USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=13 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= 0.384 K(o=0.12,f=-6.4!) USER MOD Set 1.2: A 51 TYR OH : rot 100:sc= 0.242 USER MOD Set 1.3: A 58 SER OG : rot -101:sc= -0.508 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0019 (180deg=-0.132) 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= -0.816 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.43 X(o=-2.4,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.0565 (180deg=-0.398) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0322 F(o=-0.95,f=-0.032) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.274 F(o=-0.73,f=0.27) 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 0.244 (180deg=0.0282) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.646 -12.631 -10.498 1.00 44.21 N ATOM 239 CA LEU A 16 -21.738 -12.682 -11.464 1.00 22.01 C ATOM 240 C LEU A 16 -23.001 -12.046 -10.892 1.00 44.41 C ATOM 241 O LEU A 16 -23.658 -11.241 -11.553 1.00 61.42 O ATOM 242 CB LEU A 16 -22.021 -14.130 -11.867 1.00 64.23 C ATOM 243 CG LEU A 16 -21.818 -14.467 -13.345 1.00 23.11 C ATOM 244 CD1 LEU A 16 -20.416 -14.082 -13.793 1.00 33.13 C ATOM 245 CD2 LEU A 16 -22.072 -15.947 -13.594 1.00 44.33 C ATOM 0 HA LEU A 16 -21.436 -12.118 -12.346 1.00 22.01 H new ATOM 0 HB2 LEU A 16 -21.380 -14.783 -11.275 1.00 64.23 H new ATOM 0 HB3 LEU A 16 -23.051 -14.366 -11.599 1.00 64.23 H new ATOM 0 HG LEU A 16 -22.535 -13.892 -13.931 1.00 23.11 H new ATOM 0 HD11 LEU A 16 -20.290 -14.329 -14.847 1.00 33.13 H new ATOM 0 HD12 LEU A 16 -20.270 -13.011 -13.652 1.00 33.13 H new ATOM 0 HD13 LEU A 16 -19.682 -14.629 -13.202 1.00 33.13 H new ATOM 0 HD21 LEU A 16 -21.923 -16.169 -14.651 1.00 44.33 H new ATOM 0 HD22 LEU A 16 -21.379 -16.540 -12.997 1.00 44.33 H new ATOM 0 HD23 LEU A 16 -23.096 -16.193 -13.312 1.00 44.33 H new ATOM 257 N LYS A 17 -23.334 -12.409 -9.658 1.00 65.22 N ATOM 258 CA LYS A 17 -24.515 -11.872 -8.994 1.00 53.03 C ATOM 259 C LYS A 17 -24.486 -10.347 -8.982 1.00 13.03 C ATOM 260 O LYS A 17 -25.523 -9.695 -9.105 1.00 52.34 O ATOM 261 CB LYS A 17 -24.606 -12.403 -7.562 1.00 14.21 C ATOM 262 CG LYS A 17 -25.281 -13.759 -7.458 1.00 34.53 C ATOM 263 CD LYS A 17 -26.795 -13.630 -7.451 1.00 33.11 C ATOM 264 CE LYS A 17 -27.443 -14.703 -6.588 1.00 45.24 C ATOM 265 NZ LYS A 17 -27.213 -14.461 -5.137 1.00 64.21 N ATOM 0 H LYS A 17 -22.801 -13.074 -9.097 1.00 65.22 H new ATOM 0 HA LYS A 17 -25.394 -12.196 -9.551 1.00 53.03 H new ATOM 0 HB2 LYS A 17 -23.601 -12.474 -7.145 1.00 14.21 H new ATOM 0 HB3 LYS A 17 -25.155 -11.686 -6.952 1.00 14.21 H new ATOM 0 HG2 LYS A 17 -24.972 -14.385 -8.295 1.00 34.53 H new ATOM 0 HG3 LYS A 17 -24.954 -14.260 -6.547 1.00 34.53 H new ATOM 0 HD2 LYS A 17 -27.075 -12.644 -7.079 1.00 33.11 H new ATOM 0 HD3 LYS A 17 -27.172 -13.705 -8.471 1.00 33.11 H new ATOM 0 HE2 LYS A 17 -28.514 -14.731 -6.786 1.00 45.24 H new ATOM 0 HE3 LYS A 17 -27.043 -15.679 -6.861 1.00 45.24 H new ATOM 0 HZ1 LYS A 17 -27.899 -15.010 -4.580 1.00 64.21 H new ATOM 0 HZ2 LYS A 17 -26.248 -14.756 -4.885 1.00 64.21 H new ATOM 0 HZ3 LYS A 17 -27.331 -13.448 -4.931 1.00 64.21 H new ATOM 279 N LYS A 18 -23.292 -9.784 -8.833 1.00 11.31 N ATOM 280 CA LYS A 18 -23.127 -8.335 -8.807 1.00 24.31 C ATOM 281 C LYS A 18 -23.181 -7.756 -10.217 1.00 33.10 C ATOM 282 O LYS A 18 -23.687 -6.653 -10.427 1.00 12.22 O ATOM 283 CB LYS A 18 -21.798 -7.965 -8.143 1.00 54.11 C ATOM 284 CG LYS A 18 -21.872 -7.903 -6.627 1.00 74.33 C ATOM 285 CD LYS A 18 -20.492 -7.772 -6.006 1.00 63.25 C ATOM 286 CE LYS A 18 -19.796 -9.121 -5.904 1.00 13.01 C ATOM 287 NZ LYS A 18 -18.624 -9.072 -4.987 1.00 32.33 N ATOM 0 H LYS A 18 -22.424 -10.309 -8.728 1.00 11.31 H new ATOM 0 HA LYS A 18 -23.947 -7.911 -8.227 1.00 24.31 H new ATOM 0 HB2 LYS A 18 -21.042 -8.695 -8.432 1.00 54.11 H new ATOM 0 HB3 LYS A 18 -21.469 -6.998 -8.522 1.00 54.11 H new ATOM 0 HG2 LYS A 18 -22.489 -7.056 -6.326 1.00 74.33 H new ATOM 0 HG3 LYS A 18 -22.358 -8.802 -6.249 1.00 74.33 H new ATOM 0 HD2 LYS A 18 -19.885 -7.093 -6.605 1.00 63.25 H new ATOM 0 HD3 LYS A 18 -20.579 -7.330 -5.013 1.00 63.25 H new ATOM 0 HE2 LYS A 18 -20.504 -9.869 -5.548 1.00 13.01 H new ATOM 0 HE3 LYS A 18 -19.469 -9.437 -6.895 1.00 13.01 H new ATOM 0 HZ1 LYS A 18 -18.177 -10.010 -4.945 1.00 32.33 H new ATOM 0 HZ2 LYS A 18 -17.936 -8.376 -5.340 1.00 32.33 H new ATOM 0 HZ3 LYS A 18 -18.939 -8.795 -4.035 1.00 32.33 H new ATOM 301 N LEU A 19 -22.659 -8.507 -11.181 1.00 10.25 N ATOM 302 CA LEU A 19 -22.650 -8.068 -12.572 1.00 22.51 C ATOM 303 C LEU A 19 -24.068 -7.817 -13.073 1.00 74.41 C ATOM 304 O LEU A 19 -24.374 -6.743 -13.591 1.00 60.45 O ATOM 305 CB LEU A 19 -21.963 -9.114 -13.452 1.00 73.32 C ATOM 306 CG LEU A 19 -20.461 -8.927 -13.670 1.00 15.01 C ATOM 307 CD1 LEU A 19 -19.793 -10.263 -13.955 1.00 43.32 C ATOM 308 CD2 LEU A 19 -20.205 -7.947 -14.806 1.00 14.15 C ATOM 0 H LEU A 19 -22.237 -9.422 -11.025 1.00 10.25 H new ATOM 0 HA LEU A 19 -22.094 -7.132 -12.629 1.00 22.51 H new ATOM 0 HB2 LEU A 19 -22.126 -10.096 -13.008 1.00 73.32 H new ATOM 0 HB3 LEU A 19 -22.453 -9.119 -14.426 1.00 73.32 H new ATOM 0 HG LEU A 19 -20.029 -8.515 -12.758 1.00 15.01 H new ATOM 0 HD11 LEU A 19 -18.725 -10.110 -14.108 1.00 43.32 H new ATOM 0 HD12 LEU A 19 -19.947 -10.934 -13.110 1.00 43.32 H new ATOM 0 HD13 LEU A 19 -20.228 -10.703 -14.852 1.00 43.32 H new ATOM 0 HD21 LEU A 19 -19.131 -7.826 -14.947 1.00 14.15 H new ATOM 0 HD22 LEU A 19 -20.651 -8.330 -15.724 1.00 14.15 H new ATOM 0 HD23 LEU A 19 -20.650 -6.982 -14.562 1.00 14.15 H new ATOM 320 N VAL A 20 -24.932 -8.815 -12.913 1.00 53.12 N ATOM 321 CA VAL A 20 -26.320 -8.701 -13.346 1.00 61.42 C ATOM 322 C VAL A 20 -27.020 -7.539 -12.650 1.00 65.41 C ATOM 323 O VAL A 20 -27.957 -6.952 -13.190 1.00 72.44 O ATOM 324 CB VAL A 20 -27.103 -9.998 -13.068 1.00 64.40 C ATOM 325 CG1 VAL A 20 -27.209 -10.247 -11.571 1.00 75.23 C ATOM 326 CG2 VAL A 20 -28.482 -9.935 -13.706 1.00 51.01 C ATOM 0 H VAL A 20 -24.695 -9.711 -12.487 1.00 53.12 H new ATOM 0 HA VAL A 20 -26.302 -8.519 -14.421 1.00 61.42 H new ATOM 0 HB VAL A 20 -26.561 -10.832 -13.513 1.00 64.40 H new ATOM 0 HG11 VAL A 20 -27.765 -11.167 -11.394 1.00 75.23 H new ATOM 0 HG12 VAL A 20 -26.210 -10.339 -11.146 1.00 75.23 H new ATOM 0 HG13 VAL A 20 -27.728 -9.413 -11.099 1.00 75.23 H new ATOM 0 HG21 VAL A 20 -29.021 -10.860 -13.499 1.00 51.01 H new ATOM 0 HG22 VAL A 20 -29.036 -9.092 -13.293 1.00 51.01 H new ATOM 0 HG23 VAL A 20 -28.379 -9.808 -14.784 1.00 51.01 H new ATOM 336 N ASP A 21 -26.557 -7.212 -11.449 1.00 11.04 N ATOM 337 CA ASP A 21 -27.137 -6.118 -10.678 1.00 73.20 C ATOM 338 C ASP A 21 -26.624 -4.771 -11.176 1.00 1.33 C ATOM 339 O ASP A 21 -27.327 -3.763 -11.108 1.00 55.54 O ATOM 340 CB ASP A 21 -26.813 -6.284 -9.193 1.00 32.54 C ATOM 341 CG ASP A 21 -27.794 -5.550 -8.300 