00 O ATOM 325 CB TYR A 21 -2.571 -32.006 15.773 1.00 0.00 C ATOM 326 CG TYR A 21 -3.565 -31.185 14.966 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.200 -31.721 13.849 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.877 -29.879 15.333 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.112 -30.977 13.123 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.792 -29.134 14.614 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.406 -29.686 13.510 1.00 0.00 C ATOM 332 OH TYR A 21 -6.317 -28.944 12.793 1.00 0.00 O ATOM 0 H TYR A 21 -1.364 -33.431 13.854 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.822 -30.868 15.227 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.883 -33.050 15.753 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.611 -31.681 16.813 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.977 -32.733 13.545 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.396 -29.440 16.195 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.593 -31.405 12.256 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.025 -28.124 14.916 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.529 -28.123 13.284 1.00 0.00 H new ATOM 342 N ARG A 22 0.438 -31.883 17.154 1.00 0.00 N ATOM 343 CA ARG A 22 1.315 -32.445 18.180 1.00 0.00 C ATOM 344 C ARG A 22 0.681 -32.251 19.555 1.00 0.00 C ATOM 345 O ARG A 22 0.573 -31.122 20.044 1.00 0.00 O ATOM 346 CB ARG A 22 2.691 -31.766 18.124 1.00 0.00 C ATOM 347 CG ARG A 22 3.805 -32.537 18.827 1.00 0.00 C ATOM 348 CD ARG A 22 3.951 -33.944 18.257 1.00 0.00 C ATOM 349 NE ARG A 22 3.818 -33.954 16.795 1.00 0.00 N ATOM 350 CZ ARG A 22 3.483 -35.030 16.082 1.00 0.00 C ATOM 351 NH1 ARG A 22 3.357 -36.212 16.670 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.272 -34.922 14.779 1.00 0.00 N ATOM 0 H ARG A 22 0.370 -30.866 17.176 1.00 0.00 H new ATOM 0 HA ARG A 22 1.448 -33.511 17.998 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.969 -31.622 17.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.612 -30.776 18.573 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.747 -31.999 18.719 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.592 -32.595 19.894 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.923 -34.351 18.537 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.195 -34.595 18.696 1.00 0.00 H new ATOM 0 HE ARG A 22 3.993 -33.083 16.293 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.517 -36.302 17.673 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.100 -37.031 16.119 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.366 -34.016 14.321 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.016 -35.745 14.234 1.00 0.00 H new ATOM 366 N VAL A 23 0.255 -33.351 20.170 1.00 0.00 N ATOM 367 CA VAL A 23 -0.467 -33.301 21.440 1.00 0.00 C ATOM 368 C VAL A 23 0.358 -33.937 22.558 1.00 0.00 C ATOM 369 O VAL A 23 0.535 -35.153 22.589 1.00 0.00 O ATOM 370 CB VAL A 23 -1.830 -34.032 21.335 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.650 -33.841 22.610 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.603 -33.555 20.106 1.00 0.00 C ATOM 0 H VAL A 23 0.398 -34.294 19.807 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.643 -32.251 21.673 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.638 -35.099 21.220 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.602 -34.363 22.512 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.100 -34.245 23.460 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.834 -32.778 22.769 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.557 -34.080 20.050 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.783 -32.483 20.183 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.022 -33.762 19.208 1.00 0.00 H new ATOM 382 N ILE A 24 0.870 -33.111 23.464 1.00 0.00 N ATOM 383 CA ILE A 24 1.656 -33.600 24.596 1.00 0.00 C ATOM 384 C ILE A 24 0.805 -33.596 25.867 1.00 0.00 C ATOM 385 O ILE A 24 0.439 -32.533 26.379 1.00 0.00 O ATOM 386 CB ILE A 24 2.928 -32.741 24.814 1.00 0.00 C ATOM 387 CG1 ILE A 24 3.778 -32.718 23.529 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.745 -33.276 25.994 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.028 -31.869 23.629 1.00 0.00 C ATOM 0 H ILE A 24 0.756 -32.098 23.438 1.00 0.00 H new ATOM 0 HA ILE A 24 1.969 -34.619 24.370 1.00 0.00 H new ATOM 0 HB ILE A 24 2.624 -31.721 25.048 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.065 -33.739 23.278 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.165 -32.348 22.707 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.634 -32.660 26.131 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.139 -33.245 26.900 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.044 -34.305 25.793 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.570 -31.906 22.684 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.751 -30.838 23.848 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.664 -32.251 24.427 1.00 0.00 H new ATOM 401 N MET A 25 0.481 -34.789 26.362 1.00 0.00 N ATOM 402 CA MET A 25 -0.393 -34.939 27.528 1.00 0.00 C ATOM 403 C MET A 25 0.362 -35.557 28.704 1.00 0.00 C ATOM 404 O MET A 25 1.452 -36.100 28.535 1.00 0.00 O ATOM 405 CB MET A 25 -1.604 -35.816 27.169 1.00 0.00 C ATOM 406 CG MET A 25 -2.425 -35.281 26.001 1.00 0.00 C ATOM 407 SD MET A 25 -3.788 -36.374 25.542 1.00 0.00 S ATOM 408 CE MET A 25 -4.740 -36.402 27.059 1.00 0.00 C ATOM 0 H MET A 25 0.812 -35.672 25.972 1.00 0.00 H new ATOM 0 HA MET A 25 -0.737 -33.948 27.823 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.255 -36.820 26.926 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.248 -35.905 28.044 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.824 -34.301 26.262 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.773 -35.140 25.139 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.676 -36.935 26.891 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.169 -36.908 27.838 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.955 -35.380 27.372 1.00 0.00 H new ATOM 418 N THR A 26 -0.228 -35.468 29.893 1.00 0.00 N ATOM 419 CA THR A 26 0.360 -36.038 31.106 1.00 0.00 C ATOM 420 C THR A 26 -0.253 -37.400 31.438 1.00 0.00 C ATOM 421 O THR A 26 -0.078 -37.918 32.543 1.00 0.00 O ATOM 422 CB THR A 26 0.174 -35.080 32.307 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.154 -34.527 32.295 1.00 0.00 O ATOM 424 CG2 THR A 26 1.202 -33.956 32.277 1.00 0.00 C ATOM 0 H THR A 26 -1.122 -35.002 30.045 1.00 0.00 H new ATOM 0 HA THR A 26 1.425 -36.175 30.916 1.00 0.00 H new ATOM 0 HB THR A 26 0.320 -35.653 33.223 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.264 -33.923 33.059 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.047 -33.298 33.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.205 -34.379 32.322 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.090 -33.385 31.355 1.00 0.00 H new ATOM 432 N THR A 27 -0.958 -37.985 30.475 1.00 0.00 N ATOM 433 CA THR A 27 -1.583 -39.288 30.657 1.00 0.00 C ATOM 434 C THR A 27 -1.829 -39.946 29.306 1.00 0.00 C ATOM 435 O THR A 27 -1.834 -39.271 28.272 1.00 0.00 O ATOM 436 CB THR A 27 -2.930 -39.179 31.415 1.00 0.00 C ATOM 437 OG1 THR A 27 -3.476 -40.488 31.639 1.00 0.00 O ATOM 438 CG2 THR A 27 -3.933 -38.337 30.635 1.00 0.00 C ATOM 0 H THR A 27 -1.111 -37.573 29.555 1.00 0.00 H new ATOM 0 HA THR A 27 -0.899 -39.894 31.251 1.00 0.00 H new ATOM 0 HB THR A 27 -2.739 -38.693 32.372 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.237 -40.424 32.253 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.869 -38.278 31.191 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.532 -37.334 30.492 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.116 -38.797 29.664 1.00 0.00 H new ATOM 446 N LYS A 28 -2.026 -41.259 29.320 1.00 0.00 N ATOM 447 CA LYS A 28 -2.385 -41.999 28.114 1.00 0.00 C ATOM 448 C LYS A 28 -3.893 -42.215 28.067 1.00 0.00 C ATOM 449 O LYS A 28 -4.440 -42.670 27.061 1.00 0.00 O ATOM 450 CB LYS A 28 -1.645 -43.341 28.052 1.00 0.00 C ATOM 451 CG LYS A 28 -0.124 -43.200 28.011 1.00 0.00 C ATOM 452 CD LYS A 28 0.564 -44.528 27.703 1.00 0.00 C ATOM 453 CE LYS A 28 0.208 -45.035 26.308 1.00 0.00 C ATOM 454 NZ LYS A 28 0.805 -46.365 26.022 1.00 0.00 N ATOM 0 H LYS A 28 -1.943 -41.836 30.157 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.085 -41.413 27.246 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.923 -43.940 28.919 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.975 -43.888 27.169 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.152 -42.465 27.255 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.231 -42.821 28.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.644 -44.406 27.782 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.272 -45.270 28.446 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.876 -45.098 26.212 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.553 -44.317 25.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.536 -46.668 25.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.841 -46.302 26.