USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 37 GLN : amide:sc= -0.455 K(o=-0.23,f=-3.8!) USER MOD Set 1.2: A 51 TYR OH : rot -29:sc= 0.229 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.448 K(o=-0.51,f=0.15) USER MOD Set 2.2: A 31 LYS NZ :NH3+ 150:sc= -0.0641 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0329) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.787 USER MOD Single : A 25 ASN : amide:sc= -0.975 K(o=-0.97,f=-0.17) USER MOD Single : A 38 GLN : amide:sc= -2.05 X(o=-2.1,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= -0.194 (180deg=-1.73!) USER MOD Single : A 41 HIS : no HD1:sc= -0.885 K(o=-0.88,f=-0.063) USER MOD Single : A 47 SER OG : rot -150:sc= -0.0958 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.98 K(o=-2,f=-1.3) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 141:sc= -0.801 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.77! C(o=-2.8!,f=-11!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc=-0.00644 (180deg=-0.135) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.394 -12.983 -9.747 1.00 72.55 N ATOM 239 CA LEU A 16 -21.455 -12.927 -10.748 1.00 23.43 C ATOM 240 C LEU A 16 -22.677 -12.195 -10.205 1.00 13.34 C ATOM 241 O LEU A 16 -23.277 -11.370 -10.894 1.00 13.42 O ATOM 242 CB LEU A 16 -21.845 -14.340 -11.185 1.00 72.23 C ATOM 243 CG LEU A 16 -21.454 -14.734 -12.610 1.00 43.10 C ATOM 244 CD1 LEU A 16 -19.953 -14.589 -12.811 1.00 12.33 C ATOM 245 CD2 LEU A 16 -21.899 -16.158 -12.911 1.00 43.43 C ATOM 0 HA LEU A 16 -21.079 -12.377 -11.611 1.00 23.43 H new ATOM 0 HB2 LEU A 16 -21.390 -15.051 -10.495 1.00 72.23 H new ATOM 0 HB3 LEU A 16 -22.925 -14.445 -11.084 1.00 72.23 H new ATOM 0 HG LEU A 16 -21.960 -14.062 -13.304 1.00 43.10 H new ATOM 0 HD11 LEU A 16 -19.693 -14.874 -13.831 1.00 12.33 H new ATOM 0 HD12 LEU A 16 -19.661 -13.553 -12.638 1.00 12.33 H new ATOM 0 HD13 LEU A 16 -19.428 -15.236 -12.109 1.00 12.33 H new ATOM 0 HD21 LEU A 16 -21.612 -16.421 -13.929 1.00 43.43 H new ATOM 0 HD22 LEU A 16 -21.422 -16.844 -12.211 1.00 43.43 H new ATOM 0 HD23 LEU A 16 -22.982 -16.230 -12.809 1.00 43.43 H new ATOM 257 N LYS A 17 -23.041 -12.500 -8.964 1.00 23.14 N ATOM 258 CA LYS A 17 -24.190 -11.869 -8.325 1.00 5.10 C ATOM 259 C LYS A 17 -24.061 -10.349 -8.353 1.00 24.32 C ATOM 260 O LYS A 17 -25.055 -9.633 -8.472 1.00 32.41 O ATOM 261 CB LYS A 17 -24.326 -12.353 -6.880 1.00 24.52 C ATOM 262 CG LYS A 17 -25.213 -13.577 -6.729 1.00 55.34 C ATOM 263 CD LYS A 17 -26.685 -13.198 -6.708 1.00 60.43 C ATOM 264 CE LYS A 17 -27.544 -14.333 -6.171 1.00 54.35 C ATOM 265 NZ LYS A 17 -27.438 -14.457 -4.691 1.00 44.23 N ATOM 0 H LYS A 17 -22.556 -13.181 -8.380 1.00 23.14 H new ATOM 0 HA LYS A 17 -25.084 -12.151 -8.882 1.00 5.10 H new ATOM 0 HB2 LYS A 17 -23.335 -12.582 -6.488 1.00 24.52 H new ATOM 0 HB3 LYS A 17 -24.731 -11.544 -6.271 1.00 24.52 H new ATOM 0 HG2 LYS A 17 -25.026 -14.267 -7.551 1.00 55.34 H new ATOM 0 HG3 LYS A 17 -24.958 -14.101 -5.808 1.00 55.34 H new ATOM 0 HD2 LYS A 17 -26.825 -12.311 -6.091 1.00 60.43 H new ATOM 0 HD3 LYS A 17 -27.010 -12.939 -7.716 1.00 60.43 H new ATOM 0 HE2 LYS A 17 -28.585 -14.163 -6.447 1.00 54.35 H new ATOM 0 HE3 LYS A 17 -27.240 -15.270 -6.637 1.00 54.35 H new ATOM 0 HZ1 LYS A 17 -28.148 -15.135 -4.348 1.00 44.23 H new ATOM 0 HZ2 LYS A 17 -26.487 -14.793 -4.438 1.00 44.23 H new ATOM 0 HZ3 LYS A 17 -27.605 -13.529 -4.252 1.00 44.23 H new ATOM 279 N LYS A 18 -22.829 -9.862 -8.243 1.00 71.55 N ATOM 280 CA LYS A 18 -22.569 -8.428 -8.259 1.00 2.12 C ATOM 281 C LYS A 18 -22.580 -7.888 -9.685 1.00 72.14 C ATOM 282 O LYS A 18 -23.006 -6.758 -9.929 1.00 74.43 O ATOM 283 CB LYS A 18 -21.222 -8.126 -7.599 1.00 25.12 C ATOM 284 CG LYS A 18 -21.168 -8.498 -6.127 1.00 73.32 C ATOM 285 CD LYS A 18 -19.850 -8.084 -5.495 1.00 31.44 C ATOM 286 CE LYS A 18 -18.719 -9.015 -5.904 1.00 20.32 C ATOM 287 NZ LYS A 18 -17.395 -8.518 -5.437 1.00 51.14 N ATOM 0 H LYS A 18 -21.995 -10.440 -8.142 1.00 71.55 H new ATOM 0 HA LYS A 18 -23.362 -7.935 -7.697 1.00 2.12 H new ATOM 0 HB2 LYS A 18 -20.438 -8.665 -8.130 1.00 25.12 H new ATOM 0 HB3 LYS A 18 -21.006 -7.063 -7.705 1.00 25.12 H new ATOM 0 HG2 LYS A 18 -21.992 -8.018 -5.599 1.00 73.32 H new ATOM 0 HG3 LYS A 18 -21.303 -9.574 -6.018 1.00 73.32 H new ATOM 0 HD2 LYS A 18 -19.608 -7.063 -5.792 1.00 31.44 H new ATOM 0 HD3 LYS A 18 -19.949 -8.086 -4.410 1.00 31.44 H new ATOM 0 HE2 LYS A 18 -18.900 -10.008 -5.493 1.00 20.32 H new ATOM 0 HE3 LYS A 18 -18.707 -9.117 -6.989 1.00 20.32 H new ATOM 0 HZ1 LYS A 18 -16.651 -9.180 -5.736 1.00 51.14 H new ATOM 0 HZ2 LYS A 18 -17.211 -7.581 -5.849 1.00 51.14 H new ATOM 0 HZ3 LYS A 18 -17.398 -8.445 -4.400 1.00 51.14 H new ATOM 301 N LEU A 19 -22.111 -8.702 -10.625 1.00 11.03 N ATOM 302 CA LEU A 19 -22.069 -8.307 -12.028 1.00 42.53 C ATOM 303 C LEU A 19 -23.464 -7.961 -12.539 1.00 21.00 C ATOM 304 O LEU A 19 -23.689 -6.877 -13.077 1.00 2.44 O ATOM 305 CB LEU A 19 -21.466 -9.428 -12.876 1.00 41.35 C ATOM 306 CG LEU A 19 -19.976 -9.302 -13.195 1.00 4.55 C ATOM 307 CD1 LEU A 19 -19.415 -10.635 -13.665 1.00 15.20 C ATOM 308 CD2 LEU A 19 -19.744 -8.224 -14.243 1.00 45.43 C ATOM 0 H LEU A 19 -21.755 -9.640 -10.440 1.00 11.03 H new ATOM 0 HA LEU A 19 -21.442 -7.419 -12.111 1.00 42.53 H new ATOM 0 HB2 LEU A 19 -21.628 -10.374 -12.359 1.00 41.35 H new ATOM 0 HB3 LEU A 19 -22.015 -9.480 -13.816 1.00 41.35 H new ATOM 0 HG LEU A 19 -19.453 -9.013 -12.284 1.00 4.55 H new ATOM 0 HD11 LEU A 19 -18.354 -10.525 -13.887 1.00 15.20 H new ATOM 0 HD12 LEU A 19 -19.546 -11.382 -12.882 1.00 15.20 H new ATOM 0 HD13 LEU A 19 -19.942 -10.955 -14.564 1.00 15.20 H new ATOM 0 HD21 LEU A 19 -18.678 -8.148 -14.457 1.00 45.43 H new ATOM 0 HD22 LEU A 19 -20.280 -8.483 -15.156 1.00 45.43 H new ATOM 0 HD23 LEU A 19 -20.107 -7.267 -13.868 1.00 45.43 H new ATOM 320 N VAL A 20 -24.399 -8.890 -12.365 1.00 41.23 N ATOM 321 CA VAL A 20 -25.773 -8.683 -12.805 1.00 54.44 C ATOM 322 C VAL A 20 -26.381 -7.448 -12.148 1.00 64.13 C ATOM 323 O VAL A 20 -27.272 -6.810 -12.708 1.00 14.23 O ATOM 324 CB VAL A 20 -26.655 -9.905 -12.488 1.00 63.32 C ATOM 325 CG1 VAL A 20 -26.882 -10.025 -10.989 1.00 74.31 C ATOM 326 CG2 VAL A 20 -27.979 -9.814 -13.231 1.00 61.34 C ATOM 0 H VAL A 20 -24.229 -9.793 -11.922 1.00 41.23 H new ATOM 0 HA VAL A 20 -25.740 -8.538 -13.885 1.00 54.44 H new ATOM 0 HB VAL A 20 -26.137 -10.803 -12.826 1.00 63.32 H new ATOM 0 HG11 VAL A 20 -27.507 -10.894 -10.784 1.00 74.31 H new ATOM 0 HG12 VAL A 20 -25.923 -10.141 -10.484 1.00 74.31 H new ATOM 0 HG13 VAL A 20 -27.379 -9.126 -10.623 1.00 74.31 H new ATOM 0 HG21 VAL A 20 -28.589 -10.686 -12.995 1.00 61.34 H new ATOM 0 HG22 VAL A 20 -28.506 -8.909 -12.927 1.00 61.34 H new ATOM 0 HG23 VAL A 20 -27.792 -9.782 -14.304 1.00 61.34 H new ATOM 336 N ASP A 21 -25.891 -7.117 -10.958 1.00 74.15 N ATOM 337 CA ASP A 21 -26.385 -5.957 -10.225 1.00 25.33 C ATOM 338 C ASP A 21 -25.756 -4.672 -10.754 1.00 53.02 C ATOM 339 O ASP A 21 -26.422 -3.642 -10.863 1.00 4.30 O ATOM 340 CB ASP A 21 -26.088 -6.108 -8.732 1.00 4.41 C ATOM 341 CG ASP A 21 -26.972 -5.225 -7.874 1.00 12.51 C ATOM 342 OD1 ASP A 21 -27.041 -4.009 -8.149 1.00 54.41 O ATOM 343 OD2 ASP A 21 -27.595 -5.749 -6.927 1.00 22.23 O ATOM 0 H ASP A 21 -25.153 -7.635 -10.481 1.00 74.15 H new ATOM 0 HA ASP A 21 -27.464 -5.898 -10.369 1.00 25.33 H new ATOM 0 HB2 ASP A 21 -26.227 -7.149 -8.440 1.00 4.41 H new ATOM 0 HB3 ASP A 21 -25.043 -5.861 -8.546 1.00 4.41 H new ATOM 348 N LYS A 22 -24.470 -4.739 -11.081 1.00 72.23 N ATOM 349 CA LYS A 22 -23.751 -3.582 -11.600 1.00 4.14 C ATOM 350 C LYS A 22 -23.955 -3.443 -13.105 1.00 31.32 C ATOM 351 O LYS A 22 -23.386 -2.554 -13.739 1.00 74.30 O ATOM 352 CB LYS A 22 -22.257 -3.701 -11.286 1.00 35.51 C ATOM 353 CG LYS A 22 -21.947 -3.714 -9.799 1.00 74.11 C ATOM 354 CD LYS A 22 -22.506 -2.485 -9.102 1.00 54.14 C ATOM 355 CE LYS A 22 -21.648 -2.079 -7.914 1.00 34.42 C ATOM 356 NZ LYS A 22 -20.801 -0.894 -8.220 1.00 64.14 N ATOM 0 H LYS A 22 -23.904 -5.583 -10.996 1.00 72.23 H new ATOM 0 HA LYS A 22 -24.149 -2.691 -11.114 1.00 4.14 H new ATOM 0 HB2 LYS A 22 -21.871 -4.615 -11.737 1.00 35.51 H new ATOM 0 HB3 LYS A 22 -21.729 -2.869 -11.751 1.00 35.51 H new ATOM 0 HG2 LYS A 22 -22.367 -4.612 -9.347 1.00 74.11 H new ATOM 0 HG3 LYS A 22 -20.868 -3.758 -9.652 1.00 74.11 H new ATOM 0 HD2 LYS A 22 -22.563 -1.658 -9.810 1.00 54.14 H new ATOM 0 HD3 LYS A 22 -23.523 -2.687 -8.765 1.00 54.14 H new ATOM 0 HE2 LYS A 22 -22.290 -1.856 -7.062 1.00 34.42 H new ATOM 0 HE3 LYS A 22 -21.012 -2.915 -7.623 1.00 34.42 H new ATOM 0 HZ1 LYS A 22 -20.232 -0.649 -7.385 1.00 64.14 H new ATOM 0 HZ2 LYS A 22 -20.170 -1.115 -9.017 1.00 64.14 H new ATOM 0 HZ3 LYS A 22 -21.409 -0.089 -8.473 1.00 64.14 H new ATOM 370 N TYR A 23 -24.771 -4.326 -13.670 1.00 22.20 N ATOM 371 CA TYR A 23 -25.049 -4.303 -15.101 1.00 15.40 C ATOM 372 C TYR A 23 -25.546 -2.927 -15.537 1.00 30.43 C ATOM 373 O TYR A 23 -25.113 -2.393 -16.558 1.00 23.42 O ATOM 374 CB TYR A 23 -26.087 -5.368 -15.457 1.00 72.34 C ATOM 375 CG TYR A 23 -26.286 -5.546 -16.946 1.00 12.22 C ATOM 376 CD1 TYR A 23 -27.001 -4.613 -17.687 1.00 1.41 C ATOM 377 CD2 TYR A 23 -25.761 -6.647 -17.611 1.00 2.43 C ATOM 378 CE1 TYR A 23 -27.186 -4.771 -19.047 1.00 10.22 C ATOM 379 CE2 TYR A 23 -25.940 -6.812 -18.970 1.00 64.24 C ATOM 380 CZ TYR A 23 -26.653 -5.872 -19.684 1.00 10.20 C ATOM 381 OH TYR A 23 -26.835 -6.034 -21.038 1.00 44.14 O ATOM 0 H TYR A 23 -25.251 -5.066 -13.159 1.00 22.20 H new ATOM 0 HA TYR A 23 -24.120 -4.519 -15.630 1.00 15.40 H new ATOM 0 HB2 TYR A 23 -25.782 -6.320 -15.023 1.00 72.34 H new ATOM 0 HB3 TYR A 23 -27.040 -5.101 -15.001 1.00 72.34 H new ATOM 0 HD1 TYR A 23 -27.419 -3.749 -17.191 1.00 1.41 H new ATOM 0 HD2 TYR A 23 -25.203 -7.386 -17.055 1.00 2.43 H new ATOM 0 HE1 TYR A 23 -27.745 -4.037 -19.608 1.00 10.22 H new ATOM 0 HE2 TYR A 23 -25.524 -7.673 -19.472 1.00 64.24 H new ATOM 0 HH TYR A 23 -26.396 -6.860 -21.331 1.00 44.14 H new ATOM 391 N ARG A 24 -26.458 -2.359 -14.754 1.00 23.51 N ATOM 392 CA ARG A 24 -27.015 -1.047 -15.058 1.00 4.22 C ATOM 393 C ARG A 24 -26.211 0.056 -14.375 1.00 43.14 C ATOM 394 O ARG A 24 -26.648 1.204 -14.306 1.00 21.22 O ATOM 395 CB ARG A 24 -28.477 -0.975 -14.615 1.00 52.11 C ATOM 396 CG ARG A 24 -29.308 -2.166 -15.063 1.00 33.23 C ATOM 397 CD ARG A 24 -29.435 -3.203 -13.958 1.00 33.41 C ATOM 398 NE ARG A 24 -30.706 -3.093 -13.247 1.00 1.55 N ATOM 399 CZ ARG A 24 -31.020 -3.826 -12.185 1.00 30.14 C ATOM 400 NH1 ARG A 24 -30.160 -4.719 -11.713 1.00 52.43 N ATOM 401 NH2 ARG A 24 -32.196 -3.667 -11.591 1.00 73.34 N ATOM 0 H ARG A 24 -26.826 -2.787 -13.905 1.00 23.51 H new ATOM 0 HA ARG A 24 -26.961 -0.898 -16.136 1.00 4.22 H new ATOM 0 HB2 ARG A 24 -28.515 -0.904 -13.528 1.00 52.11 H new ATOM 0 HB3 ARG A 24 -28.923 -0.062 -15.010 1.00 52.11 H new ATOM 0 HG2 ARG A 24 -30.300 -1.827 -15.362 1.00 33.23 H new ATOM 0 HG3 ARG A 24 -28.849 -2.622 -15.940 1.00 33.23 H new ATOM 0 HD2 ARG A 24 -29.344 -4.201 -14.386 1.00 33.41 H new ATOM 0 HD3 ARG A 24 -28.613 -3.083 -13.252 1.00 33.41 H new ATOM 0 HE ARG A 24 -31.390 -2.416 -13.585 1.00 1.55 H new ATOM 0 HH11 ARG A 24 -29.255 -4.844 -12.166 1.00 52.43 H new ATOM 0 HH12 ARG A 24 -30.404 -5.280 -10.897 1.00 52.43 H new ATOM 0 HH21 ARG A 24 -32.860 -2.981 -11.950 1.00 73.34 H new ATOM 0 HH22 ARG A 24 -32.436 -4.231 -10.775 1.00 73.34 H new ATOM 415 N ASN A 25 -25.033 -0.301 -13.873 1.00 73.40 N ATOM 416 CA ASN A 25 -24.169 0.658 -13.195 1.00 64.40 C ATOM 417 C ASN A 25 -22.959 1.005 -14.058 1.00 73.31 C ATOM 418 O ASN A 25 -22.551 2.163 -14.135 1.00 2.50 O ATOM 419 CB ASN A 25 -23.705 0.095 -11.850 1.00 4.42 C ATOM 420 CG ASN A 25 -24.798 0.131 -10.800 1.00 14.30 C ATOM 421 OD1 ASN A 25 -24.825 1.017 -9.945 1.00 41.13 O ATOM 422 ND2 ASN A 25 -25.708 -0.835 -10.860 1.00 3.42 N ATOM 0 H ASN A 25 -24.655 -1.247 -13.923 1.00 73.40 H new ATOM 0 HA ASN A 25 -24.743 1.568 -13.022 1.00 64.40 H new ATOM 0 HB2 ASN A 25 -23.369 -0.933 -11.986 1.00 4.42 H new ATOM 0 HB3 ASN A 25 -22.847 0.666 -11.497 1.00 4.42 H new ATOM 0 HD21 ASN A 25 -26.468 -0.863 -10.180 1.00 3.42 H new ATOM 0 HD22 ASN A 25 -25.647 -1.549 -11.586 1.00 3.42 H new ATOM 429 N ASP A 26 -22.392 -0.007 -14.706 1.00 10.21 N ATOM 430 CA ASP A 26 -21.231 0.191 -15.565 1.00 65.23 C ATOM 431 C ASP A 26 -21.489 -0.362 -16.963 1.00 65.14 C ATOM 432 O ASP A 26 -21.911 -1.507 -17.119 1.00 65.45 O ATOM 433 CB ASP A 26 -19.999 -0.481 -14.957 1.00 21.53 C ATOM 434 CG ASP A 26 -19.246 0.435 -14.013 1.00 2.41 C ATOM 435 OD1 ASP A 26 -19.782 1.513 -13.680 1.00 23.34 O ATOM 436 OD2 ASP A 26 -18.120 0.076 -13.608 1.00 71.12 O ATOM 0 H ASP A 26 -22.718 -0.972 -14.653 1.00 10.21 H new ATOM 0 HA ASP A 26 -21.048 1.263 -15.645 1.00 65.23 H new ATOM 0 HB2 ASP A 26 -20.306 -1.378 -14.420 1.00 21.53 H new ATOM 0 HB3 ASP A 26 -19.332 -0.801 -15.757 1.00 21.53 H new ATOM 441 N GLU A 27 -21.233 0.460 -17.976 1.00 41.21 N ATOM 442 CA GLU A 27 -21.440 0.053 -19.361 1.00 22.01 C ATOM 443 C GLU A 27 -20.505 -1.093 -19.736 1.00 71.43 C ATOM 444 O GLU A 27 -20.848 -1.946 -20.556 1.00 51.12 O ATOM 445 CB GLU A 27 -21.216 1.238 -20.303 1.00 63.41 C ATOM 446 CG GLU A 27 -19.750 1.566 -20.529 1.00 44.45 C ATOM 447 CD GLU A 27 -19.035 1.957 -19.250 1.00 60.43 C ATOM 448 OE1 GLU A 27 -19.633 2.695 -18.439 1.00 65.22 O ATOM 449 OE2 GLU A 27 -17.879 1.524 -19.060 1.00 40.53 O ATOM 0 H GLU A 27 -20.882 1.411 -17.864 1.00 41.21 H new ATOM 0 HA GLU A 27 -22.469 -0.292 -19.462 1.00 22.01 H new ATOM 0 HB2 GLU A 27 -21.684 1.021 -21.264 1.00 63.41 H new ATOM 0 HB3 GLU A 27 -21.717 2.116 -19.895 1.00 63.41 H new ATOM 0 HG2 GLU A 27 -19.252 0.702 -20.969 1.00 44.45 H new ATOM 0 HG3 GLU A 27 -19.671 2.381 -21.249 1.00 44.45 H new ATOM 