1.00 41.42 C ATOM 342 OD1 ASP A 21 -28.932 -5.299 -8.749 1.00 51.42 O ATOM 343 OD2 ASP A 21 -27.424 -5.226 -7.152 1.00 63.24 O ATOM 0 H ASP A 21 -25.782 -7.688 -10.988 1.00 11.04 H new ATOM 0 HA ASP A 21 -28.219 -6.146 -10.811 1.00 73.20 H new ATOM 0 HB2 ASP A 21 -26.819 -7.344 -8.939 1.00 32.54 H new ATOM 0 HB3 ASP A 21 -25.805 -5.915 -9.001 1.00 32.54 H new ATOM 348 N LYS A 22 -25.392 -4.760 -11.675 1.00 35.14 N ATOM 349 CA LYS A 22 -24.783 -3.537 -12.184 1.00 73.32 C ATOM 350 C LYS A 22 -24.829 -3.501 -13.708 1.00 53.24 C ATOM 351 O LYS A 22 -24.077 -2.762 -14.344 1.00 71.02 O ATOM 352 CB LYS A 22 -23.334 -3.427 -11.704 1.00 54.43 C ATOM 353 CG LYS A 22 -23.187 -3.493 -10.194 1.00 71.40 C ATOM 354 CD LYS A 22 -21.814 -4.004 -9.790 1.00 34.43 C ATOM 355 CE LYS A 22 -20.746 -2.938 -9.976 1.00 23.22 C ATOM 356 NZ LYS A 22 -19.606 -3.125 -9.035 1.00 15.30 N ATOM 0 H LYS A 22 -24.796 -5.585 -11.738 1.00 35.14 H new ATOM 0 HA LYS A 22 -25.352 -2.690 -11.800 1.00 73.32 H new ATOM 0 HB2 LYS A 22 -22.749 -4.230 -12.153 1.00 54.43 H new ATOM 0 HB3 LYS A 22 -22.912 -2.488 -12.061 1.00 54.43 H new ATOM 0 HG2 LYS A 22 -23.348 -2.503 -9.768 1.00 71.40 H new ATOM 0 HG3 LYS A 22 -23.956 -4.146 -9.781 1.00 71.40 H new ATOM 0 HD2 LYS A 22 -21.835 -4.321 -8.747 1.00 34.43 H new ATOM 0 HD3 LYS A 22 -21.561 -4.881 -10.385 1.00 34.43 H new ATOM 0 HE2 LYS A 22 -20.379 -2.967 -11.002 1.00 23.22 H new ATOM 0 HE3 LYS A 22 -21.186 -1.953 -9.823 1.00 23.22 H new ATOM 0 HZ1 LYS A 22 -18.899 -2.379 -9.193 1.00 15.30 H new ATOM 0 HZ2 LYS A 22 -19.952 -3.072 -8.056 1.00 15.30 H new ATOM 0 HZ3 LYS A 22 -19.170 -4.055 -9.198 1.00 15.30 H new ATOM 370 N TYR A 23 -25.717 -4.301 -14.288 1.00 61.21 N ATOM 371 CA TYR A 23 -25.860 -4.361 -15.738 1.00 11.21 C ATOM 372 C TYR A 23 -26.228 -2.993 -16.306 1.00 22.33 C ATOM 373 O TYR A 23 -25.686 -2.566 -17.325 1.00 5.32 O ATOM 374 CB TYR A 23 -26.925 -5.389 -16.124 1.00 44.14 C ATOM 375 CG TYR A 23 -27.071 -5.576 -17.618 1.00 33.44 C ATOM 376 CD1 TYR A 23 -27.795 -4.671 -18.384 1.00 33.34 C ATOM 377 CD2 TYR A 23 -26.485 -6.659 -18.262 1.00 41.44 C ATOM 378 CE1 TYR A 23 -27.933 -4.839 -19.748 1.00 24.31 C ATOM 379 CE2 TYR A 23 -26.616 -6.834 -19.627 1.00 4.34 C ATOM 380 CZ TYR A 23 -27.341 -5.922 -20.365 1.00 2.23 C ATOM 381 OH TYR A 23 -27.474 -6.092 -21.724 1.00 1.12 O ATOM 0 H TYR A 23 -26.349 -4.917 -13.776 1.00 61.21 H new ATOM 0 HA TYR A 23 -24.902 -4.664 -16.160 1.00 11.21 H new ATOM 0 HB2 TYR A 23 -26.675 -6.347 -15.669 1.00 44.14 H new ATOM 0 HB3 TYR A 23 -27.884 -5.080 -15.709 1.00 44.14 H new ATOM 0 HD1 TYR A 23 -28.258 -3.821 -17.905 1.00 33.34 H new ATOM 0 HD2 TYR A 23 -25.918 -7.376 -17.687 1.00 41.44 H new ATOM 0 HE1 TYR A 23 -28.501 -4.127 -20.328 1.00 24.31 H new ATOM 0 HE2 TYR A 23 -26.153 -7.680 -20.113 1.00 4.34 H new ATOM 0 HH TYR A 23 -26.997 -6.902 -22.001 1.00 1.12 H new ATOM 391 N ARG A 24 -27.153 -2.312 -15.638 1.00 1.13 N ATOM 392 CA ARG A 24 -27.595 -0.993 -16.075 1.00 24.13 C ATOM 393 C ARG A 24 -26.761 0.104 -15.419 1.00 51.34 C ATOM 394 O ARG A 24 -27.119 1.280 -15.465 1.00 53.21 O ATOM 395 CB ARG A 24 -29.074 -0.791 -15.743 1.00 33.44 C ATOM 396 CG ARG A 24 -29.956 -1.958 -16.158 1.00 11.24 C ATOM 397 CD ARG A 24 -30.272 -2.864 -14.978 1.00 60.44 C ATOM 398 NE ARG A 24 -31.588 -2.584 -14.410 1.00 23.43 N ATOM 399 CZ ARG A 24 -32.070 -3.199 -13.335 1.00 4.51 C ATOM 400 NH1 ARG A 24 -31.348 -4.122 -12.715 1.00 64.04 N ATOM 401 NH2 ARG A 24 -33.276 -2.889 -12.877 1.00 50.24 N ATOM 0 H ARG A 24 -27.611 -2.652 -14.792 1.00 1.13 H new ATOM 0 HA ARG A 24 -27.461 -0.932 -17.155 1.00 24.13 H new ATOM 0 HB2 ARG A 24 -29.178 -0.631 -14.670 1.00 33.44 H new ATOM 0 HB3 ARG A 24 -29.428 0.114 -16.236 1.00 33.44 H new ATOM 0 HG2 ARG A 24 -30.884 -1.580 -16.587 1.00 11.24 H new ATOM 0 HG3 ARG A 24 -29.457 -2.534 -16.937 1.00 11.24 H new ATOM 0 HD2 ARG A 24 -30.230 -3.905 -15.299 1.00 60.44 H new ATOM 0 HD3 ARG A 24 -29.510 -2.736 -14.209 1.00 60.44 H new ATOM 0 HE ARG A 24 -32.169 -1.878 -14.863 1.00 23.43 H new ATOM 0 HH11 ARG A 24 -30.420 -4.362 -13.063 1.00 64.04 H new ATOM 0 HH12 ARG A 24 -31.721 -4.592 -11.890 1.00 64.04 H new ATOM 0 HH21 ARG A 24 -33.834 -2.178 -13.350 1.00 50.24 H new ATOM 0 HH22 ARG A 24 -33.645 -3.362 -12.052 1.00 50.24 H new ATOM 415 N ASN A 25 -25.648 -0.290 -14.810 1.00 3.23 N ATOM 416 CA ASN A 25 -24.764 0.660 -14.144 1.00 3.00 C ATOM 417 C ASN A 25 -23.536 0.953 -15.001 1.00 23.23 C ATOM 418 O ASN A 25 -23.058 2.086 -15.052 1.00 3.21 O ATOM 419 CB ASN A 25 -24.331 0.116 -12.781 1.00 3.41 C ATOM 420 CG ASN A 25 -25.398 0.300 -11.720 1.00 12.15 C ATOM 421 OD1 ASN A 25 -26.574 -0.269 -11.959 1.00 21.52 O flip ATOM 422 ND2 ASN A 25 -25.168 0.946 -10.697 1.00 11.43 N flip ATOM 0 H ASN A 25 -25.336 -1.260 -14.764 1.00 3.23 H new ATOM 0 HA ASN A 25 -25.314 1.590 -13.999 1.00 3.00 H new ATOM 0 HB2 ASN A 25 -24.094 -0.944 -12.874 1.00 3.41 H new ATOM 0 HB3 ASN A 25 -23.418 0.620 -12.465 1.00 3.41 H new ATOM 0 HD21 ASN A 25 -24.249 1.366 -10.555 1.00 11.43 H new ATOM 0 HD22 ASN A 25 -25.896 1.061 -9.992 1.00 11.43 H new ATOM 429 N ASP A 26 -23.031 -0.076 -15.672 1.00 24.31 N ATOM 430 CA ASP A 26 -21.859 0.070 -16.528 1.00 53.22 C ATOM 431 C ASP A 26 -22.125 -0.506 -17.916 1.00 0.34 C ATOM 432 O ASP A 26 -22.594 -1.635 -18.049 1.00 74.21 O ATOM 433 CB ASP A 26 -20.650 -0.623 -15.898 1.00 13.23 C ATOM 434 CG ASP A 26 -19.504 0.335 -15.639 1.00 62.11 C ATOM 435 OD1 ASP A 26 -19.753 1.419 -15.073 1.00 55.40 O ATOM 436 OD2 ASP A 26 -18.357 0.000 -16.004 1.00 0.24 O ATOM 0 H ASP A 26 -23.415 -1.021 -15.640 1.00 24.31 H new ATOM 0 HA ASP A 26 -21.645 1.134 -16.630 1.00 53.22 H new ATOM 0 HB2 ASP A 26 -20.950 -1.088 -14.959 1.00 13.23 H new ATOM 0 HB3 ASP A 26 -20.310 -1.423 -16.556 1.00 13.23 H new ATOM 441 N GLU A 27 -21.822 0.279 -18.945 1.00 12.53 N ATOM 442 CA GLU A 27 -22.031 -0.153 -20.322 1.00 4.33 C ATOM 443 C GLU A 27 -21.136 -1.342 -20.660 1.00 51.20 C ATOM 444 O GLU A 27 -21.573 -2.300 -21.298 1.00 71.20 O ATOM 445 CB GLU A 27 -21.753 1.000 -21.289 1.00 71.10 C ATOM 446 CG GLU A 27 -20.363 1.595 -21.143 1.00 43.25 C ATOM 447 CD GLU A 27 -20.296 3.040 -21.598 1.00 14.43 C ATOM 448 OE1 GLU A 27 -21.271 3.511 -22.220 1.00 53.24 O ATOM 449 OE2 GLU A 27 -19.271 3.700 -21.331 1.00 5.30 O ATOM 0 H GLU A 27 -21.431 1.217 -18.851 1.00 12.53 H new ATOM 0 HA GLU A 27 -23.071 -0.462 -20.426 1.00 4.33 H new ATOM 0 HB2 GLU A 27 -21.881 0.645 -22.311 1.00 71.10 H new ATOM 0 HB3 GLU A 27 -22.493 1.784 -21.129 1.00 71.10 H new ATOM 0 HG2 GLU A 27 -20.053 1.532 -20.100 1.00 43.25 H new ATOM 0 HG3 GLU A 27 -19.655 1.002 -21.723 1.00 43.25 H new ATOM 456 N HIS A 28 -19.881 -1.272 -20.228 1.00 63.14 N ATOM 457 CA HIS A 28 -18.924 -2.342 -20.485 1.00 65.41 C ATOM 458 C HIS A 28 -19.429 -3.669 -19.927 1.00 34.12 C ATOM 459 O HIS A 28 -19.117 -4.736 -20.455 1.00 71.33 O ATOM 460 CB HIS A 28 -17.567 -2.000 -19.869 1.00 22.54 C ATOM 461 CG HIS A 28 -16.816 -0.944 -20.620 1.00 75.31 C ATOM 462 ND1 HIS A 28 -15.525 -0.574 -20.310 1.00 0.21 N ATOM 463 CD2 HIS A 28 -17.183 -0.179 -21.675 1.00 23.30 C ATOM 464 CE1 HIS A 28 -15.130 0.375 -21.140 1.00 61.43 C ATOM 465 NE2 HIS A 28 -16.117 0.632 -21.979 1.00 33.00 N ATOM 0 H HIS A 28 -19.503 -0.486 -19.699 1.00 63.14 H new ATOM 0 HA HIS A 28 -18.810 -2.442 -21.564 1.00 65.41 H new ATOM 0 HB2 HIS A 28 -17.717 -1.666 -18.842 1.00 22.54 H new ATOM 0 HB3 HIS A 28 -16.959 -2.904 -19.825 1.00 22.54 H new ATOM 0 HD2 HIS A 28 -18.136 -0.202 -22.183 1.00 23.30 H new ATOM 0 HE1 HIS A 28 -14.164 0.858 -21.133 1.00 61.43 H new ATOM 0 HE2 HIS A 28 -16.092 1.321 -22.731 1.00 33.00 H new ATOM 474 N VAL A 29 -20.212 -3.595 -18.855 1.00 2.23 N ATOM 475 CA VAL A 29 -20.761 -4.789 -18.225 1.00 32.51 C ATOM 476 C VAL A 29 -21.851 -5.414 -19.088 1.00 73.14 C ATOM 477 O VAL A 29 -22.007 -6.635 -19.123 1.00 0.14 O ATOM 478 CB VAL A 29 -21.342 -4.474 -16.833 1.00 65.05 C ATOM 479 CG1 VAL A 29 -21.983 -5.714 -16.229 1.00 12.52 C ATOM 480 CG2 VAL A 29 -20.259 -3.923 -15.918 1.00 20.34 C ATOM 0 H VAL A 29 -20.480 -2.720 -18.405 1.00 2.23 H new ATOM 0 HA VAL A 29 -19.938 -5.495 -18.116 1.00 32.51 H new ATOM 0 HB VAL A 29 -22.115 -3.713 -16.943 1.00 65.05 H new ATOM 0 HG11 VAL A 29 -22.388 -5.472 -15.246 1.00 12.52 H new ATOM 0 HG12 VAL A 29 -22.788 -6.060 -16.878 1.00 12.52 H new ATOM 0 HG13 VAL A 29 -21.234 -6.499 -16.130 1.00 12.52 H new ATOM 0 HG21 VAL A 29 -20.686 -3.706 -14.939 1.00 20.34 H new ATOM 0 HG22 VAL A 29 -19.463 -4.660 -15.811 1.00 20.34 H new ATOM 0 HG23 VAL A 29 -19.851 -3.008 -16.347 1.00 20.34 H new ATOM 490 N ARG A 30 -22.603 -4.569 -19.785 1.00 55.34 N ATOM 491 CA ARG A 30 -23.680 -5.038 -20.649 1.00 53.21 C ATOM 492 C ARG A 30 -23.132 -5.903 -21.780 1.00 51.02 C ATOM 493 O ARG A 30 -23.564 -7.040 -21.973 1.00 13.34 O ATOM 494 CB ARG A 30 -24.452 -3.851 -21.229 1.00 3.33 C ATOM 495 CG ARG A 30 -24.991 -2.901 -20.172 1.00 54.30 C ATOM 496 CD ARG A 30 -25.680 -1.700 -20.802 1.00 5.31 C ATOM 497 NE ARG A 30 -26.782 -2.096 -21.674 1.00 13.34 N ATOM 498 CZ ARG A 30 -27.664 -1.240 -22.178 1.00 12.10 C ATOM 499 NH1 ARG A 30 -27.573 0.053 -21.899 1.00 5.00 N ATOM 500 NH2 ARG A 30 -28.640 -1.677 -22.964 1.00 11.13 N ATOM 0 H ARG A 30 -22.487 -3.556 -19.768 1.00 55.34 H new ATOM 0 HA ARG A 30 -24.357 -5.643 -20.046 1.00 53.21 H new ATOM 0 HB2 ARG A 30 -23.798 -3.298 -21.903 1.00 3.33 H new ATOM 0 HB3 ARG A 30 -25.283 -4.226 -21.827 1.00 3.33 H new ATOM 0 HG2 ARG A 30 -25.695 -3.431 -19.530 1.00 54.30 H new ATOM 0 HG3 ARG A 30 -24.174 -2.561 -19.536 1.00 54.30 H new ATOM 0 HD2 ARG A 30 -26.057 -1.045 -20.016 1.00 5.31 H new ATOM 0 HD3 ARG A 30 -24.953 -1.125 -21.375 1.00 5.31 H new ATOM 0 HE ARG A 30 -26.880 -3.084 -21.909 1.00 13.34 H new ATOM 0 HH11 ARG A 30 -26.824 0.393 -21.296 1.00 5.00 H new ATOM 0 HH12 ARG A 30 -28.252 0.708 -22.288 1.00 5.00 H new ATOM 0 HH21 ARG A 30 -28.713 -2.671 -23.182 1.00 11.13 H new ATOM 0 HH22 ARG A 30 -29.317 -1.019 -23.351 1.00 11.13 H new ATOM 514 N LYS A 31 -22.178 -5.357 -22.527 1.00 31.04 N ATOM 515 CA LYS A 31 -21.569 -6.078 -23.638 1.00 53.44 C ATOM 516 C LYS A 31 -20.879 -7.348 -23.151 1.00 54.30 C ATOM 517 O LYS A 31 -20.874 -8.367 -23.841 1.00 72.31 O ATOM 518 CB LYS A 31 -20.561 -5.182 -24.362 1.00 60.53 C ATOM 519 CG LYS A 31 -19.257 -4.999 -23.605 1.00 12.11 C ATOM 520 CD LYS A 31 -18.269 -4.155 -24.392 1.00 51.23 C ATOM 521 CE LYS A 31 -17.477 -4.999 -25.379 1.00 52.11 C ATOM 522 NZ LYS A 31 -16.195 -4.346 -25.763 1.00 61.31 N ATOM 0 H LYS A 31 -21.810 -4.417 -22.383 1.00 31.04 H new ATOM 0 HA LYS A 31 -22.360 -6.360 -24.333 1.00 53.44 H new ATOM 0 HB2 LYS A 31 -20.346 -5.609 -25.342 1.00 60.53 H new ATOM 0 HB3 LYS A 31 -21.013 -4.205 -24.532 1.00 60.53 H new ATOM 0 HG2 LYS A 31 -19.457 -4.525 -22.644 1.00 12.11 H new ATOM 0 HG3 LYS A 31 -18.817 -5.974 -23.395 1.00 12.11 H new ATOM 0 HD2 LYS A 31 -18.805 -3.372 -24.929 1.00 51.23 H new ATOM 0 HD3 LYS A 31 -17.584 -3.659 -23.704 1.00 51.23 H new ATOM 0 HE2 LYS A 31 -17.270 -5.974 -24.939 1.00 52.11 H new ATOM 0 HE3 LYS A 31 -18.078 -5.173 -26.272 1.00 52.11 H new ATOM 0 HZ1 LYS A 31 -15.685 -4.952 -26.437 1.00 61.31 H new ATOM 0 HZ2 LYS A 31 -16.393 -3.426 -26.206 1.00 61.31 H new ATOM 0 HZ3 LYS A 31 -15.611 -4.203 -24.915 1.00 61.31 H new ATOM 536 N VAL A 32 -20.299 -7.280 -21.957 1.00 50.31 N ATOM 537 CA VAL A 32 -19.609 -8.425 -21.376 1.00 44.03 C ATOM 538 C VAL A 32 -20.596 -9.512 -20.967 1.00 62.44 C ATOM 539 O VAL A 32 -20.412 -10.686 -21.291 1.00 33.01 O ATOM 540 CB VAL A 32 -18.776 -8.014 -20.147 1.00 60.32 C ATOM 541 CG1 VAL A 32 -18.306 -9.244 -19.386 1.00 4.05 C ATOM 542 CG2 VAL A 32 -17.595 -7.153 -20.568 1.00 65.41 C ATOM 0 H VAL A 32 -20.293 -6.444 -21.373 1.00 50.31 H new ATOM 0 HA VAL A 32 -18.941 -8.815 -22.144 1.00 44.03 H new ATOM 0 HB VAL A 32 -19.407 -7.424 -19.482 1.00 60.32 H new ATOM 0 HG11 VAL A 32 -17.719 -8.935 -18.521 1.00 4.05 H new ATOM 0 HG12 VAL A 32 -19.171 -9.817 -19.052 1.00 4.05 H new ATOM 0 HG13 VAL A 32 -17.691 -9.863 -20.039 1.00 4.05 H new ATOM 0 HG21 VAL A 32 -17.018 -6.872 -19.687 1.00 65.41 H new ATOM 0 HG22 VAL A 32 -16.961 -7.715 -21.253 1.00 65.41 H new ATOM 0 HG23 VAL A 32 -17.959 -6.254 -21.065 1.00 65.41 H new ATOM 552 N PHE A 33 -21.644 -9.114 -20.254 1.00 71.33 N ATOM 553 CA PHE A 33 -22.662 -10.055 -19.800 1.00 65.11 C ATOM 554 C PHE A 33 -23.497 -10.561 -20.973 1.00 25.24 C ATOM 555 O PHE A 33 -24.088 -11.639 -20.908 1.00 11.01 O ATOM 556 CB PHE A 33 -23.569 -9.395 -18.760 1.00 53.23 C ATOM 557 CG PHE A 33 -23.910 -10.292 -17.605 1.00 62.53 C ATOM 558 CD1 PHE A 33 -23.021 -10.460 -16.556 1.00 30.52 C ATOM 559 CD2 PHE A 33 -25.119 -10.969 -17.569 1.00 44.15 C ATOM 560 CE1 PHE A 33 -23.331 -11.286 -15.491 1.00 54.41 C ATOM 561 CE2 PHE A 33 -25.435 -11.795 -16.507 1.00 44.24 C ATOM 562 CZ PHE A 33 -24.539 -11.954 -15.468 1.00 35.44 C ATOM 0 H PHE A 33 -21.811 -8.146 -19.978 1.00 71.33 H new ATOM 0 HA PHE A 33 -22.157 -10.906 -19.343 1.00 65.11 H new ATOM 0 HB2 PHE A 33 -23.080 -8.498 -18.381 1.00 53.23 H new ATOM 0 HB3 PHE A 33 -24.491 -9.075 -19.245 1.00 53.23 H new ATOM 0 HD1 PHE A 33 -22.075 -9.940 -16.570 1.00 30.52 H new ATOM 0 HD2 PHE A 33 -25.822 -10.850 -18.380 1.00 44.15 H new ATOM 0 HE1 PHE A 33 -22.630 -11.408 -14.679 1.00 54.41 H new ATOM 0 HE2 PHE A 33 -26.381 -12.315 -16.490 1.00 44.24 H new ATOM 0 HZ PHE A 33 -24.783 -12.601 -14.638 1.00 35.44 H new ATOM 572 N ASP A 34 -23.540 -9.775 -22.043 1.00 22.42 N ATOM 573 CA ASP A 34 -24.302 -10.143 -23.231 1.00 5.11 C ATOM 574 C ASP A 34 -23.625 -11.289 -23.977 1.00 53.21 C ATOM 575 O ASP A 34 -24.271 -12.271 -24.340 1.00 62.43 O ATOM 576 CB ASP A 34 -24.456 -8.936 -24.157 