USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 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 38 GLN : amide:sc= -0.195 K(o=0.72,f=-8.7!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 167:sc= 0.912 (180deg=0) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.612 K(o=-1.7,f=-6.2!) USER MOD Set 2.2: A 58 SER OG : rot 22:sc= -1.07 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00566) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.621 USER MOD Single : A 25 ASN : amide:sc= -0.813 K(o=-0.81,f=-0.035) USER MOD Single : A 28 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.019) USER MOD Single : A 47 SER OG : rot 180:sc= -0.121 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -27:sc= 0.0623 USER MOD Single : A 54 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.37) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.276 K(o=-0.28,f=-2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.073) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.704 -11.934 -10.711 1.00 20.50 N ATOM 239 CA LEU A 16 -21.914 -12.039 -11.520 1.00 24.24 C ATOM 240 C LEU A 16 -23.098 -11.385 -10.815 1.00 61.01 C ATOM 241 O LEU A 16 -23.887 -10.672 -11.436 1.00 31.24 O ATOM 242 CB LEU A 16 -22.228 -13.507 -11.814 1.00 52.14 C ATOM 243 CG LEU A 16 -22.081 -13.945 -13.272 1.00 33.21 C ATOM 244 CD1 LEU A 16 -20.680 -13.646 -13.780 1.00 64.55 C ATOM 245 CD2 LEU A 16 -22.399 -15.426 -13.418 1.00 75.12 C ATOM 0 HA LEU A 16 -21.740 -11.516 -12.460 1.00 24.24 H new ATOM 0 HB2 LEU A 16 -21.574 -14.128 -11.201 1.00 52.14 H new ATOM 0 HB3 LEU A 16 -23.251 -13.710 -11.496 1.00 52.14 H new ATOM 0 HG LEU A 16 -22.792 -13.380 -13.875 1.00 33.21 H new ATOM 0 HD11 LEU A 16 -20.594 -13.964 -14.819 1.00 64.55 H new ATOM 0 HD12 LEU A 16 -20.489 -12.575 -13.712 1.00 64.55 H new ATOM 0 HD13 LEU A 16 -19.951 -14.184 -13.174 1.00 64.55 H new ATOM 0 HD21 LEU A 16 -22.289 -15.721 -14.462 1.00 75.12 H new ATOM 0 HD22 LEU A 16 -21.713 -16.008 -12.803 1.00 75.12 H new ATOM 0 HD23 LEU A 16 -23.423 -15.612 -13.094 1.00 75.12 H new ATOM 257 N LYS A 17 -23.215 -11.630 -9.515 1.00 31.44 N ATOM 258 CA LYS A 17 -24.300 -11.063 -8.723 1.00 74.12 C ATOM 259 C LYS A 17 -24.339 -9.545 -8.862 1.00 2.41 C ATOM 260 O LYS A 17 -25.409 -8.949 -8.993 1.00 23.43 O ATOM 261 CB LYS A 17 -24.140 -11.447 -7.251 1.00 33.44 C ATOM 262 CG LYS A 17 -24.914 -12.695 -6.860 1.00 1.21 C ATOM 263 CD LYS A 17 -26.414 -12.455 -6.895 1.00 42.43 C ATOM 264 CE LYS A 17 -27.121 -13.176 -5.758 1.00 62.43 C ATOM 265 NZ LYS A 17 -27.268 -12.309 -4.557 1.00 3.21 N ATOM 0 H LYS A 17 -22.571 -12.218 -8.986 1.00 31.44 H new ATOM 0 HA LYS A 17 -25.240 -11.469 -9.097 1.00 74.12 H new ATOM 0 HB2 LYS A 17 -23.083 -11.604 -7.038 1.00 33.44 H new ATOM 0 HB3 LYS A 17 -24.470 -10.615 -6.629 1.00 33.44 H new ATOM 0 HG2 LYS A 17 -24.659 -13.510 -7.538 1.00 1.21 H new ATOM 0 HG3 LYS A 17 -24.618 -13.009 -5.859 1.00 1.21 H new ATOM 0 HD2 LYS A 17 -26.614 -11.386 -6.829 1.00 42.43 H new ATOM 0 HD3 LYS A 17 -26.816 -12.796 -7.849 1.00 42.43 H new ATOM 0 HE2 LYS A 17 -28.106 -13.503 -6.092 1.00 62.43 H new ATOM 0 HE3 LYS A 17 -26.560 -14.072 -5.492 1.00 62.43 H new ATOM 0 HZ1 LYS A 17 -27.755 -12.837 -3.805 1.00 3.21 H new ATOM 0 HZ2 LYS A 17 -26.328 -12.017 -4.222 1.00 3.21 H new ATOM 0 HZ3 LYS A 17 -27.825 -11.466 -4.804 1.00 3.21 H new ATOM 279 N LYS A 18 -23.165 -8.923 -8.834 1.00 40.41 N ATOM 280 CA LYS A 18 -23.063 -7.474 -8.959 1.00 52.55 C ATOM 281 C LYS A 18 -23.177 -7.044 -10.419 1.00 20.42 C ATOM 282 O LYS A 18 -23.733 -5.988 -10.724 1.00 62.55 O ATOM 283 CB LYS A 18 -21.737 -6.982 -8.374 1.00 72.33 C ATOM 284 CG LYS A 18 -21.795 -6.709 -6.881 1.00 54.03 C ATOM 285 CD LYS A 18 -20.404 -6.583 -6.283 1.00 14.11 C ATOM 286 CE LYS A 18 -19.792 -7.947 -6.003 1.00 53.12 C ATOM 287 NZ LYS A 18 -18.553 -7.841 -5.184 1.00 70.42 N ATOM 0 H LYS A 18 -22.270 -9.400 -8.726 1.00 40.41 H new ATOM 0 HA LYS A 18 -23.887 -7.028 -8.401 1.00 52.55 H new ATOM 0 HB2 LYS A 18 -20.965 -7.726 -8.569 1.00 72.33 H new ATOM 0 HB3 LYS A 18 -21.438 -6.070 -8.890 1.00 72.33 H new ATOM 0 HG2 LYS A 18 -22.355 -5.791 -6.699 1.00 54.03 H new ATOM 0 HG3 LYS A 18 -22.334 -7.515 -6.383 1.00 54.03 H new ATOM 0 HD2 LYS A 18 -19.762 -6.028 -6.967 1.00 14.11 H new ATOM 0 HD3 LYS A 18 -20.455 -6.009 -5.358 1.00 14.11 H new ATOM 0 HE2 LYS A 18 -20.519 -8.571 -5.483 1.00 53.12 H new ATOM 0 HE3 LYS A 18 -19.563 -8.443 -6.946 1.00 53.12 H new ATOM 0 HZ1 LYS A 18 -18.166 -8.791 -5.015 1.00 70.42 H new ATOM 0 HZ2 LYS A 18 -17.850 -7.266 -5.691 1.00 70.42 H new ATOM 0 HZ3 LYS A 18 -18.776 -7.391 -4.273 1.00 70.42 H new ATOM 301 N LEU A 19 -22.649 -7.869 -11.316 1.00 61.41 N ATOM 302 CA LEU A 19 -22.693 -7.576 -12.744 1.00 43.24 C ATOM 303 C LEU A 19 -24.126 -7.330 -13.206 1.00 64.01 C ATOM 304 O LEU A 19 -24.427 -6.300 -13.810 1.00 25.05 O ATOM 305 CB LEU A 19 -22.079 -8.728 -13.541 1.00 63.30 C ATOM 306 CG LEU A 19 -20.641 -8.523 -14.019 1.00 2.12 C ATOM 307 CD1 LEU A 19 -19.981 -9.860 -14.318 1.00 34.33 C ATOM 308 CD2 LEU A 19 -20.610 -7.625 -15.247 1.00 11.31 C ATOM 0 H LEU A 19 -22.185 -8.746 -11.080 1.00 61.41 H new ATOM 0 HA LEU A 19 -22.113 -6.670 -12.921 1.00 43.24 H new ATOM 0 HB2 LEU A 19 -22.111 -9.627 -12.925 1.00 63.30 H new ATOM 0 HB3 LEU A 19 -22.707 -8.916 -14.412 1.00 63.30 H new ATOM 0 HG LEU A 19 -20.080 -8.035 -13.222 1.00 2.12 H new ATOM 0 HD11 LEU A 19 -18.958 -9.693 -14.657 1.00 34.33 H new ATOM 0 HD12 LEU A 19 -19.969 -10.470 -13.415 1.00 34.33 H new ATOM 0 HD13 LEU A 19 -20.542 -10.376 -15.097 1.00 34.33 H new ATOM 0 HD21 LEU A 19 -19.579 -7.490 -15.573 1.00 11.31 H new ATOM 0 HD22 LEU A 19 -21.187 -8.085 -16.049 1.00 11.31 H new ATOM 0 HD23 LEU A 19 -21.042 -6.655 -15.000 1.00 11.31 H new ATOM 320 N VAL A 20 -25.007 -8.282 -12.917 1.00 22.25 N ATOM 321 CA VAL A 20 -26.409 -8.168 -13.299 1.00 11.11 C ATOM 322 C VAL A 20 -27.032 -6.897 -12.731 1.00 62.50 C ATOM 323 O VAL A 20 -27.982 -6.354 -13.295 1.00 4.31 O ATOM 324 CB VAL A 20 -27.223 -9.384 -12.818 1.00 62.35 C ATOM 325 CG1 VAL A 20 -27.420 -9.334 -11.311 1.00 42.51 C ATOM 326 CG2 VAL A 20 -28.562 -9.447 -13.538 1.00 2.23 C ATOM 0 H VAL A 20 -24.774 -9.141 -12.419 1.00 22.25 H new ATOM 0 HA VAL A 20 -26.438 -8.129 -14.388 1.00 11.11 H new ATOM 0 HB VAL A 20 -26.665 -10.290 -13.056 1.00 62.35 H new ATOM 0 HG11 VAL A 20 -27.997 -10.201 -10.991 1.00 42.51 H new ATOM 0 HG12 VAL A 20 -26.449 -9.342 -10.817 1.00 42.51 H new ATOM 0 HG13 VAL A 20 -27.956 -8.423 -11.044 1.00 42.51 H new ATOM 0 HG21 VAL A 20 -29.124 -10.312 -13.186 1.00 2.23 H new ATOM 0 HG22 VAL A 20 -29.128 -8.538 -13.333 1.00 2.23 H new ATOM 0 HG23 VAL A 20 -28.394 -9.536 -14.611 1.00 2.23 H new ATOM 336 N ASP A 21 -26.490 -6.429 -11.612 1.00 73.11 N ATOM 337 CA ASP A 21 -26.991 -5.221 -10.968 1.00 14.34 C ATOM 338 C ASP A 21 -26.478 -3.973 -11.679 1.00 