456 N HIS A 28 -19.322 -1.107 -19.131 1.00 2.02 N ATOM 457 CA HIS A 28 -18.337 -2.148 -19.401 1.00 23.22 C ATOM 458 C HIS A 28 -18.850 -3.512 -18.950 1.00 33.25 C ATOM 459 O HIS A 28 -18.505 -4.541 -19.531 1.00 41.44 O ATOM 460 CB HIS A 28 -17.018 -1.828 -18.696 1.00 15.24 C ATOM 461 CG HIS A 28 -16.100 -0.967 -19.506 1.00 45.51 C ATOM 462 ND1 HIS A 28 -14.808 -0.673 -19.121 1.00 73.33 N ATOM 463 CD2 HIS A 28 -16.291 -0.335 -20.688 1.00 62.21 C ATOM 464 CE1 HIS A 28 -14.246 0.103 -20.031 1.00 23.55 C ATOM 465 NE2 HIS A 28 -15.124 0.322 -20.992 1.00 52.21 N ATOM 0 H HIS A 28 -19.022 -0.409 -18.450 1.00 2.02 H new ATOM 0 HA HIS A 28 -18.166 -2.181 -20.477 1.00 23.22 H new ATOM 0 HB2 HIS A 28 -17.232 -1.328 -17.751 1.00 15.24 H new ATOM 0 HB3 HIS A 28 -16.509 -2.761 -18.455 1.00 15.24 H new ATOM 0 HD2 HIS A 28 -17.193 -0.346 -21.281 1.00 62.21 H new ATOM 0 HE1 HIS A 28 -13.239 0.492 -19.995 1.00 23.55 H new ATOM 0 HE2 HIS A 28 -14.962 0.888 -21.825 1.00 52.21 H new ATOM 474 N VAL A 29 -19.677 -3.513 -17.908 1.00 63.23 N ATOM 475 CA VAL A 29 -20.238 -4.750 -17.379 1.00 71.41 C ATOM 476 C VAL A 29 -21.288 -5.325 -18.323 1.00 33.22 C ATOM 477 O VAL A 29 -21.436 -6.542 -18.437 1.00 22.13 O ATOM 478 CB VAL A 29 -20.874 -4.531 -15.994 1.00 11.54 C ATOM 479 CG1 VAL A 29 -21.484 -5.824 -15.474 1.00 44.24 C ATOM 480 CG2 VAL A 29 -19.844 -3.987 -15.015 1.00 40.53 C ATOM 0 H VAL A 29 -19.973 -2.671 -17.414 1.00 63.23 H new ATOM 0 HA VAL A 29 -19.413 -5.456 -17.284 1.00 71.41 H new ATOM 0 HB VAL A 29 -21.672 -3.796 -16.093 1.00 11.54 H new ATOM 0 HG11 VAL A 29 -21.928 -5.648 -14.494 1.00 44.24 H new ATOM 0 HG12 VAL A 29 -22.254 -6.167 -16.165 1.00 44.24 H new ATOM 0 HG13 VAL A 29 -20.708 -6.584 -15.389 1.00 44.24 H new ATOM 0 HG21 VAL A 29 -20.311 -3.838 -14.041 1.00 40.53 H new ATOM 0 HG22 VAL A 29 -19.023 -4.697 -14.919 1.00 40.53 H new ATOM 0 HG23 VAL A 29 -19.460 -3.035 -15.382 1.00 40.53 H new ATOM 490 N ARG A 30 -22.016 -4.442 -18.998 1.00 41.43 N ATOM 491 CA ARG A 30 -23.054 -4.861 -19.932 1.00 63.04 C ATOM 492 C ARG A 30 -22.454 -5.647 -21.094 1.00 62.53 C ATOM 493 O ARG A 30 -22.866 -6.773 -21.375 1.00 25.44 O ATOM 494 CB ARG A 30 -23.813 -3.644 -20.464 1.00 60.24 C ATOM 495 CG ARG A 30 -24.447 -2.797 -19.373 1.00 73.32 C ATOM 496 CD ARG A 30 -25.636 -2.009 -19.900 1.00 72.01 C ATOM 497 NE ARG A 30 -25.425 -0.567 -19.799 1.00 35.53 N ATOM 498 CZ ARG A 30 -24.718 0.135 -20.676 1.00 51.43 C ATOM 499 NH1 ARG A 30 -24.157 -0.468 -21.715 1.00 41.53 N ATOM 500 NH2 ARG A 30 -24.571 1.444 -20.516 1.00 15.42 N ATOM 0 H ARG A 30 -21.906 -3.431 -18.916 1.00 41.43 H new ATOM 0 HA ARG A 30 -23.749 -5.509 -19.397 1.00 63.04 H new ATOM 0 HB2 ARG A 30 -23.128 -3.024 -21.042 1.00 60.24 H new ATOM 0 HB3 ARG A 30 -24.591 -3.982 -21.148 1.00 60.24 H new ATOM 0 HG2 ARG A 30 -24.769 -3.439 -18.553 1.00 73.32 H new ATOM 0 HG3 ARG A 30 -23.705 -2.110 -18.967 1.00 73.32 H new ATOM 0 HD2 ARG A 30 -25.816 -2.277 -20.941 1.00 72.01 H new ATOM 0 HD3 ARG A 30 -26.530 -2.285 -19.341 1.00 72.01 H new ATOM 0 HE ARG A 30 -25.844 -0.073 -19.011 1.00 35.53 H new ATOM 0 HH11 ARG A 30 -24.268 -1.474 -21.842 1.00 41.53 H new ATOM 0 HH12 ARG A 30 -23.614 0.074 -22.387 1.00 41.53 H new ATOM 0 HH21 ARG A 30 -25.002 1.912 -19.718 1.00 15.42 H new ATOM 0 HH22 ARG A 30 -24.027 1.982 -21.191 1.00 15.42 H new ATOM 514 N LYS A 31 -21.479 -5.047 -21.768 1.00 3.43 N ATOM 515 CA LYS A 31 -20.821 -5.689 -22.899 1.00 25.41 C ATOM 516 C LYS A 31 -20.146 -6.989 -22.470 1.00 14.43 C ATOM 517 O LYS A 31 -20.104 -7.957 -23.228 1.00 64.50 O ATOM 518 CB LYS A 31 -19.786 -4.746 -23.517 1.00 53.12 C ATOM 519 CG LYS A 31 -18.515 -4.615 -22.696 1.00 51.14 C ATOM 520 CD LYS A 31 -17.497 -3.721 -23.384 1.00 40.20 C ATOM 521 CE LYS A 31 -16.076 -4.077 -22.974 1.00 40.45 C ATOM 522 NZ LYS A 31 -15.698 -3.446 -21.680 1.00 25.04 N ATOM 0 H LYS A 31 -21.127 -4.115 -21.550 1.00 3.43 H new ATOM 0 HA LYS A 31 -21.582 -5.923 -23.644 1.00 25.41 H new ATOM 0 HB2 LYS A 31 -19.529 -5.105 -24.514 1.00 53.12 H new ATOM 0 HB3 LYS A 31 -20.233 -3.759 -23.639 1.00 53.12 H new ATOM 0 HG2 LYS A 31 -18.755 -4.206 -21.715 1.00 51.14 H new ATOM 0 HG3 LYS A 31 -18.083 -5.602 -22.533 1.00 51.14 H new ATOM 0 HD2 LYS A 31 -17.600 -3.816 -24.465 1.00 40.20 H new ATOM 0 HD3 LYS A 31 -17.699 -2.679 -23.135 1.00 40.20 H new ATOM 0 HE2 LYS A 31 -15.982 -5.160 -22.891 1.00 40.45 H new ATOM 0 HE3 LYS A 31 -15.382 -3.756 -23.751 1.00 40.45 H new ATOM 0 HZ1 LYS A 31 -15.010 -4.050 -21.187 1.00 25.04 H new ATOM 0 HZ2 LYS A 31 -15.274 -2.513 -21.859 1.00 25.04 H new ATOM 0 HZ3 LYS A 31 -16.546 -3.333 -21.088 1.00 25.04 H new ATOM 536 N VAL A 32 -19.622 -7.003 -21.248 1.00 41.43 N ATOM 537 CA VAL A 32 -18.952 -8.184 -20.717 1.00 53.23 C ATOM 538 C VAL A 32 -19.951 -9.298 -20.428 1.00 34.33 C ATOM 539 O VAL A 32 -19.815 -10.415 -20.929 1.00 11.33 O ATOM 540 CB VAL A 32 -18.176 -7.857 -19.428 1.00 13.14 C ATOM 541 CG1 VAL A 32 -17.723 -9.135 -18.738 1.00 50.05 C ATOM 542 CG2 VAL A 32 -16.989 -6.957 -19.734 1.00 40.13 C ATOM 0 H VAL A 32 -19.649 -6.210 -20.607 1.00 41.43 H new ATOM 0 HA VAL A 32 -18.249 -8.519 -21.479 1.00 53.23 H new ATOM 0 HB VAL A 32 -18.842 -7.323 -18.750 1.00 13.14 H new ATOM 0 HG11 VAL A 32 -17.176 -8.884 -17.829 1.00 50.05 H new ATOM 0 HG12 VAL A 32 -18.594 -9.739 -18.482 1.00 50.05 H new ATOM 0 HG13 VAL A 32 -17.074 -9.699 -19.407 1.00 50.05 H new ATOM 0 HG21 VAL A 32 -16.452 -6.736 -18.811 1.00 40.13 H new ATOM 0 HG22 VAL A 32 -16.320 -7.462 -20.431 1.00 40.13 H new ATOM 0 HG23 VAL A 32 -17.343 -6.027 -20.179 1.00 40.13 H new ATOM 552 N PHE A 33 -20.957 -8.988 -19.616 1.00 3.01 N ATOM 553 CA PHE A 33 -21.980 -9.964 -19.258 1.00 42.45 C ATOM 554 C PHE A 33 -22.785 -10.382 -20.485 1.00 50.44 C ATOM 555 O PHE A 33 -23.361 -11.469 -20.522 1.00 52.12 O ATOM 556 CB PHE A 33 -22.915 -9.387 -18.193 1.00 44.12 C ATOM 557 CG PHE A 33 -23.256 -10.362 -17.103 1.00 65.42 C ATOM 558 CD1 PHE A 33 -22.317 -10.706 -16.144 1.00 4.41 C ATOM 559 CD2 PHE A 33 -24.515 -10.937 -17.038 1.00 41.33 C ATOM 560 CE1 PHE A 33 -22.627 -11.603 -15.139 1.00 52.32 C ATOM 561 CE2 PHE A 33 -24.831 -11.834 -16.036 1.00 13.11 C ATOM 562 CZ PHE A 33 -23.886 -12.168 -15.086 1.00 20.41 C ATOM 0 H PHE A 33 -21.085 -8.069 -19.194 1.00 3.01 H new ATOM 0 HA PHE A 33 -21.481 -10.845 -18.855 1.00 42.45 H new ATOM 0 HB2 PHE A 33 -22.449 -8.507 -17.750 1.00 44.12 H new ATOM 0 HB3 PHE A 33 -23.836 -9.053 -18.672 1.00 44.12 H new ATOM 0 HD1 PHE A 33 -21.331 -10.268 -16.182 1.00 4.41 H new ATOM 0 HD2 PHE A 33 -25.258 -10.681 -17.779 1.00 41.33 H new ATOM 0 HE1 PHE A 33 -21.886 -11.861 -14.397 1.00 52.32 H new ATOM 0 HE2 PHE A 33 -25.817 -12.274 -15.996 1.00 13.11 H new ATOM 0 HZ PHE A 33 -24.131 -12.870 -14.303 1.00 20.41 H new ATOM 572 N ASP A 34 -22.820 -9.510 -21.487 1.00 72.03 N ATOM 573 CA ASP A 34 -23.554 -9.788 -22.717 