1.00 53.41 C ATOM 577 CG ASP A 34 -25.001 -9.317 -25.520 1.00 23.34 C ATOM 578 OD1 ASP A 34 -24.230 -9.868 -26.334 1.00 31.12 O ATOM 579 OD2 ASP A 34 -26.198 -9.066 -25.771 1.00 64.14 O ATOM 0 H ASP A 34 -23.057 -8.880 -22.112 1.00 22.42 H new ATOM 0 HA ASP A 34 -25.290 -10.475 -22.911 1.00 5.11 H new ATOM 0 HB2 ASP A 34 -25.122 -8.209 -23.693 1.00 53.41 H new ATOM 0 HB3 ASP A 34 -23.488 -8.450 -24.279 1.00 53.41 H new ATOM 584 N GLU A 35 -22.322 -11.154 -24.203 1.00 11.03 N ATOM 585 CA GLU A 35 -21.560 -12.178 -24.908 1.00 3.24 C ATOM 586 C GLU A 35 -21.473 -13.457 -24.081 1.00 24.35 C ATOM 587 O GLU A 35 -21.550 -14.563 -24.618 1.00 4.51 O ATOM 588 CB GLU A 35 -20.153 -11.668 -25.228 1.00 11.21 C ATOM 589 CG GLU A 35 -19.374 -11.221 -24.002 1.00 50.23 C ATOM 590 CD GLU A 35 -17.988 -10.712 -24.346 1.00 43.40 C ATOM 591 OE1 GLU A 35 -17.140 -11.530 -24.760 1.00 11.14 O ATOM 592 OE2 GLU A 35 -17.751 -9.494 -24.201 1.00 41.14 O ATOM 0 H GLU A 35 -21.773 -10.347 -23.909 1.00 11.03 H new ATOM 0 HA GLU A 35 -22.078 -12.403 -25.840 1.00 3.24 H new ATOM 0 HB2 GLU A 35 -19.596 -12.457 -25.734 1.00 11.21 H new ATOM 0 HB3 GLU A 35 -20.228 -10.833 -25.925 1.00 11.21 H new ATOM 0 HG2 GLU A 35 -19.929 -10.435 -23.490 1.00 50.23 H new ATOM 0 HG3 GLU A 35 -19.288 -12.056 -23.306 1.00 50.23 H new ATOM 599 N ILE A 36 -21.311 -13.298 -22.771 1.00 71.43 N ATOM 600 CA ILE A 36 -21.214 -14.440 -21.870 1.00 41.10 C ATOM 601 C ILE A 36 -22.545 -15.178 -21.772 1.00 1.53 C ATOM 602 O ILE A 36 -22.581 -16.406 -21.708 1.00 0.04 O ATOM 603 CB ILE A 36 -20.774 -14.007 -20.459 1.00 32.21 C ATOM 604 CG1 ILE A 36 -19.409 -13.318 -20.515 1.00 73.12 C ATOM 605 CG2 ILE A 36 -20.729 -15.209 -19.527 1.00 0.45 C ATOM 606 CD1 ILE A 36 -19.142 -12.410 -19.336 1.00 1.43 C ATOM 0 H ILE A 36 -21.244 -12.390 -22.311 1.00 71.43 H new ATOM 0 HA ILE A 36 -20.461 -15.109 -22.287 1.00 41.10 H new ATOM 0 HB ILE A 36 -21.502 -13.296 -20.069 1.00 32.21 H new ATOM 0 HG12 ILE A 36 -18.629 -14.078 -20.562 1.00 73.12 H new ATOM 0 HG13 ILE A 36 -19.342 -12.736 -21.434 1.00 73.12 H new ATOM 0 HG21 ILE A 36 -20.416 -14.888 -18.533 1.00 0.45 H new ATOM 0 HG22 ILE A 36 -21.719 -15.661 -19.467 1.00 0.45 H new ATOM 0 HG23 ILE A 36 -20.019 -15.941 -19.912 1.00 0.45 H new ATOM 0 HD11 ILE A 36 -18.157 -11.956 -19.442 1.00 1.43 H new ATOM 0 HD12 ILE A 36 -19.900 -11.628 -19.300 1.00 1.43 H new ATOM 0 HD13 ILE A 36 -19.176 -12.991 -18.414 1.00 1.43 H new ATOM 618 N GLN A 37 -23.636 -14.419 -21.762 1.00 73.02 N ATOM 619 CA GLN A 37 -24.970 -15.001 -21.673 1.00 70.50 C ATOM 620 C GLN A 37 -25.290 -15.823 -22.918 1.00 2.42 C ATOM 621 O GLN A 37 -25.921 -16.876 -22.832 1.00 44.21 O ATOM 622 CB GLN A 37 -26.018 -13.903 -21.489 1.00 52.44 C ATOM 623 CG GLN A 37 -26.204 -13.475 -20.043 1.00 1.35 C ATOM 624 CD GLN A 37 -27.164 -12.311 -19.897 1.00 13.21 C ATOM 625 OE1 GLN A 37 -28.167 -12.403 -19.188 1.00 71.33 O ATOM 626 NE2 GLN A 37 -26.862 -11.206 -20.569 1.00 0.15 N ATOM 0 H GLN A 37 -23.622 -13.400 -21.814 1.00 73.02 H new ATOM 0 HA GLN A 37 -24.993 -15.663 -20.807 1.00 70.50 H new ATOM 0 HB2 GLN A 37 -25.730 -13.035 -22.082 1.00 52.44 H new ATOM 0 HB3 GLN A 37 -26.973 -14.254 -21.881 1.00 52.44 H new ATOM 0 HG2 GLN A 37 -26.573 -14.320 -19.463 1.00 1.35 H new ATOM 0 HG3 GLN A 37 -25.237 -13.198 -19.623 1.00 1.35 H new ATOM 0 HE21 GLN A 37 -26.021 -11.173 -21.145 1.00 0.15 H new ATOM 0 HE22 GLN A 37 -27.471 -10.390 -20.509 1.00 0.15 H new ATOM 635 N GLN A 38 -24.851 -15.333 -24.073 1.00 4.13 N ATOM 636 CA GLN A 38 -25.092 -16.022 -25.335 1.00 4.20 C ATOM 637 C GLN A 38 -24.188 -17.243 -25.470 1.00 2.20 C ATOM 638 O GLN A 38 -24.663 -18.362 -25.665 1.00 42.21 O ATOM 639 CB GLN A 38 -24.863 -15.071 -26.511 1.00 41.30 C ATOM 640 CG GLN A 38 -25.935 -14.001 -26.646 1.00 22.30 C ATOM 641 CD GLN A 38 -27.156 -14.491 -27.398 1.00 73.04 C ATOM 642 OE1 GLN A 38 -27.337 -14.186 -28.578 1.00 23.42 O ATOM 643 NE2 GLN A 38 -28.004 -15.255 -26.719 1.00 3.11 N ATOM 0 H GLN A 38 -24.327 -14.462 -24.161 1.00 4.13 H new ATOM 0 HA GLN A 38 -26.129 -16.358 -25.345 1.00 4.20 H new ATOM 0 HB2 GLN A 38 -23.893 -14.589 -26.394 1.00 41.30 H new ATOM 0 HB3 GLN A 38 -24.822 -15.650 -27.433 1.00 41.30 H new ATOM 0 HG2 GLN A 38 -26.235 -13.665 -25.653 1.00 22.30 H new ATOM 0 HG3 GLN A 38 -25.517 -13.137 -27.162 1.00 22.30 H new ATOM 0 HE21 GLN A 38 -27.815 -15.483 -25.743 1.00 3.11 H new ATOM 0 HE22 GLN A 38 -28.844 -15.613 -27.174 1.00 3.11 H new ATOM 652 N LYS A 39 -22.882 -17.021 -25.365 1.00 40.43 N ATOM 653 CA LYS A 39 -21.910 -18.102 -25.475 1.00 32.14 C ATOM 654 C LYS A 39 -22.242 -19.232 -24.505 1.00 73.13 C ATOM 655 O LYS A 39 -21.992 -20.404 -24.792 1.00 42.51 O ATOM 656 CB LYS A 39 -20.499 -17.577 -25.199 1.00 33.43 C ATOM 657 CG LYS A 39 -20.206 -17.367 -23.723 1.00 54.33 C ATOM 658 CD LYS A 39 -18.851 -16.714 -23.512 1.00 24.15 C ATOM 659 CE LYS A 39 -17.714 -17.665 -23.855 1.00 35.33 C ATOM 660 NZ LYS A 39 -17.699 -18.856 -22.961 1.00 22.15 N ATOM 0 H LYS A 39 -22.472 -16.101 -25.204 1.00 40.43 H new ATOM 0 HA LYS A 39 -21.953 -18.494 -26.491 1.00 32.14 H new ATOM 0 HB2 LYS A 39 -19.773 -18.279 -25.609 1.00 33.43 H new ATOM 0 HB3 LYS A 39 -20.362 -16.633 -25.726 1.00 33.43 H new ATOM 0 HG2 LYS A 39 -20.984 -16.744 -23.282 1.00 54.33 H new ATOM 0 HG3 LYS A 39 -20.234 -18.326 -23.205 1.00 54.33 H new ATOM 0 HD2 LYS A 39 -18.777 -15.819 -24.130 1.00 24.15 H new ATOM 0 HD3 LYS A 39 -18.758 -16.393 -22.474 1.00 24.15 H new ATOM 0 HE2 LYS A 39 -17.812 -17.990 -24.891 1.00 35.33 H new ATOM 0 HE3 LYS A 39 -16.763 -17.138 -23.775 1.00 35.33 H new ATOM 0 HZ1 LYS A 39 -16.762 -19.306 -22.997 1.00 22.15 H new ATOM 0 HZ2 LYS A 39 -17.903 -18.560 -21.985 1.00 22.15 H new ATOM 0 HZ3 LYS A 39 -18.421 -19.535 -23.275 1.00 22.15 H new ATOM 674 N LEU A 40 -22.808 -18.874 -23.358 1.00 53.11 N ATOM 675 CA LEU A 40 -23.177 -19.858 -22.347 1.00 24.54 C ATOM 676 C LEU A 40 -24.632 -20.285 -22.507 1.00 32.52 C ATOM 677 O LEU A 40 -25.060 -21.294 -21.944 1.00 62.14 O ATOM 678 CB LEU A 40 -22.952 -19.288 -20.945 1.00 51.53 C ATOM 679 CG LEU A 40 -21.495 -19.072 -20.534 1.00 32.53 C ATOM 680 CD1 LEU A 40 -21.413 -18.584 -19.096 1.00 33.33 C ATOM 681 CD2 LEU A 40 -20.696 -20.356 -20.710 1.00 13.44 C ATOM 0 H LEU A 40 -23.021 -17.909 -23.105 1.00 53.11 H new ATOM 0 HA LEU A 40 -22.544 -20.735 -22.482 1.00 24.54 H new ATOM 0 HB2 LEU A 40 -23.474 -18.334 -20.875 1.00 51.53 H new ATOM 0 HB3 LEU A 40 -23.417 -19.959 -20.223 1.00 51.53 H new ATOM 0 HG LEU A 40 -21.064 -18.307 -21.180 1.00 32.53 H new ATOM 0 HD11 LEU A 40 -20.369 -18.436 -18.821 1.00 33.33 H new ATOM 0 HD12 LEU A 40 -21.951 -17.641 -19.001 1.00 33.33 H new ATOM 0 HD13 LEU A 40 -21.861 -19.325 -18.434 1.00 33.33 H new ATOM 0 HD21 LEU A 40 -19.661 -20.184 -20.413 1.00 13.44 H new ATOM 0 HD22 LEU A 40 -21.127 -21.141 -20.088 1.00 13.44 H new ATOM 0 HD23 LEU A 40 -20.727 -20.663 -21.755 1.00 13.44 H new ATOM 693 N HIS A 41 -25.389 -19.512 -23.279 1.00 63.45 N ATOM 694 CA HIS A 41 -26.796 -19.812 -23.516 1.00 74.35 C ATOM 695 C HIS A 41 -27.592 -19.746 -22.217 1.00 14.54 C ATOM 696 O HIS A 41 -28.441 -20.598 -21.951 1.00 45.12 O ATOM 697 CB HIS A 41 -26.945 -21.196 -24.149 1.00 33.42 C ATOM 698 CG HIS A 41 -26.077 -21.402 -25.352 1.00 1.14 C ATOM 699 ND1 HIS A 41 -24.733 -21.523 -25.463 1.00 32.44 N flip ATOM 700 CD2 HIS A 41 -26.577 -21.503 -26.633 1.00 74.23 C flip ATOM 701 CE1 HIS A 41 -24.449 -21.695 -26.796 1.00 32.11 C flip ATOM 702 NE2 HIS A 41 -25.579 -21.680 -27.480 1.00 35.32 N flip ATOM 0 H HIS A 41 -25.051 -18.673 -23.751 1.00 63.45 H new ATOM 0 HA HIS A 41 -27.191 -19.063 -24.202 1.00 74.35 H new ATOM 0 HB2 HIS A 41 -26.705 -21.955 -23.404 1.00 33.42 H new ATOM 0 HB3 HIS A 41 -27.987 -21.346 -24.433 1.00 33.42 H new ATOM 0 HD2 HIS A 41 -27.621 -21.446 -26.902 1.00 74.23 H new ATOM 0 HE1 HIS A 41 -23.462 -21.822 -27.216 1.00 32.11 H new ATOM 0 HE2 HIS A 41 -25.666 -21.787 -28.491 1.00 35.32 H new ATOM 711 N CYS A 42 -27.313 -18.728 -21.409 1.00 0.01 N ATOM 712 CA CYS A 42 -28.001 -18.550 -20.136 1.00 52.12 C ATOM 713 C CYS A 42 -28.490 -17.113 -19.978 1.00 42.13 C ATOM 714 O CYS A 42 -28.101 -16.226 -20.739 1.00 75.24 O ATOM 715 CB CYS A 42 -27.074 -18.915 -18.976 1.00 23.25 C ATOM 716 SG CYS A 42 -25.467 -18.057 -19.009 1.00 14.32 S ATOM 0 H CYS A 42 -26.615 -18.013 -21.614 1.00 0.01 H new ATOM 0 HA CYS A 42 -28.866 -19.213 -20.123 1.00 52.12 H new ATOM 0 HB2 CYS A 42 -27.577 -18.685 -18.037 1.00 23.25 H new ATOM 0 HB3 CYS A 42 -26.900 -19.991 -18.989 1.00 23.25 H new ATOM 721 N CYS A 43 -29.344 -16.890 -18.985 1.00 61.10 N ATOM 722 CA CYS A 43 -29.887 -15.562 -18.726 1.00 24.01 C ATOM 723 C CYS A 43 -29.610 -15.132 -17.288 1.00 65.12 C ATOM 724 O CYS A 43 -29.743 -15.924 -16.356 1.00 1.52 O ATOM 725 CB CYS A 43 -31.393 -15.542 -18.994 1.00 64.45 C ATOM 726 SG CYS A 43 -32.123 -13.874 -19.013 1.00 1.50 S ATOM 0 H CYS A 43 -29.675 -17.613 -18.346 1.00 61.10 H new ATOM 0 HA CYS A 43 -29.396 -14.859 -19.399 1.00 24.01 H new ATOM 0 HB2 CYS A 43 -31.587 -16.023 -19.953 1.00 64.45 H new ATOM 0 HB3 CYS A 43 -31.895 -16.138 -18.232 1.00 64.45 H new ATOM 731 N GLY A 44 -29.223 -13.871 -17.117 1.00 61.42 N ATOM 732 CA GLY A 44 -28.933 -13.358 -15.791 1.00 53.32 C ATOM 733 C GLY A 44 -27.817 -14.120 -15.105 1.00 73.21 C ATOM 734 O GLY A 44 -27.399 -15.178 -15.575 1.00 33.13 O ATOM 0 H GLY A 44 -29.105 -13.196 -17.873 1.00 61.42 H new ATOM 0 HA2 GLY A 44 -28.658 -12.306 -15.864 1.00 53.32 H new ATOM 0 HA3 GLY A 44 -29.834 -13.411 -15.180 1.00 53.32 H new ATOM 738 N ALA A 45 -27.332 -13.581 -13.991 1.00 73.32 N ATOM 739 CA ALA A 45 -26.258 -14.218 -13.239 1.00 72.13 C ATOM 740 C ALA A 45 -26.727 -15.529 -12.616 1.00 44.31 C ATOM 741 O ALA A 45 -26.214 -16.600 -12.941 1.00 4.32 O ATOM 742 CB ALA A 45 -25.737 -13.277 -12.164 1.00 2.32 C ATOM 0 H ALA A 45 -27.666 -12.705 -13.590 1.00 73.32 H new ATOM 0 HA ALA A 45 -25.447 -14.445 -13.932 1.00 72.13 H new ATOM 0 HB1 ALA A 45 -24.935 -13.766 -11.610 1.00 2.32 H new ATOM 0 HB2 ALA A 45 -25.355 -12.369 -12.630 1.00 2.32 H new ATOM 0 HB3 ALA A 45 -26.547 -13.021 -11.481 1.00 2.32 H new ATOM 748 N ASP A 46 -27.702 -15.436 -11.720 1.00 35.54 N ATOM 749 CA ASP A 46 -28.240 -16.615 -11.051 1.00 33.52 C ATOM 750 C ASP A 46 -29.623 -16.965 -11.593 1.00 44.24 C ATOM 751 O ASP A 46 -30.117 -18.074 -11.392 1.00 14.21 O ATOM 752 CB ASP A 46 -28.315 -16.382 -9.541 1.00 55.01 C ATOM 753 CG ASP A 46 -28.153 -17.664 -8.748 1.00 43.12 C ATOM 754 OD1 ASP A 46 -27.963 -18.728 -9.374 1.00 11.24 O ATOM 755 OD2 ASP A 46 -28.216 -17.603 -7.502 1.00 61.32 O ATOM 0 H ASP A 46 -28.136 -14.557 -11.440 1.00 35.54 H new ATOM 0 HA ASP A 46 -27.570 -17.451 -11.249 1.00 33.52 H new ATOM 0 HB2 ASP A 46 -27.539 -15.676 -9.246 1.00 55.01 H new ATOM 0 HB3 ASP A 46 -29.273 -15.924 -9.294 1.00 55.01 H new ATOM 760 N SER A 47 -30.241 -16.011 -12.282 1.00 12.44 N ATOM 761 CA SER A 47 -31.569 -16.216 -12.849 1.00 43.41 C ATOM 762 C SER A 47 -31.983 -15.024 -13.707 1.00 65.03 C ATOM 763 O SER A 47 -31.437 -13.926 -13.595 1.00 20.01 O ATOM 764 CB SER A 47 -32.594 -16.437 -11.735 1.00 61.04 C ATOM 765 OG SER A 47 -32.187 -15.804 -10.535 1.00 13.14 O ATOM 0 H SER A 47 -29.844 -15.089 -12.461 1.00 12.44 H new ATOM 0 HA SER A 47 -31.534 -17.103 -13.482 1.00 43.41 H new ATOM 0 HB2 SER A 47 -33.563 -16.046 -12.045 1.00 61.04 H new ATOM 0 HB3 SER A 47 -32.722 -17.505 -11.561 1.00 61.04 H new ATOM 0 HG SER A 47 -32.859 -15.959 -9.839 1.00 13.14 H new ATOM 771 N PRO A 48 -32.971 -15.244 -14.587 1.00 30.33 N ATOM 772 CA PRO A 48 -33.481 -14.201 -15.482 1.00 34.44 C ATOM 773 C PRO A 48 -34.256 -13.123 -14.732 1.00 50.33 C ATOM 774 O PRO A 48 -34.351 -11.982 -15.187 1.00 71.51 O ATOM 775 CB PRO A 48 -34.410 -14.968 -16.426 1.00 74.03 C ATOM 776 CG PRO A 48 -34.835 -16.166 -15.650 1.00 31.51 C ATOM 777 CD PRO A 48 -33.667 -16.528 -14.775 1.00 30.32 C ATOM 0 HA PRO A 48 -32.676 -13.671 -15.991 1.00 34.44 H new ATOM 0 HB2 PRO A 48 -35.267 -14.361 -16.717 1.00 74.03 H new ATOM 0 HB3 PRO A 48 -33.895 -15.253 -17.343 1.00 74.03 H new ATOM 0 HG2 PRO A 48 -35.719 -15.949 -15.051 1.00 31.51 H new ATOM 0 HG3 PRO A 48 -35.095 -16.990 -16.315 1.00 31.51 H new ATOM 0 HD2 PRO A 48 -33.993 -16.951 -13.825 1.00 30.32 H new ATOM 0 HD3 PRO A 48 -33.023 -17.268 -15.250 1.00 30.32 H new ATOM 785 N LYS A 49 -34.808 -13.489 -13.581 1.00 33.42 N ATOM 786 CA LYS A 49 -35.574 -12.553 -12.766 1.00 44.02 C ATOM 787 C LYS A 49 -34.685 -11.424 -12.255 1.00 25.14 C ATOM 788 O LYS A 49 -35.173 -10.360 -11.875 1.00 13.05 O ATOM 789 CB LYS A 49 -36.220 -13.282 -11.586 1.00 52.11 C ATOM 790 CG LYS A 49 -37.163 -14.397 -12.003 1.00 73.20 C ATOM 791 CD LYS A 49 -38.500 -13.850 -12.476 1.00 3.05 C ATOM 792 CE LYS A 49 -39.519 -14.962 -12.673 1.00 1.42 C ATOM 793 NZ LYS A 49 -39.384 -15.607 -14.008 1.00 52.01 N ATOM 0 H LYS A 49 -34.739 -14.429 -13.190 1.00 33.42 H new ATOM 0 HA LYS A 49 -36.356 -12.122 -13.390 1.00 44.02 H new ATOM 0 HB2 LYS A 49 -35.436 -13.698 -10.953 1.00 52.11 H new ATOM 0 HB3 LYS A 49 -36.769 -12.561 -10.980 1.00 52.11 H new ATOM 0 HG2 LYS A 49 -36.706 -14.982 -12.801 1.00 73.20 H new ATOM 0 HG3 LYS A 49 -37.322 -15.073 -11.163 1.00 73.20 H new ATOM 0 HD2 LYS A 49 -38.879 -13.133 -11.748 1.00 3.05 H new ATOM 0 HD3 LYS A 49 -38.363 -13.311 -13.413 1.00 3.05 H new ATOM 0 HE2 LYS A 49 -39.393 -15.712 -11.893 1.00 1.42 H new ATOM 0 HE3 LYS A 49 -40.525 -14.556 -12.566 1.00 1.42 H new ATOM 0 HZ1 LYS A 49 -40.096 -16.359 -14.104 1.00 52.01 H new ATOM 0 HZ2 LYS A 49 -39.529 -14.896 -14.753 1.00 52.01 H new ATOM 0 HZ3 LYS A 49 -38.433 -16.017 -14.101 1.00 52.01 H new ATOM 807 N ASP A 50 -33.378 -11.663 -12.249 