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.457 -47.058 26.715 1.00 0.00 H new ATOM 468 N ASP A 29 -4.563 -41.869 29.164 1.00 0.00 N ATOM 469 CA ASP A 29 -6.014 -41.943 29.233 1.00 0.00 C ATOM 470 C ASP A 29 -6.604 -40.731 28.526 1.00 0.00 C ATOM 471 O ASP A 29 -6.961 -39.725 29.151 1.00 0.00 O ATOM 472 CB ASP A 29 -6.489 -42.018 30.692 1.00 0.00 C ATOM 473 CG ASP A 29 -8.003 -41.905 30.832 1.00 0.00 C ATOM 474 OD1 ASP A 29 -8.720 -42.824 30.388 1.00 0.00 O ATOM 475 OD2 ASP A 29 -8.479 -40.898 31.407 1.00 0.00 O ATOM 0 H ASP A 29 -4.119 -41.534 30.019 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.356 -42.850 28.735 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.159 -42.961 31.128 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.016 -41.220 31.264 1.00 0.00 H new ATOM 480 N THR A 30 -6.639 -40.808 27.206 1.00 0.00 N ATOM 481 CA THR A 30 -7.104 -39.705 26.390 1.00 0.00 C ATOM 482 C THR A 30 -8.427 -40.062 25.705 1.00 0.00 C ATOM 483 O THR A 30 -8.470 -40.853 24.758 1.00 0.00 O ATOM 484 CB THR A 30 -6.025 -39.286 25.353 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.483 -38.170 24.586 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.644 -40.435 24.422 1.00 0.00 C ATOM 0 H THR A 30 -6.348 -41.630 26.676 1.00 0.00 H new ATOM 0 HA THR A 30 -7.283 -38.849 27.041 1.00 0.00 H new ATOM 0 HB THR A 30 -5.132 -39.004 25.912 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.857 -37.423 24.690 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.887 -40.095 23.715 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.246 -41.262 25.009 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.526 -40.769 23.876 1.00 0.00 H new ATOM 494 N SER A 31 -9.517 -39.507 26.228 1.00 0.00 N ATOM 495 CA SER A 31 -10.845 -39.729 25.669 1.00 0.00 C ATOM 496 C SER A 31 -11.382 -38.439 25.057 1.00 0.00 C ATOM 497 O SER A 31 -11.831 -38.422 23.909 1.00 0.00 O ATOM 498 CB SER A 31 -11.788 -40.242 26.763 1.00 0.00 C ATOM 499 OG SER A 31 -11.261 -41.409 27.374 1.00 0.00 O ATOM 0 H SER A 31 -9.504 -38.896 27.044 1.00 0.00 H new ATOM 0 HA SER A 31 -10.781 -40.480 24.881 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.936 -39.467 27.515 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.766 -40.460 26.334 1.00 0.00 H new ATOM 0 HG SER A 31 -11.876 -41.720 28.070 1.00 0.00 H new ATOM 505 N THR A 32 -11.295 -37.356 25.828 1.00 0.00 N ATOM 506 CA THR A 32 -11.781 -36.045 25.406 1.00 0.00 C ATOM 507 C THR A 32 -11.168 -35.635 24.065 1.00 0.00 C ATOM 508 O THR A 32 -11.827 -35.014 23.229 1.00 0.00 O ATOM 509 CB THR A 32 -11.444 -34.982 26.475 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.752 -35.502 27.779 1.00 0.00 O ATOM 511 CG2 THR A 32 -12.222 -33.689 26.243 1.00 0.00 C ATOM 0 H THR A 32 -10.886 -37.364 26.762 1.00 0.00 H new ATOM 0 HA THR A 32 -12.862 -36.111 25.287 1.00 0.00 H new ATOM 0 HB THR A 32 -10.381 -34.753 26.404 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.537 -34.829 28.459 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.960 -32.964 27.013 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.971 -33.284 25.263 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.291 -33.895 26.287 1.00 0.00 H new ATOM 519 N LEU A 33 -9.903 -36.009 23.868 1.00 0.00 N ATOM 520 CA LEU A 33 -9.180 -35.699 22.637 1.00 0.00 C ATOM 521 C LEU A 33 -9.896 -36.303 21.434 1.00 0.00 C ATOM 522 O LEU A 33 -10.126 -35.629 20.433 1.00 0.00 O ATOM 523 CB LEU A 33 -7.741 -36.225 22.726 1.00 0.00 C ATOM 524 CG LEU A 33 -6.839 -35.933 21.514 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.730 -34.431 21.260 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.454 -36.548 21.721 1.00 0.00 C ATOM 0 H LEU A 33 -9.356 -36.531 24.552 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.149 -34.617 22.510 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.273 -35.798 23.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.778 -37.304 22.874 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.293 -36.388 20.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.087 -34.253 20.398 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.721 -34.022 21.063 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.304 -33.944 22.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.827 -36.333 20.855 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.997 -36.123 22.614 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.549 -37.627 21.841 1.00 0.00 H new ATOM 538 N LYS A 34 -10.270 -37.572 21.551 1.00 0.00 N ATOM 539 CA LYS A 34 -10.986 -38.261 20.484 1.00 0.00 C ATOM 540 C LYS A 34 -12.370 -37.646 20.300 1.00 0.00 C ATOM 541 O LYS A 34 -12.789 -37.359 19.180 1.00 0.00 O ATOM 542 CB LYS A 34 -11.112 -39.755 20.805 1.00 0.00 C ATOM 543 CG LYS A 34 -9.772 -40.462 20.993 1.00 0.00 C ATOM 544 CD LYS A 34 -9.954 -41.924 21.400 1.00 0.00 C ATOM 545 CE LYS A 34 -10.738 -42.056 22.701 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.818 -43.465 23.164 1.00 0.00 N ATOM 0 H LYS A 34 -10.089 -38.145 22.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.423 -38.150 19.557 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.704 -39.873 21.712 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.660 -40.245 20.000 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.201 -40.411 20.066 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.190 -39.942 21.755 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.474 -42.460 20.606 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.977 -42.394 21.515 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.265 -41.448 23.472 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.745 -41.664 22.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.359 -43.509 24.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.292 -44.042 22.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.859 -43.832 23.326 1.00 0.00 H new ATOM 560 N GLU A 35 -13.054 -37.414 21.419 1.00 0.00 N ATOM 561 CA GLU A 35 -14.420 -36.900 21.408 1.00 0.00 C ATOM 562 C GLU A 35 -14.536 -35.611 20.595 1.00 0.00 C ATOM 563 O GLU A 35 -15.439 -35.476 19.763 1.00 0.00 O ATOM 564 CB GLU A 35 -14.914 -36.660 22.838 1.00 0.00 C ATOM 565 CG GLU A 35 -15.044 -37.936 23.663 1.00 0.00 C ATOM 566 CD GLU A 35 -15.654 -37.693 25.032 1.00 0.00 C ATOM 567 OE1 GLU A 35 -16.848 -37.320 25.097 1.00 0.00 O ATOM 568 OE2 GLU A 35 -14.953 -37.878 26.049 1.00 0.00 O ATOM 0 H GLU A 35 -12.678 -37.576 22.353 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.046 -37.654 20.932 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.226 -35.981 23.342 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.883 -36.162 22.800 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.658 -38.654 23.119 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.059 -38.387 23.784 1.00 0.00 H new ATOM 575 N LEU A 36 -13.622 -34.670 20.831 1.00 0.00 N ATOM 576 CA LEU A 36 -13.667 -33.384 20.140 1.00 0.00 C ATOM 577 C LEU A 36 -13.397 -33.573 18.647 1.00 0.00 C ATOM 578 O LEU A 36 -13.958 -32.865 17.818 1.00 0.00 O ATOM 579 CB LEU A 36 -12.677 -32.382 20.772 1.00 0.00 C ATOM 580 CG LEU A 36 -11.174 -32.686 20.588 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.626 -32.054 19.307 1.00 0.00 C ATOM 582 CD2 LEU A 36 -10.374 -32.217 21.800 1.00 0.00 C ATOM 0 H LEU A 36 -12.849 -34.773 21.489 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.667 -32.965 20.251 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.879 -31.395 20.355 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.885 -32.325 21.840 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.067 -33.767 20.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.566 -32.289 19.210 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.165 -32.450 18.446 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.756 -30.973 19.350 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.318 -32.441 21.648 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.502 -31.142 21.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.730 -32.732 22.692 1.00 0.00 H new ATOM 594 N LEU A 37 -12.557 -34.549 18.312 1.00 0.00 N ATOM 595 CA LEU A 37 -12.248 -34.857 16.914 1.00 0.00 C ATOM 596 C LEU A 37 -13.466 -35.479 16.226 1.00 0.00 C ATOM 597 O LEU A 37 -13.769 -35.177 15.068 1.00 0.00 O ATOM 598 CB LEU A 37 -11.050 -35.819 16.832 1.00 0.00 C ATOM 599 CG LEU A 37 -9.738 -35.297 17.444 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.671 -36.389 17.455 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.240 -34.066 16.693 1.00 0.00 C ATOM 0 H LEU A 37 -12.077 -35.142 18.989 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.990 -33.929 16.403 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.319 -36.750 17.332 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.871 -36.060 15.784 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.940 -35.008 18.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.753 -35.996 17.892 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.022 -37.235 18.047 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.475 -36.717 16.434 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.312 -33.715 17.144 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.061 -34.324 15.