1.00 1.53 C ATOM 574 C ASP A 34 -22.853 -10.867 -23.536 1.00 35.34 C ATOM 575 O ASP A 34 -23.484 -11.820 -23.992 1.00 34.12 O ATOM 576 CB ASP A 34 -23.698 -8.512 -23.549 1.00 32.24 C ATOM 577 CG ASP A 34 -24.490 -8.738 -24.821 1.00 55.23 C ATOM 578 OD1 ASP A 34 -24.020 -9.509 -25.684 1.00 11.53 O ATOM 579 OD2 ASP A 34 -25.581 -8.143 -24.955 1.00 45.14 O ATOM 0 H ASP A 34 -22.349 -8.605 -21.472 1.00 72.03 H new ATOM 0 HA ASP A 34 -24.546 -10.150 -22.446 1.00 1.53 H new ATOM 0 HB2 ASP A 34 -24.189 -7.745 -22.950 1.00 32.24 H new ATOM 0 HB3 ASP A 34 -22.708 -8.134 -23.803 1.00 32.24 H new ATOM 584 N GLU A 35 -21.546 -10.710 -23.718 1.00 11.10 N ATOM 585 CA GLU A 35 -20.761 -11.671 -24.484 1.00 32.02 C ATOM 586 C GLU A 35 -20.695 -13.015 -23.765 1.00 32.41 C ATOM 587 O GLU A 35 -20.755 -14.072 -24.395 1.00 40.41 O ATOM 588 CB GLU A 35 -19.347 -11.136 -24.719 1.00 71.11 C ATOM 589 CG GLU A 35 -19.293 -9.962 -25.682 1.00 62.33 C ATOM 590 CD GLU A 35 -17.890 -9.413 -25.855 1.00 22.35 C ATOM 591 OE1 GLU A 35 -16.941 -10.033 -25.330 1.00 71.01 O ATOM 592 OE2 GLU A 35 -17.741 -8.363 -26.514 1.00 71.44 O ATOM 0 H GLU A 35 -21.008 -9.927 -23.346 1.00 11.10 H new ATOM 0 HA GLU A 35 -21.251 -11.817 -25.447 1.00 32.02 H new ATOM 0 HB2 GLU A 35 -18.919 -10.832 -23.764 1.00 71.11 H new ATOM 0 HB3 GLU A 35 -18.722 -11.941 -25.106 1.00 71.11 H new ATOM 0 HG2 GLU A 35 -19.679 -10.275 -26.652 1.00 62.33 H new ATOM 0 HG3 GLU A 35 -19.947 -9.169 -25.319 1.00 62.33 H new ATOM 599 N ILE A 36 -20.571 -12.967 -22.443 1.00 20.21 N ATOM 600 CA ILE A 36 -20.497 -14.180 -21.638 1.00 73.32 C ATOM 601 C ILE A 36 -21.847 -14.887 -21.584 1.00 74.14 C ATOM 602 O ILE A 36 -21.919 -16.114 -21.643 1.00 24.31 O ATOM 603 CB ILE A 36 -20.032 -13.876 -20.202 1.00 12.21 C ATOM 604 CG1 ILE A 36 -18.660 -13.200 -20.219 1.00 43.15 C ATOM 605 CG2 ILE A 36 -19.989 -15.153 -19.377 1.00 71.41 C ATOM 606 CD1 ILE A 36 -18.327 -12.474 -18.935 1.00 13.32 C ATOM 0 H ILE A 36 -20.520 -12.101 -21.907 1.00 20.21 H new ATOM 0 HA ILE A 36 -19.767 -14.832 -22.117 1.00 73.32 H new ATOM 0 HB ILE A 36 -20.747 -13.194 -19.742 1.00 12.21 H new ATOM 0 HG12 ILE A 36 -17.895 -13.953 -20.409 1.00 43.15 H new ATOM 0 HG13 ILE A 36 -18.623 -12.492 -21.047 1.00 43.15 H new ATOM 0 HG21 ILE A 36 -19.658 -14.921 -18.365 1.00 71.41 H new ATOM 0 HG22 ILE A 36 -20.984 -15.597 -19.341 1.00 71.41 H new ATOM 0 HG23 ILE A 36 -19.294 -15.858 -19.833 1.00 71.41 H new ATOM 0 HD11 ILE A 36 -17.340 -12.019 -19.020 1.00 13.32 H new ATOM 0 HD12 ILE A 36 -19.070 -11.697 -18.753 1.00 13.32 H new ATOM 0 HD13 ILE A 36 -18.331 -13.181 -18.106 1.00 13.32 H new ATOM 618 N GLN A 37 -22.915 -14.104 -21.474 1.00 53.43 N ATOM 619 CA GLN A 37 -24.264 -14.655 -21.414 1.00 22.11 C ATOM 620 C GLN A 37 -24.574 -15.473 -22.663 1.00 63.31 C ATOM 621 O GLN A 37 -25.244 -16.503 -22.591 1.00 24.13 O ATOM 622 CB GLN A 37 -25.290 -13.532 -21.258 1.00 14.12 C ATOM 623 CG GLN A 37 -25.591 -13.179 -19.810 1.00 31.40 C ATOM 624 CD GLN A 37 -26.486 -11.963 -19.679 1.00 42.43 C ATOM 625 OE1 GLN A 37 -27.563 -12.031 -19.088 1.00 15.23 O ATOM 626 NE2 GLN A 37 -26.043 -10.840 -20.232 1.00 43.43 N ATOM 0 H GLN A 37 -22.873 -13.086 -21.425 1.00 53.43 H new ATOM 0 HA GLN A 37 -24.322 -15.313 -20.547 1.00 22.11 H new ATOM 0 HB2 GLN A 37 -24.924 -12.643 -21.771 1.00 14.12 H new ATOM 0 HB3 GLN A 37 -26.216 -13.826 -21.752 1.00 14.12 H new ATOM 0 HG2 GLN A 37 -26.068 -14.030 -19.324 1.00 31.40 H new ATOM 0 HG3 GLN A 37 -24.655 -12.995 -19.283 1.00 31.40 H new ATOM 0 HE21 GLN A 37 -25.143 -10.829 -20.713 1.00 43.43 H new ATOM 0 HE22 GLN A 37 -26.602 -9.989 -20.176 1.00 43.43 H new ATOM 635 N GLN A 38 -24.082 -15.007 -23.807 1.00 31.53 N ATOM 636 CA GLN A 38 -24.308 -15.696 -25.072 1.00 32.32 C ATOM 637 C GLN A 38 -23.412 -16.925 -25.191 1.00 2.54 C ATOM 638 O GLN A 38 -23.893 -18.042 -25.382 1.00 1.41 O ATOM 639 CB GLN A 38 -24.053 -14.749 -26.245 1.00 54.13 C ATOM 640 CG GLN A 38 -24.856 -13.460 -26.172 1.00 72.11 C ATOM 641 CD GLN A 38 -25.973 -13.410 -27.196 1.00 14.44 C ATOM 642 OE1 GLN A 38 -25.954 -12.588 -28.113 1.00 62.40 O ATOM 643 NE2 GLN A 38 -26.956 -14.290 -27.044 1.00 1.11 N ATOM 0 H GLN A 38 -23.525 -14.156 -23.883 1.00 31.53 H new ATOM 0 HA GLN A 38 -25.347 -16.023 -25.098 1.00 32.32 H new ATOM 0 HB2 GLN A 38 -22.991 -14.504 -26.280 1.00 54.13 H new ATOM 0 HB3 GLN A 38 -24.292 -15.264 -27.175 1.00 54.13 H new ATOM 0 HG2 GLN A 38 -25.279 -13.356 -25.173 1.00 72.11 H new ATOM 0 HG3 GLN A 38 -24.189 -12.612 -26.326 1.00 72.11 H new ATOM 0 HE21 GLN A 38 -26.931 -14.953 -26.270 1.00 1.11 H new ATOM 0 HE22 GLN A 38 -27.736 -14.303 -27.702 1.00 1.11 H new ATOM 652 N LYS A 39 -22.105 -16.711 -25.076 1.00 54.44 N ATOM 653 CA LYS A 39 -21.140 -17.799 -25.170 1.00 32.51 C ATOM 654 C LYS A 39 -21.445 -18.886 -24.143 1.00 44.14 C ATOM 655 O LYS A 39 -21.209 -20.070 -24.389 1.00 53.20 O ATOM 656 CB LYS A 39 -19.720 -17.269 -24.961 1.00 31.01 C ATOM 657 CG LYS A 39 -19.346 -17.092 -23.500 1.00 23.24 C ATOM 658 CD LYS A 39 -18.051 -16.312 -23.346 1.00 51.41 C ATOM 659 CE LYS A 39 -16.839 -17.173 -23.666 1.00 33.42 C ATOM 660 NZ LYS A 39 -16.547 -17.199 -25.126 1.00 24.33 N ATOM 0 H LYS A 39 -21.690 -15.793 -24.917 1.00 54.44 H new ATOM 0 HA LYS A 39 -21.215 -18.233 -26.167 1.00 32.51 H new ATOM 0 HB2 LYS A 39 -19.013 -17.955 -25.428 1.00 31.01 H new ATOM 0 HB3 LYS A 39 -19.620 -16.311 -25.472 1.00 31.01 H new ATOM 0 HG2 LYS A 39 -20.149 -16.572 -22.978 1.00 23.24 H new ATOM 0 HG3 LYS A 39 -19.241 -18.070 -23.029 1.00 23.24 H new ATOM 0 HD2 LYS A 39 -18.067 -15.445 -24.006 1.00 51.41 H new ATOM 0 HD3 LYS A 39 -17.971 -15.935 -22.326 1.00 51.41 H new ATOM 0 HE2 LYS A 39 -15.971 -16.792 -23.129 1.00 33.42 H new ATOM 0 HE3 LYS A 39 -17.012 -18.189 -23.312 1.00 33.42 H new ATOM 0 HZ1 LYS A 39 -16.684 -18.163 -25.490 1.00 24.33 H new ATOM 0 HZ2 LYS A 39 -17.190 -16.548 -25.620 1.00 24.33 H new ATOM 0 HZ3 LYS A 39 -15.563 -16.904 -25.289 1.00 24.33 H new ATOM 674 N LEU A 40 -21.970 -18.477 -22.994 1.00 2.21 N ATOM 675 CA LEU A 40 -22.308 -19.416 -21.930 1.00 52.01 C ATOM 676 C LEU A 40 -23.788 -19.782 -21.977 1.00 53.30 C ATOM 677 O LEU A 40 -24.245 -20.661 -21.246 1.00 1.25 O ATOM 678 CB LEU A 40 -21.962 -18.818 -20.565 1.00 50.35 C ATOM 679 CG LEU A 40 -21.379 -19.787 -19.536 1.00 42.53 C ATOM 680 CD1 LEU A 40 -20.074 -20.382 -20.043 1.00 54.00 C ATOM 681 CD2 LEU A 40 -21.164 -19.084 -18.204 1.00 11.52 C ATOM 0 H LEU A 40 -22.171 -17.501 -22.775 1.00 2.21 H new ATOM 0 HA LEU A 40 -21.723 -20.323 -22.081 1.00 52.01 H new ATOM 0 HB2 LEU A 40 -21.249 -18.008 -20.716 1.00 50.35 H new ATOM 0 HB3 LEU A 40 -22.865 -18.374 -20.146 1.00 50.35 H new ATOM 0 HG LEU A 40 -22.091 -20.599 -19.385 1.00 42.53 H new ATOM 0 HD11 LEU A 40 -19.674 -21.069 -19.298 1.00 54.00 H new ATOM 0 HD12 LEU A 40 -20.257 -20.921 -20.972 1.00 54.00 H new ATOM 