4.44 C ATOM 339 O ASP A 21 -27.111 -2.918 -11.640 1.00 0.50 O ATOM 340 CB ASP A 21 -26.576 -5.192 -9.496 1.00 2.00 C ATOM 341 CG ASP A 21 -27.141 -3.994 -8.758 1.00 32.50 C ATOM 342 OD1 ASP A 21 -28.381 -3.893 -8.656 1.00 14.54 O ATOM 343 OD2 ASP A 21 -26.343 -3.159 -8.283 1.00 54.34 O ATOM 0 H ASP A 21 -25.704 -6.868 -11.132 1.00 73.11 H new ATOM 0 HA ASP A 21 -28.079 -5.231 -11.030 1.00 14.34 H new ATOM 0 HB2 ASP A 21 -26.913 -6.107 -9.009 1.00 2.00 H new ATOM 0 HB3 ASP A 21 -25.488 -5.177 -9.429 1.00 2.00 H new ATOM 348 N LYS A 22 -25.325 -4.100 -12.327 1.00 3.42 N ATOM 349 CA LYS A 22 -24.724 -2.983 -13.047 1.00 73.11 C ATOM 350 C LYS A 22 -24.755 -3.227 -14.552 1.00 62.45 C ATOM 351 O LYS A 22 -23.917 -2.710 -15.292 1.00 71.40 O ATOM 352 CB LYS A 22 -23.282 -2.767 -12.584 1.00 22.11 C ATOM 353 CG LYS A 22 -23.150 -2.551 -11.086 1.00 62.42 C ATOM 354 CD LYS A 22 -21.868 -3.163 -10.546 1.00 33.35 C ATOM 355 CE LYS A 22 -22.005 -3.537 -9.078 1.00 34.34 C ATOM 356 NZ LYS A 22 -22.219 -2.340 -8.218 1.00 24.22 N ATOM 0 H LYS A 22 -24.788 -4.966 -12.368 1.00 3.42 H new ATOM 0 HA LYS A 22 -25.306 -2.088 -12.829 1.00 73.11 H new ATOM 0 HB2 LYS A 22 -22.683 -3.631 -12.872 1.00 22.11 H new ATOM 0 HB3 LYS A 22 -22.867 -1.904 -13.105 1.00 22.11 H new ATOM 0 HG2 LYS A 22 -23.164 -1.483 -10.869 1.00 62.42 H new ATOM 0 HG3 LYS A 22 -24.007 -2.991 -10.577 1.00 62.42 H new ATOM 0 HD2 LYS A 22 -21.614 -4.050 -11.127 1.00 33.35 H new ATOM 0 HD3 LYS A 22 -21.047 -2.457 -10.668 1.00 33.35 H new ATOM 0 HE2 LYS A 22 -22.840 -4.226 -8.955 1.00 34.34 H new ATOM 0 HE3 LYS A 22 -21.108 -4.063 -8.752 1.00 34.34 H new ATOM 0 HZ1 LYS A 22 -22.257 -2.632 -7.220 1.00 24.22 H new ATOM 0 HZ2 LYS A 22 -21.435 -1.670 -8.354 1.00 24.22 H new ATOM 0 HZ3 LYS A 22 -23.115 -1.881 -8.479 1.00 24.22 H new ATOM 370 N TYR A 23 -25.725 -4.016 -14.999 1.00 74.45 N ATOM 371 CA TYR A 23 -25.864 -4.330 -16.417 1.00 11.52 C ATOM 372 C TYR A 23 -26.135 -3.067 -17.230 1.00 33.24 C ATOM 373 O TYR A 23 -25.551 -2.864 -18.294 1.00 54.41 O ATOM 374 CB TYR A 23 -26.994 -5.339 -16.629 1.00 45.14 C ATOM 375 CG TYR A 23 -27.238 -5.677 -18.083 1.00 0.23 C ATOM 376 CD1 TYR A 23 -26.562 -6.724 -18.696 1.00 24.41 C ATOM 377 CD2 TYR A 23 -28.144 -4.948 -18.843 1.00 73.30 C ATOM 378 CE1 TYR A 23 -26.781 -7.036 -20.024 1.00 30.43 C ATOM 379 CE2 TYR A 23 -28.371 -5.254 -20.171 1.00 32.11 C ATOM 380 CZ TYR A 23 -27.687 -6.299 -20.757 1.00 11.23 C ATOM 381 OH TYR A 23 -27.909 -6.606 -22.080 1.00 13.34 O ATOM 0 H TYR A 23 -26.427 -4.450 -14.400 1.00 74.45 H new ATOM 0 HA TYR A 23 -24.927 -4.767 -16.760 1.00 11.52 H new ATOM 0 HB2 TYR A 23 -26.759 -6.255 -16.086 1.00 45.14 H new ATOM 0 HB3 TYR A 23 -27.912 -4.940 -16.198 1.00 45.14 H new ATOM 0 HD1 TYR A 23 -25.853 -7.304 -18.125 1.00 24.41 H new ATOM 0 HD2 TYR A 23 -28.680 -4.128 -18.388 1.00 73.30 H new ATOM 0 HE1 TYR A 23 -26.246 -7.853 -20.485 1.00 30.43 H new ATOM 0 HE2 TYR A 23 -29.080 -4.678 -20.747 1.00 32.11 H new ATOM 0 HH TYR A 23 -28.577 -5.992 -22.451 1.00 13.34 H new ATOM 391 N ARG A 24 -27.025 -2.222 -16.719 1.00 31.41 N ATOM 392 CA ARG A 24 -27.375 -0.980 -17.396 1.00 52.23 C ATOM 393 C ARG A 24 -26.476 0.163 -16.935 1.00 2.13 C ATOM 394 O ARG A 24 -26.475 1.243 -17.525 1.00 32.52 O ATOM 395 CB ARG A 24 -28.841 -0.627 -17.135 1.00 63.23 C ATOM 396 CG ARG A 24 -29.812 -1.725 -17.536 1.00 31.40 C ATOM 397 CD ARG A 24 -30.046 -2.705 -16.397 1.00 31.13 C ATOM 398 NE ARG A 24 -31.426 -2.671 -15.920 1.00 72.14 N ATOM 399 CZ ARG A 24 -32.453 -3.163 -16.606 1.00 5.52 C ATOM 400 NH1 ARG A 24 -32.255 -3.723 -17.791 1.00 21.00 N ATOM 401 NH2 ARG A 24 -33.680 -3.094 -16.105 1.00 64.35 N ATOM 0 H ARG A 24 -27.516 -2.375 -15.838 1.00 31.41 H new ATOM 0 HA ARG A 24 -27.228 -1.126 -18.466 1.00 52.23 H new ATOM 0 HB2 ARG A 24 -28.970 -0.409 -16.075 1.00 63.23 H new ATOM 0 HB3 ARG A 24 -29.090 0.283 -17.681 1.00 63.23 H new ATOM 0 HG2 ARG A 24 -30.761 -1.281 -17.836 1.00 31.40 H new ATOM 0 HG3 ARG A 24 -29.422 -2.259 -18.402 1.00 31.40 H new ATOM 0 HD2 ARG A 24 -29.803 -3.714 -16.731 1.00 31.13 H new ATOM 0 HD3 ARG A 24 -29.372 -2.471 -15.573 1.00 31.13 H new ATOM 0 HE ARG A 24 -31.612 -2.247 -15.011 1.00 72.14 H new ATOM 0 HH11 ARG A 24 -31.313 -3.777 -18.178 1.00 21.00 H new ATOM 0 HH12 ARG A 24 -33.045 -4.100 -18.315 1.00 21.00 H new ATOM 0 HH21 ARG A 24 -33.835 -2.663 -15.193 1.00 64.35 H new ATOM 0 HH22 ARG A 24 -34.468 -3.472 -16.632 1.00 64.35 H new ATOM 415 N ASN A 25 -25.712 -0.083 -15.875 1.00 42.23 N ATOM 416 CA ASN A 25 -24.809 0.926 -15.334 1.00 4.04 C ATOM 417 C ASN A 25 -23.641 1.177 -16.283 1.00 50.01 C ATOM 418 O ASN A 25 -23.229 2.319 -16.488 1.00 64.21 O ATOM 419 CB ASN A 25 -24.283 0.488 -13.965 1.00 63.33 C ATOM 420 CG ASN A 25 -25.280 0.747 -12.852 1.00 44.54 C ATOM 421 OD1 ASN A 25 -24.994 1.483 -11.907 1.00 50.04 O ATOM 422 ND2 ASN A 25 -26.457 0.143 -12.960 1.00 21.31 N ATOM 0 H ASN A 25 -25.701 -0.972 -15.374 1.00 42.23 H new ATOM 0 HA ASN A 25 -25.368 1.855 -15.221 1.00 4.04 H new ATOM 0 HB2 ASN A 25 -24.043 -0.575 -13.994 1.00 63.33 H new ATOM 0 HB3 ASN A 25 -23.355 1.018 -13.749 1.00 63.33 H new ATOM 0 HD21 ASN A 25 -27.168 0.280 -12.242 1.00 21.31 H new ATOM 0 HD22 ASN A 25 -26.650 -0.458 -13.761 1.00 21.31 H new ATOM 429 N ASP A 26 -23.114 0.103 -16.860 1.00 25.11 N ATOM 430 CA ASP A 26 -21.994 0.206 -17.789 1.00 75.03 C ATOM 431 C ASP A 26 -22.315 -0.495 -19.106 1.00 12.12 C ATOM 432 O ASP A 26 -22.801 -1.625 -19.115 1.00 61.42 O ATOM 433 CB ASP A 26 -20.733 -0.397 -17.170 1.00 65.04 C ATOM 434 CG ASP A 26 -19.968 0.602 -16.324 1.00 52.35 C ATOM 435 OD1 ASP A 26 -19.701 1.717 -16.820 1.00 61.31 O ATOM 436 OD2 ASP A 26 -19.637 0.270 -15.167 1.00 64.41 O ATOM 0 H ASP A 26 -23.444 -0.849 -16.701 1.00 25.11 H new ATOM 0 HA ASP A 26 -21.819 1.262 -17.993 1.00 75.03 H new ATOM 0 HB2 ASP A 26 -21.008 -1.254 -16.555 1.00 65.04 H new ATOM 0 HB3 ASP A 26 -20.084 -0.769 -17.963 1.00 65.04 H new ATOM 441 N GLU A 27 -22.041 0.185 -20.215 1.00 1.23 N ATOM 442 CA GLU A 27 -22.303 -0.372 -21.536 1.00 65.54 C ATOM 443 C GLU A 27 -21.425 -1.594 -21.795 1.00 44.52 C ATOM 444 O GLU A 27 -21.891 -2.609 -22.312 1.00 31.30 O ATOM 445 CB GLU A 27 -22.059 0.683 -22.617 1.00 64.10 C ATOM 446 CG GLU A 27 -20.665 1.286 -22.575 1.00 43.30 C ATOM 447 CD GLU A 27 -20.624 2.699 -23.124 1.00 42.20 C ATOM 448 OE1 GLU A 27 -21.178 2.927 -24.220 1.00 23.13 O ATOM 449 OE2 GLU A 27 -20.038 3.577 -22.457 1.00 4.41 O ATOM 0 H GLU A 27 -21.638 1.122 -20.224 1.00 1.23 H new ATOM 0 HA GLU A 27 -23.347 -0.682 -21.571 1.00 65.54 H new ATOM 0 HB2 GLU A 27 -22.221 0.232 -23.596 1.00 64.10 H new ATOM 0 HB3 GLU A 27 -22.794 1.480 -22.507 1.00 64.10 H new ATOM 0 HG2 GLU A 27 -20.306 1.289 -21.546 1.00 43.30 H new ATOM 0 HG3 GLU A 27 -19.984 0.657 -23.149 1.00 43.30 H new ATOM 456 N HIS A 28 -20.150 -1.486 -21.433 1.00 32.43 N