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.991 -33.278 16.748 1.00 0.00 H new ATOM 613 N GLU A 38 -14.171 -36.333 16.963 1.00 0.00 N ATOM 614 CA GLU A 38 -15.299 -37.087 16.422 1.00 0.00 C ATOM 615 C GLU A 38 -16.513 -36.193 16.152 1.00 0.00 C ATOM 616 O GLU A 38 -17.367 -36.537 15.332 1.00 0.00 O ATOM 617 CB GLU A 38 -15.676 -38.231 17.376 1.00 0.00 C ATOM 618 CG GLU A 38 -14.578 -39.280 17.535 1.00 0.00 C ATOM 619 CD GLU A 38 -14.975 -40.420 18.460 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.608 -41.385 17.982 1.00 0.00 O ATOM 621 OE2 GLU A 38 -14.665 -40.356 19.669 1.00 0.00 O ATOM 0 H GLU A 38 -13.978 -36.522 17.947 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.987 -37.504 15.465 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.913 -37.814 18.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.580 -38.716 17.009 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.326 -39.685 16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.679 -38.801 17.923 1.00 0.00 H new ATOM 628 N THR A 39 -16.588 -35.042 16.821 1.00 0.00 N ATOM 629 CA THR A 39 -17.718 -34.129 16.631 1.00 0.00 C ATOM 630 C THR A 39 -17.758 -33.600 15.195 1.00 0.00 C ATOM 631 O THR A 39 -18.812 -33.201 14.697 1.00 0.00 O ATOM 632 CB THR A 39 -17.689 -32.934 17.620 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.495 -32.162 17.441 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.776 -33.414 19.065 1.00 0.00 C ATOM 0 H THR A 39 -15.890 -34.721 17.492 1.00 0.00 H new ATOM 0 HA THR A 39 -18.618 -34.710 16.832 1.00 0.00 H new ATOM 0 HB THR A 39 -18.556 -32.309 17.408 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.729 -32.657 17.799 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.753 -32.555 19.736 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.706 -33.964 19.210 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.931 -34.067 19.283 1.00 0.00 H new ATOM 642 N TYR A 40 -16.606 -33.620 14.524 1.00 0.00 N ATOM 643 CA TYR A 40 -16.508 -33.143 13.144 1.00 0.00 C ATOM 644 C TYR A 40 -16.940 -34.230 12.160 1.00 0.00 C ATOM 645 O TYR A 40 -17.059 -33.979 10.958 1.00 0.00 O ATOM 646 CB TYR A 40 -15.078 -32.678 12.840 1.00 0.00 C ATOM 647 CG TYR A 40 -14.599 -31.584 13.776 1.00 0.00 C ATOM 648 CD1 TYR A 40 -15.011 -30.267 13.606 1.00 0.00 C ATOM 649 CD2 TYR A 40 -13.757 -31.875 14.842 1.00 0.00 C ATOM 650 CE1 TYR A 40 -14.596 -29.273 14.471 1.00 0.00 C ATOM 651 CE2 TYR A 40 -13.336 -30.886 15.710 1.00 0.00 C ATOM 652 CZ TYR A 40 -13.760 -29.587 15.522 1.00 0.00 C ATOM 653 OH TYR A 40 -13.354 -28.601 16.391 1.00 0.00 O ATOM 0 H TYR A 40 -15.727 -33.961 14.914 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.182 -32.294 13.027 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.402 -33.530 12.910 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.030 -32.317 11.813 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.666 -30.017 12.784 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.426 -32.892 14.995 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -14.925 -28.255 14.325 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.678 -31.129 16.532 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.400 -28.422 16.260 1.00 0.00 H new ATOM 663 N GLN A 41 -17.161 -35.442 12.682 1.00 0.00 N ATOM 664 CA GLN A 41 -17.664 -36.569 11.885 1.00 0.00 C ATOM 665 C GLN A 41 -16.687 -36.954 10.772 1.00 0.00 C ATOM 666 O GLN A 41 -17.073 -37.585 9.785 1.00 0.00 O ATOM 667 CB GLN A 41 -19.042 -36.225 11.292 1.00 0.00 C ATOM 668 CG GLN A 41 -20.123 -35.972 12.339 1.00 0.00 C ATOM 669 CD GLN A 41 -20.489 -37.221 13.122 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.374 -37.981 12.721 1.00 0.00 O ATOM 671 NE2 GLN A 41 -19.815 -37.442 14.239 1.00 0.00 N ATOM 0 H GLN A 41 -16.998 -35.669 13.663 1.00 0.00 H new ATOM 0 HA GLN A 41 -17.763 -37.428 12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -18.945 -35.340 10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.362 -37.042 10.645 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -19.779 -35.203 13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.015 -35.583 11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.090 -36.788 14.535 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.020 -38.266 14.804 1.00 0.00 H new ATOM 680 N ARG A 42 -15.420 -36.592 10.948 1.00 0.00 N ATOM 681 CA ARG A 42 -14.385 -36.887 9.959 1.00 0.00 C ATOM 682 C ARG A 42 -13.309 -37.786 10.579 1.00 0.00 C ATOM 683 O ARG A 42 -13.147 -37.803 11.800 1.00 0.00 O ATOM 684 CB ARG A 42 -13.761 -35.582 9.432 1.00 0.00 C ATOM 685 CG ARG A 42 -13.014 -34.775 10.490 1.00 0.00 C ATOM 686 CD ARG A 42 -12.187 -33.652 9.872 1.00 0.00 C ATOM 687 NE ARG A 42 -13.000 -32.537 9.368 1.00 0.00 N ATOM 688 CZ ARG A 42 -13.137 -32.228 8.074 1.00 0.00 C ATOM 689 NH1 ARG A 42 -12.689 -33.054 7.131 1.00 0.00 N ATOM 690 NH2 ARG A 42 -13.747 -31.102 7.726 1.00 0.00 N ATOM 0 H ARG A 42 -15.083 -36.091 11.770 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.839 -37.413 9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.073 -35.823 8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.549 -34.961 9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.729 -34.353 11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.360 -35.438 11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.487 -33.274 10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.592 -34.057 9.053 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.493 -31.960 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.237 -33.930 7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.798 -32.811 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.110 -30.475 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.853 -30.863 6.740 1.00 0.00 H new ATOM 704 N PRO A 43 -12.567 -38.552 9.750 1.00 0.00 N ATOM 705 CA PRO A 43 -11.531 -39.475 10.238 1.00 0.00 C ATOM 706 C PRO A 43 -10.297 -38.746 10.776 1.00 0.00 C ATOM 707 O PRO A 43 -10.042 -37.587 10.432 1.00 0.00 O ATOM 708 CB PRO A 43 -11.176 -40.299 8.992 1.00 0.00 C ATOM 709 CG PRO A 43 -11.480 -39.393 7.848 1.00 0.00 C ATOM 710 CD PRO A 43 -12.679 -38.588 8.275 1.00 0.00 C ATOM 0 HA PRO A 43 -11.884 -40.076 11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.127 -40.594 8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.765 -41.215 8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.632 -38.745 7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.692 -39.962 6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.662 -37.586 7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.610 -39.055 7.955 1.00 0.00 H new ATOM 718 N PHE A 44 -9.536 -39.443 11.617 1.00 0.00 N ATOM 719 CA PHE A 44 -8.322 -38.899 12.218 1.00 0.00 C ATOM 720 C PHE A 44 -7.386 -40.035 12.627 1.00 0.00 C ATOM 721 O PHE A 44 -7.746 -41.212 12.529 1.00 0.00 O ATOM 722 CB PHE A 44 -8.670 -38.029 13.440 1.00 0.00 C ATOM 723 CG PHE A 44 -9.430 -38.761 14.525 1.00 0.00 C ATOM 724 CD1 PHE A 44 -10.817 -38.819 14.503 1.00 0.00 C ATOM 725 CD2 PHE A 44 -8.756 -39.388 15.569 1.00 0.00 C ATOM 726 CE1 PHE A 44 -11.515 -39.484 15.495 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.451 -40.052 16.562 1.00 0.00 C ATOM 728 CZ PHE A 44 -10.831 -40.100 16.526 1.00 0.00 C ATOM 0 H PHE A 44 -9.744 -40.400 11.900 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.817 -38.274 11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.748 -37.631 13.863 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.263 -37.177 13.108 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.358 -38.339 13.701 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.677 -39.355 15.603 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.594 -39.522 15.464 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.915 -40.534 17.366 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.375 -40.618 17.302 1.00 0.00 H new ATOM 738 N LYS A 45 -6.182 -39.681 13.064 1.00 0.00 N ATOM 739 CA LYS A 45 -5.234 -40.656 13.590 1.00 0.00 C ATOM 740 C LYS A 45 -4.970 -40.400 15.069 1.00 0.00 C ATOM 741 O LYS A 45 -4.918 -39.250 15.508 1.00 0.00 O ATOM 742 CB LYS A 45 -3.902 -40.589 12.831 1.00 0.00 C ATOM 743 CG LYS A 45 -2.859 -41.587 13.339 1.00 0.00 C ATOM 744 CD LYS A 45 -1.450 -41.279 12.832 1.00 0.00 C ATOM 745 CE LYS A 45 -1.360 -41.281 11.311 1.00 0.00 C ATOM 746 NZ LYS A 45 -1.840 -42.559 10.721 1.00 0.00 N ATOM 0 H LYS A 45 -5.839 -38.721 13.064 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.673 -41.645 13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.086 -40.775 11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.497 -39.580 12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.858 -41.581 14.429 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.141 -42.592 13.026 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.137 -40.305 13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.754 -42.015 13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.949 -40.455 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.327 -41.109 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.651 -42.562 9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.343 -43.356 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.863 -42.654 10.884 1.00 0.00 H new ATOM 760 N LEU A 46 -4.810 -41.478 15.823 1.00 0.00 N ATOM 761 CA LEU A 46 -4.355 -41.409 17.205 1.00 0.00 C ATOM 762 C LEU A 46 -3.166 -42.352 17.364 1.00 0.00 C ATOM 763 O LEU A 46 -3.332 -43.574 17.355 1.00 0.00 O ATOM 764 CB LEU A 46 -5.488 -41.800 18.169 1.00 0.00 C ATOM 765 CG LEU A 46 -5.153 -41.675 19.667 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.902 -40.218 20.052 1.00 0.00 C ATOM 767 CD2 LEU A 46 -6.268 -42.276 20.523 1.00 0.00 C ATOM 0 H LEU A 46 -4.992 -42.426 15.494 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.056 -40.389 17.447 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.356 -41.176 17.