0 HD13 LEU A 40 -19.355 -19.583 -20.223 1.00 54.00 H new ATOM 0 HD21 LEU A 40 -20.749 -19.789 -17.484 1.00 11.52 H new ATOM 0 HD22 LEU A 40 -20.472 -18.253 -18.339 1.00 11.52 H new ATOM 0 HD23 LEU A 40 -22.117 -18.706 -17.834 1.00 11.52 H new ATOM 693 N HIS A 41 -24.533 -19.103 -22.844 1.00 12.33 N ATOM 694 CA HIS A 41 -25.962 -19.358 -22.988 1.00 60.24 C ATOM 695 C HIS A 41 -26.660 -19.322 -21.632 1.00 54.15 C ATOM 696 O HIS A 41 -27.321 -20.283 -21.237 1.00 12.22 O ATOM 697 CB HIS A 41 -26.194 -20.713 -23.659 1.00 0.24 C ATOM 698 CG HIS A 41 -25.487 -20.861 -24.970 1.00 43.04 C ATOM 699 ND1 HIS A 41 -26.149 -20.957 -26.176 1.00 11.10 N ATOM 700 CD2 HIS A 41 -24.167 -20.928 -25.262 1.00 5.22 C ATOM 701 CE1 HIS A 41 -25.267 -21.078 -27.152 1.00 71.10 C ATOM 702 NE2 HIS A 41 -24.057 -21.063 -26.624 1.00 5.21 N ATOM 0 H HIS A 41 -24.171 -18.373 -23.457 1.00 12.33 H new ATOM 0 HA HIS A 41 -26.385 -18.573 -23.615 1.00 60.24 H new ATOM 0 HB2 HIS A 41 -25.863 -21.504 -22.986 1.00 0.24 H new ATOM 0 HB3 HIS A 41 -27.264 -20.854 -23.815 1.00 0.24 H new ATOM 0 HD2 HIS A 41 -23.352 -20.884 -24.555 1.00 5.22 H new ATOM 0 HE1 HIS A 41 -25.497 -21.173 -28.203 1.00 71.10 H new ATOM 0 HE2 HIS A 41 -23.183 -21.139 -27.143 1.00 5.21 H new ATOM 711 N CYS A 42 -26.509 -18.208 -20.924 1.00 53.11 N ATOM 712 CA CYS A 42 -27.124 -18.046 -19.612 1.00 62.01 C ATOM 713 C CYS A 42 -27.687 -16.638 -19.445 1.00 41.41 C ATOM 714 O CYS A 42 -27.346 -15.727 -20.201 1.00 31.11 O ATOM 715 CB CYS A 42 -26.103 -18.333 -18.509 1.00 34.22 C ATOM 716 SG CYS A 42 -24.705 -17.166 -18.467 1.00 72.32 S ATOM 0 H CYS A 42 -25.966 -17.403 -21.237 1.00 53.11 H new ATOM 0 HA CYS A 42 -27.945 -18.758 -19.533 1.00 62.01 H new ATOM 0 HB2 CYS A 42 -26.610 -18.310 -17.544 1.00 34.22 H new ATOM 0 HB3 CYS A 42 -25.715 -19.343 -18.642 1.00 34.22 H new ATOM 721 N CYS A 43 -28.551 -16.466 -18.450 1.00 43.11 N ATOM 722 CA CYS A 43 -29.162 -15.170 -18.183 1.00 11.34 C ATOM 723 C CYS A 43 -28.899 -14.730 -16.745 1.00 61.51 C ATOM 724 O CYS A 43 -29.049 -15.513 -15.808 1.00 71.52 O ATOM 725 CB CYS A 43 -30.669 -15.230 -18.441 1.00 42.14 C ATOM 726 SG CYS A 43 -31.118 -15.298 -20.206 1.00 31.55 S ATOM 0 H CYS A 43 -28.844 -17.209 -17.815 1.00 43.11 H new ATOM 0 HA CYS A 43 -28.713 -14.440 -18.856 1.00 11.34 H new ATOM 0 HB2 CYS A 43 -31.078 -16.106 -17.939 1.00 42.14 H new ATOM 0 HB3 CYS A 43 -31.139 -14.356 -17.991 1.00 42.14 H new ATOM 731 N GLY A 44 -28.505 -13.471 -16.579 1.00 72.34 N ATOM 732 CA GLY A 44 -28.228 -12.949 -15.254 1.00 64.11 C ATOM 733 C GLY A 44 -27.195 -13.773 -14.511 1.00 32.42 C ATOM 734 O GLY A 44 -26.691 -14.767 -15.033 1.00 73.14 O ATOM 0 H GLY A 44 -28.373 -12.803 -17.339 1.00 72.34 H new ATOM 0 HA2 GLY A 44 -27.876 -11.921 -15.338 1.00 64.11 H new ATOM 0 HA3 GLY A 44 -29.152 -12.923 -14.676 1.00 64.11 H new ATOM 738 N ALA A 45 -26.878 -13.359 -13.288 1.00 74.53 N ATOM 739 CA ALA A 45 -25.900 -14.067 -12.472 1.00 44.21 C ATOM 740 C ALA A 45 -26.402 -15.456 -12.093 1.00 42.13 C ATOM 741 O ALA A 45 -25.842 -16.466 -12.519 1.00 23.31 O ATOM 742 CB ALA A 45 -25.574 -13.262 -11.222 1.00 73.14 C ATOM 0 H ALA A 45 -27.284 -12.537 -12.841 1.00 74.53 H new ATOM 0 HA ALA A 45 -24.991 -14.187 -13.061 1.00 44.21 H new ATOM 0 HB1 ALA A 45 -24.842 -13.803 -10.622 1.00 73.14 H new ATOM 0 HB2 ALA A 45 -25.164 -12.294 -11.509 1.00 73.14 H new ATOM 0 HB3 ALA A 45 -26.482 -13.112 -10.639 1.00 73.14 H new ATOM 748 N ASP A 46 -27.460 -15.499 -11.291 1.00 4.12 N ATOM 749 CA ASP A 46 -28.038 -16.765 -10.855 1.00 4.32 C ATOM 750 C ASP A 46 -29.356 -17.036 -11.573 1.00 20.13 C ATOM 751 O ASP A 46 -29.847 -18.165 -11.584 1.00 50.23 O ATOM 752 CB ASP A 46 -28.259 -16.754 -9.342 1.00 33.25 C ATOM 753 CG ASP A 46 -28.030 -18.115 -8.713 1.00 51.23 C ATOM 754 OD1 ASP A 46 -28.650 -19.095 -9.177 1.00 41.03 O ATOM 755 OD2 ASP A 46 -27.230 -18.200 -7.758 1.00 52.33 O ATOM 0 H ASP A 46 -27.935 -14.672 -10.930 1.00 4.12 H new ATOM 0 HA ASP A 46 -27.338 -17.562 -11.106 1.00 4.32 H new ATOM 0 HB2 ASP A 46 -27.587 -16.028 -8.885 1.00 33.25 H new ATOM 0 HB3 ASP A 46 -29.276 -16.425 -9.129 1.00 33.25 H new ATOM 760 N SER A 47 -29.924 -15.993 -12.170 1.00 34.34 N ATOM 761 CA SER A 47 -31.189 -16.118 -12.886 1.00 24.04 C ATOM 762 C SER A 47 -31.495 -14.847 -13.672 1.00 72.10 C ATOM 763 O SER A 47 -30.946 -13.777 -13.410 1.00 41.23 O ATOM 764 CB SER A 47 -32.327 -16.412 -11.907 1.00 23.55 C ATOM 765 OG SER A 47 -31.951 -16.096 -10.577 1.00 43.14 O ATOM 0 H SER A 47 -29.529 -15.053 -12.172 1.00 34.34 H new ATOM 0 HA SER A 47 -31.101 -16.947 -13.588 1.00 24.04 H new ATOM 0 HB2 SER A 47 -33.209 -15.835 -12.186 1.00 23.55 H new ATOM 0 HB3 SER A 47 -32.602 -17.465 -11.970 1.00 23.55 H new ATOM 0 HG SER A 47 -32.425 -16.685 -9.954 1.00 43.14 H new ATOM 771 N PRO A 48 -32.394 -14.966 -14.660 1.00 73.22 N ATOM 772 CA PRO A 48 -32.796 -13.838 -15.506 1.00 4.25 C ATOM 773 C PRO A 48 -33.624 -12.809 -14.744 1.00 4.43 C ATOM 774 O PRO A 48 -33.696 -11.643 -15.133 1.00 45.21 O ATOM 775 CB PRO A 48 -33.638 -14.497 -16.601 1.00 2.03 C ATOM 776 CG PRO A 48 -34.157 -15.747 -15.978 1.00 55.23 C ATOM 777 CD PRO A 48 -33.089 -16.212 -15.028 1.00 43.51 C ATOM 0 HA PRO A 48 -31.936 -13.286 -15.885 1.00 4.25 H new ATOM 0 HB2 PRO A 48 -34.452 -13.846 -16.920 1.00 2.03 H new ATOM 0 HB3 PRO A 48 -33.038 -14.714 -17.485 1.00 2.03 H new ATOM 0 HG2 PRO A 48 -35.093 -15.561 -15.452 1.00 55.23 H new ATOM 0 HG3 PRO A 48 -34.362 -16.504 -16.735 1.00 55.23 H new ATOM 0 HD2 PRO A 48 -33.515 -16.707 -14.156 1.00 43.51 H new ATOM 0 HD3 PRO A 48 -32.413 -16.925 -15.501 1.00 43.51 H new ATOM 785 N LYS A 49 -34.248 -13.246 -13.655 1.00 65.44 N ATOM 786 CA LYS A 49 -35.070 -12.363 -12.837 1.00 23.22 C ATOM 787 C LYS A 49 -34.230 -11.240 -12.237 1.00 14.15 C ATOM 788 O LYS A 49 -34.759 -10.200 -11.843 1.00 44.44 O ATOM 789 CB LYS A 49 -35.752 -13.157 -11.720 1.00 63.13 C ATOM 790 CG LYS A 49 -34.777 -13.801 -10.749 1.00 52.02 C ATOM 791 CD LYS A 49 -35.288 -13.734 -9.320 1.00 33.22 C ATOM 792 CE LYS A 49 -34.464 -14.612 -8.391 1.00 65.34 C ATOM 793 NZ LYS A 49 -35.253 -15.072 -7.216 1.00 14.24 N ATOM 0 H LYS A 49 -34.200 -14.208 -13.319 1.00 65.44 H new ATOM 0 HA LYS A 49 -35.833 -11.920 -13.478 1.00 23.22 H new ATOM 0 HB2 LYS A 49 -36.417 -12.493 -11.168 1.00 63.13 H new ATOM 0 HB3 LYS A 49 -36.374 -13.933 -12.165 1.00 63.13 H new ATOM 0 HG2 LYS A 49 -34.616 -14.842 -11.030 1.00 52.02 H new ATOM 0 HG3 LYS A 49 -33.811 -13.300 -10.815 1.00 52.02 H new ATOM 0 HD2 LYS A 49 -35.257 -12.702 -8.970 1.00 33.22 H new ATOM 0 HD3 LYS A 49 -36.331 -14.050 -9.290 1.00 33.22 H new ATOM 0 HE2 LYS A 49 -34.095 -15.477 -8.942 1.00 65.34 H new ATOM 0 HE3 LYS A 49 -33.591 -14.057 -8.047 1.00 65.34 H new ATOM 0 HZ1 LYS A 49 -34.655 -15.667 -6.608 1.00 14.24 H new ATOM 0 HZ2 LYS A 49 -35.584 -14.247 -6.675 1.00 14.24 H new ATOM 