USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=8 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= -0.241 K(o=0.16,f=-6.9!) USER MOD Set 1.2: A 51 TYR OH : rot 122:sc= 0.398 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc=-0.00879 (180deg=-0.734) 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= -0.586 USER MOD Single : A 25 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.033) USER MOD Single : A 28 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.95 K(o=-3,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-0.022) USER MOD Single : A 47 SER OG : rot -170:sc=0.000989 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.15 K(o=-2.2,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -83:sc= 0.283 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= -1.66 K(o=-1.7,f=-3.3!) USER MOD Single : A 67 THR OG1 : rot -81:sc= 0.0339 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.267 -13.229 -10.078 1.00 22.23 N ATOM 239 CA LEU A 16 -21.374 -13.111 -11.021 1.00 4.13 C ATOM 240 C LEU A 16 -22.525 -12.316 -10.412 1.00 62.52 C ATOM 241 O LEU A 16 -23.120 -11.463 -11.070 1.00 14.23 O ATOM 242 CB LEU A 16 -21.862 -14.498 -11.441 1.00 31.34 C ATOM 243 CG LEU A 16 -21.500 -14.936 -12.860 1.00 70.12 C ATOM 244 CD1 LEU A 16 -20.000 -14.831 -13.085 1.00 24.32 C ATOM 245 CD2 LEU A 16 -21.982 -16.356 -13.120 1.00 11.03 C ATOM 0 HA LEU A 16 -21.015 -12.578 -11.901 1.00 4.13 H new ATOM 0 HB2 LEU A 16 -21.458 -15.230 -10.742 1.00 31.34 H new ATOM 0 HB3 LEU A 16 -22.947 -14.525 -11.340 1.00 31.34 H new ATOM 0 HG LEU A 16 -22.000 -14.270 -13.563 1.00 70.12 H new ATOM 0 HD11 LEU A 16 -19.761 -15.147 -14.101 1.00 24.32 H new ATOM 0 HD12 LEU A 16 -19.682 -13.798 -12.942 1.00 24.32 H new ATOM 0 HD13 LEU A 16 -19.480 -15.472 -12.374 1.00 24.32 H new ATOM 0 HD21 LEU A 16 -21.715 -16.651 -14.135 1.00 11.03 H new ATOM 0 HD22 LEU A 16 -21.512 -17.036 -12.409 1.00 11.03 H new ATOM 0 HD23 LEU A 16 -23.065 -16.400 -13.002 1.00 11.03 H new ATOM 257 N LYS A 17 -22.832 -12.602 -9.151 1.00 51.54 N ATOM 258 CA LYS A 17 -23.909 -11.912 -8.451 1.00 74.13 C ATOM 259 C LYS A 17 -23.709 -10.401 -8.498 1.00 3.34 C ATOM 260 O LYS A 17 -24.673 -9.637 -8.555 1.00 21.31 O ATOM 261 CB LYS A 17 -23.984 -12.383 -6.997 1.00 62.11 C ATOM 262 CG LYS A 17 -24.559 -13.780 -6.839 1.00 13.22 C ATOM 263 CD LYS A 17 -26.076 -13.772 -6.932 1.00 41.13 C ATOM 264 CE LYS A 17 -26.684 -14.977 -6.232 1.00 22.50 C ATOM 265 NZ LYS A 17 -28.168 -14.999 -6.353 1.00 62.43 N ATOM 0 H LYS A 17 -22.350 -13.307 -8.593 1.00 51.54 H new ATOM 0 HA LYS A 17 -24.846 -12.152 -8.953 1.00 74.13 H new ATOM 0 HB2 LYS A 17 -22.984 -12.360 -6.564 1.00 62.11 H new ATOM 0 HB3 LYS A 17 -24.594 -11.682 -6.428 1.00 62.11 H new ATOM 0 HG2 LYS A 17 -24.150 -14.432 -7.610 1.00 13.22 H new ATOM 0 HG3 LYS A 17 -24.255 -14.193 -5.877 1.00 13.22 H new ATOM 0 HD2 LYS A 17 -26.464 -12.857 -6.485 1.00 41.13 H new ATOM 0 HD3 LYS A 17 -26.377 -13.768 -7.980 1.00 41.13 H new ATOM 0 HE2 LYS A 17 -26.271 -15.891 -6.659 1.00 22.50 H new ATOM 0 HE3 LYS A 17 -26.406 -14.963 -5.178 1.00 22.50 H new ATOM 0 HZ1 LYS A 17 -28.519 -15.955 -6.144 1.00 62.43 H new ATOM 0 HZ2 LYS A 17 -28.581 -14.323 -5.679 1.00 62.43 H new ATOM 0 HZ3 LYS A 17 -28.441 -14.734 -7.321 1.00 62.43 H new ATOM 279 N LYS A 18 -22.450 -9.975 -8.474 1.00 14.43 N ATOM 280 CA LYS A 18 -22.122 -8.555 -8.516 1.00 10.42 C ATOM 281 C LYS A 18 -22.243 -8.010 -9.935 1.00 52.04 C ATOM 282 O LYS A 18 -22.677 -6.875 -10.141 1.00 64.52 O ATOM 283 CB LYS A 18 -20.704 -8.322 -7.988 1.00 74.02 C ATOM 284 CG LYS A 18 -19.774 -7.683 -9.005 1.00 14.22 C ATOM 285 CD LYS A 18 -18.387 -7.459 -8.428 1.00 23.03 C ATOM 286 CE LYS A 18 -17.303 -7.934 -9.383 1.00 45.41 C ATOM 287 NZ LYS A 18 -16.793 -9.284 -9.017 1.00 72.32 N ATOM 0 H LYS A 18 -21.640 -10.593 -8.426 1.00 14.43 H new ATOM 0 HA LYS A 18 -22.832 -8.025 -7.881 1.00 10.42 H new ATOM 0 HB2 LYS A 18 -20.754 -7.686 -7.104 1.00 74.02 H new ATOM 0 HB3 LYS A 18 -20.282 -9.276 -7.671 