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.778 -42.831 17.964 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.237 -42.236 19.855 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.668 -40.158 21.115 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.065 -39.828 19.473 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.794 -39.628 19.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.011 -42.177 21.578 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.202 -41.749 20.326 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.388 -43.331 20.276 1.00 0.00 H new ATOM 779 N GLU A 47 -1.968 -41.786 17.473 1.00 0.00 N ATOM 780 CA GLU A 47 -0.740 -42.583 17.510 1.00 0.00 C ATOM 781 C GLU A 47 0.256 -42.014 18.517 1.00 0.00 C ATOM 782 O GLU A 47 0.674 -40.862 18.410 1.00 0.00 O ATOM 783 CB GLU A 47 -0.112 -42.650 16.098 1.00 0.00 C ATOM 784 CG GLU A 47 -0.191 -44.028 15.446 1.00 0.00 C ATOM 785 CD GLU A 47 0.545 -45.098 16.244 1.00 0.00 C ATOM 786 OE1 GLU A 47 1.782 -45.208 16.102 1.00 0.00 O ATOM 787 OE2 GLU A 47 -0.107 -45.837 17.012 1.00 0.00 O ATOM 0 H GLU A 47 -1.818 -40.779 17.537 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.994 -43.593 17.832 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.612 -41.926 15.455 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.934 -42.350 16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.237 -44.315 15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.230 -43.975 14.442 1.00 0.00 H new ATOM 794 N PHE A 48 0.620 -42.827 19.501 1.00 0.00 N ATOM 795 CA PHE A 48 1.623 -42.452 20.492 1.00 0.00 C ATOM 796 C PHE A 48 3.021 -42.513 19.873 1.00 0.00 C ATOM 797 O PHE A 48 3.402 -43.528 19.287 1.00 0.00 O ATOM 798 CB PHE A 48 1.533 -43.390 21.708 1.00 0.00 C ATOM 799 CG PHE A 48 2.611 -43.173 22.743 1.00 0.00 C ATOM 800 CD1 PHE A 48 2.559 -42.090 23.607 1.00 0.00 C ATOM 801 CD2 PHE A 48 3.677 -44.058 22.851 1.00 0.00 C ATOM 802 CE1 PHE A 48 3.544 -41.894 24.556 1.00 0.00 C ATOM 803 CE2 PHE A 48 4.662 -43.868 23.799 1.00 0.00 C ATOM 804 CZ PHE A 48 4.595 -42.784 24.654 1.00 0.00 C ATOM 0 H PHE A 48 0.231 -43.760 19.635 1.00 0.00 H new ATOM 0 HA PHE A 48 1.434 -41.431 20.822 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.560 -43.259 22.181 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.582 -44.422 21.360 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.739 -41.391 23.537 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.735 -44.906 22.184 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.492 -41.045 25.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.484 -44.565 23.873 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.364 -42.633 25.398 1.00 0.00 H new ATOM 814 N LYS A 49 3.774 -41.425 19.993 1.00 0.00 N ATOM 815 CA LYS A 49 5.130 -41.367 19.452 1.00 0.00 C ATOM 816 C LYS A 49 6.148 -41.825 20.497 1.00 0.00 C ATOM 817 O LYS A 49 6.672 -42.940 20.417 1.00 0.00 O ATOM 818 CB LYS A 49 5.454 -39.944 18.966 1.00 0.00 C ATOM 819 CG LYS A 49 4.681 -39.521 17.715 1.00 0.00 C ATOM 820 CD LYS A 49 5.051 -40.373 16.497 1.00 0.00 C ATOM 821 CE LYS A 49 4.377 -39.870 15.222 1.00 0.00 C ATOM 822 NZ LYS A 49 4.752 -40.671 14.025 1.00 0.00 N ATOM 0 H LYS A 49 3.470 -40.571 20.460 1.00 0.00 H new ATOM 0 HA LYS A 49 5.190 -42.044 18.600 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.238 -39.239 19.769 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.522 -39.876 18.760 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.611 -39.605 17.904 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.886 -38.472 17.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.133 -40.364 16.363 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.761 -41.408 16.677 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.295 -39.900 15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.650 -38.828 15.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.269 -40.290 13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.781 -40.623 13.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.468 -41.661 14.167 1.00 0.00 H new ATOM 836 N ASN A 50 6.403 -40.980 21.492 1.00 0.00 N ATOM 837 CA ASN A 50 7.394 -41.288 22.526 1.00 0.00 C ATOM 838 C ASN A 50 7.093 -40.519 23.811 1.00 0.00 C ATOM 839 O ASN A 50 6.550 -39.409 23.774 1.00 0.00 O ATOM 840 CB ASN A 50 8.810 -40.949 22.030 1.00 0.00 C ATOM 841 CG ASN A 50 9.895 -41.313 23.037 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.760 -42.273 23.801 1.00 0.00 O ATOM 843 ND2 ASN A 50 10.976 -40.549 23.050 1.00 0.00 N ATOM 0 H ASN A 50 5.940 -40.078 21.607 1.00 0.00 H new ATOM 0 HA ASN A 50 7.340 -42.355 22.740 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.998 -41.477 21.095 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.867 -39.883 21.812 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.732 -40.746 23.706 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.053 -39.764 22.404 1.00 0.00 H new ATOM 850 N THR A 51 7.438 -41.124 24.942 1.00 0.00 N ATOM 851 CA THR A 51 7.255 -40.503 26.247 1.00 0.00 C ATOM 852 C THR A 51 8.477 -39.652 26.598 1.00 0.00 C ATOM 853 O THR A 51 9.602 -39.970 26.200 1.00 0.00 O ATOM 854 CB THR A 51 7.013 -41.566 27.352 1.00 0.00 C ATOM 855 OG1 THR A 51 6.650 -40.931 28.586 1.00 0.00 O ATOM 856 CG2 THR A 51 8.246 -42.439 27.574 1.00 0.00 C ATOM 0 H THR A 51 7.851 -42.056 24.980 1.00 0.00 H new ATOM 0 HA THR A 51 6.372 -39.866 26.195 1.00 0.00 H new ATOM 0 HB THR A 51 6.197 -42.205 27.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.296 -40.036 28.402 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.038 -43.171 28.355 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.496 -42.957 26.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.085 -41.813 27.878 1.00 0.00 H new ATOM 864 N SER A 52 8.242 -38.555 27.311 1.00 0.00 N ATOM 865 CA SER A 52 9.305 -37.652 27.734 1.00 0.00 C ATOM 866 C SER A 52 10.335 -38.383 28.602 1.00 0.00 C ATOM 867 O SER A 52 10.108 -39.515 29.034 1.00 0.00 O ATOM 868 CB SER A 52 8.701 -36.471 28.505 1.00 0.00 C ATOM 869 OG SER A 52 9.691 -35.535 28.887 1.00 0.00 O ATOM 0 H SER A 52 7.310 -38.268 27.611 1.00 0.00 H new ATOM 0 HA SER A 52 9.818 -37.280 26.847 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.952 -35.977 27.886 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.187 -36.840 29.393 1.00 0.00 H new ATOM 0 HG SER A 52 9.271 -34.795 29.374 1.00 0.00 H new ATOM 875 N LYS A 53 11.449 -37.711 28.873 1.00 0.00 N ATOM 876 CA LYS A 53 12.567 -38.298 29.615 1.00 0.00 C ATOM 877 C LYS A 53 12.115 -38.845 30.976 1.00 0.00 C ATOM 878 O LYS A 53 12.442 -39.975 31.341 1.00 0.00 O ATOM 879 CB LYS A 53 13.671 -37.248 29.803 1.00 0.00 C ATOM 880 CG LYS A 53 14.119 -36.594 28.495 1.00 0.00 C ATOM 881 CD LYS A 53 14.825 -37.577 27.555 1.00 0.00 C ATOM 882 CE LYS A 53 16.335 -37.638 27.797 1.00 0.00 C ATOM 883 NZ LYS A 53 16.686 -38.089 29.172 1.00 0.00 N ATOM 0 H LYS A 53 11.605 -36.745 28.586 1.00 0.00 H new ATOM 0 HA LYS A 53 12.957 -39.136 29.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.314 -36.475 30.483 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.532 -37.718 30.278 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.251 -36.172 27.988 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.791 -35.765 28.719 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.399 -38.571 27.688 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.637 -37.285 26.522 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.787 -38.315 27.072 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.765 -36.652 27.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.695 -38.338 29.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.494 -37.323 29.