0 HZ3 LYS A 49 -36.072 -15.623 -7.542 1.00 14.24 H new ATOM 807 N ASP A 50 -32.921 -11.456 -12.170 1.00 74.34 N ATOM 808 CA ASP A 50 -32.009 -10.461 -11.620 1.00 44.24 C ATOM 809 C ASP A 50 -32.148 -9.131 -12.355 1.00 63.24 C ATOM 810 O ASP A 50 -31.832 -8.073 -11.810 1.00 75.14 O ATOM 811 CB ASP A 50 -30.565 -10.958 -11.708 1.00 42.33 C ATOM 812 CG ASP A 50 -30.306 -12.148 -10.806 1.00 74.53 C ATOM 813 OD1 ASP A 50 -30.770 -12.126 -9.647 1.00 41.31 O ATOM 814 OD2 ASP A 50 -29.640 -13.103 -11.259 1.00 40.22 O ATOM 0 H ASP A 50 -32.468 -12.312 -12.490 1.00 74.34 H new ATOM 0 HA ASP A 50 -32.269 -10.306 -10.573 1.00 44.24 H new ATOM 0 HB2 ASP A 50 -30.340 -11.232 -12.739 1.00 42.33 H new ATOM 0 HB3 ASP A 50 -29.888 -10.147 -11.439 1.00 42.33 H new ATOM 819 N TYR A 51 -32.620 -9.193 -13.595 1.00 73.32 N ATOM 820 CA TYR A 51 -32.798 -7.995 -14.406 1.00 43.25 C ATOM 821 C TYR A 51 -34.187 -7.399 -14.201 1.00 41.40 C ATOM 822 O TYR A 51 -34.412 -6.217 -14.458 1.00 51.22 O ATOM 823 CB TYR A 51 -32.583 -8.319 -15.886 1.00 12.41 C ATOM 824 CG TYR A 51 -31.153 -8.669 -16.228 1.00 23.12 C ATOM 825 CD1 TYR A 51 -30.110 -7.810 -15.903 1.00 22.22 C ATOM 826 CD2 TYR A 51 -30.844 -9.858 -16.877 1.00 22.14 C ATOM 827 CE1 TYR A 51 -28.801 -8.126 -16.214 1.00 13.33 C ATOM 828 CE2 TYR A 51 -29.538 -10.183 -17.190 1.00 52.51 C ATOM 829 CZ TYR A 51 -28.521 -9.313 -16.857 1.00 25.21 C ATOM 830 OH TYR A 51 -27.219 -9.632 -17.169 1.00 23.03 O ATOM 0 H TYR A 51 -32.886 -10.061 -14.060 1.00 73.32 H new ATOM 0 HA TYR A 51 -32.057 -7.260 -14.090 1.00 43.25 H new ATOM 0 HB2 TYR A 51 -33.229 -9.152 -16.164 1.00 12.41 H new ATOM 0 HB3 TYR A 51 -32.892 -7.462 -16.485 1.00 12.41 H new ATOM 0 HD1 TYR A 51 -30.326 -6.880 -15.399 1.00 22.22 H new ATOM 0 HD2 TYR A 51 -31.638 -10.540 -17.141 1.00 22.14 H new ATOM 0 HE1 TYR A 51 -28.002 -7.447 -15.955 1.00 13.33 H new ATOM 0 HE2 TYR A 51 -29.315 -11.113 -17.692 1.00 52.51 H new ATOM 0 HH TYR A 51 -26.704 -8.809 -17.303 1.00 23.03 H new ATOM 840 N GLY A 52 -35.116 -8.227 -13.734 1.00 74.14 N ATOM 841 CA GLY A 52 -36.472 -7.765 -13.501 1.00 72.21 C ATOM 842 C GLY A 52 -37.465 -8.366 -14.476 1.00 52.24 C ATOM 843 O GLY A 52 -37.932 -9.488 -14.284 1.00 63.00 O ATOM 0 H GLY A 52 -34.954 -9.209 -13.513 1.00 74.14 H new ATOM 0 HA2 GLY A 52 -36.769 -8.018 -12.483 1.00 72.21 H new ATOM 0 HA3 GLY A 52 -36.501 -6.678 -13.581 1.00 72.21 H new ATOM 847 N GLU A 53 -37.790 -7.616 -15.525 1.00 0.11 N ATOM 848 CA GLU A 53 -38.736 -8.081 -16.532 1.00 74.10 C ATOM 849 C GLU A 53 -38.319 -7.619 -17.925 1.00 53.22 C ATOM 850 O GLU A 53 -39.147 -7.515 -18.830 1.00 2.34 O ATOM 851 CB GLU A 53 -40.144 -7.573 -16.214 1.00 72.03 C ATOM 852 CG GLU A 53 -40.218 -6.068 -16.016 1.00 60.32 C ATOM 853 CD GLU A 53 -41.538 -5.483 -16.479 1.00 40.02 C ATOM 854 OE1 GLU A 53 -42.510 -5.521 -15.696 1.00 73.44 O ATOM 855 OE2 GLU A 53 -41.599 -4.987 -17.624 1.00 21.14 O ATOM 0 H GLU A 53 -37.412 -6.685 -15.699 1.00 0.11 H new ATOM 0 HA GLU A 53 -38.738 -9.171 -16.515 1.00 74.10 H new ATOM 0 HB2 GLU A 53 -40.815 -7.858 -17.024 1.00 72.03 H new ATOM 0 HB3 GLU A 53 -40.505 -8.068 -15.312 1.00 72.03 H new ATOM 0 HG2 GLU A 53 -40.072 -5.837 -14.961 1.00 60.32 H new ATOM 0 HG3 GLU A 53 -39.403 -5.593 -16.562 1.00 60.32 H new ATOM 862 N ASN A 54 -37.030 -7.342 -18.089 1.00 63.32 N ATOM 863 CA ASN A 54 -36.502 -6.890 -19.371 1.00 40.22 C ATOM 864 C ASN A 54 -35.008 -7.181 -19.478 1.00 32.10 C ATOM 865 O ASN A 54 -34.166 -6.291 -19.353 1.00 74.33 O ATOM 866 CB ASN A 54 -36.755 -5.392 -19.550 1.00 41.52 C ATOM 867 CG ASN A 54 -38.210 -5.082 -19.843 1.00 13.31 C ATOM 868 OD1 ASN A 54 -38.672 -5.228 -20.975 1.00 32.14 O ATOM 869 ND2 ASN A 54 -38.940 -4.651 -18.821 1.00 13.32 N ATOM 0 H ASN A 54 -36.331 -7.423 -17.350 1.00 63.32 H new ATOM 0 HA ASN A 54 -37.018 -7.436 -20.161 1.00 40.22 H new ATOM 0 HB2 ASN A 54 -36.449 -4.864 -18.647 1.00 41.52 H new ATOM 0 HB3 ASN A 54 -36.135 -5.016 -20.364 1.00 41.52 H new ATOM 0 HD21 ASN A 54 -39.926 -4.426 -18.957 1.00 13.32 H new ATOM 0 HD22 ASN A 54 -38.515 -4.545 -17.900 1.00 13.32 H new ATOM 876 N PRO A 55 -34.670 -8.457 -19.715 1.00 64.21 N ATOM 877 CA PRO A 55 -33.277 -8.896 -19.845 1.00 41.42 C ATOM 878 C PRO A 55 -32.625 -8.382 -21.124 1.00 63.34 C ATOM 879 O PRO A 55 -33.290 -7.880 -22.030 1.00 42.33 O ATOM 880 CB PRO A 55 -33.387 -10.422 -19.876 1.00 60.04 C ATOM 881 CG PRO A 55 -34.760 -10.692 -20.386 1.00 73.45 C ATOM 882 CD PRO A 55 -35.621 -9.570 -19.875 1.00 25.11 C ATOM 0 HA PRO A 55 -32.653 -8.517 -19.036 1.00 41.42 H new ATOM 0 HB2 PRO A 55 -32.630 -10.860 -20.526 1.00 60.04 H new ATOM 0 HB3 PRO A 55 -33.242 -10.850 -18.884 1.00 60.04 H new ATOM 0 HG2 PRO A 55 -34.771 -10.727 -21.475 1.00 73.45 H new ATOM 0 HG3 PRO A 55 -35.125 -11.656 -20.032 1.00 73.45 H new ATOM 0 HD2 PRO A 55 -36.416 -9.321 -20.578 1.00 25.11 H new ATOM 0 HD3 PRO A 55 -36.100 -9.829 -18.931 1.00 25.11 H new ATOM 890 N PRO A 56 -31.292 -8.511 -21.203 1.00 1.12 N ATOM 891 CA PRO A 56 -30.521 -8.067 -22.368 1.00 1.43 C ATOM 892 C PRO A 56 -30.775 -8.934 -23.596 1.00 51.41 C ATOM 893 O PRO A 56 -31.240 -10.068 -23.483 1.00 75.22 O ATOM 894 CB PRO A 56 -29.068 -8.206 -21.906 1.00 32.31 C ATOM 895 CG PRO A 56 -29.106 -9.254 -20.848 1.00 32.14 C ATOM 896 CD PRO A 56 -30.435 -9.101 -20.160 1.00 41.45 C ATOM 0 HA PRO A 56 -30.790 -7.056 -22.674 1.00 1.43 H new ATOM 0 HB2 PRO A 56 -28.417 -8.498 -22.730 1.00 32.31 H new ATOM 0 HB3 PRO A 56 -28.685 -7.263 -21.516 1.00 32.31 H new ATOM 0 HG2 PRO A 56 -29.003 -10.249 -21.281 1.00 32.14 H new ATOM 0 HG3 PRO A 56 -28.285 -9.126 -20.143 1.00 32.14 H new ATOM 0 HD2 PRO A 56 -30.823 -10.060 -19.816 1.00 41.45 H new ATOM 0 HD3 PRO A 56 -30.363 -8.454 -19.285 1.00 41.45 H new ATOM 904 N THR A 57 -30.466 -8.393 -24.771 1.00 13.12 N ATOM 905 CA THR A 57 -30.662 -9.117 -26.020 1.00 41.35 C ATOM 906 C THR A 57 -29.799 -10.373 -26.069 1.00 55.31 C ATOM 907 O THR A 57 -30.104 -11.318 -26.796 1.00 64.23 O ATOM 908 CB THR A 57 -30.332 -8.234 -27.239 1.00 11.33 C ATOM 909 OG1 THR A 57 -30.554 -8.966 -28.449 1.00 64.20 O ATOM 910 CG2 THR A 57 -28.889 -7.756 -27.186 1.00 22.11 C ATOM 0 H THR A 57 -30.079 -7.456 -24.883 1.00 13.12 H new ATOM 0 HA THR A 57 -31.714 -9.400 -26.059 1.00 41.35 H new ATOM 0 HB THR A 57 -30.987 -7.363 -27.217 1.00 11.33 H new ATOM 0 HG1 THR A 57 -30.343 -8.397 -29.219 1.00 64.20 H new ATOM 0 HG21 THR A 57 -28.679 -7.135 -28.057 1.00 22.11 H new ATOM 0 HG22 THR A 57 -28.732 -7.174 -26.278 1.00 22.11 H new ATOM 0 HG23 THR A 57 -28.220 -8.617 -27.185 1.00 22.11 H new ATOM 918 N SER A 58 -28.723 -10.376 -25.290 1.00 64.10 N ATOM 919 CA SER A 58 -27.814 -11.516 -25.247 1.00 1.21 C ATOM 920 C SER A 58 -28.424 -12.668 -24.454 1.00 54.34 C ATOM 921 O SER A 58 -27.987 -13.814 -24.565 1.00 54.54 O ATOM 922 CB SER A 58 -26.477 -11.106 -24.625 1.00 73.03 C ATOM 923 OG SER