1.00 74.02 H new ATOM 0 HG2 LYS A 18 -19.704 -8.321 -9.886 1.00 14.22 H new ATOM 0 HG3 LYS A 18 -20.191 -6.731 -9.333 1.00 14.22 H new ATOM 0 HD2 LYS A 18 -18.247 -6.399 -8.215 1.00 23.03 H new ATOM 0 HD3 LYS A 18 -18.296 -7.989 -7.480 1.00 23.03 H new ATOM 0 HE2 LYS A 18 -17.699 -7.959 -10.398 1.00 45.41 H new ATOM 0 HE3 LYS A 18 -16.478 -7.221 -9.380 1.00 45.41 H new ATOM 0 HZ1 LYS A 18 -16.056 -9.571 -9.692 1.00 72.32 H new ATOM 0 HZ2 LYS A 18 -16.392 -9.255 -8.058 1.00 72.32 H new ATOM 0 HZ3 LYS A 18 -17.574 -9.970 -9.045 1.00 72.32 H new ATOM 301 N LEU A 19 -21.859 -8.825 -10.912 1.00 34.14 N ATOM 302 CA LEU A 19 -21.927 -8.425 -12.313 1.00 23.40 C ATOM 303 C LEU A 19 -23.362 -8.106 -12.720 1.00 24.01 C ATOM 304 O LEU A 19 -23.644 -7.029 -13.246 1.00 20.34 O ATOM 305 CB LEU A 19 -21.365 -9.533 -13.207 1.00 14.50 C ATOM 306 CG LEU A 19 -19.855 -9.503 -13.444 1.00 51.31 C ATOM 307 CD1 LEU A 19 -19.357 -10.869 -13.888 1.00 74.43 C ATOM 308 CD2 LEU A 19 -19.498 -8.442 -14.475 1.00 61.02 C ATOM 0 H LEU A 19 -21.497 -9.766 -10.759 1.00 34.14 H new ATOM 0 HA LEU A 19 -21.326 -7.525 -12.438 1.00 23.40 H new ATOM 0 HB2 LEU A 19 -21.624 -10.495 -12.765 1.00 14.50 H new ATOM 0 HB3 LEU A 19 -21.865 -9.481 -14.174 1.00 14.50 H new ATOM 0 HG LEU A 19 -19.364 -9.248 -12.505 1.00 51.31 H new ATOM 0 HD11 LEU A 19 -18.280 -10.828 -14.052 1.00 74.43 H new ATOM 0 HD12 LEU A 19 -19.579 -11.606 -13.116 1.00 74.43 H new ATOM 0 HD13 LEU A 19 -19.854 -11.154 -14.815 1.00 74.43 H new ATOM 0 HD21 LEU A 19 -18.419 -8.435 -14.631 1.00 61.02 H new ATOM 0 HD22 LEU A 19 -19.999 -8.666 -15.416 1.00 61.02 H new ATOM 0 HD23 LEU A 19 -19.819 -7.464 -14.117 1.00 61.02 H new ATOM 320 N VAL A 20 -24.266 -9.048 -12.471 1.00 65.52 N ATOM 321 CA VAL A 20 -25.672 -8.866 -12.808 1.00 73.55 C ATOM 322 C VAL A 20 -26.251 -7.642 -12.108 1.00 73.24 C ATOM 323 O VAL A 20 -27.192 -7.019 -12.601 1.00 61.44 O ATOM 324 CB VAL A 20 -26.506 -10.104 -12.427 1.00 64.40 C ATOM 325 CG1 VAL A 20 -26.564 -10.264 -10.915 1.00 54.44 C ATOM 326 CG2 VAL A 20 -27.905 -10.006 -13.016 1.00 23.41 C ATOM 0 H VAL A 20 -24.049 -9.945 -12.037 1.00 65.52 H new ATOM 0 HA VAL A 20 -25.722 -8.722 -13.887 1.00 73.55 H new ATOM 0 HB VAL A 20 -26.023 -10.988 -12.843 1.00 64.40 H new ATOM 0 HG11 VAL A 20 -27.157 -11.144 -10.665 1.00 54.44 H new ATOM 0 HG12 VAL A 20 -25.554 -10.384 -10.523 1.00 54.44 H new ATOM 0 HG13 VAL A 20 -27.022 -9.379 -10.473 1.00 54.44 H new ATOM 0 HG21 VAL A 20 -28.480 -10.889 -12.737 1.00 23.41 H new ATOM 0 HG22 VAL A 20 -28.400 -9.114 -12.632 1.00 23.41 H new ATOM 0 HG23 VAL A 20 -27.839 -9.945 -14.102 1.00 23.41 H new ATOM 336 N ASP A 21 -25.683 -7.302 -10.957 1.00 31.43 N ATOM 337 CA ASP A 21 -26.142 -6.151 -10.188 1.00 44.24 C ATOM 338 C ASP A 21 -25.614 -4.852 -10.789 1.00 51.34 C ATOM 339 O ASP A 21 -26.345 -3.869 -10.910 1.00 14.53 O ATOM 340 CB ASP A 21 -25.693 -6.272 -8.731 1.00 54.00 C ATOM 341 CG ASP A 21 -26.567 -5.468 -7.788 1.00 44.21 C ATOM 342 OD1 ASP A 21 -27.695 -5.109 -8.185 1.00 63.23 O ATOM 343 OD2 ASP A 21 -26.122 -5.196 -6.653 1.00 64.20 O ATOM 0 H ASP A 21 -24.904 -7.807 -10.535 1.00 31.43 H new ATOM 0 HA ASP A 21 -27.231 -6.132 -10.224 1.00 44.24 H new ATOM 0 HB2 ASP A 21 -25.711 -7.321 -8.434 1.00 54.00 H new ATOM 0 HB3 ASP A 21 -24.661 -5.934 -8.643 1.00 54.00 H new ATOM 348 N LYS A 22 -24.339 -4.854 -11.165 1.00 35.05 N ATOM 349 CA LYS A 22 -23.713 -3.677 -11.753 1.00 44.44 C ATOM 350 C LYS A 22 -23.730 -3.755 -13.277 1.00 34.14 C ATOM 351 O LYS A 22 -22.915 -3.124 -13.950 1.00 32.22 O ATOM 352 CB LYS A 22 -22.272 -3.538 -11.256 1.00 61.11 C ATOM 353 CG LYS A 22 -22.155 -3.470 -9.743 1.00 45.23 C ATOM 354 CD LYS A 22 -20.775 -3.896 -9.271 1.00 63.42 C ATOM 355 CE LYS A 22 -19.741 -2.807 -9.514 1.00 71.20 C ATOM 356 NZ LYS A 22 -18.350 -3.325 -9.391 1.00 13.01 N ATOM 0 H LYS A 22 -23.719 -5.659 -11.072 1.00 35.05 H new ATOM 0 HA LYS A 22 -24.284 -2.801 -11.445 1.00 44.44 H new ATOM 0 HB2 LYS A 22 -21.688 -4.383 -11.620 1.00 61.11 H new