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.115 -38.922 29.421 1.00 0.00 H new ATOM 897 N ASN A 54 11.349 -38.044 31.712 1.00 0.00 N ATOM 898 CA ASN A 54 10.868 -38.434 33.042 1.00 0.00 C ATOM 899 C ASN A 54 9.609 -39.306 32.936 1.00 0.00 C ATOM 900 O ASN A 54 9.030 -39.709 33.944 1.00 0.00 O ATOM 901 CB ASN A 54 10.593 -37.180 33.893 1.00 0.00 C ATOM 902 CG ASN A 54 10.232 -37.502 35.338 1.00 0.00 C ATOM 903 OD1 ASN A 54 8.942 -37.567 35.632 1.00 0.00 O flip ATOM 904 ND2 ASN A 54 11.108 -37.673 36.186 1.00 0.00 N flip ATOM 0 H ASN A 54 11.045 -37.118 31.412 1.00 0.00 H new ATOM 0 HA ASN A 54 11.643 -39.025 33.531 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.475 -36.539 33.880 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.780 -36.613 33.440 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.092 -37.615 35.922 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.850 -37.872 37.153 1.00 0.00 H new ATOM 911 N ALA A 55 9.194 -39.586 31.698 1.00 0.00 N ATOM 912 CA ALA A 55 8.055 -40.470 31.417 1.00 0.00 C ATOM 913 C ALA A 55 6.727 -39.910 31.946 1.00 0.00 C ATOM 914 O ALA A 55 5.707 -40.601 31.932 1.00 0.00 O ATOM 915 CB ALA A 55 8.311 -41.867 31.982 1.00 0.00 C ATOM 0 H ALA A 55 9.637 -39.207 30.861 1.00 0.00 H new ATOM 0 HA ALA A 55 7.962 -40.533 30.333 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.457 -42.509 31.765 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.207 -42.286 31.523 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.452 -41.803 33.061 1.00 0.00 H new ATOM 921 N LYS A 56 6.742 -38.657 32.395 1.00 0.00 N ATOM 922 CA LYS A 56 5.536 -38.011 32.921 1.00 0.00 C ATOM 923 C LYS A 56 4.723 -37.379 31.794 1.00 0.00 C ATOM 924 O LYS A 56 3.516 -37.173 31.918 1.00 0.00 O ATOM 925 CB LYS A 56 5.916 -36.957 33.978 1.00 0.00 C ATOM 926 CG LYS A 56 4.733 -36.158 34.537 1.00 0.00 C ATOM 927 CD LYS A 56 3.612 -37.058 35.056 1.00 0.00 C ATOM 928 CE LYS A 56 4.083 -37.998 36.160 1.00 0.00 C ATOM 929 NZ LYS A 56 2.999 -38.917 36.593 1.00 0.00 N ATOM 0 H LYS A 56 7.574 -38.067 32.406 1.00 0.00 H new ATOM 0 HA LYS A 56 4.915 -38.771 33.396 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.423 -37.456 34.804 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.631 -36.262 33.538 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.082 -35.515 35.345 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.339 -35.505 33.758 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.798 -36.439 35.433 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.210 -37.645 34.230 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.934 -38.579 35.806 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.429 -37.414 37.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.354 -39.542 37.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.197 -38.362 36.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.687 -39.491 35.784 1.00 0.00 H new ATOM 943 N PHE A 57 5.387 -37.090 30.685 1.00 0.00 N ATOM 944 CA PHE A 57 4.727 -36.487 29.534 1.00 0.00 C ATOM 945 C PHE A 57 4.708 -37.480 28.383 1.00 0.00 C ATOM 946 O PHE A 57 5.632 -38.280 28.227 1.00 0.00 O ATOM 947 CB PHE A 57 5.440 -35.194 29.122 1.00 0.00 C ATOM 948 CG PHE A 57 5.576 -34.206 30.252 1.00 0.00 C ATOM 949 CD1 PHE A 57 4.511 -33.392 30.611 1.00 0.00 C ATOM 950 CD2 PHE A 57 6.763 -34.100 30.963 1.00 0.00 C ATOM 951 CE1 PHE A 57 4.630 -32.492 31.652 1.00 0.00 C ATOM 952 CE2 PHE A 57 6.885 -33.202 32.005 1.00 0.00 C ATOM 953 CZ PHE A 57 5.817 -32.397 32.350 1.00 0.00 C ATOM 0 H PHE A 57 6.384 -37.263 30.556 1.00 0.00 H new ATOM 0 HA PHE A 57 3.701 -36.234 29.801 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.431 -35.439 28.741 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.890 -34.728 28.304 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.579 -33.463 30.070 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.601 -34.727 30.698 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.794 -31.863 31.920 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.815 -33.129 32.550 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.911 -31.694 33.165 1.00 0.00 H new ATOM 963 N TYR A 58 3.647 -37.441 27.595 1.00 0.00 N ATOM 964 CA TYR A 58 3.447 -38.396 26.514 1.00 0.00 C ATOM 965 C TYR A 58 3.137 -37.655 25.221 1.00 0.00 C ATOM 966 O TYR A 58 2.146 -36.925 25.140 1.00 0.00 O ATOM 967 CB TYR A 58 2.305 -39.358 26.877 1.00 0.00 C ATOM 968 CG TYR A 58 2.498 -40.025 28.230 1.00 0.00 C ATOM 969 CD1 TYR A 58 3.296 -41.156 28.366 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.900 -39.506 29.374 1.00 0.00 C ATOM 971 CE1 TYR A 58 3.491 -41.747 29.600 1.00 0.00 C ATOM 972 CE2 TYR A 58 2.088 -40.096 30.610 1.00 0.00 C ATOM 973 CZ TYR A 58 2.885 -41.215 30.719 1.00 0.00 C ATOM 974 OH TYR A 58 3.086 -41.798 31.952 1.00 0.00 O ATOM 0 H TYR A 58 2.902 -36.750 27.684 1.00 0.00 H new ATOM 0 HA TYR A 58 4.358 -38.977 26.369 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.363 -38.810 26.879 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.226 -40.126 26.107 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.771 -41.579 27.493 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.278 -38.627 29.295 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.116 -42.623 29.688 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.612 -39.682 31.487 1.00 0.00 H new ATOM 0 HH TYR A 58 3.976 -41.559 32.286 1.00 0.00 H new ATOM 984 N SER A 59 3.999 -37.827 24.226 1.00 0.00 N ATOM 985 CA SER A 59 3.833 -37.162 22.943 1.00 0.00 C ATOM 986 C SER A 59 2.941 -38.002 22.032 1.00 0.00 C ATOM 987 O SER A 59 3.311 -39.113 21.633 1.00 0.00 O ATOM 988 CB SER A 59 5.201 -36.927 22.288 1.00 0.00 C ATOM 989 OG SER A 59 5.084 -36.196 21.079 1.00 0.00 O ATOM 0 H SER A 59 4.823 -38.425 24.286 1.00 0.00 H new ATOM 0 HA SER A 59 3.356 -36.195 23.103 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.848 -36.386 22.979 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.679 -37.886 22.089 1.00 0.00 H new ATOM 0 HG SER A 59 5.974 -36.063 20.690 1.00 0.00 H new ATOM 995 N PHE A 60 1.761 -37.479 21.728 1.00 0.00 N ATOM 996 CA PHE A 60 0.817 -38.147 20.845 1.00 0.00 C ATOM 997 C PHE A 60 0.801 -37.469 19.487 1.00 0.00 C ATOM 998 O PHE A 60 1.177 -36.300 19.350 1.00 0.00 O ATOM 999 CB PHE A 60 -0.596 -38.137 21.444 1.00 0.00 C ATOM 1000 CG PHE A 60 -0.707 -38.887 22.744 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -0.721 -40.274 22.759 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -0.789 -38.208 23.951 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -0.817 -40.968 23.949 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -0.884 -38.899 25.142 1.00 0.00 C ATOM 1005 CZ PHE A 60 -0.898 -40.278 25.142 1.00 0.00 C ATOM 0 H PHE A 60 1.433 -36.582 22.086 1.00 0.00 H new ATOM 0 HA PHE A 60 1.137 -39.182 20.729 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.906 -37.104 21.603 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.290 -38.571 20.724 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.656 -40.818 21.828 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.778 -37.128 23.959 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.829 -42.048 23.946 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.947 -38.359 26.075 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.972 -40.818 26.075 1.00 0.00 H new ATOM 1015 N ASN A 61 0.369 -38.216 18.489 1.00 0.00 N ATOM 1016 CA ASN A 61 0.275 -37.720 17.128 1.00 0.00 C ATOM 1017 C ASN A 61 -1.175 -37.750 16.677 1.00 0.00 C ATOM 1018 O ASN A 61 -1.805 -38.812 16.675 1.00 0.00 O ATOM 1019 CB ASN A 61 1.119 -38.590 16.192 1.00 0.00 C ATOM 1020 CG ASN A 61 1.143 -38.062 14.770 1.00 0.00 C ATOM 1021 OD1 ASN A 61 2.033 -37.296 14.404 1.00 0.00 O ATOM 1022 ND2 ASN A 61 0.169 -38.461 13.966 1.00 0.00 N ATOM 0 H ASN A 61 0.073 -39.186 18.599 1.00 0.00 H new ATOM 0 HA ASN A 61 0.648 -36.696 17.096 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.139 -38.644 16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.724 -39.606 16.192 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.137 -38.132 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.549 -39.098 14.312 1.00 0.00 H new ATOM 1029 N VAL A 62 -1.697 -36.593 16.301 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.053 -36.490 15.788 1.00 0.00 C ATOM 1031 C VAL A 62 -3.017 -35.888 14.393 1.00 0.00 C ATOM 1032 O VAL A 62 -2.539 -34.774 14.201 1.00 0.00 O ATOM 1033 CB VAL A 62 -3.955 -35.627 16.707 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.351 -35.463 16.105 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.038 -36.237 18.106 1.00 0.00 C ATOM 0 H VAL A 62 -1.196 -35.705 16.342 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.479 -37.493 15.756 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.506 -34.637 16.790 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.964 -34.854 16.769 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.273 -34.975 15.133 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.812 -36.443 15.983 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.676 -35.617 18.736 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.458 -37.241 18.041 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.039 -36.289 18.540 1.00 0.00 H new ATOM 1045 N SER A 63 -3.501 -36.640 13.421 1.00 0.00 N ATOM 1046 CA SER A 63 -3.554 -36.177 12.047 1.00 0.00 C ATOM 1047 C SER A 63 -4.961 -36.361 11.502 1.00 0.00 C ATOM 1048 O SER A 63 -5.511 -37.464 11.537 1.00 0.00 O ATOM 1049 CB SER A 63 -2.529 -36.935 11.197 1.00 0.00 C ATOM 1050 OG SER A 63 -2.689 -38.336 11.328 1.00 0.00 O ATOM 0 H SER A 63 -3.866 -37.582 13.560 1.00 0.00 H new ATOM 0 HA SER A 63 -3.304 -35.117 12.009 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.639 -36.650 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.521 -36.652 11.500 1.00 0.00 H new ATOM 0 HG SER A 63 -3.186 -38.682 10.557 