ATOM 457 CA HIS A 28 -19.206 -2.581 -21.625 1.00 61.23 C ATOM 458 C HIS A 28 -19.706 -3.855 -20.950 1.00 4.33 C ATOM 459 O HIS A 28 -19.408 -4.963 -21.394 1.00 60.55 O ATOM 460 CB HIS A 28 -17.832 -2.201 -21.071 1.00 73.54 C ATOM 461 CG HIS A 28 -17.035 -1.330 -21.992 1.00 54.42 C ATOM 462 ND1 HIS A 28 -15.715 -1.003 -21.765 1.00 30.52 N ATOM 463 CD2 HIS A 28 -17.379 -0.716 -23.149 1.00 60.50 C ATOM 464 CE1 HIS A 28 -15.281 -0.226 -22.741 1.00 35.01 C ATOM 465 NE2 HIS A 28 -16.272 -0.037 -23.594 1.00 62.02 N ATOM 0 H HIS A 28 -19.747 -0.652 -21.006 1.00 32.43 H new ATOM 0 HA HIS A 28 -19.118 -2.769 -22.695 1.00 61.23 H new ATOM 0 HB2 HIS A 28 -17.963 -1.686 -20.120 1.00 73.54 H new ATOM 0 HB3 HIS A 28 -17.268 -3.111 -20.866 1.00 73.54 H new ATOM 0 HD2 HIS A 28 -18.344 -0.754 -23.632 1.00 60.50 H new ATOM 0 HE1 HIS A 28 -14.286 0.185 -22.827 1.00 35.01 H new ATOM 0 HE2 HIS A 28 -16.223 0.523 -24.445 1.00 62.02 H new ATOM 474 N VAL A 29 -20.466 -3.688 -19.872 1.00 71.13 N ATOM 475 CA VAL A 29 -21.007 -4.824 -19.135 1.00 53.15 C ATOM 476 C VAL A 29 -22.119 -5.510 -19.922 1.00 24.02 C ATOM 477 O VAL A 29 -22.283 -6.728 -19.850 1.00 63.04 O ATOM 478 CB VAL A 29 -21.556 -4.392 -17.763 1.00 30.35 C ATOM 479 CG1 VAL A 29 -22.224 -5.565 -17.062 1.00 34.23 C ATOM 480 CG2 VAL A 29 -20.443 -3.811 -16.903 1.00 54.24 C ATOM 0 H VAL A 29 -20.721 -2.777 -19.490 1.00 71.13 H new ATOM 0 HA VAL A 29 -20.186 -5.525 -18.985 1.00 53.15 H new ATOM 0 HB VAL A 29 -22.306 -3.617 -17.919 1.00 30.35 H new ATOM 0 HG11 VAL A 29 -22.606 -5.241 -16.094 1.00 34.23 H new ATOM 0 HG12 VAL A 29 -23.049 -5.932 -17.673 1.00 34.23 H new ATOM 0 HG13 VAL A 29 -21.497 -6.364 -16.916 1.00 34.23 H new ATOM 0 HG21 VAL A 29 -20.849 -3.511 -15.937 1.00 54.24 H new ATOM 0 HG22 VAL A 29 -19.668 -4.563 -16.753 1.00 54.24 H new ATOM 0 HG23 VAL A 29 -20.014 -2.942 -17.402 1.00 54.24 H new ATOM 490 N ARG A 30 -22.879 -4.720 -20.672 1.00 74.04 N ATOM 491 CA ARG A 30 -23.976 -5.251 -21.472 1.00 74.24 C ATOM 492 C ARG A 30 -23.457 -6.217 -22.533 1.00 74.33 C ATOM 493 O ARG A 30 -23.897 -7.365 -22.613 1.00 13.44 O ATOM 494 CB ARG A 30 -24.748 -4.111 -22.139 1.00 72.13 C ATOM 495 CG ARG A 30 -25.554 -3.269 -21.164 1.00 4.52 C ATOM 496 CD ARG A 30 -26.590 -2.420 -21.884 1.00 45.23 C ATOM 497 NE ARG A 30 -25.971 -1.432 -22.764 1.00 54.42 N ATOM 498 CZ ARG A 30 -26.663 -0.568 -23.500 1.00 3.15 C ATOM 499 NH1 ARG A 30 -27.988 -0.571 -23.460 1.00 40.53 N ATOM 500 NH2 ARG A 30 -26.028 0.301 -24.276 1.00 12.21 N ATOM 0 H ARG A 30 -22.756 -3.710 -20.743 1.00 74.04 H new ATOM 0 HA ARG A 30 -24.647 -5.795 -20.807 1.00 74.24 H new ATOM 0 HB2 ARG A 30 -24.044 -3.467 -22.667 1.00 72.13 H new ATOM 0 HB3 ARG A 30 -25.421 -4.529 -22.888 1.00 72.13 H new ATOM 0 HG2 ARG A 30 -26.052 -3.920 -20.445 1.00 4.52 H new ATOM 0 HG3 ARG A 30 -24.883 -2.623 -20.598 1.00 4.52 H new ATOM 0 HD2 ARG A 30 -27.246 -3.066 -22.468 1.00 45.23 H new ATOM 0 HD3 ARG A 30 -27.215 -1.911 -21.150 1.00 45.23 H new ATOM 0 HE ARG A 30 -24.953 -1.404 -22.817 1.00 54.42 H new ATOM 0 HH11 ARG A 30 -28.479 -1.237 -22.864 1.00 40.53 H new ATOM 0 HH12 ARG A 30 -28.517 0.093 -24.026 1.00 40.53 H new ATOM 0 HH21 ARG A 30 -25.009 0.306 -24.308 1.00 12.21 H new ATOM 0 HH22 ARG A 30 -26.559 0.964 -24.841 1.00 12.21 H new ATOM 514 N LYS A 31 -22.520 -5.745 -23.348 1.00 24.53 N ATOM 515 CA LYS A 31 -21.939 -6.566 -24.404 1.00 31.11 C ATOM 516 C LYS A 31 -21.258 -7.800 -23.822 1.00 24.35 C ATOM 517 O LYS A 31 -21.288 -8.877 -24.417 1.00 22.42 O ATOM 518 CB LYS A 31 -20.932 -5.750 -25.217 1.00 4.12 C ATOM 519 CG LYS A 31 -19.614 -5.520 -24.498 1.00 24.24 C ATOM 520 CD LYS A 31 -18.628 -4.759 -25.369 1.00 34.03 C ATOM 521 CE LYS A 31 -17.901 -5.687 -26.329 1.00 61.23 C ATOM 522 NZ LYS A 31 -16.693 -6.295 -25.705 1.00 50.05 N ATOM 0 H LYS A 31 -22.146 -4.797 -23.298 1.00 24.53 H new ATOM 0 HA LYS A 31 -22.746 -6.894 -25.060 1.00 31.11 H new ATOM 0 HB2 LYS A 31 -20.738 -6.263 -26.159 1.00 4.12 H new ATOM 0 HB3 LYS A 31 -21.374 -4.785 -25.465 1.00 4.12 H new ATOM 0 HG2 LYS A 31 -19.793 -4.963 -23.578 1.00 24.24 H new ATOM 0 HG3 LYS A 31 -19.183 -6.479 -24.212 1.00 24.24 H new ATOM 0 HD2 LYS A 31 -19.157 -3.991 -25.934 1.00 34.03 H new ATOM 0 HD3 LYS A 31 -17.903 -4.247 -24.737 1.00 34.03 H new ATOM 0 HE2 LYS A 31 -18.578 -6.477 -26.654 1.00 61.23 H new ATOM 0 HE3 LYS A 31 -17.609 -5.131 -27.220 1.00 61.23 H new ATOM 0 HZ1 LYS A 31 -16.225 -6.921 -26.391 1.00 50.05 H new ATOM 0 HZ2 LYS A 31 -16.035 -5.543 -25.418 1.00 50.05 H new ATOM 0 HZ3 LYS A 31 -16.974 -6.846 -24.869 1.00 50.05 H new ATOM 536 N VAL A 32 -20.644 -7.636 -22.654 1.00 35.55 N ATOM 537 CA VAL A 32 -19.958 -8.738 -21.989 1.00 42.04 C ATOM 538 C VAL A 32 -20.949 -9.788 -21.499 1.00 42.34 C ATOM 539 O VAL A 32 -20.768 -10.983 -21.731 1.00 31.44 O ATOM 540 CB VAL A 32 -19.122 -8.240 -20.795 1.00 50.04 C ATOM 541 CG1 VAL A 32 -18.652 -9.412 -19.947 1.00 1.52 C ATOM 542 CG2 VAL A 32 -17.940 -7.414 -21.280 1.00 72.14 C ATOM 0 H VAL A 32 -20.608 -6.751 -22.149 1.00 35.55 H new ATOM 0 HA VAL A 32 -19.293 -9.187 -22.727 1.00 42.04 H new ATOM 0 HB VAL A 32 -19.751 -7.602 -20.174 1.00 50.04 H new ATOM 0 HG11 VAL A 32 -18.063 -9.041 -19.108 1.00 1.52 H new ATOM 0 HG12 VAL A 32 -19.517 -9.958 -19.570 1.00 1.52 H new ATOM 0 HG13 VAL A 32 -18.039 -10.078 -20.554 1.00 1.52 H new ATOM 0 HG21 VAL A 32 -17.360 -7.070 -20.423 1.00 72.14 H new ATOM 0 HG22 VAL A 32 -17.308 -8.026 -21.924 1.00 72.14 H new ATOM 0 HG23 VAL A 32 -18.304 -6.553 -21.841 1.00 72.14 H new ATOM 552 N PHE A 33 -21.997 -9.333 -20.822 1.00 14.35 N ATOM 553 CA PHE A 33 -23.018 -10.233 -20.298 1.00 12.22 C ATOM 554 C PHE A 33 -23.832 -10.851 -21.431 1.00 41.42 C ATOM 555 O PHE A 33 -24.309 -11.980 -21.323 1.00 62.50 O ATOM 556 CB PHE A 33 -23.946 -9.483 -19.339 1.00 24.42 C ATOM 557 CG PHE A 33 -24.243 -10.242 -18.077 1.00 72.32 C ATOM 558 CD1 PHE A 33 -24.563 -11.590 -18.123 1.00 2.22 C ATOM 559 CD2 PHE A 33 -24.203 -9.608 -16.846 1.00 21.41 C ATOM 560 CE1 PHE A 33 -24.838 -12.290 -16.963 1.00 62.14 C ATOM 561 CE2 PHE A 33 -24.477 -10.304 -15.683 1.00 44.30 C ATOM 562 CZ PHE A 33 -24.794 -11.647 -15.742 1.00 45.30 C ATOM 0 H PHE A 33 -22.162 -8.346 -20.623 1.00 14.35 H new ATOM 0 HA PHE A 33 -22.516 -11.034 -19.755 1.00 12.22 H new ATOM 0 HB2 PHE A 33 -23.492 -8.527 -19.080 1.00 24.42 H new ATOM 0 HB3 PHE A 33 -24.883 -9.263 -19.850 1.00 24.42 H new ATOM 0 HD1 PHE A 33 -24.598 -12.099 -19.075 1.00 2.22 H new ATOM 0 HD2 PHE A 33 -23.955 -8.558 -16.794 1.00 21.41 H new ATOM 0 HE1 PHE A 33 -25.087 -13.340 -17.012 1.00 62.14 H new ATOM 0 HE2 PHE A 33 -24.443 -9.798 -14.729 1.00 44.30 H new ATOM 0 HZ PHE A 33 -25.007 -12.193 -14.835 1.00 45.30 H new ATOM 572 N ASP A 34 -23.986 -10.101 -22.517 1.00 74.10 N ATOM 573 CA ASP A 34 -24.742 -10.574 -23.671 1.00 63.14 C ATOM 574 C ASP A 34 -24.065 -11.786 -24.304 