A 58 -26.119 -11.977 -23.567 1.00 21.24 O ATOM 0 H SER A 58 -28.459 -9.602 -24.680 1.00 64.10 H new ATOM 0 HA SER A 58 -27.644 -11.852 -26.270 1.00 1.21 H new ATOM 0 HB2 SER A 58 -25.699 -11.117 -25.388 1.00 73.03 H new ATOM 0 HB3 SER A 58 -26.544 -10.084 -24.252 1.00 73.03 H new ATOM 0 HG SER A 58 -25.154 -12.147 -23.596 1.00 21.24 H new ATOM 929 N CYS A 59 -29.438 -12.355 -23.654 1.00 1.01 N ATOM 930 CA CYS A 59 -30.110 -13.362 -22.841 1.00 41.33 C ATOM 931 C CYS A 59 -30.816 -14.389 -23.722 1.00 24.02 C ATOM 932 O CYS A 59 -31.087 -15.510 -23.291 1.00 4.33 O ATOM 933 CB CYS A 59 -31.120 -12.699 -21.903 1.00 1.43 C ATOM 934 SG CYS A 59 -32.164 -13.875 -20.983 1.00 40.33 S ATOM 0 H CYS A 59 -29.812 -11.412 -23.551 1.00 1.01 H new ATOM 0 HA CYS A 59 -29.355 -13.876 -22.246 1.00 41.33 H new ATOM 0 HB2 CYS A 59 -30.582 -12.073 -21.191 1.00 1.43 H new ATOM 0 HB3 CYS A 59 -31.762 -12.039 -22.486 1.00 1.43 H new ATOM 939 N SER A 60 -31.110 -13.998 -24.958 1.00 20.33 N ATOM 940 CA SER A 60 -31.787 -14.883 -25.898 1.00 72.33 C ATOM 941 C SER A 60 -31.050 -14.923 -27.234 1.00 32.15 C ATOM 942 O SER A 60 -30.331 -13.989 -27.588 1.00 13.51 O ATOM 943 CB SER A 60 -33.231 -14.425 -26.113 1.00 60.21 C ATOM 944 OG SER A 60 -33.336 -13.015 -26.028 1.00 54.43 O ATOM 0 H SER A 60 -30.890 -13.075 -25.331 1.00 20.33 H new ATOM 0 HA SER A 60 -31.791 -15.887 -25.475 1.00 72.33 H new ATOM 0 HB2 SER A 60 -33.581 -14.761 -27.089 1.00 60.21 H new ATOM 0 HB3 SER A 60 -33.877 -14.887 -25.367 1.00 60.21 H new ATOM 0 HG SER A 60 -34.268 -12.747 -26.171 1.00 54.43 H new ATOM 950 N LYS A 61 -31.234 -16.013 -27.971 1.00 51.22 N ATOM 951 CA LYS A 61 -30.589 -16.177 -29.269 1.00 12.04 C ATOM 952 C LYS A 61 -31.394 -17.116 -30.161 1.00 60.14 C ATOM 953 O LYS A 61 -31.970 -18.096 -29.688 1.00 65.12 O ATOM 954 CB LYS A 61 -29.169 -16.718 -29.090 1.00 62.12 C ATOM 955 CG LYS A 61 -28.131 -15.992 -29.929 1.00 14.44 C ATOM 956 CD LYS A 61 -28.058 -16.556 -31.337 1.00 53.15 C ATOM 957 CE LYS A 61 -27.531 -17.983 -31.340 1.00 14.32 C ATOM 958 NZ LYS A 61 -26.477 -18.183 -32.372 1.00 72.13 N ATOM 0 H LYS A 61 -31.825 -16.796 -27.692 1.00 51.22 H new ATOM 0 HA LYS A 61 -30.541 -15.200 -29.750 1.00 12.04 H new ATOM 0 HB2 LYS A 61 -28.891 -16.644 -28.039 1.00 62.12 H new ATOM 0 HB3 LYS A 61 -29.157 -17.777 -29.349 1.00 62.12 H new ATOM 0 HG2 LYS A 61 -28.376 -14.931 -29.974 1.00 14.44 H new ATOM 0 HG3 LYS A 61 -27.154 -16.074 -29.452 1.00 14.44 H new ATOM 0 HD2 LYS A 61 -29.049 -16.532 -31.791 1.00 53.15 H new ATOM 0 HD3 LYS A 61 -27.411 -15.927 -31.949 1.00 53.15 H new ATOM 0 HE2 LYS A 61 -27.126 -18.223 -30.357 1.00 14.32 H new ATOM 0 HE3 LYS A 61 -28.354 -18.674 -31.523 1.00 14.32 H new ATOM 0 HZ1 LYS A 61 -26.144 -19.168 -32.342 1.00 72.13 H new ATOM 0 HZ2 LYS A 61 -26.870 -17.979 -33.313 1.00 72.13 H new ATOM 0 HZ3 LYS A 61 -25.680 -17.542 -32.183 1.00 72.13 H new ATOM 972 N ASP A 62 -31.429 -16.811 -31.454 1.00 25.12 N ATOM 973 CA ASP A 62 -32.161 -17.630 -32.413 1.00 43.32 C ATOM 974 C ASP A 62 -33.611 -17.813 -31.976 1.00 63.12 C ATOM 975 O ASP A 62 -34.251 -18.808 -32.315 1.00 4.33 O ATOM 976 CB ASP A 62 -31.486 -18.993 -32.572 1.00 34.32 C ATOM 977 CG ASP A 62 -31.654 -19.563 -33.967 1.00 25.13 C ATOM 978 OD1 ASP A 62 -31.634 -18.775 -34.935 1.00 74.21 O ATOM 979 OD2 ASP A 62 -31.804 -20.797 -34.090 1.00 12.10 O ATOM 0 H ASP A 62 -30.959 -16.003 -31.862 1.00 25.12 H new ATOM 0 HA ASP A 62 -32.153 -17.116 -33.374 1.00 43.32 H new ATOM 0 HB2 ASP A 62 -30.424 -18.898 -32.347 1.00 34.32 H new ATOM 0 HB3 ASP A 62 -31.904 -19.689 -31.845 1.00 34.32 H new ATOM 984 N GLY A 63 -34.123 -16.846 -31.221 1.00 22.14 N ATOM 985 CA GLY A 63 -35.493 -16.921 -30.748 1.00 50.45 C ATOM 986 C GLY A 63 -35.648 -17.853 -29.563 1.00 41.41 C ATOM 987 O GLY A 63 -36.724 -18.404 -29.334 1.00 75.22 O ATOM 0 H GLY A 63 -33.614 -16.012 -30.928 1.00 22.14 H new ATOM 0 HA2 GLY A 63 -35.832 -15.924 -30.468 1.00 50.45 H new ATOM 0 HA3 GLY A 63 -36.136 -17.261 -31.560 1.00 50.45 H new ATOM 991 N VAL A 64 -34.569 -18.031 -28.807 1.00 50.33 N ATOM 992 CA VAL A 64 -34.589 -18.903 -27.639 1.00 74.12 C ATOM 993 C VAL A 64 -34.084 -18.174 -26.400 1.00 4.33 C ATOM 994 O VAL A 64 -33.232 -17.290 -26.492 1.00 71.04 O ATOM 995 CB VAL A 64 -33.733 -20.163 -27.865 1.00 32.40 C ATOM 996 CG1 VAL A 64 -32.305 -19.930 -27.395 1.00 73.24 C ATOM 997 CG2 VAL A 64 -34.348 -21.359 -27.154 1.00 34.30 C ATOM 0 H VAL A 64 -33.670 -17.583 -28.983 1.00 50.33 H new ATOM 0 HA VAL A 64 -35.626 -19.200 -27.484 1.00 74.12 H new ATOM 0 HB VAL A 64 -33.708 -20.377 -28.933 1.00 32.40 H new ATOM 0 HG11 VAL A 64 -31.715 -20.831 -27.563 1.00 73.24 H new ATOM 0 HG12 VAL A 64 -31.869 -19.102 -27.953 1.00 73.24 H new ATOM 0 HG13 VAL A 64 -32.306 -19.690 -26.332 1.00 73.24 H new ATOM 0 HG21 VAL A 64 -33.730 -22.241 -27.324 1.00 34.30 H new ATOM 0 HG22 VAL A 64 -34.405 -21.157 -26.084 1.00 34.30 H new ATOM 0 HG23 VAL A 64 -35.350 -21.538 -27.543 1.00 34.30 H new ATOM 1007 N GLN A 65 -34.614 -18.551 -25.241 1.00 4.44 N ATOM 1008 CA GLN A 65 -34.215 -17.932 -23.982 1.00 15.51 C ATOM 1009 C GLN A 65 -33.314 -18.863 -23.178 1.00 74.21 C ATOM 1010 O GLN A 65 -33.496 -20.081 -23.188 1.00 14.20 O ATOM 1011 CB GLN A 65 -35.450 -17.561 -23.158 1.00 71.04 C ATOM 1012 CG GLN A 65 -35.193 -16.467 -22.135 1.00 50.52 C ATOM 1013 CD GLN A 65 -34.944 -17.015 -20.744 1.00 43.11 C ATOM 1014 OE1 GLN A 65 -34.838 -18.227 -20.552 1.00 12.44 O ATOM 1015 NE2 GLN A 65 -34.848 -16.124 -19.764 1.00 40.45 N ATOM 0 H GLN A 65 -35.320 -19.281 -25.147 1.00 4.44 H new ATOM 0 HA GLN A 65 -33.655 -17.026 -24.214 1.00 15.51 H new ATOM 0 HB2 GLN A 65 -36.243 -17.237 -23.833 1.00 71.04 H new ATOM 0 HB3 GLN A 65 -35.813 -18.450 -22.643 1.00 71.04 H new ATOM 0 HG2 GLN A 65 -34.332 -15.877 -22.448 1.00 50.52 H new ATOM 0 HG3 GLN A 65 -36.049 -15.792 -22.108 1.00 50.52 H new ATOM 0 HE21 GLN A 65 -34.942 -15.129 -19.968 1.00 40.45 H new ATOM 0 HE22 GLN A 65 -34.680 -16.435 -18.807 1.00 40.45 H new ATOM 1024 N PHE A 66 -32.342 -18.283 -22.483 1.00 64.10 N ATOM 1025 CA PHE A 66 -31.411 -19.062 -21.674 1.00 43.35 C ATOM 1026 C PHE A 66 -31.822 -19.047 -20.205 1.00 54.13 C ATOM 1027 O PHE A 66 -31.290 -18.276 -19.406 1.00 65.02 O ATOM 1028 CB PHE A 66 -29.990 -18.513 -21.823 1.00 52.23 C ATOM 1029 CG PHE A 66 -29.519 -18.447 -23.248 1.00 53.20 C ATOM 1030 CD1 PHE A 66 -29.730 -19.510 -24.111 1.00 53.12 C ATOM 1031 CD2 PHE A 66 -28.866 -17.322 -23.724 1.00 51.53 C ATOM 1032 CE1 PHE A 66 -29.297 -19.452 -25.422 1.00 52.03 C ATOM 1033 CE2 PHE A 66 -28.431 -17.258 -25.035 1.00 11.33 C ATOM 1034 CZ PHE A 66 -28.648 -18.324 -25.885 1.00 61.10 C ATOM 0 H PHE A 66 -32.178 -17.276 -22.463 1.00 64.10 H new ATOM 0 HA PHE A 66 -31.435 -20.092 -22.029 1.00 43.35 H new ATOM 0 HB2 PHE A 66 -29.947 -17.514 -21.388 1.00 52.23 H new ATOM 0 HB3 PHE A 66 -29.305 -19.139 -21.251 1.00 52.23 H new ATOM 0 HD1 PHE A 66 -30.239 -20.394 -23.755 1.00 53.12 H new ATOM 0 HD2 PHE A 66 -28.695 -16.485 -23.063 1.00 51.53 H new ATOM 0 HE1 PHE A 66 -29.466 -20.288 -26.084 1.00 52.03 H new ATOM 0 HE2 PHE A 66 -27.922 -16.375 -25.393 1.00 11.33 H new ATOM 0 HZ PHE A 66 -28.311 -18.276 -26.910 1.00 61.10 H new ATOM 1044 N THR A 67 -32.776 -19.905 -19.855 1.00 40.23 N ATOM 1045 CA THR A 67 -33.261 -19.990 -18.484 1.00 35.12 C ATOM 1046 C THR A 67 -32.152 -20.425 -17.534 1.00 25.03 C ATOM 1047 O THR A 67 -32.266 -20.269 -16.319 1.00 34.14 O ATOM 1048 CB THR A 67 -34.439 -20.976 -18.365 1.00 60.11 C ATOM 1049 OG1 THR A 67 -34.214 -22.112 -19.207 1.00 43.04 O ATOM 1050 CG2 THR A 67 -35.748 -20.304 -18.750 1.00 73.35 C ATOM 0 H THR A 67 -33.228 -20.551 -20.503 1.00 40.23 H new ATOM 0 HA THR A 67 -33.602 -18.992 -18.207 1.00 35.12 H new ATOM 0 HB THR A 67 -34.508 -21.302 -17.327 1.00 60.11 H new ATOM 0 HG1 THR A 67 -34.966 -22.735 -19.124 1.00 43.04 H new ATOM 0 HG21 THR A 67 -36.565 -21.020 -18.658 1.00 73.35 H new ATOM 0 HG22 THR A 67 -35.931 -19.458 -18.088 1.00 73.35 H new ATOM 0 HG23 THR A 67 -35.687 -19.953 -19.780 1.00 73.35 H new ATOM 1058 N GLU A 68 -31.077 -20.970 -18.096 1.00 33.30 N ATOM 1059 CA GLU A 68 -29.947 -21.428 -17.297 1.00 3.42 C ATOM 1060 C GLU A 68 -29.167 -20.245 -16.730 1.00 13.53 C ATOM 1061 O GLU A 68 -28.902 -19.269 -17.430 1.00 43.15 O ATOM 1062 CB GLU A 68 -29.020 -22.306 -18.140 1.00 2.02 C ATOM 1063 CG GLU A 68 -29.715 -23.509 -18.756 1.00 1.52 C ATOM 1064 CD GLU A 68 -28.937 -24.102 -19.914 1.00 62.11 C ATOM 1065 OE1 GLU A 68 -29.034 -23.560 -21.035 1.00 32.12 O ATOM 1066 OE2 GLU A 68 -28.230 -25.109 -19.699 1.00 60.10 O ATOM 0 H GLU A 68 -30.965 -21.105 -19.101 1.00 33.30 H new ATOM 0 HA GLU A 68 -30.337 -22.016 -16.466 1.00 3.42 H new ATOM 0 HB2 GLU A 68 -28.585 -21.701 -18.936 1.00 2.02 H new ATOM 0 HB3 GLU A 68 -28.196 -22.653 -17.517 1.00 2.02 H new ATOM 0 HG2 GLU A 68 -29.859 -24.272 -17.991 1.00 1.52 H new ATOM 0 HG3 GLU A 68 -30.706 -23.214 -19.102 1.00 1.52 H new ATOM 1073 N GLY A 69 -28.804 -20.339 -15.454 1.00 71.21 N ATOM 1074 CA GLY A 69 -28.060 -19.271 -14.813 1.00 42.25 C ATOM 1075 C GLY A 69 -26.608 -19.234 -15.249 1.00 12.45 C ATOM 1076 O GLY A 69 -26.153 -20.103 -15.992 1.00 43.02 O ATOM 0 H GLY A 69 -29.012 -21.136 -14.853 1.00 71.21 H new ATOM 0 HA2 GLY A 69 -28.530 -18.315 -15.044 1.00 42.25 H new ATOM 0 HA3 GLY A 69 -28.108 -19.397 -13.731 1.00 42.25 H new ATOM 1080 N CYS A 70 -25.879 -18.224 -14.786 1.00 12.51 N ATOM 1081 CA CYS A 70 -24.471 -18.074 -15.133 1.00 32.21 C ATOM 1082 C CYS A 70 -23.578 -18.674 -14.051 1.00 3.43 C ATOM 1083 O CYS A 70 -22.540 -19.267 -14.347 1.00 34.44 O ATOM 1084 CB CYS A 70 -24.128 -16.597 -15.333 1.00 5.20 C ATOM 1085 SG CYS A 70 -24.592 -15.940 -16.968 1.00 24.24 S ATOM 0 H CYS A 70 -26.241 -17.497 -14.169 1.00 12.51 H new ATOM 0 HA CYS A 70 -24.293 -18.610 -16.065 1.00 32.21 H new ATOM 0 HB2 CYS A 70 -24.629 -16.011 -14.562 1.00 5.20 H new ATOM 0 HB3 CYS A 70 -23.056 -16.461 -15.190 1.00 5.20 H new ATOM 1090 N ILE A 71 -23.988 -18.514 -12.797 1.00 51.31 N ATOM 1091 CA ILE A 71 -23.226 -19.040 -11.671 1.00 51.15 C ATOM 1092 C ILE A 71 -23.166 -20.563 -11.712 1.00 62.15 C ATOM 1093 O ILE A 71 -22.143 -21.164 -11.382 1.00 74.45 O ATOM 1094 CB ILE A 71 -23.831 -18.597 -10.326 1.00 71.41 C ATOM 1095 CG1 ILE A 71 -23.841 -17.071 -10.224 1.00 53.32 C ATOM 1096 CG2 ILE A 71 -23.052 -19.206 -9.169 1.00 51.44 C ATOM 1097 CD1 ILE A 71 -24.954 -16.531 -9.353 1.00 3.31 C ATOM 0 H ILE A 71 -24.844 -18.024 -12.535 1.00 51.31 H new ATOM 0 HA ILE A 71 -22.217 -18.637 -11.756 1.00 51.15 H new ATOM 0 HB ILE A 71 -24.860 -18.952 -10.273 1.00 71.41 H new ATOM 0 HG12 ILE A 71 -22.884 -16.735 -9.826 1.00 53.32 H new ATOM 0 HG13 ILE A 71 -23.936 -16.649 -11.224 1.00 53.32 H new ATOM 0 HG21 ILE A 71 -23.491 -18.884 -8.225 1.00 51.44 H new ATOM 0 HG22 ILE A 71 -23.092 -20.293 -9.236 1.00 51.44 H new ATOM 0 HG23 ILE A 71 -22.014 -18.878 -9.217 1.00 51.44 H new ATOM 0 HD11 ILE A 71 -24.900 -15.443 -9.326 1.00 3.31 H new ATOM 0 HD12 ILE A 71 -25.917 -16.836 -9.762 1.00 3.31 H new ATOM 0 HD13 ILE A 71 -24.848 -16.924 -8.342 1.00 3.31 H new ATOM 1109 N LYS A 72 -24.268 -21.182 -12.122 1.00 21.55 N ATOM 1110 CA LYS A 72 -24.341 -22.636 -12.210 1.00 33.03 C ATOM 1111 C LYS A 72 -23.666 -23.139 -13.482 1.00 14.32 C ATOM 1112 O LYS A 72 -23.079 -24.221 -13.500 1.00 3.55 O ATOM 1113 CB LYS A 72 -25.800 -23.096 -12.178 1.00 34.43 C ATOM 1114 CG LYS A 72 -26.414 -23.078 -10.788 1.00 42.22 C ATOM 1115 CD LYS A 72 -27.926 -22.946 -10.848 1.00 73.01 C ATOM 1116 CE LYS A 72 -28.531 -22.825 -9.458 1.00 3.54 C ATOM 1117 NZ LYS A 72 -28.237 -24.019 -8.619 1.00 25.13 N ATOM 0 H LYS A 72 -25.123 -20.699 -12.399 1.00 21.55 H new ATOM 0 HA LYS A 72 -23.815 -23.054 -11.352 1.00 33.03 H new ATOM 0 HB2 LYS A 72 -26.389 -22.455 -12.834 1.00 34.43 H new ATOM 0 HB3 LYS A 72 -25.862 -24.107 -12.580 1.00 34.43 H new ATOM 0 HG2 LYS A 72 -26.149 -23.994 -10.260 1.00 42.22 H new ATOM 0 HG3 LYS A 72 -25.998 -22.249 -10.216 1.00 42.22 H new ATOM 0 HD2 LYS A 72 -28.193 -22.070 -11.439 1.00 73.01 H new ATOM 0 HD3 LYS A 72 -28.348 -23.814 -11.355 1.00 73.01 H new ATOM 0 HE2 LYS A 72 -28.141 -21.932 -8.969 1.00 3.54 H new ATOM 0 HE3 LYS A 72 -29.610 -22.697 -9.542 1.00 3.54 H new ATOM 0 HZ1 LYS A 72 -28.802 -23.978 -7.747 1.00 25.13 H new ATOM 0 HZ2 LYS A 72 -28.478 -24.882 -9.147 1.00 25.13 H new ATOM 0 HZ3 LYS A 72 -27.226 -24.032 -8.376 1.00 25.13 H new ATOM 1131 N LYS A 73 -23.753 -22.346 -14.545 1.00 30.32 N ATOM 1132 CA LYS A 73 -23.149 -22.709 -15.821 1.00 44.23 C ATOM 1133 C LYS A 73 -21.628 -22.757 -15.709 1.00 51.32 C ATOM 1134 O LYS A 73 -20.986 -23.672 -16.225 1.00 51.30 O ATOM 1135 CB LYS A 73 -23.560 -21.710 -16.906 1.00 24.15 C ATOM 1136 CG LYS A 73 -24.820 -22.108 -17.653 1.00 72.52 C ATOM 1137 CD LYS A 73 -24.503 -22.983 -18.855 1.00 31.25 C ATOM 1138 CE LYS A 73 -24.322 -24.439 -18.452 1.00 13.20 C ATOM 1139 NZ LYS A 73 -24.672 -25.369 -19.561 1.00 50.43 N ATOM 0 H LYS A 73 -24.236 -21.448 -14.548 1.00 30.32 H new ATOM 0 HA LYS A 73 -23.507 -23.701 -16.095 1.00 44.23 H new ATOM 0 HB2 LYS A 73 -23.712 -20.732 -16.449 1.00 24.15 H new ATOM 0 HB3 LYS A 73 -22.743 -21.605 -17.619 1.00 24.15 H new ATOM 0 HG2 LYS A 73 -25.490 -22.642 -16.979 1.00 72.52 H new ATOM 0 HG3 LYS A 73 -25.347 -21.213 -17.983 1.00 72.52 H new ATOM 0 HD2 LYS A 73 -25.307 -22.904 -19.586 1.00 31.25 H new ATOM 0 HD3 LYS A 73 -23.595 -22.623 -19.339 1.00 31.25 H new ATOM 0 HE2 LYS A 73 -23.288 -24.606 -18.150 1.00 13.20 H new ATOM 0 HE3 LYS A 73 -24.946 -24.656 -17.585 1.00 13.20 H new ATOM 0 HZ1 LYS A 73 -24.535 -26.351 -19.247 1.00 50.43 H new ATOM 0 HZ2 LYS A 73 -25.666 -25.227 -19.832 1.00 50.43 H new ATOM 0 HZ3 LYS A 73 -24.059 -25.179 -20.380 1.00 50.43 H new