ATOM 0 HB3 LYS A 22 -21.833 -2.638 -11.687 1.00 61.11 H new ATOM 0 HG2 LYS A 22 -22.358 -2.453 -9.407 1.00 45.23 H new ATOM 0 HG3 LYS A 22 -22.910 -4.112 -9.289 1.00 45.23 H new ATOM 0 HD2 LYS A 22 -20.811 -4.134 -8.208 1.00 63.42 H new ATOM 0 HD3 LYS A 22 -20.476 -4.806 -9.792 1.00 63.42 H new ATOM 0 HE2 LYS A 22 -19.885 -2.385 -10.509 1.00 71.20 H new ATOM 0 HE3 LYS A 22 -19.892 -1.997 -8.800 1.00 71.20 H new ATOM 0 HZ1 LYS A 22 -17.675 -2.553 -9.564 1.00 13.01 H new ATOM 0 HZ2 LYS A 22 -18.204 -3.705 -8.434 1.00 13.01 H new ATOM 0 HZ3 LYS A 22 -18.198 -4.080 -10.090 1.00 13.01 H new ATOM 370 N TYR A 23 -24.665 -4.532 -13.813 1.00 40.53 N ATOM 371 CA TYR A 23 -24.788 -4.693 -15.257 1.00 50.32 C ATOM 372 C TYR A 23 -25.151 -3.370 -15.924 1.00 52.52 C ATOM 373 O TYR A 23 -24.587 -3.006 -16.956 1.00 65.10 O ATOM 374 CB TYR A 23 -25.845 -5.749 -15.585 1.00 43.14 C ATOM 375 CG TYR A 23 -26.071 -5.939 -17.068 1.00 41.23 C ATOM 376 CD1 TYR A 23 -26.933 -5.107 -17.772 1.00 3.31 C ATOM 377 CD2 TYR A 23 -25.422 -6.950 -17.766 1.00 22.21 C ATOM 378 CE1 TYR A 23 -27.143 -5.277 -19.127 1.00 22.25 C ATOM 379 CE2 TYR A 23 -25.625 -7.127 -19.121 1.00 23.11 C ATOM 380 CZ TYR A 23 -26.487 -6.289 -19.797 1.00 5.54 C ATOM 381 OH TYR A 23 -26.692 -6.461 -21.146 1.00 51.33 O ATOM 0 H TYR A 23 -25.348 -5.060 -13.270 1.00 40.53 H new ATOM 0 HA TYR A 23 -23.823 -5.021 -15.644 1.00 50.32 H new ATOM 0 HB2 TYR A 23 -25.544 -6.701 -15.147 1.00 43.14 H new ATOM 0 HB3 TYR A 23 -26.787 -5.466 -15.116 1.00 43.14 H new ATOM 0 HD1 TYR A 23 -27.448 -4.313 -17.251 1.00 3.31 H new ATOM 0 HD2 TYR A 23 -24.747 -7.609 -17.240 1.00 22.21 H new ATOM 0 HE1 TYR A 23 -27.817 -4.621 -19.659 1.00 22.25 H new ATOM 0 HE2 TYR A 23 -25.111 -7.917 -19.648 1.00 23.11 H new ATOM 0 HH TYR A 23 -26.155 -7.216 -21.465 1.00 51.33 H new ATOM 391 N ARG A 24 -26.098 -2.653 -15.326 1.00 65.22 N ATOM 392 CA ARG A 24 -26.538 -1.370 -15.861 1.00 64.42 C ATOM 393 C ARG A 24 -25.728 -0.225 -15.261 1.00 42.45 C ATOM 394 O ARG A 24 -26.093 0.943 -15.394 1.00 60.54 O ATOM 395 CB ARG A 24 -28.026 -1.160 -15.579 1.00 12.53 C ATOM 396 CG ARG A 24 -28.895 -1.203 -16.825 1.00 61.42 C ATOM 397 CD ARG A 24 -28.898 0.134 -17.549 1.00 61.24 C ATOM 398 NE ARG A 24 -29.755 0.114 -18.732 1.00 21.12 N ATOM 399 CZ ARG A 24 -29.854 1.127 -19.585 1.00 43.20 C ATOM 400 NH1 ARG A 24 -29.152 2.235 -19.388 1.00 61.31 N ATOM 401 NH2 ARG A 24 -30.655 1.034 -20.638 1.00 74.42 N ATOM 0 H ARG A 24 -26.575 -2.939 -14.471 1.00 65.22 H new ATOM 0 HA ARG A 24 -26.378 -1.379 -16.939 1.00 64.42 H new ATOM 0 HB2 ARG A 24 -28.367 -1.926 -14.882 1.00 12.53 H new ATOM 0 HB3 ARG A 24 -28.161 -0.198 -15.085 1.00 12.53 H new ATOM 0 HG2 ARG A 24 -28.532 -1.981 -17.497 1.00 61.42 H new ATOM 0 HG3 ARG A 24 -29.915 -1.471 -16.549 1.00 61.42 H new ATOM 0 HD2 ARG A 24 -29.238 0.914 -16.868 1.00 61.24 H new ATOM 0 HD3 ARG A 24 -27.880 0.389 -17.843 1.00 61.24 H new ATOM 0 HE ARG A 24 -30.308 -0.724 -18.913 1.00 21.12 H new ATOM 0 HH11 ARG A 24 -28.534 2.310 -18.580 1.00 61.31 H new ATOM 0 HH12 ARG A 24 -29.230 3.012 -20.045 1.00 61.31 H new ATOM 0 HH21 ARG A 24 -31.196 0.184 -20.794 1.00 74.42 H new ATOM 0 HH22 ARG A 24 -30.730 1.813 -21.292 1.00 74.42 H new ATOM 415 N ASN A 25 -24.627 -0.567 -14.601 1.00 23.53 N ATOM 416 CA ASN A 25 -23.766 0.432 -13.979 1.00 44.35 C ATOM 417 C ASN A 25 -22.510 0.663 -14.815 1.00 1.24 C ATOM 418 O ASN A 25 -22.042 1.794 -14.951 1.00 71.23 O ATOM 419 CB ASN A 25 -23.378 -0.006 -12.566 1.00 10.13 C ATOM 420 CG ASN A 25 -24.498 0.209 -11.566 1.00 51.32 C ATOM 421 OD1 ASN A 25 -24.275 0.714 -10.466 1.00 25.54 O ATOM 422 ND2 ASN A 25 -25.712 -0.173 -11.946 1.00 64.43 N ATOM 0 H ASN A 25 -24.310 -1.529 -14.483 1.00 23.53 H new ATOM 0 HA ASN A 25 -24.321 1.368 -13.922 1.00 44.35 H new ATOM 0 HB2 ASN A 25 -23.103 -1.061 -12.578 1.00 10.13 H new ATOM 0 HB3 ASN A 25 -22.497 0.550 -12.245 1.00 10.13 H new ATOM 0 HD21 ASN A 25 -26.505 -0.052 -11.316 1.00 64.43 H new ATOM 0 HD22 ASN A 25 -25.851 -0.587 -12.868 1.00 64.43 H new ATOM 429 N ASP A 26 -21.970 -0.415 -15.371 1.00 63.31 N ATOM 430 CA ASP A 26 -20.769 -0.331 -16.195 1.00 11.14 C ATOM 431 C ASP A 26 -21.041 -0.843 -17.606 1.00 1.33 C ATOM 432 O ASP A 26 -21.584 -1.932 -17.787 1.00 1.04 O ATOM 433 CB ASP A 26 -19.631 -1.131 -15.559 1.00 34.23 C ATOM 434 CG ASP A 26 -18.737 -0.273 -14.686 1.00 11.21 C ATOM 435 OD1 ASP A 26 -18.242 0.761 -15.180 1.00 40.34 O ATOM 436 OD2 ASP A 26 -18.532 -0.636 -13.508 1.00 45.45 O ATOM 0 H ASP A 26 -22.344 -1.358 -15.267 1.00 63.31 H new ATOM 0 HA ASP A 26 -20.475 0.717 -16.259 1.00 11.14 H new ATOM 0 HB2 ASP A 26 -20.050 -1.940 -14.961 1.00 34.23 H new ATOM 0 HB3 ASP A 26 -19.032 -1.592 -16.344 1.00 34.23 H new ATOM 441 N GLU A 27 -20.660 -0.048 -18.601 1.00 73.55 N ATOM 442 CA GLU A 27 -20.865 -0.421 -19.996 1.00 73.42 C ATOM 443 C GLU A 27 -20.038 -1.652 -20.358 1.00 1.43 C ATOM 444 O GLU A 27 -20.521 -2.563 -21.030 1.00 34.45 O ATOM 445 CB GLU A 27 -20.497 0.743 -20.918 1.00 54.10 C ATOM 446 CG GLU A 27 -19.079 1.250 -20.721 1.00 42.43 C ATOM 447 CD GLU A 27 -18.936 2.724 -21.048 1.00 45.15 C ATOM 448 OE1 GLU A 27 -19.675 3.210 -21.930 1.00 12.13 O ATOM 449 OE2 GLU A 27 -18.084 3.391 -20.424 1.00 53.02 O ATOM 0 H GLU A 27 -20.209 0.857 -18.468 1.00 73.55 H new ATOM 0 HA GLU A 27 -21.920 -0.661 -20.129 1.00 73.42 H new ATOM 0 HB2 GLU A 27 -20.621 0.428 -21.954 1.00 54.10 H new ATOM 0 HB3 GLU A 27 -21.194 1.564 -20.749 1.00 54.10 H new ATOM 0 HG2 GLU A 27 -18.777 1.080 -19.688 1.00 42.43 H new ATOM 0 HG3 GLU A 27 -18.401 0.674 -21.351 1.00 42.43 H new ATOM 456 N HIS A 28 -18.787 -1.670 -19.908 1.00 13.54 N ATOM 457 CA HIS A 28 -17.892 -2.787 -20.183 1.00 65.21 C ATOM 458 C HIS A 28 -18.461 -4.089 -19.627 1.00 64.25 C ATOM 459 O HIS A 28 -18.214 -5.167 -20.169 1.00 33.35 O ATOM 460 CB HIS A 28 -16.511 -2.522 -19.581 1.00 72.41 C ATOM 461 CG HIS A 28 -15.643 -1.650 -20.434 1.00 52.52 C ATOM 462 ND1 HIS A 28 -14.274 -1.578 -20.289 1.00 2.12 N ATOM 463 CD2 HIS A 28 -15.957 -0.810 -21.448 1.00 42.33 C ATOM 464 CE1 HIS A 28 -13.783 -0.730 -21.175 1.00 61.44 C ATOM 465 NE2 HIS A 28 -14.784 -0.251 -21.892 1.00 4.32 N ATOM 0 H HIS A 28 -18.371 -0.923 -19.351 1.00 13.54 H new ATOM 0 HA HIS A 28 -17.796 -2.886 -21.264 1.00 65.21 H new ATOM 0 HB2 HIS A 28 -16.633 -2.054 -18.604 1.00 72.41 H new ATOM 0 HB3 HIS A 28 -16.006 -3.474 -19.418 1.00 72.41 H new ATOM 0 HD2 HIS A 28 -16.946 -0.616 -21.836 1.00 42.33 H new ATOM 0 HE1 HIS A 28 -12.741 -0.472 -21.293 1.00 61.44 H new ATOM 0 HE2 HIS A 28 -14.699 0.424 -22.652 1.00 4.32 H new ATOM 474 N VAL A 29 -19.222 -3.982 -18.543 1.00 54.44 N ATOM 475 CA VAL A 29 -19.827 -5.150 -17.915 1.00 3.04 C ATOM 476 C VAL A 29 -20.961 -5.708 -18.767 1.00 1.10 C ATOM 477 O VAL A 29 -21.188 -6.917 -18.802 1.00 23.53 O ATOM 478 CB VAL A 29 -20.370 -4.815 -16.513 1.00 2.03 C ATOM 479 CG1 VAL A 29 -21.047 -6.030 -15.898 1.00 25.44 C ATOM 480 CG2 VAL A 29 -19.251 -4.307 -15.616 1.00 11.40 C ATOM 0 H VAL A 29 -19.434 -3.098 -18.081 1.00 54.44 H new ATOM 0 HA VAL A 29 -19.043 -5.901 -17.823 1.00 3.04 H new ATOM 0 HB VAL A 29 -21.114 -4.025 -16.610 1.00 2.03 H new ATOM 0 HG11 VAL A 29 -21.424 -5.774 -14.908 1.00 25.44 H new ATOM 0 HG12 VAL A 29 -21.876 -6.344 -16.532 1.00 25.44 H new ATOM 0 HG13 VAL A 29 -20.327 -6.844 -15.813 1.00 25.44 H new ATOM 0 HG21 VAL A 29 -19.652 -4.075 -14.629 1.00 11.40 H new ATOM 0 HG22 VAL A 29 -18.482 -5.074 -15.524 1.00 11.40 H new ATOM 0 HG23 VAL A 29 -18.816 -3.407 -16.051 1.00 11.40 H new ATOM 490 N ARG A 30 -21.670 -4.818 -19.454 1.00 32.41 N ATOM 491 CA ARG A 30 -22.782 -5.222 -20.306 1.00 41.24 C ATOM 492 C ARG A 30 -22.297 -6.113 -21.446 1.00 54.14 C ATOM 493 O ARG A 30 -22.800 -7.220 -21.640 1.00 64.30 O ATOM 494 CB ARG A 30 -23.491 -3.990 -20.873 1.00 63.44 C ATOM 495 CG ARG A 30 -24.079 -3.081 -19.807 1.00 25.03 C ATOM 496 CD ARG A 30 -24.647 -1.807 -20.412 1.00 73.32 C ATOM 497 NE ARG A 30 -25.671 -2.088 -21.415 1.00 40.13 N ATOM 498 CZ ARG A 30 -26.477 -1.161 -21.922 