1.00 43.32 N ATOM 808 CA ASP A 50 -32.420 -10.665 -11.787 1.00 12.32 C ATOM 809 C ASP A 50 -32.574 -9.362 -12.566 1.00 63.30 C ATOM 810 O ASP A 50 -32.252 -8.285 -12.064 1.00 32.02 O ATOM 811 CB ASP A 50 -30.992 -11.193 -11.929 1.00 21.14 C ATOM 812 CG ASP A 50 -30.687 -12.309 -10.948 1.00 53.24 C ATOM 813 OD1 ASP A 50 -31.082 -12.187 -9.770 1.00 41.11 O ATOM 814 OD2 ASP A 50 -30.054 -13.304 -11.359 1.00 44.44 O ATOM 0 H ASP A 50 -32.958 -12.539 -12.559 1.00 43.32 H new ATOM 0 HA ASP A 50 -32.621 -10.464 -10.735 1.00 12.32 H new ATOM 0 HB2 ASP A 50 -30.841 -11.556 -12.946 1.00 21.14 H new ATOM 0 HB3 ASP A 50 -30.288 -10.375 -11.775 1.00 21.14 H new ATOM 819 N TYR A 51 -33.066 -9.469 -13.795 1.00 44.03 N ATOM 820 CA TYR A 51 -33.258 -8.300 -14.645 1.00 73.25 C ATOM 821 C TYR A 51 -34.622 -7.664 -14.396 1.00 12.12 C ATOM 822 O TYR A 51 -34.821 -6.476 -14.648 1.00 35.32 O ATOM 823 CB TYR A 51 -33.126 -8.688 -16.119 1.00 71.12 C ATOM 824 CG TYR A 51 -31.708 -9.005 -16.537 1.00 41.42 C ATOM 825 CD1 TYR A 51 -30.684 -8.086 -16.344 1.00 11.50 C ATOM 826 CD2 TYR A 51 -31.392 -10.224 -17.125 1.00 3.54 C ATOM 827 CE1 TYR A 51 -29.387 -8.370 -16.725 1.00 72.31 C ATOM 828 CE2 TYR A 51 -30.097 -10.517 -17.508 1.00 33.55 C ATOM 829 CZ TYR A 51 -29.099 -9.588 -17.306 1.00 42.52 C ATOM 830 OH TYR A 51 -27.808 -9.876 -17.686 1.00 1.50 O ATOM 0 H TYR A 51 -33.339 -10.353 -14.225 1.00 44.03 H new ATOM 0 HA TYR A 51 -32.486 -7.571 -14.397 1.00 73.25 H new ATOM 0 HB2 TYR A 51 -33.756 -9.555 -16.316 1.00 71.12 H new ATOM 0 HB3 TYR A 51 -33.504 -7.873 -16.736 1.00 71.12 H new ATOM 0 HD1 TYR A 51 -30.906 -7.133 -15.888 1.00 11.50 H new ATOM 0 HD2 TYR A 51 -32.171 -10.954 -17.285 1.00 3.54 H new ATOM 0 HE1 TYR A 51 -28.603 -7.643 -16.569 1.00 72.31 H new ATOM 0 HE2 TYR A 51 -29.868 -11.469 -17.963 1.00 33.55 H new ATOM 0 HH TYR A 51 -27.386 -10.443 -17.007 1.00 1.50 H new ATOM 840 N GLY A 52 -35.559 -8.465 -13.897 1.00 54.34 N ATOM 841 CA GLY A 52 -36.893 -7.964 -13.621 1.00 0.52 C ATOM 842 C GLY A 52 -37.940 -8.567 -14.536 1.00 13.34 C ATOM 843 O GLY A 52 -38.400 -9.685 -14.309 1.00 74.35 O ATOM 0 H GLY A 52 -35.418 -9.451 -13.679 1.00 54.34 H new ATOM 0 HA2 GLY A 52 -37.152 -8.181 -12.585 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -36.900 -6.880 -13.731 1.00 0.52 H new ATOM 847 N GLU A 53 -38.319 -7.823 -15.571 1.00 21.14 N ATOM 848 CA GLU A 53 -39.321 -8.291 -16.521 1.00 21.42 C ATOM 849 C GLU A 53 -38.964 -7.866 -17.942 1.00 43.11 C ATOM 850 O GLU A 53 -39.837 -7.727 -18.798 1.00 22.24 O ATOM 851 CB GLU A 53 -40.703 -7.751 -16.147 1.00 4.31 C ATOM 852 CG GLU A 53 -40.794 -6.235 -16.188 1.00 14.41 C ATOM 853 CD GLU A 53 -41.994 -5.702 -15.428 1.00 24.02 C ATOM 854 OE1 GLU A 53 -41.906 -5.584 -14.188 1.00 32.12 O ATOM 855 OE2 GLU A 53 -43.020 -5.403 -16.074 1.00 3.10 O ATOM 0 H GLU A 53 -37.947 -6.895 -15.772 1.00 21.14 H new ATOM 0 HA GLU A 53 -39.342 -9.380 -16.480 1.00 21.42 H new ATOM 0 HB2 GLU A 53 -41.444 -8.170 -16.828 1.00 4.31 H new ATOM 0 HB3 GLU A 53 -40.960 -8.095 -15.145 1.00 4.31 H new ATOM 0 HG2 GLU A 53 -39.883 -5.809 -15.767 1.00 14.41 H new ATOM 0 HG3 GLU A 53 -40.850 -5.906 -17.226 1.00 14.41 H new ATOM 862 N ASN A 54 -37.673 -7.660 -18.185 1.00 54.22 N ATOM 863 CA ASN A 54 -37.200 -7.249 -19.502 1.00 2.11 C ATOM 864 C ASN A 54 -35.691 -7.439 -19.621 1.00 63.30 C ATOM 865 O ASN A 54 -34.916 -6.483 -19.600 1.00 3.13 O ATOM 866 CB ASN A 54 -37.563 -5.786 -19.764 1.00 3.24 C ATOM 867 CG ASN A 54 -37.455 -4.931 -18.515 1.00 72.25 C ATOM 868 OD1 ASN A 54 -38.586 -4.698 -17.859 1.00 13.41 O flip ATOM 869 ND2 ASN A 54 -36.368 -4.487 -18.146 1.00 42.22 N flip ATOM 0 H ASN A 54 -36.937 -7.771 -17.488 1.00 54.22 H new ATOM 0 HA ASN A 54 -37.688 -7.876 -20.248 1.00 2.11 H new ATOM 0 HB2 ASN A 54 -36.905 -5.384 -20.535 1.00 3.24 H new ATOM 0 HB3 ASN A 54 -38.580 -5.731 -20.152 1.00 3.24 H new ATOM 0 HD21 ASN A 54 -35.525 -4.692 -18.682 1.00 42.22 H new ATOM 0 HD22 ASN A 54 -36.310 -3.914 -17.304 1.00 42.22 H new ATOM 876 N PRO A 55 -35.262 -8.704 -19.750 1.00 53.22 N ATOM 877 CA PRO A 55 -33.843 -9.050 -19.877 1.00 14.24 C ATOM 878 C PRO A 55 -33.257 -8.611 -21.214 1.00 4.22 C ATOM 879 O PRO A 55 -33.975 -8.241 -22.143 1.00 1.02 O ATOM 880 CB PRO A 55 -33.839 -10.577 -19.766 1.00 55.53 C ATOM 881 CG PRO A 55 -35.198 -10.992 -20.213 1.00 74.14 C ATOM 882 CD PRO A 55 -36.130 -9.893 -19.783 1.00 51.03 C ATOM 0 HA PRO A 55 -33.233 -8.553 -19.123 1.00 14.24 H new ATOM 0 HB2 PRO A 55 -33.064 -11.018 -20.393 1.00 55.53 H new ATOM 0 HB3 PRO A 55 -33.643 -10.899 -18.743 1.00 55.53 H new ATOM 0 HG2 PRO A 55 -35.228 -11.128 -21.294 1.00 74.14 H new ATOM 0 HG3 PRO A 55 -35.483 -11.943 -19.764 1.00 74.14 H new ATOM 0 HD2 PRO A 55 -36.955 -9.769 -20.484 1.00 51.03 H new ATOM 0 HD3 PRO A 55 -36.569 -10.097 -18.807 1.00 51.03 H new ATOM 890 N PRO A 56 -31.920 -8.652 -21.316 1.00 61.14 N ATOM 891 CA PRO A 56 -31.207 -8.263 -22.537 1.00 13.21 C ATOM 892 C PRO A 56 -31.423 -9.254 -23.675 1.00 72.04 C ATOM 893 O PRO A 56 -31.809 -10.401 -23.449 1.00 74.43 O ATOM 894 CB PRO A 56 -29.739 -8.257 -22.104 1.00 31.31 C ATOM 895 CG PRO A 56 -29.679 -9.204 -20.955 1.00 73.24 C ATOM 896 CD PRO A 56 -31.001 -9.082 -20.249 1.00 72.41 C ATOM 0 HA PRO A 56 -31.555 -7.306 -22.925 1.00 13.21 H new ATOM 0 HB2 PRO A 56 -29.086 -8.577 -22.916 1.00 31.31 H new ATOM 0 HB3 PRO A 56 -29.417 -7.258 -21.811 1.00 31.31 H new ATOM 0 HG2 PRO A 56 -29.513 -10.225 -21.299 1.00 73.24 H new ATOM 0 HG3 PRO A 56 -28.855 -8.955 -20.286 1.00 73.24 H new ATOM 0 HD2 PRO A 56 -31.311 -10.030 -19.810 1.00 72.41 H new ATOM 0 HD3 PRO A 56 -30.958 -8.354 -19.439 1.00 72.41 H new ATOM 904 N THR A 57 -31.171 -8.805 -24.901 1.00 52.20 N ATOM 905 CA THR A 57 -31.339 -9.652 -26.075 1.00 44.10 C ATOM 906 C THR A 57 -30.548 -10.948 -25.935 1.00 53.12 C ATOM 907 O THR A 57 -30.961 -11.995 -26.434 1.00 15.15 O ATOM 908 CB THR A 57 -30.892 -8.927 -27.359 1.00 22.51 C ATOM 909 OG1 THR A 57 -31.139 -9.756 -28.500 1.00 60.12 O ATOM 910 CG2 THR A 57 -29.414 -8.573 -27.294 1.00 1.13 C ATOM 0 H THR A 57 -30.850 -7.859 -25.106 1.00 52.20 H new ATOM 0 HA THR A 57 -32.401 -9.884 -26.149 1.00 44.10 H new ATOM 0 HB THR A 57 -31.467 -8.005 -27.448 1.00 22.51 H new ATOM 0 HG1 THR A 57 -30.854 -9.288 -29.312 1.00 60.12 H new ATOM 0 HG21 THR A 57 -29.122 -8.062 -28.211 1.00 1.13 H new ATOM 0 HG22 THR A 57 -29.234 -7.919 -26.441 1.00 1.13 H new ATOM 0 HG23 THR A 57 -28.826 -9.484 -27.183 1.00 1.13 H new ATOM 918 N SER A 58 -29.410 -10.871 -25.253 1.00 41.35 N ATOM 919 CA SER A 58 -28.560 -12.038 -25.051 1.00 23.03 C ATOM 920 C SER A 58 -29.300 -13.120 -24.270 1.00 62.02 C ATOM 921 O SER A 58 -28.939 -14.296 -24.322 1.00 21.21 O ATOM 922 CB SER A 58 -27.282 -11.642 -24.309 1.00 2.23 C ATOM 923 OG SER A 58 -27.508 -10.529 -23.462 1.00 12.34 O ATOM 0 H SER A 