1.00 70.11 C ATOM 575 O ASP A 34 -24.712 -12.795 -24.582 1.00 14.10 O ATOM 576 CB ASP A 34 -24.886 -9.457 -24.706 1.00 44.10 C ATOM 577 CG ASP A 34 -25.778 -9.853 -25.866 1.00 31.23 C ATOM 578 OD1 ASP A 34 -25.302 -10.586 -26.757 1.00 24.51 O ATOM 579 OD2 ASP A 34 -26.953 -9.429 -25.882 1.00 60.45 O ATOM 0 H ASP A 34 -23.598 -9.164 -22.622 1.00 74.10 H new ATOM 0 HA ASP A 34 -25.733 -10.871 -23.328 1.00 63.14 H new ATOM 0 HB2 ASP A 34 -25.295 -8.569 -24.224 1.00 44.10 H new ATOM 0 HB3 ASP A 34 -23.900 -9.188 -25.085 1.00 44.10 H new ATOM 584 N GLU A 35 -22.759 -11.678 -24.529 1.00 73.15 N ATOM 585 CA GLU A 35 -21.996 -12.765 -25.131 1.00 72.23 C ATOM 586 C GLU A 35 -21.923 -13.965 -24.191 1.00 13.54 C ATOM 587 O GLU A 35 -22.001 -15.114 -24.626 1.00 44.32 O ATOM 588 CB GLU A 35 -20.584 -12.293 -25.484 1.00 12.35 C ATOM 589 CG GLU A 35 -20.533 -11.381 -26.698 1.00 64.10 C ATOM 590 CD GLU A 35 -20.539 -12.150 -28.005 1.00 44.31 C ATOM 591 OE1 GLU A 35 -19.710 -13.072 -28.156 1.00 35.15 O ATOM 592 OE2 GLU A 35 -21.372 -11.828 -28.878 1.00 34.43 O ATOM 0 H GLU A 35 -22.208 -10.850 -24.304 1.00 73.15 H new ATOM 0 HA GLU A 35 -22.508 -13.071 -26.044 1.00 72.23 H new ATOM 0 HB2 GLU A 35 -20.161 -11.768 -24.628 1.00 12.35 H new ATOM 0 HB3 GLU A 35 -19.954 -13.164 -25.667 1.00 12.35 H new ATOM 0 HG2 GLU A 35 -21.387 -10.704 -26.675 1.00 64.10 H new ATOM 0 HG3 GLU A 35 -19.636 -10.765 -26.647 1.00 64.10 H new ATOM 599 N ILE A 36 -21.773 -13.688 -22.900 1.00 34.13 N ATOM 600 CA ILE A 36 -21.690 -14.743 -21.898 1.00 35.44 C ATOM 601 C ILE A 36 -23.031 -15.450 -21.731 1.00 55.11 C ATOM 602 O ILE A 36 -23.086 -16.669 -21.571 1.00 5.13 O ATOM 603 CB ILE A 36 -21.242 -14.189 -20.532 1.00 62.45 C ATOM 604 CG1 ILE A 36 -19.860 -13.543 -20.649 1.00 63.30 C ATOM 605 CG2 ILE A 36 -21.228 -15.297 -19.490 1.00 34.22 C ATOM 606 CD1 ILE A 36 -19.581 -12.515 -19.575 1.00 50.35 C ATOM 0 H ILE A 36 -21.707 -12.742 -22.524 1.00 34.13 H new ATOM 0 HA ILE A 36 -20.947 -15.457 -22.253 1.00 35.44 H new ATOM 0 HB ILE A 36 -21.953 -13.427 -20.214 1.00 62.45 H new ATOM 0 HG12 ILE A 36 -19.099 -14.322 -20.602 1.00 63.30 H new ATOM 0 HG13 ILE A 36 -19.771 -13.069 -21.626 1.00 63.30 H new ATOM 0 HG21 ILE A 36 -20.909 -14.890 -18.530 1.00 34.22 H new ATOM 0 HG22 ILE A 36 -22.229 -15.717 -19.392 1.00 34.22 H new ATOM 0 HG23 ILE A 36 -20.535 -16.079 -19.800 1.00 34.22 H new ATOM 0 HD11 ILE A 36 -18.584 -12.099 -19.720 1.00 50.35 H new ATOM 0 HD12 ILE A 36 -20.320 -11.716 -19.635 1.00 50.35 H new ATOM 0 HD13 ILE A 36 -19.637 -12.988 -18.595 1.00 50.35 H new ATOM 618 N GLN A 37 -24.111 -14.676 -21.772 1.00 11.20 N ATOM 619 CA GLN A 37 -25.453 -15.228 -21.627 1.00 24.44 C ATOM 620 C GLN A 37 -25.808 -16.115 -22.816 1.00 21.04 C ATOM 621 O GLN A 37 -26.455 -17.150 -22.658 1.00 15.41 O ATOM 622 CB GLN A 37 -26.479 -14.102 -21.490 1.00 61.34 C ATOM 623 CG GLN A 37 -26.772 -13.717 -20.049 1.00 45.13 C ATOM 624 CD GLN A 37 -27.590 -12.445 -19.940 1.00 23.42 C ATOM 625 OE1 GLN A 37 -28.715 -12.458 -19.439 1.00 25.40 O ATOM 626 NE2 GLN A 37 -27.028 -11.337 -20.409 1.00 21.41 N ATOM 0 H GLN A 37 -24.083 -13.665 -21.904 1.00 11.20 H new ATOM 0 HA GLN A 37 -25.472 -15.838 -20.724 1.00 24.44 H new ATOM 0 HB2 GLN A 37 -26.116 -13.224 -22.025 1.00 61.34 H new ATOM 0 HB3 GLN A 37 -27.408 -14.408 -21.972 1.00 61.34 H new ATOM 0 HG2 GLN A 37 -27.307 -14.532 -19.561 1.00 45.13 H new ATOM 0 HG3 GLN A 37 -25.832 -13.587 -19.513 1.00 45.13 H new ATOM 0 HE21 GLN A 37 -26.093 -11.372 -20.816 1.00 21.41 H new ATOM 0 HE22 GLN A 37 -27.531 -10.451 -20.362 1.00 21.41 H new ATOM 635 N GLN A 38 -25.380 -15.702 -24.004 1.00 51.02 N ATOM 636 CA GLN A 38 -25.655 -16.459 -25.220 1.00 23.12 C ATOM 637 C GLN A 38 -24.756 -17.688 -25.310 1.00 71.03 C ATOM 638 O GLN A 38 -25.233 -18.806 -25.504 1.00 31.52 O ATOM 639 CB GLN A 38 -25.456 -15.575 -26.452 1.00 63.23 C ATOM 640 CG GLN A 38 -26.404 -14.388 -26.509 1.00 63.21 C ATOM 641 CD GLN A 38 -27.675 -14.693 -27.276 1.00 34.22 C ATOM 642 OE1 GLN A 38 -27.751 -14.478 -28.486 1.00 33.31 O ATOM 643 NE2 GLN A 38 -28.684 -15.197 -26.574 1.00 24.42 N ATOM 0 H GLN A 38 -24.842 -14.848 -24.151 1.00 51.02 H new ATOM 0 HA GLN A 38 -26.692 -16.792 -25.185 1.00 23.12 H new ATOM 0 HB2 GLN A 38 -24.429 -15.210 -26.465 1.00 63.23 H new ATOM 0 HB3 GLN A 38 -25.590 -16.180 -27.349 1.00 63.23 H new ATOM 0 HG2 GLN A 38 -26.661 -14.084 -25.494 1.00 63.21 H new ATOM 0 HG3 GLN A 38 -25.896 -13.544 -26.976 1.00 63.21 H new ATOM 0 HE21 GLN A 38 -28.578 -15.359 -25.573 1.00 24.42 H new ATOM 0 HE22 GLN A 38 -29.565 -15.422 -27.036 1.00 24.42 H new ATOM 652 N LYS A 39 -23.452 -17.473 -25.170 1.00 34.24 N ATOM 653 CA LYS A 39 -22.486 -18.563 -25.234 1.00 44.34 C ATOM 654 C LYS A 39 -22.801 -19.633 -24.194 1.00 53.23 C ATOM 655 O LYS A 39 -22.534 -20.817 -24.406 1.00 1.53 O ATOM 656 CB LYS A 39 -21.068 -18.028 -25.017 1.00 53.23 C ATOM 657 CG LYS A 39 -20.722 -17.798 -23.556 1.00 60.24 C ATOM 658 CD LYS A 39 -19.362 -17.138 -23.403 1.00 22.42 C ATOM 659 CE LYS A 39 -18.236 -18.157 -23.486 1.00 24.33 C ATOM 660 NZ LYS A 39 -16.968 -17.545 -23.971 1.00 51.33 N ATOM 0 H LYS A 39 -23.040 -16.553 -25.011 1.00 34.24 H new ATOM 0 HA LYS A 39 -22.551 -19.014 -26.224 1.00 44.34 H new ATOM 0 HB2 LYS A 39 -20.354 -18.732 -25.444 1.00 53.23 H new ATOM 0 HB3 LYS A 39 -20.955 -17.090 -25.560 1.00 53.23 H new ATOM 0 HG2 LYS A 39 -21.485 -17.172 -23.094 1.00 60.24 H new ATOM 0 HG3 LYS A 39 -20.727 -18.750 -23.026 1.00 60.24 H new ATOM 0 HD2 LYS A 39 -19.232 -16.386 -24.181 1.00 22.42 H new ATOM 0 HD3 LYS A 39 -19.314 -16.618 -22.446 1.00 22.42 H new ATOM 0 HE2 LYS A 39 -18.073 -18.599 -22.503 1.00 24.33 H new ATOM 0 HE3 LYS A 39 -18.528 -18.967 -24.155 1.00 24.33 H new ATOM 0 HZ1 LYS A 39 -16.226 -18.272 -24.013 1.00 51.33 H new ATOM 0 HZ2 LYS A 39 -17.116 -17.145 -24.920 1.00 51.33 H new ATOM 0 HZ3 LYS A 39 -16.676 -16.789 -23.319 1.00 51.33 H new ATOM 674 N LEU A 40 -23.372 -19.210 -23.072 1.00 34.11 N ATOM 675 CA LEU A 40 -23.726 -20.133 -21.999 1.00 14.11 C ATOM 676 C LEU A 40 -25.218 -20.450 -22.023 1.00 52.04 C ATOM 677 O LEU A 40 -25.703 -21.266 -21.239 1.00 12.12 O ATOM 678 CB LEU A 40 -23.341 -19.540 -20.642 1.00 75.42 C ATOM 679 CG LEU A 40 -21.845 -19.348 -20.394 1.00 21.52 C ATOM 680 CD1 LEU A 40 -21.601 -18.819 -18.989 1.00 65.13 C ATOM 681 CD2 LEU A 40 -21.096 -20.656 -20.611 1.00 14.51 C ATOM 0 H LEU A 40 -23.600 -18.234 -22.881 1.00 34.11 H new ATOM 0 HA LEU A 40 -23.174 -21.060 -22.154 1.00 14.11 H new ATOM 0 HB2 LEU A 40 -23.833 -18.573 -20.538 1.00 75.42 H new ATOM 0 HB3 LEU A 40 -23.739 -20.186 -19.860 1.00 75.42 H new ATOM 0 HG LEU A 40 -21.469 -18.614 -21.107 1.00 21.52 H new ATOM 0 HD11 LEU A 40 -20.531 -18.688 -18.830 1.00 65.13 H new ATOM 0 HD12 LEU A 40 -22.105 -17.860 -18.869 1.00 65.13 H new ATOM 0 HD13 LEU A 40 -21.992 -19.529 -18.260 