1.00 31.42 C ATOM 499 NH1 ARG A 30 -26.378 0.099 -21.521 1.00 75.42 N ATOM 500 NH2 ARG A 30 -27.384 -1.495 -22.831 1.00 41.34 N ATOM 0 H ARG A 30 -21.494 -3.813 -19.437 1.00 32.41 H new ATOM 0 HA ARG A 30 -23.486 -5.790 -19.698 1.00 41.24 H new ATOM 0 HB2 ARG A 30 -22.784 -3.419 -21.475 1.00 63.44 H new ATOM 0 HB3 ARG A 30 -24.288 -4.316 -21.541 1.00 63.44 H new ATOM 0 HG2 ARG A 30 -24.865 -3.611 -19.269 1.00 25.03 H new ATOM 0 HG3 ARG A 30 -23.309 -2.827 -19.079 1.00 25.03 H new ATOM 0 HD2 ARG A 30 -25.073 -1.189 -19.622 1.00 73.32 H new ATOM 0 HD3 ARG A 30 -23.841 -1.231 -20.868 1.00 73.32 H new ATOM 0 HE ARG A 30 -25.773 -3.048 -21.744 1.00 40.13 H new ATOM 0 HH11 ARG A 30 -25.682 0.359 -20.822 1.00 75.42 H new ATOM 0 HH12 ARG A 30 -26.998 0.809 -21.912 1.00 75.42 H new ATOM 0 HH21 ARG A 30 -27.463 -2.464 -23.141 1.00 41.34 H new ATOM 0 HH22 ARG A 30 -28.002 -0.783 -23.220 1.00 41.34 H new ATOM 514 N LYS A 31 -21.319 -5.622 -22.199 1.00 24.10 N ATOM 515 CA LYS A 31 -20.765 -6.373 -23.320 1.00 5.44 C ATOM 516 C LYS A 31 -20.133 -7.677 -22.842 1.00 53.41 C ATOM 517 O LYS A 31 -20.195 -8.696 -23.530 1.00 2.14 O ATOM 518 CB LYS A 31 -19.723 -5.530 -24.059 1.00 62.11 C ATOM 519 CG LYS A 31 -18.399 -5.417 -23.324 1.00 25.43 C ATOM 520 CD LYS A 31 -17.378 -4.630 -24.130 1.00 35.55 C ATOM 521 CE LYS A 31 -15.957 -5.052 -23.792 1.00 45.01 C ATOM 522 NZ LYS A 31 -15.546 -4.585 -22.439 1.00 42.21 N ATOM 0 H LYS A 31 -20.893 -4.707 -22.054 1.00 24.10 H new ATOM 0 HA LYS A 31 -21.580 -6.614 -24.003 1.00 5.44 H new ATOM 0 HB2 LYS A 31 -19.547 -5.966 -25.042 1.00 62.11 H new ATOM 0 HB3 LYS A 31 -20.126 -4.530 -24.221 1.00 62.11 H new ATOM 0 HG2 LYS A 31 -18.557 -4.931 -22.361 1.00 25.43 H new ATOM 0 HG3 LYS A 31 -18.010 -6.414 -23.118 1.00 25.43 H new ATOM 0 HD2 LYS A 31 -17.560 -4.779 -25.194 1.00 35.55 H new ATOM 0 HD3 LYS A 31 -17.499 -3.565 -23.932 1.00 35.55 H new ATOM 0 HE2 LYS A 31 -15.880 -6.138 -23.840 1.00 45.01 H new ATOM 0 HE3 LYS A 31 -15.272 -4.650 -24.538 1.00 45.01 H new ATOM 0 HZ1 LYS A 31 -14.571 -4.893 -22.247 1.00 42.21 H new ATOM 0 HZ2 LYS A 31 -15.595 -3.547 -22.400 1.00 42.21 H new ATOM 0 HZ3 LYS A 31 -16.184 -4.989 -21.724 1.00 42.21 H new ATOM 536 N VAL A 32 -19.528 -7.637 -21.659 1.00 63.44 N ATOM 537 CA VAL A 32 -18.888 -8.817 -21.089 1.00 4.41 C ATOM 538 C VAL A 32 -19.922 -9.853 -20.665 1.00 55.14 C ATOM 539 O VAL A 32 -19.807 -11.033 -20.997 1.00 22.03 O ATOM 540 CB VAL A 32 -18.017 -8.450 -19.872 1.00 52.54 C ATOM 541 CG1 VAL A 32 -17.596 -9.702 -19.119 1.00 70.24 C ATOM 542 CG2 VAL A 32 -16.802 -7.647 -20.310 1.00 45.24 C ATOM 0 H VAL A 32 -19.468 -6.801 -21.077 1.00 63.44 H new ATOM 0 HA VAL A 32 -18.253 -9.240 -21.868 1.00 4.41 H new ATOM 0 HB VAL A 32 -18.609 -7.832 -19.197 1.00 52.54 H new ATOM 0 HG11 VAL A 32 -16.982 -9.423 -18.263 1.00 70.24 H new ATOM 0 HG12 VAL A 32 -18.482 -10.233 -18.772 1.00 70.24 H new ATOM 0 HG13 VAL A 32 -17.022 -10.349 -19.782 1.00 70.24 H new ATOM 0 HG21 VAL A 32 -16.198 -7.396 -19.438 1.00 45.24 H new ATOM 0 HG22 VAL A 32 -16.207 -8.238 -21.006 1.00 45.24 H new ATOM 0 HG23 VAL A 32 -17.129 -6.730 -20.800 1.00 45.24 H new ATOM 552 N PHE A 33 -20.935 -9.404 -19.931 1.00 20.11 N ATOM 553 CA PHE A 33 -21.991 -10.293 -19.461 1.00 14.40 C ATOM 554 C PHE A 33 -22.876 -10.746 -20.619 1.00 25.51 C ATOM 555 O PHE A 33 -23.521 -11.792 -20.548 1.00 73.20 O ATOM 556 CB PHE A 33 -22.842 -9.592 -18.399 1.00 42.25 C ATOM 557 CG PHE A 33 -23.247 -10.491 -17.266 1.00 41.34 C ATOM 558 CD1 PHE A 33 -22.328 -10.866 -16.300 1.00 62.51 C ATOM 559 CD2 PHE A 33 -24.547 -10.960 -17.168 1.00 63.40 C ATOM 560 CE1 PHE A 33 -22.697 -11.693 -15.256 1.00 34.31 C ATOM 561 CE2 PHE A 33 -24.922 -11.787 -16.126 1.00 31.00 C ATOM 562 CZ PHE A 33 -23.996 -12.155 -15.169 1.00 51.14 C ATOM 0 H PHE A 33 -21.047 -8.430 -19.649 1.00 20.11 H new ATOM 0 HA PHE A 33 -21.522 -11.172 -19.019 1.00 14.40 H new ATOM 0 HB2 PHE A 33 -22.284 -8.745 -17.999 1.00 42.25 H new ATOM 0 HB3 PHE A 33 -23.738 -9.189 -18.871 