1.00 0.00 H new ATOM 1056 N MET A 64 -5.549 -35.275 11.023 1.00 0.00 N ATOM 1057 CA MET A 64 -6.913 -35.296 10.514 1.00 0.00 C ATOM 1058 C MET A 64 -7.050 -34.310 9.368 1.00 0.00 C ATOM 1059 O MET A 64 -6.223 -33.406 9.216 1.00 0.00 O ATOM 1060 CB MET A 64 -7.906 -34.955 11.636 1.00 0.00 C ATOM 1061 CG MET A 64 -7.772 -33.534 12.175 1.00 0.00 C ATOM 1062 SD MET A 64 -8.762 -33.255 13.655 1.00 0.00 S ATOM 1063 CE MET A 64 -10.396 -33.727 13.089 1.00 0.00 C ATOM 0 H MET A 64 -5.099 -34.361 10.976 1.00 0.00 H new ATOM 0 HA MET A 64 -7.139 -36.297 10.147 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.921 -35.097 11.264 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.766 -35.658 12.457 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.725 -33.332 12.400 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.074 -32.827 11.402 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.106 -32.934 13.325 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.376 -33.887 12.011 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.702 -34.647 13.586 1.00 0.00 H new ATOM 1073 N GLU A 65 -8.076 -34.496 8.555 1.00 0.00 N ATOM 1074 CA GLU A 65 -8.336 -33.601 7.440 1.00 0.00 C ATOM 1075 C GLU A 65 -9.016 -32.331 7.931 1.00 0.00 C ATOM 1076 O GLU A 65 -9.787 -32.361 8.887 1.00 0.00 O ATOM 1077 CB GLU A 65 -9.222 -34.285 6.394 1.00 0.00 C ATOM 1078 CG GLU A 65 -8.610 -35.543 5.791 1.00 0.00 C ATOM 1079 CD GLU A 65 -9.524 -36.208 4.777 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -9.550 -35.761 3.611 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -10.225 -37.175 5.143 1.00 0.00 O ATOM 0 H GLU A 65 -8.744 -35.261 8.647 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.381 -33.344 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.177 -34.542 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.434 -33.577 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.665 -35.289 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.382 -36.250 6.589 1.00 0.00 H new ATOM 1088 N VAL A 66 -8.705 -31.222 7.285 1.00 0.00 N ATOM 1089 CA VAL A 66 -9.400 -29.967 7.519 1.00 0.00 C ATOM 1090 C VAL A 66 -9.911 -29.434 6.186 1.00 0.00 C ATOM 1091 O VAL A 66 -9.149 -29.330 5.219 1.00 0.00 O ATOM 1092 CB VAL A 66 -8.487 -28.920 8.211 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -8.254 -29.285 9.678 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -7.149 -28.791 7.478 1.00 0.00 C ATOM 0 H VAL A 66 -7.966 -31.165 6.585 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.236 -30.151 8.194 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.996 -27.957 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.611 -28.537 10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.210 -29.317 10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.775 -30.262 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.528 -28.051 7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.639 -29.754 7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.326 -28.475 6.450 1.00 0.00 H new ATOM 1104 N SER A 67 -11.200 -29.132 6.127 1.00 0.00 N ATOM 1105 CA SER A 67 -11.831 -28.684 4.892 1.00 0.00 C ATOM 1106 C SER A 67 -11.631 -27.184 4.702 1.00 0.00 C ATOM 1107 O SER A 67 -11.601 -26.686 3.574 1.00 0.00 O ATOM 1108 CB SER A 67 -13.320 -29.049 4.908 1.00 0.00 C ATOM 1109 OG SER A 67 -13.494 -30.451 5.088 1.00 0.00 O ATOM 0 H SER A 67 -11.833 -29.189 6.925 1.00 0.00 H new ATOM 0 HA SER A 67 -11.362 -29.189 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.823 -28.509 5.710 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.786 -28.737 3.973 1.00 0.00 H new ATOM 0 HG SER A 67 -14.434 -30.686 4.939 1.00 0.00 H new ATOM 1115 N ASN A 68 -11.476 -26.473 5.810 1.00 0.00 N ATOM 1116 CA ASN A 68 -11.207 -25.040 5.779 1.00 0.00 C ATOM 1117 C ASN A 68 -10.217 -24.665 6.872 1.00 0.00 C ATOM 1118 O ASN A 68 -9.795 -25.515 7.663 1.00 0.00 O ATOM 1119 CB ASN A 68 -12.500 -24.234 5.947 1.00 0.00 C ATOM 1120 CG ASN A 68 -13.209 -24.545 7.251 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -12.920 -23.951 8.285 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -14.135 -25.482 7.207 1.00 0.00 N ATOM 0 H ASN A 68 -11.532 -26.868 6.749 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.775 -24.799 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.269 -23.169 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.169 -24.447 5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.642 -25.738 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.344 -25.951 6.326 1.00 0.00 H new ATOM 1129 N GLU A 69 -9.865 -23.390 6.919 1.00 0.00 N ATOM 1130 CA GLU A 69 -8.868 -22.896 7.864 1.00 0.00 C ATOM 1131 C GLU A 69 -9.476 -22.721 9.252 1.00 0.00 C ATOM 1132 O GLU A 69 -8.799 -22.921 10.266 1.00 0.00 O ATOM 1133 CB GLU A 69 -8.267 -21.570 7.376 1.00 0.00 C ATOM 1134 CG GLU A 69 -7.267 -20.967 8.353 1.00 0.00 C ATOM 1135 CD GLU A 69 -6.547 -19.747 7.805 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -5.490 -19.912 7.158 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -7.017 -18.617 8.041 1.00 0.00 O ATOM 0 H GLU A 69 -10.257 -22.671 6.310 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.070 -23.636 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.775 -21.733 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.072 -20.856 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.788 -20.691 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.530 -21.724 8.621 1.00 0.00 H new ATOM 1144 N SER A 70 -10.757 -22.363 9.295 1.00 0.00 N ATOM 1145 CA SER A 70 -11.451 -22.159 10.560 1.00 0.00 C ATOM 1146 C SER A 70 -11.369 -23.425 11.415 1.00 0.00 C ATOM 1147 O SER A 70 -11.199 -23.352 12.632 1.00 0.00 O ATOM 1148 CB SER A 70 -12.915 -21.776 10.304 1.00 0.00 C ATOM 1149 OG SER A 70 -13.006 -20.718 9.361 1.00 0.00 O ATOM 0 H SER A 70 -11.334 -22.209 8.468 1.00 0.00 H new ATOM 0 HA SER A 70 -10.970 -21.344 11.100 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.463 -22.644 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.385 -21.475 11.240 1.00 0.00 H new ATOM 0 HG SER A 70 -13.948 -20.492 9.212 1.00 0.00 H new ATOM 1155 N GLU A 71 -11.464 -24.585 10.761 1.00 0.00 N ATOM 1156 CA GLU A 71 -11.348 -25.871 11.447 1.00 0.00 C ATOM 1157 C GLU A 71 -9.938 -26.073 11.995 1.00 0.00 C ATOM 1158 O GLU A 71 -9.769 -26.579 13.100 1.00 0.00 O ATOM 1159 CB GLU A 71 -11.712 -27.033 10.513 1.00 0.00 C ATOM 1160 CG GLU A 71 -13.170 -27.037 10.072 1.00 0.00 C ATOM 1161 CD GLU A 71 -13.520 -28.257 9.237 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -13.055 -28.343 8.084 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -14.252 -29.144 9.738 1.00 0.00 O ATOM 0 H GLU A 71 -11.621 -24.659 9.756 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.051 -25.859 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.075 -26.989 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.493 -27.974 11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.813 -27.006 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.375 -26.135 9.496 1.00 0.00 H new ATOM 1170 N ARG A 72 -8.929 -25.664 11.226 1.00 0.00 N ATOM 1171 CA ARG A 72 -7.532 -25.831 11.634 1.00 0.00 C ATOM 1172 C ARG A 72 -7.301 -25.203 13.008 1.00 0.00 C ATOM 1173 O ARG A 72 -6.748 -25.833 13.914 1.00 0.00 O ATOM 1174 CB ARG A 72 -6.590 -25.183 10.611 1.00 0.00 C ATOM 1175 CG ARG A 72 -5.107 -25.433 10.891 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.216 -24.476 10.109 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.352 -23.097 10.587 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.407 -22.023 9.799 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -4.369 -22.149 8.475 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.525 -20.818 10.345 1.00 0.00 N ATOM 0 H ARG A 72 -9.051 -25.215 10.318 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.320 -26.899 11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.831 -25.562 9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.771 -24.108 10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.914 -25.320 11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.855 -26.461 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.176 -24.791 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.473 -24.522 9.051 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.409 -22.948 11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.297 -23.075 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.412 -21.320 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.573 -20.720 11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.568 -19.991 9.750 1.00 0.00 H new ATOM 1194 N ASN A 73 -7.735 -23.955 13.143 1.00 0.00 N ATOM 1195 CA ASN A 73 -7.625 -23.217 14.400 1.00 0.00 C ATOM 1196 C ASN A 73 -8.586 -23.793 15.437 1.00 0.00 C ATOM 1197 O ASN A 73 -8.224 -23.993 16.596 1.00 0.00 O ATOM 1198 CB ASN A 73 -7.937 -21.728 14.165 1.00 0.00 C ATOM 1199 CG ASN A 73 -6.862 -21.006 13.362 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -6.102 -21.619 12.609 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -6.819 -19.689 13.491 1.00 0.00 N ATOM 0 H ASN A 73 -8.172 -23.426 12.388 