58 -29.055 -10.013 -24.831 1.00 41.35 H new ATOM 0 HA SER A 58 -28.295 -12.437 -26.030 1.00 23.03 H new ATOM 0 HB2 SER A 58 -26.924 -12.486 -23.719 1.00 2.23 H new ATOM 0 HB3 SER A 58 -26.499 -11.402 -25.029 1.00 2.23 H new ATOM 0 HG SER A 58 -27.177 -9.715 -23.896 1.00 12.34 H new ATOM 929 N CYS A 59 -30.338 -12.714 -23.547 1.00 3.42 N ATOM 930 CA CYS A 59 -31.130 -13.646 -22.754 1.00 50.01 C ATOM 931 C CYS A 59 -31.853 -14.645 -23.652 1.00 75.32 C ATOM 932 O CYS A 59 -32.222 -15.735 -23.215 1.00 24.41 O ATOM 933 CB CYS A 59 -32.145 -12.886 -21.898 1.00 4.33 C ATOM 934 SG CYS A 59 -33.237 -13.959 -20.911 1.00 2.23 S ATOM 0 H CYS A 59 -30.651 -11.745 -23.494 1.00 3.42 H new ATOM 0 HA CYS A 59 -30.452 -14.195 -22.100 1.00 50.01 H new ATOM 0 HB2 CYS A 59 -31.608 -12.216 -21.226 1.00 4.33 H new ATOM 0 HB3 CYS A 59 -32.758 -12.262 -22.548 1.00 4.33 H new ATOM 939 N SER A 60 -32.053 -14.265 -24.910 1.00 73.32 N ATOM 940 CA SER A 60 -32.736 -15.126 -25.869 1.00 45.25 C ATOM 941 C SER A 60 -31.861 -15.374 -27.095 1.00 22.24 C ATOM 942 O SER A 60 -30.943 -14.606 -27.383 1.00 52.24 O ATOM 943 CB SER A 60 -34.064 -14.497 -26.296 1.00 24.40 C ATOM 944 OG SER A 60 -33.940 -13.093 -26.443 1.00 65.51 O ATOM 0 H SER A 60 -31.752 -13.367 -25.289 1.00 73.32 H new ATOM 0 HA SER A 60 -32.934 -16.082 -25.385 1.00 45.25 H new ATOM 0 HB2 SER A 60 -34.392 -14.937 -27.238 1.00 24.40 H new ATOM 0 HB3 SER A 60 -34.831 -14.722 -25.555 1.00 24.40 H new ATOM 0 HG SER A 60 -34.802 -12.716 -26.718 1.00 65.51 H new ATOM 950 N LYS A 61 -32.152 -16.454 -27.812 1.00 43.13 N ATOM 951 CA LYS A 61 -31.394 -16.806 -29.008 1.00 14.45 C ATOM 952 C LYS A 61 -32.198 -17.740 -29.906 1.00 35.02 C ATOM 953 O LYS A 61 -32.806 -18.701 -29.433 1.00 11.43 O ATOM 954 CB LYS A 61 -30.070 -17.467 -28.621 1.00 21.43 C ATOM 955 CG LYS A 61 -28.909 -17.076 -29.518 1.00 50.44 C ATOM 956 CD LYS A 61 -27.958 -18.240 -29.740 1.00 50.33 C ATOM 957 CE LYS A 61 -28.419 -19.125 -30.888 1.00 43.44 C ATOM 958 NZ LYS A 61 -27.811 -20.482 -30.820 1.00 71.54 N ATOM 0 H LYS A 61 -32.907 -17.101 -27.586 1.00 43.13 H new ATOM 0 HA LYS A 61 -31.187 -15.889 -29.560 1.00 14.45 H new ATOM 0 HB2 LYS A 61 -29.828 -17.201 -27.592 1.00 21.43 H new ATOM 0 HB3 LYS A 61 -30.192 -18.550 -28.650 1.00 21.43 H new ATOM 0 HG2 LYS A 61 -29.291 -16.729 -30.478 1.00 50.44 H new ATOM 0 HG3 LYS A 61 -28.367 -16.243 -29.071 1.00 50.44 H new ATOM 0 HD2 LYS A 61 -26.959 -17.860 -29.951 1.00 50.33 H new ATOM 0 HD3 LYS A 61 -27.887 -18.833 -28.828 1.00 50.33 H new ATOM 0 HE2 LYS A 61 -29.505 -19.212 -30.866 1.00 43.44 H new ATOM 0 HE3 LYS A 61 -28.156 -18.656 -31.836 1.00 43.44 H new ATOM 0 HZ1 LYS A 61 -28.150 -21.055 -31.619 1.00 71.54 H new ATOM 0 HZ2 LYS A 61 -26.775 -20.401 -30.867 1.00 71.54 H new ATOM 0 HZ3 LYS A 61 -28.083 -20.940 -29.926 1.00 71.54 H new ATOM 972 N ASP A 62 -32.196 -17.453 -31.203 1.00 34.12 N ATOM 973 CA ASP A 62 -32.924 -18.270 -32.168 1.00 2.43 C ATOM 974 C ASP A 62 -34.410 -18.320 -31.826 1.00 42.35 C ATOM 975 O ASP A 62 -35.101 -19.282 -32.158 1.00 11.30 O ATOM 976 CB ASP A 62 -32.348 -19.686 -32.206 1.00 34.24 C ATOM 977 CG ASP A 62 -30.960 -19.731 -32.813 1.00 21.25 C ATOM 978 OD1 ASP A 62 -30.481 -18.675 -33.276 1.00 30.31 O ATOM 979 OD2 ASP A 62 -30.352 -20.823 -32.825 1.00 15.51 O ATOM 0 H ASP A 62 -31.699 -16.661 -31.611 1.00 34.12 H new ATOM 0 HA ASP A 62 -32.812 -17.814 -33.152 1.00 2.43 H new ATOM 0 HB2 ASP A 62 -32.311 -20.087 -31.193 1.00 34.24 H new ATOM 0 HB3 ASP A 62 -33.014 -20.330 -32.780 1.00 34.24 H new ATOM 984 N GLY A 63 -34.894 -17.276 -31.160 1.00 55.13 N ATOM 985 CA GLY A 63 -36.295 -17.222 -30.784 1.00 10.50 C ATOM 986 C GLY A 63 -36.599 -18.061 -29.559 1.00 12.42 C ATOM 987 O GLY A 63 -37.729 -18.511 -29.370 1.00 55.44 O ATOM 0 H GLY A 63 -34.342 -16.467 -30.874 1.00 55.13 H new ATOM 0 HA2 GLY A 63 -36.576 -16.187 -30.591 1.00 10.50 H new ATOM 0 HA3 GLY A 63 -36.905 -17.568 -31.618 1.00 10.50 H new ATOM 991 N VAL A 64 -35.588 -18.274 -28.723 1.00 45.42 N ATOM 992 CA VAL A 64 -35.752 -19.065 -27.510 1.00 21.02 C ATOM 993 C VAL A 64 -35.340 -18.270 -26.276 1.00 33.55 C ATOM 994 O VAL A 64 -34.536 -17.343 -26.363 1.00 22.33 O ATOM 995 CB VAL A 64 -34.925 -20.363 -27.570 1.00 74.42 C ATOM 996 CG1 VAL A 64 -33.519 -20.126 -27.043 1.00 24.04 C ATOM 997 CG2 VAL A 64 -35.617 -21.471 -26.790 1.00 25.22 C ATOM 0 H VAL A 64 -34.646 -17.909 -28.864 1.00 45.42 H new ATOM 0 HA VAL A 64 -36.809 -19.320 -27.439 1.00 21.02 H new ATOM 0 HB VAL A 64 -34.848 -20.676 -28.611 1.00 74.42 H new ATOM 0 HG11 VAL A 64 -32.950 -21.054 -27.093 1.00 24.04 H new ATOM 0 HG12 VAL A 64 -33.027 -19.365 -27.649 1.00 24.04 H new ATOM 0 HG13 VAL A 64 -33.571 -19.788 -26.008 1.00 24.04 H new ATOM 0 HG21 VAL A 64 -35.019 -22.381 -26.843 1.00 25.22 H new ATOM 0 HG22 VAL A 64 -35.727 -21.169 -25.748 1.00 25.22 H new ATOM 0 HG23 VAL A 64 -36.601 -21.658 -27.219 1.00 25.22 H new ATOM 1007 N GLN A 65 -35.897 -18.641 -25.127 1.00 54.01 N ATOM 1008 CA GLN A 65 -35.588 -17.962 -23.874 1.00 62.04 C ATOM 1009 C GLN A 65 -34.724 -18.842 -22.977 1.00 65.04 C ATOM 1010 O GLN A 65 -34.968 -20.041 -22.845 1.00 74.30 O ATOM 1011 CB GLN A 65 -36.877 -17.580 -23.145 1.00 22.02 C ATOM 1012 CG GLN A 65 -36.683 -16.502 -22.091 1.00 41.52 C ATOM 1013 CD GLN A 65 -36.773 -17.043 -20.678 1.00 70.21 C ATOM 1014 OE1 GLN A 65 -37.801 -17.588 -20.274 1.00 63.23 O ATOM 1015 NE2 GLN A 65 -35.695 -16.896 -19.917 1.00 64.15 N ATOM 0 H GLN A 65 -36.564 -19.408 -25.038 1.00 54.01 H new ATOM 0 HA GLN A 65 -35.030 -17.056 -24.109 1.00 62.04 H new ATOM 0 HB2 GLN A 65 -37.609 -17.235 -23.875 1.00 22.02 H new ATOM 0 HB3 GLN A 65 -37.294 -18.469 -22.671 1.00 22.02 H new ATOM 0 HG2 GLN A 65 -35.711 -16.031 -22.234 1.00 41.52 H new ATOM 0 HG3 GLN A 65 -37.437 -15.726 -22.227 1.00 41.52 H new ATOM 0 HE21 GLN A 65 -34.864 -16.438 -20.292 1.00 64.15 H new ATOM 0 HE22 GLN A 65 -35.697 -17.241 -18.957 1.00 64.15 H new ATOM 1024 N PHE A 66 -33.711 -18.239 -22.363 1.00 52.32 N ATOM 1025 CA PHE A 66 -32.809 -18.968 -21.479 1.00 52.14 C ATOM 1026 C PHE A 66 -33.278 -18.879 -20.030 1.00 74.41 C ATOM 1027 O PHE A 66 -33.079 -17.865 -19.361 1.00 54.32 O ATOM 1028 CB PHE A 66 -31.387 -18.418 -21.601 1.00 44.12 C ATOM 1029 CG PHE A 66 -30.778 -18.626 -22.958 1.00 43.45 C ATOM 1030 CD1 PHE A 66 -30.931 -19.831 -23.624 1.00 32.21 C ATOM 1031 CD2 PHE A 66 -30.052 -17.615 -23.569 1.00 75.20 C ATOM 1032 CE1 PHE A 66 -30.371 -20.025 -24.873 1.00 32.15 C ATOM 1033 CE2 PHE A 66 -29.491 -17.803 -24.818 1.00 25.22 C ATOM 1034 CZ PHE A 66 -29.651 -19.010 -25.471 1.00 11.52 C ATOM 0 H PHE A 66 -33.494 -17.247 -22.462 1.00 52.32 H new ATOM 0 HA PHE A 66 -32.813 -20.016 -21.780 1.00 52.14 H new ATOM 0 HB2 PHE A 66 -31.398 -17.351 -21.376 1.00 44.12 H new ATOM 0 HB3 PHE A 66 -30.756 -18.895 -20.851 1.00 44.12 H new