1.00 42.25 H new ATOM 0 HD1 PHE A 33 -21.311 -10.508 -16.363 1.00 62.51 H new ATOM 0 HD2 PHE A 33 -25.275 -10.676 -17.914 1.00 63.40 H new ATOM 0 HE1 PHE A 33 -21.971 -11.978 -14.509 1.00 34.31 H new ATOM 0 HE2 PHE A 33 -25.939 -12.145 -16.060 1.00 31.00 H new ATOM 0 HZ PHE A 33 -24.287 -12.802 -14.355 1.00 51.14 H new ATOM 572 N ASP A 34 -22.899 -9.952 -21.684 1.00 33.35 N ATOM 573 CA ASP A 34 -23.703 -10.271 -22.858 1.00 32.44 C ATOM 574 C ASP A 34 -23.110 -11.454 -23.617 1.00 50.24 C ATOM 575 O ASP A 34 -23.818 -12.398 -23.966 1.00 14.42 O ATOM 576 CB ASP A 34 -23.803 -9.055 -23.780 1.00 32.24 C ATOM 577 CG ASP A 34 -24.172 -9.434 -25.200 1.00 65.54 C ATOM 578 OD1 ASP A 34 -25.132 -10.212 -25.376 1.00 74.23 O ATOM 579 OD2 ASP A 34 -23.498 -8.954 -26.137 1.00 34.24 O ATOM 0 H ASP A 34 -22.370 -9.083 -21.758 1.00 33.35 H new ATOM 0 HA ASP A 34 -24.703 -10.544 -22.520 1.00 32.44 H new ATOM 0 HB2 ASP A 34 -24.549 -8.364 -23.386 1.00 32.24 H new ATOM 0 HB3 ASP A 34 -22.850 -8.527 -23.784 1.00 32.24 H new ATOM 584 N GLU A 35 -21.806 -11.394 -23.871 1.00 55.23 N ATOM 585 CA GLU A 35 -21.119 -12.459 -24.592 1.00 34.33 C ATOM 586 C GLU A 35 -21.082 -13.740 -23.763 1.00 3.02 C ATOM 587 O GLU A 35 -21.232 -14.840 -24.295 1.00 21.44 O ATOM 588 CB GLU A 35 -19.695 -12.028 -24.949 1.00 15.22 C ATOM 589 CG GLU A 35 -18.861 -11.627 -23.744 1.00 64.31 C ATOM 590 CD GLU A 35 -17.460 -11.187 -24.125 1.00 34.20 C ATOM 591 OE1 GLU A 35 -17.296 -10.623 -25.227 1.00 63.53 O ATOM 592 OE2 GLU A 35 -16.530 -11.406 -23.322 1.00 22.42 O ATOM 0 H GLU A 35 -21.205 -10.620 -23.588 1.00 55.23 H new ATOM 0 HA GLU A 35 -21.672 -12.656 -25.511 1.00 34.33 H new ATOM 0 HB2 GLU A 35 -19.197 -12.846 -25.470 1.00 15.22 H new ATOM 0 HB3 GLU A 35 -19.741 -11.189 -25.644 1.00 15.22 H new ATOM 0 HG2 GLU A 35 -19.361 -10.816 -23.214 1.00 64.31 H new ATOM 0 HG3 GLU A 35 -18.799 -12.468 -23.054 1.00 64.31 H new ATOM 599 N ILE A 36 -20.880 -13.588 -22.458 1.00 44.34 N ATOM 600 CA ILE A 36 -20.823 -14.731 -21.556 1.00 65.12 C ATOM 601 C ILE A 36 -22.197 -15.372 -21.394 1.00 24.15 C ATOM 602 O ILE A 36 -22.316 -16.594 -21.314 1.00 60.31 O ATOM 603 CB ILE A 36 -20.289 -14.327 -20.169 1.00 34.42 C ATOM 604 CG1 ILE A 36 -18.888 -13.726 -20.292 1.00 51.52 C ATOM 605 CG2 ILE A 36 -20.275 -15.529 -19.236 1.00 72.55 C ATOM 606 CD1 ILE A 36 -18.496 -12.860 -19.115 1.00 74.01 C ATOM 0 H ILE A 36 -20.753 -12.684 -22.002 1.00 44.34 H new ATOM 0 HA ILE A 36 -20.139 -15.453 -22.003 1.00 65.12 H new ATOM 0 HB ILE A 36 -20.952 -13.571 -19.747 1.00 34.42 H new ATOM 0 HG12 ILE A 36 -18.163 -14.533 -20.396 1.00 51.52 H new ATOM 0 HG13 ILE A 36 -18.836 -13.131 -21.204 1.00 51.52 H new ATOM 0 HG21 ILE A 36 -19.895 -15.227 -18.260 1.00 72.55 H new ATOM 0 HG22 ILE A 36 -21.288 -15.917 -19.127 1.00 72.55 H new ATOM 0 HG23 ILE A 36 -19.632 -16.305 -19.652 1.00 72.55 H new ATOM 0 HD11 ILE A 36 -17.491 -12.468 -19.271 1.00 74.01 H new ATOM 0 HD12 ILE A 36 -19.199 -12.032 -19.023 1.00 74.01 H new ATOM 0 HD13 ILE A 36 -18.516 -13.456 -18.202 1.00 74.01 H new ATOM 618 N GLN A 37 -23.231 -14.538 -21.347 1.00 24.44 N ATOM 619 CA GLN A 37 -24.597 -15.024 -21.195 1.00 21.53 C ATOM 620 C GLN A 37 -25.031 -15.821 -22.421 1.00 2.21 C ATOM 621 O GLN A 37 -25.726 -16.830 -22.303 1.00 3.44 O ATOM 622 CB GLN A 37 -25.555 -13.854 -20.967 1.00 2.21 C ATOM 623 CG GLN A 37 -25.676 -13.442 -19.509 1.00 1.43 C ATOM 624 CD GLN A 37 -26.603 -12.258 -19.312 1.00 23.22 C ATOM 625 OE1 GLN A 37 -27.526 -12.307 -18.498 1.00 43.51 O ATOM 626 NE2 GLN A 37 -26.361 -11.186 -20.058 1.00 34.44 N ATOM 0 H GLN A 37 -23.149 -13.523 -21.412 1.00 24.44 H new ATOM 0 HA GLN A 37 -24.627 -15.683 -20.327 1.00 21.53 H new ATOM 0 HB2 GLN A 37 -25.216 -12.998 -21.551 1.00 2.21 H new ATOM 0 HB3 GLN A 37 -26.542 -14.125 -21.342 1.00 2.21 H new ATOM 0 HG2 GLN A 37 -26.043 -14.287 -18.926 1.00 1.43 H new ATOM 0 HG3 GLN A 37 -24.688 -13.193 -19.122 1.00 1.43 H new ATOM 0 HE21 GLN A 37 -25.585 -11.190 -20.720 1.00 34.44 H new ATOM 0 HE22 