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.606 -23.313 14.774 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.890 -21.642 13.643 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.055 -21.232 15.129 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.140 -19.146 12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.465 -19.217 14.124 1.00 0.00 H new ATOM 1208 N GLU A 74 -9.810 -24.068 14.989 1.00 0.00 N ATOM 1209 CA GLU A 74 -10.876 -24.596 15.844 1.00 0.00 C ATOM 1210 C GLU A 74 -10.408 -25.822 16.628 1.00 0.00 C ATOM 1211 O GLU A 74 -10.419 -25.833 17.863 1.00 0.00 O ATOM 1212 CB GLU A 74 -12.083 -24.965 14.967 1.00 0.00 C ATOM 1213 CG GLU A 74 -13.263 -25.567 15.720 1.00 0.00 C ATOM 1214 CD GLU A 74 -13.980 -24.574 16.625 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -13.670 -23.361 16.579 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -14.863 -25.006 17.395 1.00 0.00 O ATOM 0 H GLU A 74 -10.093 -23.931 14.019 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.156 -23.829 16.566 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.422 -24.070 14.446 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.757 -25.673 14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.975 -25.969 15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.910 -26.405 16.322 1.00 0.00 H new ATOM 1223 N ILE A 75 -9.995 -26.842 15.891 1.00 0.00 N ATOM 1224 CA ILE A 75 -9.574 -28.116 16.465 1.00 0.00 C ATOM 1225 C ILE A 75 -8.378 -27.922 17.392 1.00 0.00 C ATOM 1226 O ILE A 75 -8.297 -28.538 18.455 1.00 0.00 O ATOM 1227 CB ILE A 75 -9.223 -29.118 15.336 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -10.433 -29.276 14.396 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -8.801 -30.470 15.916 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -10.146 -30.055 13.132 1.00 0.00 C ATOM 0 H ILE A 75 -9.941 -26.811 14.873 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.399 -28.520 17.052 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.379 -28.729 14.766 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.237 -29.772 14.939 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.797 -28.286 14.123 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.560 -31.155 15.103 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.924 -30.336 16.550 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.618 -30.883 16.508 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.052 -30.118 12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.366 -29.550 12.563 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.813 -31.060 13.392 1.00 0.00 H new ATOM 1242 N PHE A 76 -7.473 -27.034 16.994 1.00 0.00 N ATOM 1243 CA PHE A 76 -6.277 -26.733 17.782 1.00 0.00 C ATOM 1244 C PHE A 76 -6.664 -26.241 19.177 1.00 0.00 C ATOM 1245 O PHE A 76 -6.099 -26.678 20.185 1.00 0.00 O ATOM 1246 CB PHE A 76 -5.420 -25.681 17.059 1.00 0.00 C ATOM 1247 CG PHE A 76 -4.203 -25.238 17.839 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -3.094 -26.066 17.949 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -4.171 -23.997 18.461 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -1.982 -25.665 18.664 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -3.060 -23.593 19.175 1.00 0.00 C ATOM 1252 CZ PHE A 76 -1.965 -24.428 19.276 1.00 0.00 C ATOM 0 H PHE A 76 -7.544 -26.505 16.125 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.692 -27.646 17.892 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.097 -26.087 16.101 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.038 -24.809 16.844 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.101 -27.034 17.470 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.025 -23.340 18.386 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.126 -26.319 18.744 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.048 -22.625 19.654 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.095 -24.113 19.834 1.00 0.00 H new ATOM 1262 N GLN A 77 -7.640 -25.338 19.222 1.00 0.00 N ATOM 1263 CA GLN A 77 -8.130 -24.790 20.483 1.00 0.00 C ATOM 1264 C GLN A 77 -8.762 -25.895 21.329 1.00 0.00 C ATOM 1265 O GLN A 77 -8.510 -25.999 22.531 1.00 0.00 O ATOM 1266 CB GLN A 77 -9.159 -23.683 20.216 1.00 0.00 C ATOM 1267 CG GLN A 77 -8.641 -22.551 19.333 1.00 0.00 C ATOM 1268 CD GLN A 77 -9.709 -21.516 19.015 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -10.446 -21.646 18.034 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -9.806 -20.485 19.840 1.00 0.00 N ATOM 0 H GLN A 77 -8.109 -24.969 18.395 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.287 -24.365 21.029 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.037 -24.124 19.745 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.484 -23.266 21.169 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.804 -22.062 19.831 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.258 -22.969 18.402 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.179 -20.412 20.641 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.508 -19.764 19.675 1.00 0.00 H new ATOM 1279 N LYS A 78 -9.569 -26.725 20.675 1.00 0.00 N ATOM 1280 CA LYS A 78 -10.271 -27.822 21.338 1.00 0.00 C ATOM 1281 C LYS A 78 -9.288 -28.803 21.976 1.00 0.00 C ATOM 1282 O LYS A 78 -9.479 -29.239 23.114 1.00 0.00 O ATOM 1283 CB LYS A 78 -11.159 -28.553 20.322 1.00 0.00 C ATOM 1284 CG LYS A 78 -12.308 -27.707 19.780 1.00 0.00 C ATOM 1285 CD LYS A 78 -13.380 -27.471 20.841 1.00 0.00 C ATOM 1286 CE LYS A 78 -14.554 -26.666 20.299 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.152 -25.289 19.903 1.00 0.00 N ATOM 0 H LYS A 78 -9.755 -26.658 19.674 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.890 -27.404 22.132 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.541 -28.885 19.488 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.570 -29.447 20.791 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.922 -26.749 19.432 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.752 -28.204 18.918 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.740 -28.431 21.212 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.941 -26.945 21.689 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.979 -27.181 19.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.336 -26.611 21.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.680 -24.596 20.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.132 -25.165 20.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.362 -25.142 18.895 1.00 0.00 H new ATOM 1301 N ILE A 79 -8.233 -29.135 21.240 1.00 0.00 N ATOM 1302 CA ILE A 79 -7.220 -30.082 21.707 1.00 0.00 C ATOM 1303 C ILE A 79 -6.575 -29.607 23.011 1.00 0.00 C ATOM 1304 O ILE A 79 -6.156 -30.413 23.841 1.00 0.00 O ATOM 1305 CB ILE A 79 -6.126 -30.304 20.627 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -6.726 -31.003 19.395 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.954 -31.109 21.188 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -5.734 -31.232 18.271 1.00 0.00 C ATOM 0 H ILE A 79 -8.054 -28.760 20.309 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.724 -31.030 21.896 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.745 -29.329 20.323 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.141 -31.963 19.701 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.555 -30.404 19.018 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.203 -31.249 20.410 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.512 -30.571 22.027 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.310 -32.081 21.528 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.234 -31.729 17.440 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.337 -30.274 17.935 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.917 -31.858 18.629 1.00 0.00 H new ATOM 1320 N SER A 80 -6.512 -28.297 23.197 1.00 0.00 N ATOM 1321 CA SER A 80 -5.863 -27.717 24.368 1.00 0.00 C ATOM 1322 C SER A 80 -6.826 -27.636 25.561 1.00 0.00 C ATOM 1323 O SER A 80 -6.488 -27.062 26.598 1.00 0.00 O ATOM 1324 CB SER A 80 -5.319 -26.324 24.016 1.00 0.00 C ATOM 1325 OG SER A 80 -4.536 -25.776 25.070 1.00 0.00 O ATOM 0 H SER A 80 -6.903 -27.612 22.551 1.00 0.00 H new ATOM 0 HA SER A 80 -5.036 -28.364 24.661 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.715 -26.389 23.111 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.151 -25.655 23.796 1.00 0.00 H new ATOM 0 HG SER A 80 -4.873 -26.101 25.931 1.00 0.00 H new ATOM 1331 N GLN A 81 -8.017 -28.224 25.424 1.00 0.00 N ATOM 1332 CA GLN A 81 -9.034 -28.151 26.480 1.00 0.00 C ATOM 1333 C GLN A 81 -9.140 -29.456 27.272 1.00 0.00 C ATOM 1334 O GLN A 81 -10.032 -29.601 28.109 1.00 0.00 O ATOM 1335 CB GLN A 81 -10.408 -27.809 25.885 1.00 0.00 C ATOM 1336 CG GLN A 81 -10.440 -26.498 25.105 1.00 0.00 C ATOM 1337 CD GLN A 81 -11.846 -26.088 24.690 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -12.730 -27.061 24.501 1.00 0.00 O flip ATOM 1339 NE2 GLN A 81 -12.137 -24.901 24.549 1.00 0.00 N flip ATOM 0 H GLN A 81 -8.301 -28.753 24.599 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.720 -27.362 27.164 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.718 -28.619 25.225 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.139 -27.757 26.692 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.002 -25.708 25.715 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.818 -26.596 24.215 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.431 -24.181 24.703 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.084 -24.637 24.278 1.00 0.00 H new ATOM 1348 N LEU A 82 -8.235 -30.403 27.029 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.292 -31.697 27.721 1.00 0.00 C ATOM 1350 C LEU A 82 -7.886 -31.541 29.180 1.00 0.00 C ATOM 1351 O LEU A 82 -8.192 -32.404 30.006 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.375 -32.744 27.059 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.227 -32.621 25.537 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.256 -33.667 24.995 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.584 -32.728 24.852 1.00 0.00 C ATOM 0 H LEU A 82 -7.463 -30.305 26.369 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.323 -32.045 27.655 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.385 -32.672 27.510 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.760 -33.737 27.290 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.814 -31.637 25.316 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.169 -33.558 23.914 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.277 -33.527 25.453 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.627 -34.664 25.230 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.455 -32.638 23.773 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.034 -33.693 25.085 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.235 -31.929 25.207 1.00 0.00 H new ATOM 1367 N ASP A 83 -7.173 -30.445 29.471 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.565 -30.200 30.789 1.00 0.00 C ATOM 1369 C ASP A 83 -5.349 -31.107 30.991 1.00 0.00 C ATOM 1370 O ASP A 83 -4.306 -30.676 31.477 1.00 0.00 O ATOM 1371 CB ASP A 83 -7.578 -30.403 31.930 1.00 0.00 C ATOM 1372 CG ASP A 83 -6.973 -30.143 33.303 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -6.987 -28.976 33.751 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -6.489 -31.103 33.943 1.00 0.00 O ATOM 0 H ASP A 83 -7.000 -29.699 28.797 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.242 -29.159 30.815 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.428 -29.737 31.779 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.962 -31.423 31.893 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.505 -32.367 30.599 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.437 -33.358 30.652 1.00 0.00 C ATOM 1381 C LYS A 84 -3.282 -32.960 29.735 1.00 0.00 C ATOM 1382 O LYS A 84 -2.136 -33.365 29.943 1.00 0.00 O ATOM 1383 CB LYS A 84 -4.995 -34.713 30.210 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.223 -35.161 30.996 1.00 0.00 C ATOM 1385 CD LYS A 84 -6.891 -36.368 30.347 1.00 0.00 C ATOM 1386 CE LYS A 84 -7.978 -36.964 31.236 1.00 0.00 C ATOM 1387 NZ LYS A 84 -8.482 -38.259 30.705 1.00 0.00 N ATOM 0 H LYS A 84 -6.384 -32.732 30.232 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.061 -33.419 31.673 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.252 -34.662 29.152 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.215 -35.467 30.313 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.932 -35.410 32.017 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.936 -34.339 31.059 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.325 -36.073 29.392 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.139 -37.128 30.134 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.584 -37.113 32.241 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.805 -36.259 31.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.460 -38.140 30.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.881 -38.568 29.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.458 -38.976 31.458 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.604 -32.182 28.709 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.617 -31.745 27.732 1.00 0.00 C ATOM 1403 C VAL A 85 -1.858 -30.524 28.252 1.00 0.00 C ATOM 1404 O VAL A 85 -2.462 -29.540 28.682 1.00 0.00 O ATOM 1405 CB VAL A 85 -3.279 -31.423 26.367 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -4.313 -30.305 26.503 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -2.223 -31.073 25.321 1.00 0.00 C ATOM 0 H VAL A 85 -4.548 -31.839 28.532 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.912 -32.563 27.580 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.804 -32.317 26.030 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.760 -30.102 25.530 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.091 -30.612 27.202 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.827 -29.403 26.874 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.711 -30.851 24.372 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.658 -30.201 25.652 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.545 -31.917 25.192 1.00 0.00 H new ATOM 1417 N VAL A 86 -0.533 -30.602 28.229 1.00 0.00 N ATOM 1418 CA VAL A 86 0.312 -29.529 28.743 1.00 0.00 C ATOM 1419 C VAL A 86 0.918 -28.705 27.612 1.00 0.00 C ATOM 1420 O VAL A 86 1.410 -27.595 27.838 1.00 0.00 O ATOM 1421 CB VAL A 86 1.444 -30.086 29.639 1.00 0.00 C ATOM 1422 CG1 VAL A 86 0.864 -30.777 30.872 1.00 0.00 C ATOM 1423 CG2 VAL A 86 2.343 -31.040 28.850 1.00 0.00 C ATOM 0 H VAL A 86 -0.018 -31.401 27.858 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.329 -28.883 29.343 1.00 0.00 H new ATOM 0 HB VAL A 86 2.056 -29.249 29.975 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.676 -31.162 31.489 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.278 -30.061 31.448 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.224 -31.602 30.559 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.131 -31.419 29.501 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.749 -31.874 28.476 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.790 -30.508 28.010 1.00 0.00 H new ATOM 1433 N GLN A 87 0.886 -29.244 26.397 1.00 0.00 N ATOM 1434 CA GLN A 87 1.444 -28.549 25.246 1.00 0.00 C ATOM 1435 C GLN A 87 0.763 -28.995 23.956 1.00 0.00 C ATOM 1436 O GLN A 87 0.535 -30.188 23.739 1.00 0.00 O ATOM 1437 CB GLN A 87 2.957 -28.788 25.163 1.00 0.00 C ATOM 1438 CG GLN A 87 3.650 -27.938 24.105 1.00 0.00 C ATOM 1439 CD GLN A 87 3.420 -26.451 24.318 1.00 0.00 C ATOM 1440 OE1 GLN A 87 2.459 -25.877 23.798 1.00 0.00 O ATOM 1441 NE2 GLN A 87 4.289 -25.821 25.091 1.00 0.00 N ATOM 0 H GLN A 87 0.481 -30.156 26.186 1.00 0.00 H new ATOM 0 HA GLN A 87 1.263 -27.481 25.372 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.404 -28.579 26.135 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.139 -29.841 24.948 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.720 -28.144 24.121 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.285 -28.222 23.118 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.070 -26.332 25.502 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.178 -24.824 25.276 1.00 0.00 H new ATOM 1450 N THR A 88 0.439 -28.022 23.108 1.00 0.00 N ATOM 1451 CA THR A 88 -0.213 -28.276 21.828 1.00 0.00 C ATOM 1452 C THR A 88 0.501 -27.522 20.709 1.00 0.00 C ATOM 1453 O THR A 88 0.467 -26.288 20.663 1.00 0.00 O ATOM 1454 CB THR A 88 -1.698 -27.841 21.862 1.00 0.00 C ATOM 1455 OG1 THR A 88 -1.801 -26.501 22.365 1.00 0.00 O ATOM 1456 CG2 THR A 88 -2.537 -28.777 22.728 1.00 0.00 C ATOM 0 H THR A 88 0.622 -27.035 23.290 1.00 0.00 H new ATOM 0 HA THR A 88 -0.162 -29.348 21.640 1.00 0.00 H new ATOM 0 HB THR A 88 -2.082 -27.886 20.843 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.032 -25.977 22.059 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.574 -28.441 22.728 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.484 -29.789 22.327 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.153 -28.771 23.748 1.00 0.00 H new ATOM 1464 N LEU A 89 1.162 -28.259 19.824 1.00 0.00 N ATOM 1465 CA LEU A 89 1.817 -27.661 18.665 1.00 0.00 C ATOM 1466 C LEU A 89 0.977 -27.923 17.420 1.00 0.00 C ATOM 1467 O LEU A 89 0.796 -29.071 17.014 1.00 0.00 O ATOM 1468 CB LEU A 89 3.239 -28.221 18.462 1.00 0.00 C ATOM 1469 CG LEU A 89 4.224 -28.040 19.634 1.00 0.00 C ATOM 1470 CD1 LEU A 89 4.218 -26.599 20.142 1.00 0.00 C ATOM 1471 CD2 LEU A 89 3.926 -29.027 20.763 1.00 0.00 C ATOM 0 H LEU A 89 1.259 -29.272 19.886 1.00 0.00 H new ATOM 0 HA LEU A 89 1.905 -26.589 18.840 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.158 -29.286 18.246 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.669 -27.748 17.579 1.00 0.00 H new ATOM 0 HG LEU A 89 5.226 -28.255 19.263 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.922 -26.502 20.968 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.511 -25.927 19.335 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.217 -26.339 20.486 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.637 -28.876 21.576 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.913 -28.863 21.131 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.015 -30.047 20.388 1.00 0.00 H new