1.00 65.13 H new ATOM 0 HD21 LEU A 40 -20.032 -20.501 -20.430 1.00 14.51 H new ATOM 0 HD22 LEU A 40 -21.475 -21.411 -19.922 1.00 14.51 H new ATOM 0 HD23 LEU A 40 -21.244 -20.994 -21.637 1.00 14.51 H new ATOM 693 N HIS A 41 -25.941 -19.801 -22.931 1.00 11.03 N ATOM 694 CA HIS A 41 -27.378 -20.016 -23.060 1.00 10.14 C ATOM 695 C HIS A 41 -28.074 -19.862 -21.710 1.00 65.14 C ATOM 696 O HIS A 41 -29.037 -20.568 -21.413 1.00 35.31 O ATOM 697 CB HIS A 41 -27.658 -21.404 -23.635 1.00 63.44 C ATOM 698 CG HIS A 41 -27.099 -21.607 -25.010 1.00 44.40 C ATOM 699 ND1 HIS A 41 -27.889 -21.783 -26.126 1.00 14.12 N ATOM 700 CD2 HIS A 41 -25.818 -21.658 -25.446 1.00 73.12 C ATOM 701 CE1 HIS A 41 -27.120 -21.936 -27.189 1.00 2.15 C ATOM 702 NE2 HIS A 41 -25.858 -21.864 -26.803 1.00 54.34 N ATOM 0 H HIS A 41 -25.555 -19.122 -23.588 1.00 11.03 H new ATOM 0 HA HIS A 41 -27.773 -19.262 -23.741 1.00 10.14 H new ATOM 0 HB2 HIS A 41 -27.239 -22.156 -22.967 1.00 63.44 H new ATOM 0 HB3 HIS A 41 -28.735 -21.566 -23.662 1.00 63.44 H new ATOM 0 HD2 HIS A 41 -24.930 -21.556 -24.839 1.00 73.12 H new ATOM 0 HE1 HIS A 41 -27.464 -22.093 -28.201 1.00 2.15 H new ATOM 0 HE2 HIS A 41 -25.046 -21.948 -27.414 1.00 54.34 H new ATOM 711 N CYS A 42 -27.578 -18.935 -20.897 1.00 30.50 N ATOM 712 CA CYS A 42 -28.150 -18.689 -19.579 1.00 32.31 C ATOM 713 C CYS A 42 -28.696 -17.268 -19.480 1.00 15.11 C ATOM 714 O CYS A 42 -28.385 -16.412 -20.309 1.00 30.04 O ATOM 715 CB CYS A 42 -27.098 -18.920 -18.492 1.00 53.01 C ATOM 716 SG CYS A 42 -25.655 -17.814 -18.607 1.00 72.24 S ATOM 0 H CYS A 42 -26.781 -18.342 -21.128 1.00 30.50 H new ATOM 0 HA CYS A 42 -28.974 -19.387 -19.432 1.00 32.31 H new ATOM 0 HB2 CYS A 42 -27.565 -18.790 -17.516 1.00 53.01 H new ATOM 0 HB3 CYS A 42 -26.756 -19.953 -18.546 1.00 53.01 H new ATOM 721 N CYS A 43 -29.513 -17.023 -18.460 1.00 62.52 N ATOM 722 CA CYS A 43 -30.103 -15.707 -18.251 1.00 73.14 C ATOM 723 C CYS A 43 -29.768 -15.175 -16.861 1.00 34.01 C ATOM 724 O CYS A 43 -29.853 -15.900 -15.870 1.00 51.44 O ATOM 725 CB CYS A 43 -31.621 -15.771 -18.433 1.00 31.31 C ATOM 726 SG CYS A 43 -32.428 -14.141 -18.528 1.00 52.14 S ATOM 0 H CYS A 43 -29.781 -17.720 -17.765 1.00 62.52 H new ATOM 0 HA CYS A 43 -29.683 -15.026 -18.992 1.00 73.14 H new ATOM 0 HB2 CYS A 43 -31.844 -16.328 -19.343 1.00 31.31 H new ATOM 0 HB3 CYS A 43 -32.052 -16.330 -17.603 1.00 31.31 H new ATOM 731 N GLY A 44 -29.387 -13.903 -16.796 1.00 15.31 N ATOM 732 CA GLY A 44 -29.046 -13.295 -15.523 1.00 44.23 C ATOM 733 C GLY A 44 -27.893 -13.999 -14.835 1.00 75.40 C ATOM 734 O GLY A 44 -27.480 -15.081 -15.253 1.00 10.35 O ATOM 0 H GLY A 44 -29.308 -13.283 -17.602 1.00 15.31 H new ATOM 0 HA2 GLY A 44 -28.786 -12.248 -15.682 1.00 44.23 H new ATOM 0 HA3 GLY A 44 -29.919 -13.311 -14.871 1.00 44.23 H new ATOM 738 N ALA A 45 -27.372 -13.385 -13.778 1.00 55.21 N ATOM 739 CA ALA A 45 -26.261 -13.960 -13.031 1.00 33.33 C ATOM 740 C ALA A 45 -26.705 -15.193 -12.250 1.00 3.33 C ATOM 741 O ALA A 45 -26.269 -16.309 -12.533 1.00 51.21 O ATOM 742 CB ALA A 45 -25.665 -12.924 -12.090 1.00 43.42 C ATOM 0 H ALA A 45 -27.702 -12.489 -13.420 1.00 55.21 H new ATOM 0 HA ALA A 45 -25.497 -14.269 -13.744 1.00 33.33 H new ATOM 0 HB1 ALA A 45 -24.836 -13.368 -11.538 1.00 43.42 H new ATOM 0 HB2 ALA A 45 -25.303 -12.074 -12.668 1.00 43.42 H new ATOM 0 HB3 ALA A 45 -26.429 -12.587 -11.389 1.00 43.42 H new ATOM 748 N ASP A 46 -27.572 -14.983 -11.266 1.00 32.23 N ATOM 749 CA ASP A 46 -28.075 -16.078 -10.444 1.00 0.23 C ATOM 750 C ASP A 46 -29.482 -16.480 -10.876 1.00 3.14 C ATOM 751 O ASP A 46 -29.981 -17.537 -10.491 1.00 73.32 O ATOM 752 CB ASP A 46 -28.076 -15.677 -8.968 1.00 14.52 C ATOM 753 CG ASP A 46 -27.392 -16.704 -8.088 1.00 33.22 C ATOM 754 OD1 ASP A 46 -27.522 -17.913 -8.375 1.00 54.32 O ATOM 755 OD2 ASP A 46 -26.726 -16.300 -7.112 1.00 52.12 O ATOM 0 H ASP A 46 -27.941 -14.065 -11.018 1.00 32.23 H new ATOM 0 HA ASP A 46 -27.414 -16.934 -10.579 1.00 0.23 H new ATOM 0 HB2 ASP A 46 -27.575 -14.715 -8.856 1.00 14.52 H new ATOM 0 HB3 ASP A 46 -29.104 -15.542 -8.632 1.00 14.52 H new ATOM 760 N SER A 47 -30.116 -15.629 -11.676 1.00 4.21 N ATOM 761 CA SER A 47 -31.467 -15.893 -12.156 1.00 61.02 C ATOM 762 C SER A 47 -31.951 -14.766 -13.063 1.00 14.54 C ATOM 763 O SER A 47 -31.421 -13.654 -13.052 1.00 60.50 O ATOM 764 CB SER A 47 -32.426 -16.062 -10.976 1.00 72.25 C ATOM 765 OG SER A 47 -31.994 -15.310 -9.856 1.00 12.11 O ATOM 0 H SER A 47 -29.716 -14.751 -12.005 1.00 4.21 H new ATOM 0 HA SER A 47 -31.447 -16.817 -12.734 1.00 61.02 H new ATOM 0 HB2 SER A 47 -33.427 -15.743 -11.268 1.00 72.25 H new ATOM 0 HB3 SER A 47 -32.493 -17.116 -10.706 1.00 72.25 H new ATOM 0 HG SER A 47 -32.624 -15.434 -9.116 1.00 12.11 H new ATOM 771 N PRO A 48 -32.984 -15.057 -13.867 1.00 53.22 N ATOM 772 CA PRO A 48 -33.565 -14.081 -14.795 1.00 65.51 C ATOM 773 C PRO A 48 -34.315 -12.968 -14.072 1.00 30.52 C ATOM 774 O PRO A 48 -34.499 -11.877 -14.611 1.00 73.22 O ATOM 775 CB PRO A 48 -34.531 -14.921 -15.634 1.00 35.25 C ATOM 776 CG PRO A 48 -34.889 -16.073 -14.759 1.00 64.43 C ATOM 777 CD PRO A 48 -33.666 -16.361 -13.933 1.00 3.54 C ATOM 0 HA PRO A 48 -32.801 -13.572 -15.382 1.00 65.51 H new ATOM 0 HB2 PRO A 48 -35.414 -14.347 -15.914 1.00 35.25 H new ATOM 0 HB3 PRO A 48 -34.063 -15.257 -16.559 1.00 35.25 H new ATOM 0 HG2 PRO A 48 -35.741 -15.831 -14.124 1.00 64.43 H new ATOM 0 HG3 PRO A 48 -35.172 -16.942 -15.354 1.00 64.43 H new ATOM 0 HD2 PRO A 48 -33.929 -16.728 -12.941 1.00 3.54 H new ATOM 0 HD3 PRO A 48 -33.037 -17.120 -14.398 1.00 3.54 H new ATOM 785 N LYS A 49 -34.746 -13.251 -12.847 1.00 52.11 N ATOM 786 CA LYS A 49 -35.476 -12.274 -12.048 1.00 5.51 C ATOM 787 C LYS A 49 -34.595 -11.072 -11.722 1.00 0.54 C ATOM 788 O LYS A 49 -35.094 -9.995 -11.394 1.00 14.01 O ATOM 789 CB LYS A 49 -35.979 -12.916 -10.754 1.00 33.43 C ATOM 790 CG LYS A 49 -37.012 -14.007 -10.978 1.00 61.43 C ATOM 791 CD LYS A 49 -38.366 -13.426 -11.348 1.00 11.11 C ATOM 792 CE LYS A 49 -39.215 -13.162 -10.114 1.00 31.22 C ATOM 793 NZ LYS A 49 -40.642 -12.917 -10.464 1.00 24.22 N ATOM 0 H LYS A 49 -34.602 -14.149 -12.386 1.00 52.11 H new ATOM 0 HA LYS A 49 -36.330 -11.930 -12.631 1.00 5.51 H new ATOM 0 HB2 LYS A 49 -35.131 -13.336 -10.213 1.00 33.43 H new ATOM 0 HB3 LYS A 49 -36.411 -12.143 -10.119 1.00 33.43 H new ATOM 0 HG2 LYS A 49 -36.672 -14.674 -11.771 1.00 61.43 H new ATOM 0 HG3 LYS A 49 -37.108 -14.609 -10.075 1.00 61.43 H new ATOM 0 HD2 LYS A 49 -38.226 -12.497 -11.900 1.00 11.11 H new ATOM 0 HD3 LYS A 49 -38.890 -14.115 -12.011 1.00 11.11 H new ATOM 0 HE2 LYS A 49 -39.148 -14.015 -9.438 1.00 31.22 H new ATOM 0 HE3 LYS A 49 -38.819 -12.299 -9.579 1.00 31.22 H new ATOM 0 HZ1 LYS A 49 -41.187 -12.741 -9.596 1.00 24.22 H new ATOM 0 HZ2 LYS A 49 -40.709 -12.088 -11.089 1.00 24.22 H new ATOM 0 HZ3 LYS A 49 -41.028 -13.750 -10.952 1.00 24.22 H new ATOM 807 N ASP A 50 -33.284 -11.262 -11.815 1.00 24.12 N ATOM 808 CA ASP A 50 -32.334 -10.192 -11.532 1.00 25.40 C ATOM 809 C ASP A 50 -32.600 -8.980 -12.419 1.00 33.22 C ATOM 810 O ASP A 50 -32.308 -7.845 -12.041 1.00 32.44 O ATOM 811 CB ASP A 50 -30.901 -10.686 -11.739 1.00 2.00 C ATOM 812 CG ASP A 50 -30.530 -11.805 -10.785 1.00 53.42 C ATOM 813 OD1 ASP A 50 -30.953 -11.748 -9.612 1.00 14.22 O ATOM 814 OD2 ASP A 50 -29.816 -12.737 -11.212 1.00 14.53 O ATOM 0 H ASP A 50 -32.854 -12.147 -12.084 1.00 24.12 H new ATOM 0 HA ASP A 50 -32.461 -9.893 -10.492 1.00 25.40 H new ATOM 0 HB2 ASP A 50 -30.785 -11.034 -12.765 1.00 2.00 H new ATOM 0 HB3 ASP A 50 -30.210 -9.854 -11.604 1.00 2.00 H new ATOM 819 N TYR A 51 -33.155 -9.228 -13.600 1.00 33.43 N ATOM 820 CA TYR A 51 -33.458 -8.158 -14.542 1.00 51.31 C ATOM 821 C TYR A 51 -34.877 -7.635 -14.336 1.00 23.42 C ATOM 822 O TYR A 51 -35.207 -6.524 -14.746 1.00 41.40 O ATOM 823 CB TYR A 51 -33.289 -8.652 -15.980 1.00 23.14 C ATOM 824 CG TYR A 51 -31.854 -8.953 -16.351 1.00 74.53 C ATOM 825 CD1 TYR A 51 -30.891 -7.953 -16.350 1.00 44.10 C ATOM 826 CD2 TYR A 51 -31.463 -10.240 -16.703 1.00 0.42 C ATOM 827 CE1 TYR A 51 -29.579 -8.224 -16.690 1.00 13.34 C ATOM 828 CE2 TYR A 51 -30.154 -10.520 -17.042 1.00 45.04 C ATOM 829 CZ TYR A 51 -29.216 -9.509 -17.035 1.00 4.32 C ATOM 830 OH TYR A 51 -27.910 -9.783 -17.372 1.00 51.24 O ATOM 0 H TYR A 51 -33.404 -10.161 -13.928 1.00 33.43 H new ATOM 0 HA TYR A 51 -32.759 -7.341 -14.361 1.00 51.31 H new ATOM 0 HB2 TYR A 51 -33.888 -9.552 -16.119 1.00 23.14 H new ATOM 0 HB3 TYR A 51 -33.682 -7.899 -16.663 1.00 23.14 H new ATOM 0 HD1 TYR A 51 -31.172 -6.946 -16.079 1.00 44.10 H new ATOM 0 HD2 TYR A 51 -32.195 -11.034 -16.711 1.00 0.42 H new ATOM 0 HE1 TYR A 51 -28.842 -7.434 -16.686 1.00 13.34 H new ATOM 0 HE2 TYR A 51 -29.866 -11.526 -17.311 1.00 45.04 H new ATOM 0 HH TYR A 51 -27.487 -8.973 -17.727 1.00 51.24 H new ATOM 840 N GLY A 52 -35.712 -8.448 -13.695 1.00 53.34 N ATOM 841 CA GLY A 52 -37.086 -8.051 -13.444 1.00 64.55 C ATOM 842 C GLY A 52 -38.060 -8.694 -14.411 1.00 53.25 C ATOM 843 O GLY A 52 -38.361 -9.882 -14.302 1.00 4.04 O ATOM 0 H GLY A 52 -35.462 -9.373 -13.346 1.00 53.34 H new ATOM 0 HA2 GLY A 52 -37.359 -8.322 -12.424 1.00 64.55 H new ATOM 0 HA3 GLY A 52 -37.167 -6.967 -13.518 1.00 64.55 H new ATOM 847 N GLU A 53 -38.556 -7.906 -15.360 1.00 55.31 N ATOM 848 CA GLU A 53 -39.505 -8.405 -16.348 1.00 72.24 C ATOM 849 C GLU A 53 -39.045 -8.067 -17.764 1.00 31.34 C ATOM 850 O GLU A 53 -39.729 -8.374 -18.739 1.00 65.05 O ATOM 851 CB GLU A 53 -40.895 -7.816 -16.098 1.00 3.34 C ATOM 852 CG GLU A 53 -40.885 -6.316 -15.855 1.00 2.20 C ATOM 853 CD GLU A 53 -42.253 -5.687 -16.034 1.00 41.23 C ATOM 854 OE1 GLU A 53 -43.070 -5.768 -15.093 1.00 53.34 O ATOM 855 OE2 GLU A 53 -42.506 -5.114 -17.115 1.00 33.34 O ATOM 0 H GLU A 53 -38.316 -6.920 -15.465 1.00 55.31 H new ATOM 0 HA GLU A 53 -39.555 -9.489 -16.249 1.00 72.24 H new ATOM 0 HB2 GLU A 53 -41.532 -8.033 -16.956 1.00 3.34 H new ATOM 0 HB3 GLU A 53 -41.341 -8.312 -15.236 1.00 3.34 H new ATOM 0 HG2 GLU A 53 -40.528 -6.118 -14.845 1.00 2.20 H new ATOM 0 HG3 GLU A 53 -40.180 -5.845 -16.541 1.00 2.20 H new ATOM 862 N ASN A 54 -37.882 -7.433 -17.866 1.00 1.44 N ATOM 863 CA ASN A 54 -37.330 -7.051 -19.161 1.00 32.43 C ATOM 864 C ASN A 54 -35.854 -7.426 -19.255 1.00 33.31 C ATOM 865 O ASN A 54 -34.967 -6.576 -19.185 1.00 25.10 O ATOM 866 CB ASN A 54 -37.502 -5.548 -19.389 1.00 63.30 C ATOM 867 CG ASN A 54 -38.798 -5.019 -18.806 1.00 5.05 C ATOM 868 OD1 ASN A 54 -38.796 -4.069 -18.022 1.00 73.14 O ATOM 869 ND2 ASN A 54 -39.912 -5.634 -19.185 1.00 43.54 N ATOM 0 H ASN A 54 -37.303 -7.173 -17.068 1.00 1.44 H new ATOM 0 HA ASN A 54 -37.874 -7.593 -19.934 1.00 32.43 H new ATOM 0 HB2 ASN A 54 -36.662 -5.017 -18.941 1.00 63.30 H new ATOM 0 HB3 ASN A 54 -37.477 -5.340 -20.459 1.00 63.30 H new ATOM 0 HD21 ASN A 54 -40.814 -5.323 -18.824 1.00 43.54 H new ATOM 0 HD22 ASN A 54 -39.866 -6.417 -19.837 1.00 43.54 H new ATOM 876 N PRO A 55 -35.584 -8.730 -19.418 1.00 52.12 N ATOM 877 CA PRO A 55 -34.217 -9.248 -19.527 1.00 10.42 C ATOM 878 C PRO A 55 -33.547 -8.844 -20.836 1.00 22.42 C ATOM 879 O PRO A 55 -34.189 -8.352 -21.764 1.00 23.01 O ATOM 880 CB PRO A 55 -34.407 -10.765 -19.469 1.00 23.45 C ATOM 881 CG PRO A 55 -35.795 -10.993 -19.958 1.00 14.43 C ATOM 882 CD PRO A 55 -36.593 -9.799 -19.510 1.00 2.01 C ATOM 0 HA PRO A 55 -33.569 -8.856 -18.743 1.00 10.42 H new ATOM 0 HB2 PRO A 55 -33.678 -11.279 -20.095 1.00 23.45 H new ATOM 0 HB3 PRO A 55 -34.278 -11.141 -18.454 1.00 23.45 H new ATOM 0 HG2 PRO A 55 -35.815 -11.091 -21.043 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -36.207 -11.915 -19.547 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -37.379 -9.550 -20.223 1.00 2.01 H new ATOM 0 HD3 PRO A 55 -37.079 -9.977 -18.551 1.00 2.01 H new ATOM 890 N PRO A 56 -32.225 -9.057 -20.915 1.00 21.41 N ATOM 891 CA PRO A 56 -31.439 -8.724 -22.107 1.00 13.03 C ATOM 892 C PRO A 56 -31.756 -9.639 -23.285 1.00 12.03 C ATOM 893 O PRO A 56 -32.225 -10.763 -23.103 1.00 71.20 O ATOM 894 CB PRO A 56 -29.993 -8.926 -21.647 1.00 35.15 C ATOM 895 CG PRO A 56 -30.085 -9.911 -20.533 1.00 23.14 C ATOM 896 CD PRO A 56 -31.396 -9.641 -19.847 1.00 45.31 C ATOM 0 HA PRO A 56 -31.650 -7.716 -22.465 1.00 13.03 H new ATOM 0 HB2 PRO A 56 -29.368 -9.302 -22.457 1.00 35.15 H new ATOM 0 HB3 PRO A 56 -29.550 -7.989 -21.311 1.00 35.15 H new ATOM 0 HG2 PRO A 56 -30.046 -10.932 -20.911 1.00 23.14 H new ATOM 0 HG3 PRO A 56 -29.251 -9.795 -19.840 1.00 23.14 H new ATOM 0 HD2 PRO A 56 -31.838 -10.555 -19.450 1.00 45.31 H new ATOM 0 HD3 PRO A 56 -31.277 -8.954 -19.009 1.00 45.31 H new ATOM 904 N THR A 57 -31.497 -9.151 -24.494 1.00 10.11 N ATOM 905 CA THR A 57 -31.755 -9.924 -25.702 1.00 33.42 C ATOM 906 C THR A 57 -31.016 -11.257 -25.670 1.00 45.11 C ATOM 907 O THR A 57 -31.411 -12.213 -26.336 1.00 73.50 O ATOM 908 CB THR A 57 -31.338 -9.149 -26.966 1.00 14.45 C ATOM 909 OG1 THR A 57 -31.697 -9.891 -28.136 1.00 52.35 O ATOM 910 CG2 THR A 57 -29.841 -8.882 -26.967 1.00 42.32 C ATOM 0 H THR A 57 -31.108 -8.223 -24.662 1.00 10.11 H new ATOM 0 HA THR A 57 -32.829 -10.107 -25.736 1.00 33.42 H new ATOM 0 HB THR A 57 -31.861 -8.193 -26.969 1.00 14.45 H new ATOM 0 HG1 THR A 57 -31.430 -9.391 -28.935 1.00 52.35 H new ATOM 0 HG21 THR A 57 -29.570 -8.334 -27.869 1.00 42.32 H new ATOM 0 HG22 THR A 57 -29.576 -8.291 -26.090 1.00 42.32 H new ATOM 0 HG23 THR A 57 -29.302 -9.829 -26.943 1.00 42.32 H new ATOM 918 N SER A 58 -29.940 -11.313 -24.892 1.00 4.25 N ATOM 919 CA SER A 58 -29.142 -12.528 -24.776 1.00 33.24 C ATOM 920 C SER A 58 -29.867 -13.575 -23.935 1.00 21.11 C ATOM 921 O SER A 58 -29.562 -14.766 -24.007 1.00 1.12 O ATOM 922 CB SER A 58 -27.780 -12.213 -24.155 1.00 13.45 C ATOM 923 OG SER A 58 -27.921 -11.400 -23.002 1.00 32.31 O ATOM 0 H SER A 58 -29.601 -10.531 -24.332 1.00 4.25 H new ATOM 0 HA SER A 58 -28.991 -12.931 -25.778 1.00 33.24 H new ATOM 0 HB2 SER A 58 -27.274 -13.141 -23.890 1.00 13.45 H new ATOM 0 HB3 SER A 58 -27.152 -11.706 -24.887 1.00 13.45 H new ATOM 0 HG SER A 58 -28.828 -11.494 -22.644 1.00 32.31 H new ATOM 929 N CYS A 59 -30.829 -13.122 -23.138 1.00 24.24 N ATOM 930 CA CYS A 59 -31.598 -14.017 -22.282 1.00 21.32 C ATOM 931 C CYS A 59 -32.429 -14.987 -23.117 1.00 14.12 C ATOM 932 O CYS A 59 -32.908 -16.003 -22.613 1.00 53.03 O ATOM 933 CB CYS A 59 -32.511 -13.212 -21.356 1.00 12.42 C ATOM 934 SG CYS A 59 -33.493 -14.231 -20.209 1.00 12.11 S ATOM 0 H CYS A 59 -31.095 -12.140 -23.067 1.00 24.24 H new ATOM 0 HA CYS A 59 -30.897 -14.593 -21.678 1.00 21.32 H new ATOM 0 HB2 CYS A 59 -31.902 -12.517 -20.777 1.00 12.42 H new ATOM 0 HB3 CYS A 59 -33.189 -12.612 -21.963 1.00 12.42 H new ATOM 939 N SER A 60 -32.596 -14.665 -24.396 1.00 33.14 N ATOM 940 CA SER A 60 -33.373 -15.505 -25.300 1.00 64.21 C ATOM 941 C SER A 60 -32.646 -15.688 -26.629 1.00 72.32 C ATOM 942 O SER A 60 -31.718 -14.946 -26.950 1.00 64.45 O ATOM 943 CB SER A 60 -34.753 -14.892 -25.541 1.00 13.11 C ATOM 944 OG SER A 60 -34.698 -13.477 -25.494 1.00 40.40 O ATOM 0 H SER A 60 -32.204 -13.829 -24.829 1.00 33.14 H new ATOM 0 HA SER A 60 -33.495 -16.483 -24.834 1.00 64.21 H new ATOM 0 HB2 SER A 60 -35.132 -15.212 -26.511 1.00 13.11 H new ATOM 0 HB3 SER A 60 -35.453 -15.257 -24.789 1.00 13.11 H new ATOM 0 HG SER A 60 -35.592 -13.109 -25.653 1.00 40.40 H new ATOM 950 N LYS A 61 -33.076 -16.682 -27.399 1.00 21.41 N ATOM 951 CA LYS A 61 -32.469 -16.965 -28.694 1.00 53.24 C ATOM 952 C LYS A 61 -33.320 -17.950 -29.490 1.00 42.33 C ATOM 953 O LYS A 61 -33.764 -18.969 -28.962 1.00 11.01 O ATOM 954 CB LYS A 61 -31.058 -17.527 -28.508 1.00 74.52 C ATOM 955 CG LYS A 61 -30.362 -17.868 -29.814 1.00 51.04 C ATOM 956 CD LYS A 61 -29.416 -16.761 -30.247 1.00 50.53 C ATOM 957 CE LYS A 61 -30.110 -15.407 -30.256 1.00 44.12 C ATOM 958 NZ LYS A 61 -29.244 -14.344 -30.838 1.00 71.14 N ATOM 0 H LYS A 61 -33.843 -17.305 -27.148 1.00 21.41 H new ATOM 0 HA LYS A 61 -32.410 -16.030 -29.251 1.00 53.24 H new ATOM 0 HB2 LYS A 61 -30.455 -16.800 -27.964 1.00 74.52 H new ATOM 0 HB3 LYS A 61 -31.111 -18.423 -27.890 1.00 74.52 H new ATOM 0 HG2 LYS A 61 -29.806 -18.799 -29.699 1.00 51.04 H new ATOM 0 HG3 LYS A 61 -31.107 -18.036 -30.592 1.00 51.04 H new ATOM 0 HD2 LYS A 61 -28.560 -16.728 -29.573 1.00 50.53 H new ATOM 0 HD3 LYS A 61 -29.030 -16.980 -31.242 1.00 50.53 H new ATOM 0 HE2 LYS A 61 -31.035 -15.477 -30.829 1.00 44.12 H new ATOM 0 HE3 LYS A 61 -30.386 -15.134 -29.238 1.00 44.12 H new ATOM 0 HZ1 LYS A 61 -29.816 -13.497 -31.030 1.00 71.14 H new ATOM 0 HZ2 LYS A 61 -28.487 -14.106 -30.165 1.00 71.14 H new ATOM 0 HZ3 LYS A 61 -28.823 -14.686 -31.725 1.00 71.14 H new ATOM 972 N ASP A 62 -33.541 -17.639 -30.763 1.00 32.22 N ATOM 973 CA ASP A 62 -34.336 -18.499 -31.632 1.00 53.53 C ATOM 974 C ASP A 62 -35.752 -18.661 -31.088 1.00 72.13 C ATOM 975 O ASP A 62 -36.413 -19.668 -31.340 1.00 0.11 O ATOM 976 CB ASP A 62 -33.672 -19.868 -31.777 1.00 62.51 C ATOM 977 CG ASP A 62 -32.643 -19.898 -32.891 1.00 34.33 C ATOM 978 OD1 ASP A 62 -31.562 -19.300 -32.715 1.00 3.01 O ATOM 979 OD2 ASP A 62 -32.921 -20.519 -33.938 1.00 63.43 O ATOM 0 H ASP A 62 -33.181 -16.799 -31.215 1.00 32.22 H new ATOM 0 HA ASP A 62 -34.395 -18.028 -32.613 1.00 53.53 H new ATOM 0 HB2 ASP A 62 -33.192 -20.137 -30.836 1.00 62.51 H new ATOM 0 HB3 ASP A 62 -34.436 -20.620 -31.972 1.00 62.51 H new ATOM 984 N GLY A 63 -36.212 -17.663 -30.340 1.00 5.14 N ATOM 985 CA GLY A 63 -37.546 -17.715 -29.771 1.00 25.44 C ATOM 986 C GLY A 63 -37.614 -18.589 -28.534 1.00 74.41 C ATOM 987 O GLY A 63 -38.670 -19.132 -28.206 1.00 42.14 O ATOM 0 H GLY A 63 -35.684 -16.819 -30.118 1.00 5.14 H new ATOM 0 HA2 GLY A 63 -37.869 -16.705 -29.517 1.00 25.44 H new ATOM 0 HA3 GLY A 63 -38.242 -18.094 -30.519 1.00 25.44 H new ATOM 991 N VAL A 64 -36.486 -18.728 -27.846 1.00 22.23 N ATOM 992 CA VAL A 64 -36.422 -19.543 -26.638 1.00 61.24 C ATOM 993 C VAL A 64 -35.913 -18.731 -25.453 1.00 44.22 C ATOM 994 O VAL A 64 -35.205 -17.739 -25.627 1.00 22.21 O ATOM 995 CB VAL A 64 -35.510 -20.769 -26.836 1.00 54.12 C ATOM 996 CG1 VAL A 64 -34.068 -20.422 -26.500 1.00 12.24 C ATOM 997 CG2 VAL A 64 -35.998 -21.936 -25.992 1.00 24.54 C ATOM 0 H VAL A 64 -35.603 -18.287 -28.104 1.00 22.23 H new ATOM 0 HA VAL A 64 -37.437 -19.883 -26.432 1.00 61.24 H new ATOM 0 HB VAL A 64 -35.551 -21.066 -27.884 1.00 54.12 H new ATOM 0 HG11 VAL A 64 -33.439 -21.300 -26.646 1.00 12.24 H new ATOM 0 HG12 VAL A 64 -33.726 -19.618 -27.152 1.00 12.24 H new ATOM 0 HG13 VAL A 64 -34.004 -20.098 -25.461 1.00 12.24 H new ATOM 0 HG21 VAL A 64 -35.343 -22.794 -26.144 1.00 24.54 H new ATOM 0 HG22 VAL A 64 -35.988 -21.653 -24.939 1.00 24.54 H new ATOM 0 HG23 VAL A 64 -37.014 -22.199 -26.287 1.00 24.54 H new ATOM 1007 N GLN A 65 -36.278 -19.159 -24.249 1.00 4.30 N ATOM 1008 CA GLN A 65 -35.857 -18.470 -23.034 1.00 72.14 C ATOM 1009 C GLN A 65 -34.861 -19.315 -22.247 1.00 43.50 C ATOM 1010 O GLN A 65 -34.996 -20.535 -22.162 1.00 73.32 O ATOM 1011 CB GLN A 65 -37.070 -18.145 -22.161 1.00 75.22 C ATOM 1012 CG GLN A 65 -36.822 -17.021 -21.168 1.00 70.14 C ATOM 1013 CD GLN A 65 -36.784 -17.508 -19.733 1.00 53.22 C ATOM 1014 OE1 GLN A 65 -37.719 -18.155 -19.260 1.00 52.31 O ATOM 1015 NE2 GLN A 65 -35.700 -17.199 -19.031 1.00 53.23 N ATOM 0 H GLN A 65 -36.864 -19.979 -24.088 1.00 4.30 H new ATOM 0 HA GLN A 65 -35.367 -17.540 -23.324 1.00 72.14 H new ATOM 0 HB2 GLN A 65 -37.907 -17.872 -22.804 1.00 75.22 H new ATOM 0 HB3 GLN A 65 -37.365 -19.041 -21.616 1.00 75.22 H new ATOM 0 HG2 GLN A 65 -35.878 -16.532 -21.407 1.00 70.14 H new ATOM 0 HG3 GLN A 65 -37.605 -16.270 -21.272 1.00 70.14 H new ATOM 0 HE21 GLN A 65 -34.949 -16.661 -19.463 1.00 53.23 H new ATOM 0 HE22 GLN A 65 -35.618 -17.500 -18.060 1.00 53.23 H new ATOM 1024 N PHE A 66 -33.859 -18.657 -21.673 1.00 11.44 N ATOM 1025 CA PHE A 66 -32.838 -19.347 -20.893 1.00 34.10 C ATOM 1026 C PHE A 66 -33.177 -19.317 -19.405 1.00 50.34 C ATOM 1027 O PHE A 66 -32.789 -18.395 -18.686 1.00 65.45 O ATOM 1028 CB PHE A 66 -31.468 -18.709 -21.129 1.00 22.03 C ATOM 1029 CG PHE A 66 -31.015 -18.773 -22.559 1.00 62.13 C ATOM 1030 CD1 PHE A 66 -31.176 -19.933 -23.300 1.00 21.14 C ATOM 1031 CD2 PHE A 66 -30.427 -17.673 -23.164 1.00 34.34 C ATOM 1032 CE1 PHE A 66 -30.760 -19.995 -24.616 1.00 74.34 C ATOM 1033 CE2 PHE A 66 -30.010 -17.729 -24.480 1.00 74.41 C ATOM 1034 CZ PHE A 66 -30.176 -18.892 -25.207 1.00 60.20 C ATOM 0 H PHE A 66 -33.732 -17.647 -21.733 1.00 11.44 H new ATOM 0 HA PHE A 66 -32.808 -20.387 -21.219 1.00 34.10 H new ATOM 0 HB2 PHE A 66 -31.503 -17.666 -20.814 1.00 22.03 H new ATOM 0 HB3 PHE A 66 -30.731 -19.208 -20.500 1.00 22.03 H new ATOM 0 HD1 PHE A 66 -31.632 -20.799 -22.843 1.00 21.14 H new ATOM 0 HD2 PHE A 66 -30.293 -16.762 -22.600 1.00 34.34 H new ATOM 0 HE1 PHE A 66 -30.891 -20.905 -25.182 1.00 74.34 H new ATOM 0 HE2 PHE A 66 -29.555 -16.864 -24.940 1.00 74.41 H new ATOM 0 HZ PHE A 66 -29.850 -18.938 -26.235 1.00 60.20 H new ATOM 1044 N THR A 67 -33.905 -20.331 -18.949 1.00 72.44 N ATOM 1045 CA THR A 67 -34.298 -20.421 -17.549 1.00 34.20 C ATOM 1046 C THR A 67 -33.126 -20.852 -16.675 1.00 42.42 C ATOM 1047 O THR A 67 -33.221 -20.848 -15.448 1.00 43.14 O ATOM 1048 CB THR A 67 -35.460 -21.414 -17.354 1.00 53.53 C ATOM 1049 OG1 THR A 67 -35.027 -22.743 -17.664 1.00 43.43 O ATOM 1050 CG2 THR A 67 -36.643 -21.042 -18.236 1.00 41.11 C ATOM 0 H THR A 67 -34.235 -21.102 -19.530 1.00 72.44 H new ATOM 0 HA THR A 67 -34.625 -19.426 -17.249 1.00 34.20 H new ATOM 0 HB THR A 67 -35.775 -21.370 -16.312 1.00 53.53 H new ATOM 0 HG1 THR A 67 -35.771 -23.368 -17.536 1.00 43.43 H new ATOM 0 HG21 THR A 67 -37.451 -21.757 -18.081 1.00 41.11 H new ATOM 0 HG22 THR A 67 -36.989 -20.041 -17.977 1.00 41.11 H new ATOM 0 HG23 THR A 67 -36.337 -21.061 -19.282 1.00 41.11 H new ATOM 1058 N GLU A 68 -32.021 -21.221 -17.315 1.00 61.34 N ATOM 1059 CA GLU A 68 -30.830 -21.655 -16.594 1.00 42.54 C ATOM 1060 C GLU A 68 -29.998 -20.456 -16.148 1.00 12.44 C ATOM 1061 O GLU A 68 -29.921 -19.445 -16.845 1.00 63.44 O ATOM 1062 CB GLU A 68 -29.983 -22.578 -17.472 1.00 43.04 C ATOM 1063 CG GLU A 68 -30.765 -23.734 -18.072 1.00 32.43 C ATOM 1064 CD GLU A 68 -29.936 -24.564 -19.033 1.00 1.12 C ATOM 1065 OE1 GLU A 68 -29.053 -23.990 -19.704 1.00 13.21 O ATOM 1066 OE2 GLU A 68 -30.170 -25.788 -19.113 1.00 71.11 O ATOM 0 H GLU A 68 -31.926 -21.228 -18.331 1.00 61.34 H new ATOM 0 HA GLU A 68 -31.152 -22.203 -15.708 1.00 42.54 H new ATOM 0 HB2 GLU A 68 -29.540 -21.993 -18.278 1.00 43.04 H new ATOM 0 HB3 GLU A 68 -29.160 -22.976 -16.878 1.00 43.04 H new ATOM 0 HG2 GLU A 68 -31.133 -24.374 -17.270 1.00 32.43 H new ATOM 0 HG3 GLU A 68 -31.638 -23.344 -18.595 1.00 32.43 H new ATOM 1073 N GLY A 69 -29.378 -20.576 -14.978 1.00 4.03 N ATOM 1074 CA GLY A 69 -28.561 -19.496 -14.457 1.00 4.42 C ATOM 1075 C GLY A 69 -27.190 -19.443 -15.101 1.00 43.34 C ATOM 1076 O GLY A 69 -26.857 -20.280 -15.941 1.00 32.33 O ATOM 0 H GLY A 69 -29.427 -21.402 -14.382 1.00 4.03 H new ATOM 0 HA2 GLY A 69 -29.072 -18.547 -14.619 1.00 4.42 H new ATOM 0 HA3 GLY A 69 -28.448 -19.617 -13.380 1.00 4.42 H new ATOM 1080 N CYS A 70 -26.392 -18.455 -14.711 1.00 4.24 N ATOM 1081 CA CYS A 70 -25.050 -18.294 -15.257 1.00 3.50 C ATOM 1082 C CYS A 70 -23.994 -18.731 -14.245 1.00 52.42 C ATOM 1083 O CYS A 70 -23.072 -19.476 -14.578 1.00 10.32 O ATOM 1084 CB CYS A 70 -24.813 -16.837 -15.661 1.00 25.11 C ATOM 1085 SG CYS A 70 -25.536 -16.385 -17.271 1.00 3.35 S ATOM 0 H CYS A 70 -26.652 -17.753 -14.018 1.00 4.24 H new ATOM 0 HA CYS A 70 -24.966 -18.928 -16.140 1.00 3.50 H new ATOM 0 HB2 CYS A 70 -25.229 -16.186 -14.892 1.00 25.11 H new ATOM 0 HB3 CYS A 70 -23.740 -16.649 -15.691 1.00 25.11 H new ATOM 1090 N ILE A 71 -24.137 -18.262 -13.010 1.00 70.10 N ATOM 1091 CA ILE A 71 -23.197 -18.605 -11.950 1.00 34.50 C ATOM 1092 C ILE A 71 -23.028 -20.116 -11.834 1.00 23.51 C ATOM 1093 O ILE A 71 -21.973 -20.605 -11.427 1.00 13.10 O ATOM 1094 CB ILE A 71 -23.654 -18.045 -10.590 1.00 21.52 C ATOM 1095 CG1 ILE A 71 -23.767 -16.521 -10.653 1.00 51.05 C ATOM 1096 CG2 ILE A 71 -22.687 -18.465 -9.493 1.00 2.12 C ATOM 1097 CD1 ILE A 71 -24.665 -15.937 -9.585 1.00 42.44 C ATOM 0 H ILE A 71 -24.894 -17.644 -12.719 1.00 70.10 H new ATOM 0 HA ILE A 71 -22.241 -18.154 -12.217 1.00 34.50 H new ATOM 0 HB ILE A 71 -24.637 -18.454 -10.357 1.00 21.52 H new ATOM 0 HG12 ILE A 71 -22.772 -16.087 -10.557 1.00 51.05 H new ATOM 0 HG13 ILE A 71 -24.147 -16.233 -11.633 1.00 51.05 H new ATOM 0 HG21 ILE A 71 -23.023 -18.062 -8.538 1.00 2.12 H new ATOM 0 HG22 ILE A 71 -22.652 -19.553 -9.436 1.00 2.12 H new ATOM 0 HG23 ILE A 71 -21.692 -18.082 -9.719 1.00 2.12 H new ATOM 0 HD11 ILE A 71 -24.698 -14.853 -9.690 1.00 42.44 H new ATOM 0 HD12 ILE A 71 -25.671 -16.343 -9.693 1.00 42.44 H new ATOM 0 HD13 ILE A 71 -24.274 -16.194 -8.600 1.00 42.44 H new ATOM 1109 N LYS A 72 -24.073 -20.853 -12.196 1.00 24.11 N ATOM 1110 CA LYS A 72 -24.040 -22.310 -12.136 1.00 51.41 C ATOM 1111 C LYS A 72 -23.378 -22.891 -13.381 1.00 41.43 C ATOM 1112 O LYS A 72 -22.568 -23.814 -13.293 1.00 42.42 O ATOM 1113 CB LYS A 72 -25.458 -22.866 -11.993 1.00 33.51 C ATOM 1114 CG LYS A 72 -26.270 -22.189 -10.903 1.00 34.24 C ATOM 1115 CD LYS A 72 -25.717 -22.498 -9.522 1.00 31.34 C ATOM 1116 CE LYS A 72 -26.665 -22.036 -8.425 1.00 64.12 C ATOM 1117 NZ LYS A 72 -27.867 -22.909 -8.327 1.00 55.55 N ATOM 0 H LYS A 72 -24.954 -20.465 -12.534 1.00 24.11 H new ATOM 0 HA LYS A 72 -23.452 -22.600 -11.265 1.00 51.41 H new ATOM 0 HB2 LYS A 72 -25.980 -22.757 -12.944 1.00 33.51 H new ATOM 0 HB3 LYS A 72 -25.401 -23.934 -11.782 1.00 33.51 H new ATOM 0 HG2 LYS A 72 -26.269 -21.111 -11.064 1.00 34.24 H new ATOM 0 HG3 LYS A 72 -27.307 -22.519 -10.963 1.00 34.24 H new ATOM 0 HD2 LYS A 72 -25.546 -23.571 -9.429 1.00 31.34 H new ATOM 0 HD3 LYS A 72 -24.750 -22.010 -9.398 1.00 31.34 H new ATOM 0 HE2 LYS A 72 -26.140 -22.032 -7.470 1.00 64.12 H new ATOM 0 HE3 LYS A 72 -26.976 -21.010 -8.622 1.00 64.12 H new ATOM 0 HZ1 LYS A 72 -28.392 -22.680 -7.459 1.00 55.55 H new ATOM 0 HZ2 LYS A 72 -28.479 -22.752 -9.153 1.00 55.55 H new ATOM 0 HZ3 LYS A 72 -27.571 -23.906 -8.300 1.00 55.55 H new ATOM 1131 N LYS A 73 -23.726 -22.344 -14.541 1.00 53.30 N ATOM 1132 CA LYS A 73 -23.164 -22.805 -15.805 1.00 32.12 C ATOM 1133 C LYS A 73 -21.661 -22.552 -15.856 1.00 62.21 C ATOM 1134 O LYS A 73 -20.880 -23.452 -16.166 1.00 40.03 O ATOM 1135 CB LYS A 73 -23.851 -22.103 -16.979 1.00 24.14 C ATOM 1136 CG LYS A 73 -25.313 -22.479 -17.141 1.00 72.23 C ATOM 1137 CD LYS A 73 -25.473 -23.936 -17.541 1.00 70.50 C ATOM 1138 CE LYS A 73 -24.849 -24.213 -18.900 1.00 72.23 C ATOM 1139 NZ LYS A 73 -25.223 -25.558 -19.419 1.00 33.01 N ATOM 0 H LYS A 73 -24.396 -21.580 -14.632 1.00 53.30 H new ATOM 0 HA LYS A 73 -23.337 -23.879 -15.881 1.00 32.12 H new ATOM 0 HB2 LYS A 73 -23.775 -21.024 -16.841 1.00 24.14 H new ATOM 0 HB3 LYS A 73 -23.318 -22.345 -17.899 1.00 24.14 H new ATOM 0 HG2 LYS A 73 -25.842 -22.297 -16.206 1.00 72.23 H new ATOM 0 HG3 LYS A 73 -25.772 -21.841 -17.896 1.00 72.23 H new ATOM 0 HD2 LYS A 73 -25.008 -24.574 -16.789 1.00 70.50 H new ATOM 0 HD3 LYS A 73 -26.532 -24.193 -17.567 1.00 70.50 H new ATOM 0 HE2 LYS A 73 -25.168 -23.449 -19.609 1.00 72.23 H new ATOM 0 HE3 LYS A 73 -23.764 -24.143 -18.822 1.00 72.23 H new ATOM 0 HZ1 LYS A 73 -24.778 -25.708 -20.347 1.00 33.01 H new ATOM 0 HZ2 LYS A 73 -24.896 -26.289 -18.756 1.00 33.01 H new ATOM 0 HZ3 LYS A 73 -26.257 -25.617 -19.517 1.00 33.01 H new