ATOM 0 HD1 PHE A 66 -31.494 -20.628 -23.162 1.00 32.21 H new ATOM 0 HD2 PHE A 66 -29.923 -16.670 -23.063 1.00 75.20 H new ATOM 0 HE1 PHE A 66 -30.497 -20.970 -25.381 1.00 32.15 H new ATOM 0 HE2 PHE A 66 -28.928 -17.007 -25.283 1.00 25.22 H new ATOM 0 HZ PHE A 66 -29.214 -19.159 -26.447 1.00 11.52 H new ATOM 1044 N THR A 67 -33.904 -19.950 -19.550 1.00 42.03 N ATOM 1045 CA THR A 67 -34.403 -19.994 -18.182 1.00 34.00 C ATOM 1046 C THR A 67 -33.432 -20.729 -17.265 1.00 51.14 C ATOM 1047 O THR A 67 -33.845 -21.417 -16.333 1.00 73.30 O ATOM 1048 CB THR A 67 -35.780 -20.681 -18.108 1.00 52.24 C ATOM 1049 OG1 THR A 67 -35.657 -22.063 -18.460 1.00 75.41 O ATOM 1050 CG2 THR A 67 -36.774 -20.002 -19.039 1.00 0.10 C ATOM 0 H THR A 67 -34.077 -20.798 -20.089 1.00 42.03 H new ATOM 0 HA THR A 67 -34.502 -18.961 -17.849 1.00 34.00 H new ATOM 0 HB THR A 67 -36.149 -20.598 -17.086 1.00 52.24 H new ATOM 0 HG1 THR A 67 -36.536 -22.493 -18.409 1.00 75.41 H new ATOM 0 HG21 THR A 67 -37.739 -20.504 -18.970 1.00 0.10 H new ATOM 0 HG22 THR A 67 -36.887 -18.957 -18.751 1.00 0.10 H new ATOM 0 HG23 THR A 67 -36.409 -20.058 -20.064 1.00 0.10 H new ATOM 1058 N GLU A 68 -32.140 -20.577 -17.537 1.00 25.03 N ATOM 1059 CA GLU A 68 -31.110 -21.227 -16.735 1.00 21.52 C ATOM 1060 C GLU A 68 -30.060 -20.220 -16.276 1.00 0.40 C ATOM 1061 O GLU A 68 -29.595 -19.392 -17.058 1.00 40.41 O ATOM 1062 CB GLU A 68 -30.442 -22.348 -17.534 1.00 62.22 C ATOM 1063 CG GLU A 68 -31.427 -23.333 -18.141 1.00 64.15 C ATOM 1064 CD GLU A 68 -30.777 -24.262 -19.148 1.00 64.32 C ATOM 1065 OE1 GLU A 68 -30.164 -25.264 -18.723 1.00 1.31 O ATOM 1066 OE2 GLU A 68 -30.881 -23.987 -20.362 1.00 72.40 O ATOM 0 H GLU A 68 -31.782 -20.010 -18.306 1.00 25.03 H new ATOM 0 HA GLU A 68 -31.588 -21.654 -15.853 1.00 21.52 H new ATOM 0 HB2 GLU A 68 -29.844 -21.907 -18.331 1.00 62.22 H new ATOM 0 HB3 GLU A 68 -29.756 -22.888 -16.882 1.00 62.22 H new ATOM 0 HG2 GLU A 68 -31.880 -23.925 -17.346 1.00 64.15 H new ATOM 0 HG3 GLU A 68 -32.233 -22.783 -18.627 1.00 64.15 H new ATOM 1073 N GLY A 69 -29.692 -20.296 -15.001 1.00 24.53 N ATOM 1074 CA GLY A 69 -28.700 -19.386 -14.459 1.00 13.33 C ATOM 1075 C GLY A 69 -27.413 -19.387 -15.259 1.00 0.31 C ATOM 1076 O GLY A 69 -27.261 -20.162 -16.204 1.00 1.14 O ATOM 0 H GLY A 69 -30.063 -20.972 -14.333 1.00 24.53 H new ATOM 0 HA2 GLY A 69 -29.110 -18.376 -14.439 1.00 13.33 H new ATOM 0 HA3 GLY A 69 -28.483 -19.663 -13.427 1.00 13.33 H new ATOM 1080 N CYS A 70 -26.483 -18.515 -14.882 1.00 74.14 N ATOM 1081 CA CYS A 70 -25.203 -18.416 -15.572 1.00 60.04 C ATOM 1082 C CYS A 70 -24.059 -18.856 -14.663 1.00 34.12 C ATOM 1083 O CYS A 70 -23.087 -19.458 -15.119 1.00 22.22 O ATOM 1084 CB CYS A 70 -24.967 -16.982 -16.049 1.00 44.35 C ATOM 1085 SG CYS A 70 -25.675 -16.617 -17.687 1.00 54.44 S ATOM 0 H CYS A 70 -26.593 -17.867 -14.102 1.00 74.14 H new ATOM 0 HA CYS A 70 -25.232 -19.079 -16.436 1.00 60.04 H new ATOM 0 HB2 CYS A 70 -25.393 -16.293 -15.319 1.00 44.35 H new ATOM 0 HB3 CYS A 70 -23.894 -16.792 -16.078 1.00 44.35 H new ATOM 1090 N ILE A 71 -24.184 -18.552 -13.376 1.00 12.35 N ATOM 1091 CA ILE A 71 -23.162 -18.917 -12.402 1.00 55.12 C ATOM 1092 C ILE A 71 -22.833 -20.404 -12.483 1.00 3.51 C ATOM 1093 O ILE A 71 -21.671 -20.787 -12.621 1.00 42.34 O ATOM 1094 CB ILE A 71 -23.606 -18.578 -10.967 1.00 23.13 C ATOM 1095 CG1 ILE A 71 -23.909 -17.084 -10.843 1.00 15.43 C ATOM 1096 CG2 ILE A 71 -22.533 -18.991 -9.970 1.00 0.41 C ATOM 1097 CD1 ILE A 71 -25.004 -16.770 -9.847 1.00 31.10 C ATOM 0 H ILE A 71 -24.983 -18.054 -12.983 1.00 12.35 H new ATOM 0 HA ILE A 71 -22.272 -18.336 -12.645 1.00 55.12 H new ATOM 0 HB ILE A 71 -24.517 -19.134 -10.743 1.00 23.13 H new ATOM 0 HG12 ILE A 71 -23.000 -16.560 -10.548 1.00 15.43 H new ATOM 0 HG13 ILE A 71 -24.197 -16.697 -11.821 1.00 15.43 H new ATOM 0 HG21 ILE A 71 -22.861 -18.745 -8.960 1.00 0.41 H new ATOM 0 HG22 ILE A 71 -22.361 -20.065 -10.044 1.00 0.41 H new ATOM 0 HG23 ILE A 71 -21.607 -18.459 -10.191 1.00 0.41 H new ATOM 0 HD11 ILE A 71 -25.165 -15.693 -9.811 1.00 31.10 H new ATOM 0 HD12 ILE A 71 -25.926 -17.265 -10.152 1.00 31.10 H new ATOM 0 HD13 ILE A 71 -24.711 -17.126 -8.859 1.00 31.10 H new ATOM 1109 N LYS A 72 -23.863 -21.238 -12.397 1.00 51.12 N ATOM 1110 CA LYS A 72 -23.685 -22.684 -12.464 1.00 12.44 C ATOM 1111 C LYS A 72 -23.210 -23.110 -13.849 1.00 33.31 C ATOM 1112 O LYS A 72 -22.459 -24.076 -13.989 1.00 54.12 O ATOM 1113 CB LYS A 72 -24.995 -23.396 -12.120 1.00 55.32 C ATOM 1114 CG LYS A 72 -25.594 -22.962 -10.793 1.00 41.03 C ATOM 1115 CD LYS A 72 -24.825 -23.542 -9.618 1.00 65.24 C ATOM 1116 CE LYS A 72 -25.351 -24.916 -9.232 1.00 5.15 C ATOM 1117 NZ LYS A 72 -24.568 -25.515 -8.115 1.00 14.02 N ATOM 0 H LYS A 72 -24.831 -20.938 -12.281 1.00 51.12 H new ATOM 0 HA LYS A 72 -22.924 -22.966 -11.736 1.00 12.44 H new ATOM 0 HB2 LYS A 72 -25.719 -23.210 -12.914 1.00 55.32 H new ATOM 0 HB3 LYS A 72 -24.818 -24.471 -12.095 1.00 55.32 H new ATOM 0 HG2 LYS A 72 -25.591 -21.874 -10.730 1.00 41.03 H new ATOM 0 HG3 LYS A 72 -26.635 -23.281 -10.741 1.00 41.03 H new ATOM 0 HD2 LYS A 72 -23.768 -23.614 -9.874 1.00 65.24 H new ATOM 0 HD3 LYS A 72 -24.901 -22.869 -8.764 1.00 65.24 H new ATOM 0 HE2 LYS A 72 -26.398 -24.835 -8.939 1.00 5.15 H new ATOM 0 HE3 LYS A 72 -25.312 -25.577 -10.098 1.00 5.15 H new ATOM 0 HZ1 LYS A 72 -24.957 -26.451 -7.881 1.00 14.02 H new ATOM 0 HZ2 LYS A 72 -23.574 -25.616 -8.403 1.00 14.02 H new ATOM 0 HZ3 LYS A 72 -24.626 -24.897 -7.280 1.00 14.02 H new ATOM 1131 N LYS A 73 -23.651 -22.384 -14.870 1.00 75.03 N ATOM 1132 CA LYS A 73 -23.270 -22.685 -16.245 1.00 42.20 C ATOM 1133 C LYS A 73 -21.769 -22.499 -16.446 1.00 53.32 C ATOM 1134 O LYS A 73 -21.069 -23.422 -16.862 1.00 73.21 O ATOM 1135 CB LYS A 73 -24.041 -21.789 -17.218 1.00 25.34 C ATOM 1136 CG LYS A 73 -25.507 -22.159 -17.353 1.00 35.21 C ATOM 1137 CD LYS A 73 -25.695 -23.382 -18.235 1.00 52.12 C ATOM 1138 CE LYS A 73 -26.989 -24.112 -17.908 1.00 23.10 C ATOM 1139 NZ LYS A 73 -27.074 -25.427 -18.602 1.00 12.11 N ATOM 0 H LYS A 73 -24.273 -21.582 -14.771 1.00 75.03 H new ATOM 0 HA LYS A 73 -23.520 -23.727 -16.445 1.00 42.20 H new ATOM 0 HB2 LYS A 73 -23.965 -20.754 -16.884 1.00 25.34 H new ATOM 0 HB3 LYS A 73 -23.570 -21.842 -18.199 1.00 25.34 H new ATOM 0 HG2 LYS A 73 -25.926 -22.353 -16.366 1.00 35.21 H new ATOM 0 HG3 LYS A 73 -26.058 -21.318 -17.774 1.00 35.21 H new ATOM 0 HD2 LYS A 73 -25.702 -23.079 -19.282 1.00 52.12 H new ATOM 0 HD3 LYS A 73 -24.851 -24.059 -18.104 1.00 52.12 H new ATOM 0 HE2 LYS A 73 -27.058 -24.265 -16.831 1.00 23.10 H new ATOM 0 HE3 LYS A 73 -27.838 -23.493 -18.197 1.00 23.10 H new ATOM 0 HZ1 LYS A 73 -28.071 -25.656 -18.791 1.00 12.11 H new ATOM 0 HZ2 LYS A 73 -26.553 -25.379 -19.501 1.00 12.11 H new ATOM 0 HZ3 LYS A 73 -26.657 -26.165 -17.999 1.00 12.11 H new