GLN A 37 -26.951 -10.359 -19.969 1.00 34.44 H new ATOM 635 N GLN A 38 -24.616 -15.360 -23.597 1.00 15.03 N ATOM 636 CA GLN A 38 -24.964 -16.030 -24.844 1.00 40.45 C ATOM 637 C GLN A 38 -24.142 -17.301 -25.027 1.00 33.41 C ATOM 638 O GLN A 38 -24.692 -18.387 -25.216 1.00 41.22 O ATOM 639 CB GLN A 38 -24.742 -15.090 -26.031 1.00 62.10 C ATOM 640 CG GLN A 38 -25.509 -13.782 -25.924 1.00 34.43 C ATOM 641 CD GLN A 38 -26.784 -13.785 -26.745 1.00 3.42 C ATOM 642 OE1 GLN A 38 -26.865 -13.135 -27.788 1.00 30.22 O ATOM 643 NE2 GLN A 38 -27.788 -14.517 -26.278 1.00 20.23 N ATOM 0 H GLN A 38 -24.039 -14.527 -23.712 1.00 15.03 H new ATOM 0 HA GLN A 38 -26.018 -16.304 -24.798 1.00 40.45 H new ATOM 0 HB2 GLN A 38 -23.678 -14.871 -26.116 1.00 62.10 H new ATOM 0 HB3 GLN A 38 -25.037 -15.600 -26.948 1.00 62.10 H new ATOM 0 HG2 GLN A 38 -25.755 -13.594 -24.879 1.00 34.43 H new ATOM 0 HG3 GLN A 38 -24.871 -12.963 -26.254 1.00 34.43 H new ATOM 0 HE21 GLN A 38 -27.677 -15.040 -25.409 1.00 20.23 H new ATOM 0 HE22 GLN A 38 -28.671 -14.557 -26.788 1.00 20.23 H new ATOM 652 N LYS A 39 -22.822 -17.160 -24.969 1.00 74.42 N ATOM 653 CA LYS A 39 -21.923 -18.297 -25.127 1.00 73.50 C ATOM 654 C LYS A 39 -22.278 -19.412 -24.147 1.00 50.44 C ATOM 655 O LYS A 39 -22.103 -20.594 -24.446 1.00 2.21 O ATOM 656 CB LYS A 39 -20.472 -17.860 -24.915 1.00 13.04 C ATOM 657 CG LYS A 39 -20.088 -17.716 -23.452 1.00 54.32 C ATOM 658 CD LYS A 39 -18.688 -17.148 -23.297 1.00 4.12 C ATOM 659 CE LYS A 39 -17.627 -18.222 -23.485 1.00 1.32 C ATOM 660 NZ LYS A 39 -16.337 -17.650 -23.960 1.00 43.31 N ATOM 0 H LYS A 39 -22.351 -16.269 -24.814 1.00 74.42 H new ATOM 0 HA LYS A 39 -22.036 -18.679 -26.142 1.00 73.50 H new ATOM 0 HB2 LYS A 39 -19.810 -18.587 -25.386 1.00 13.04 H new ATOM 0 HB3 LYS A 39 -20.311 -16.908 -25.420 1.00 13.04 H new ATOM 0 HG2 LYS A 39 -20.803 -17.065 -22.949 1.00 54.32 H new ATOM 0 HG3 LYS A 39 -20.143 -18.688 -22.963 1.00 54.32 H new ATOM 0 HD2 LYS A 39 -18.534 -16.352 -24.025 1.00 4.12 H new ATOM 0 HD3 LYS A 39 -18.583 -16.700 -22.309 1.00 4.12 H new ATOM 0 HE2 LYS A 39 -17.467 -18.744 -22.541 1.00 1.32 H new ATOM 0 HE3 LYS A 39 -17.982 -18.962 -24.202 1.00 1.32 H new ATOM 0 HZ1 LYS A 39 -15.640 -18.414 -24.076 1.00 43.31 H new ATOM 0 HZ2 LYS A 39 -16.484 -17.174 -24.873 1.00 43.31 H new ATOM 0 HZ3 LYS A 39 -15.985 -16.963 -23.264 1.00 43.31 H new ATOM 674 N LEU A 40 -22.779 -19.028 -22.978 1.00 44.13 N ATOM 675 CA LEU A 40 -23.160 -19.995 -21.955 1.00 2.13 C ATOM 676 C LEU A 40 -24.653 -20.299 -22.022 1.00 61.45 C ATOM 677 O LEU A 40 -25.132 -21.250 -21.404 1.00 31.15 O ATOM 678 CB LEU A 40 -22.798 -19.466 -20.566 1.00 20.44 C ATOM 679 CG LEU A 40 -21.304 -19.329 -20.268 1.00 35.22 C ATOM 680 CD1 LEU A 40 -21.086 -18.862 -18.837 1.00 52.01 C ATOM 681 CD2 LEU A 40 -20.588 -20.649 -20.515 1.00 41.31 C ATOM 0 H LEU A 40 -22.931 -18.054 -22.715 1.00 44.13 H new ATOM 0 HA LEU A 40 -22.611 -20.918 -22.140 1.00 2.13 H new ATOM 0 HB2 LEU A 40 -23.265 -18.489 -20.438 1.00 20.44 H new ATOM 0 HB3 LEU A 40 -23.237 -20.129 -19.821 1.00 20.44 H new ATOM 0 HG LEU A 40 -20.886 -18.580 -20.941 1.00 35.22 H new ATOM 0 HD11 LEU A 40 -20.017 -18.770 -18.643 1.00 52.01 H new ATOM 0 HD12 LEU A 40 -21.565 -17.894 -18.693 1.00 52.01 H new ATOM 0 HD13 LEU A 40 -21.519 -19.587 -18.148 1.00 52.01 H new ATOM 0 HD21 LEU A 40 -19.526 -20.533 -20.298 1.00 41.31 H new ATOM 0 HD22 LEU A 40 -21.009 -21.418 -19.867 1.00 41.31 H new ATOM 0 HD23 LEU A 40 -20.715 -20.943 -21.557 1.00 41.31 H new ATOM 693 N HIS A 41 -25.384 -19.487 -22.780 1.00 65.40 N ATOM 694 CA HIS A 41 -26.822 -19.672 -22.931 1.00 55.43 C ATOM 695 C HIS A 41 -27.534 -19.512 -21.591 1.00 74.13 C ATOM 696 O HIS A 41 -28.597 -20.094 -21.368 1.00 4.44 O ATOM 697 CB HIS A 41 -27.122 -21.050 -23.520 1.00 73.33 C ATOM 698 CG HIS A 41 -26.352 -21.348 -24.770 1.00 55.01 C ATOM 699 ND1 HIS A 41 -26.940 -21.428 -26.015 1.00 32.41 N ATOM 700 CD2 HIS A 41 -25.034 -21.584 -24.963 1.00 5.55 C ATOM 701 CE1 HIS A 41 -26.016 -21.702 -26.919 1.00 34.23 C ATOM 702 NE2 HIS A 41 -24.850 -21.801 -26.306 1.00 54.10 N ATOM 0 H HIS A 41 -25.004 -18.695 -23.299 1.00 65.40 H new ATOM 0 HA HIS A 41 -27.192 -18.906 -23.613 1.00 55.43 H new ATOM 0 HB2 HIS A 41 -26.896 -21.812 -22.774 1.00 73.33 H new ATOM 0 HB3 HIS A 41 -28.188 -21.120 -23.735 1.00 73.33 H new ATOM 0 HD2 HIS A 41 -24.268 -21.599 -24.202 1.00 5.55 H new ATOM 0 HE1 HIS A 41 -26.185 -21.824 -27.979 1.00 34.23 H new ATOM 0 HE2 HIS A 41 -23.958 -22.005 -26.757 1.00 54.10 H new ATOM 711 N CYS A 42 -26.942 -18.721 -20.703 1.00 33.33 N ATOM 712 CA CYS A 42 -27.518 -18.486 -19.384 1.00 52.23 C ATOM 713 C CYS A 42 -27.996 -17.043 -19.249 1.00 54.14 C ATOM 714 O CYS A 42 -27.618 -16.175 -20.037 1.00 24.41 O ATOM 715 CB CYS A 42 -26.492 -18.799 -18.293 1.00 53.32 C ATOM 716 SG CYS A 42 -24.979 -17.788 -18.383 1.00 55.02 S ATOM 0 H CYS A 42 -26.063 -18.232 -20.873 1.00 33.33 H new ATOM 0 HA CYS A 42 -28.376 -19.148 -19.267 1.00 52.23 H new ATOM 0 HB2 CYS A 42 -26.957 -18.651 -17.318 1.00 53.32 H new ATOM 0 HB3 CYS A 42 -26.217 -19.852 -18.359 1.00 53.32 H new ATOM 721 N CYS A 43 -28.831 -16.793 -18.246 1.00 22.42 N ATOM 722 CA CYS A 43 -29.362 -15.457 -18.006 1.00 62.03 C ATOM 723 C CYS A 43 -29.038 -14.989 -16.590 1.00 55.02 C ATOM 724 O CYS A 43 -29.082 -15.771 -15.641 1.00 52.24 O ATOM 725 CB CYS A 43 -30.876 -15.440 -18.228 1.00 5.42 C ATOM 726 SG CYS A 43 -31.603 -13.770 -18.263 1.00 44.32 S ATOM 0 H CYS A 43 -29.155 -17.500 -17.585 1.00 22.42 H new ATOM 0 HA CYS A 43 -28.891 -14.773 -18.712 1.00 62.03 H new ATOM 0 HB2 CYS A 43 -31.100 -15.942 -19.169 1.00 5.42 H new ATOM 0 HB3 CYS A 43 -31.355 -16.017 -17.437 1.00 5.42 H new ATOM 731 N GLY A 44 -28.714 -13.706 -16.456 1.00 61.53 N ATOM 732 CA GLY A 44 -28.388 -13.156 -15.154 1.00 12.13 C ATOM 733 C GLY A 44 -27.280 -13.924 -14.460 1.00 55.21 C ATOM 734 O GLY A 44 -26.732 -14.874 -15.017 1.00 73.42 O ATOM 0 H GLY A 44 -28.672 -13.038 -17.226 1.00 61.53 H new ATOM 0 HA2 GLY A 44 -28.087 -12.114 -15.268 1.00 12.13 H new ATOM 0 HA3 GLY A 44 -29.279 -13.164 -14.526 1.00 12.13 H new ATOM 738 N ALA A 45 -26.949 -13.510 -13.241 1.00 60.05 N ATOM 739 CA ALA A 45 -25.900 -14.166 -12.471 1.00 43.22 C ATOM 740 C ALA A 45 -26.345 -15.547 -12.002 1.00 3.33 C ATOM 741 O ALA A 45 -25.839 -16.566 -12.472 1.00 40.35 O ATOM 742 CB ALA A 45 -25.502 -13.305 -11.282 1.00 3.25 C ATOM 0 H ALA A 45 -27.392 -12.724 -12.766 1.00 60.05 H new ATOM 0 HA ALA A 45 -25.033 -14.294 -13.119 1.00 43.22 H new ATOM 0 HB1 ALA A 45 -24.718 -13.807 -10.716 1.00 3.25 H new ATOM 0 HB2 ALA A 45 -25.134 -12.342 -11.637 1.00 3.25 H new ATOM 0 HB3 ALA A 45 -26.369 -13.148 -10.640 1.00 3.25 H new ATOM 748 N ASP A 46 -27.293 -15.573 -11.072 1.00 23.05 N ATOM 749 CA ASP A 46 -27.806 -16.830 -10.538 1.00 52.55 C ATOM 750 C ASP A 46 -29.206 -17.115 -11.074 1.00 22.41 C ATOM 751 O ASP A 46 -29.728 -18.219 -10.917 1.00 63.11 O ATOM 752 CB ASP A 46 -27.830 -16.788 -9.010 1.00 12.22 C ATOM 753 CG ASP A 46 -27.614 -18.154 -8.390 1.00 30.32 C ATOM 754 OD1 ASP A 46 -27.865 -19.165 -9.079 1.00 65.31 O ATOM 755 OD2 ASP A 46 -27.193 -18.213 -7.216 1.00 15.34 O ATOM 0 H ASP A 46 -27.722 -14.738 -10.672 1.00 23.05 H new ATOM 0 HA ASP A 46 -27.142 -17.632 -10.860 1.00 52.55 H new ATOM 0 HB2 ASP A 46 -27.058 -16.105 -8.656 1.00 12.22 H new ATOM 0 HB3 ASP A 46 -28.787 -16.388 -8.675 1.00 12.22 H new ATOM 760 N SER A 47 -29.808 -16.113 -11.705 1.00 74.05 N ATOM 761 CA SER A 47 -31.150 -16.255 -12.260 1.00 23.02 C ATOM 762 C SER A 47 -31.522 -15.037 -13.100 1.00 61.21 C ATOM 763 O SER A 47 -30.928 -13.965 -12.983 1.00 64.34 O ATOM 764 CB SER A 47 -32.171 -16.446 -11.137 1.00 10.52 C ATOM 765 OG SER A 47 -32.912 -15.258 -10.915 1.00 32.32 O ATOM 0 H SER A 47 -29.389 -15.194 -11.845 1.00 74.05 H new ATOM 0 HA SER A 47 -31.160 -17.135 -12.904 1.00 23.02 H new ATOM 0 HB2 SER A 47 -32.850 -17.260 -11.393 1.00 10.52 H new ATOM 0 HB3 SER A 47 -31.658 -16.735 -10.220 1.00 10.52 H new ATOM 0 HG SER A 47 -33.443 -15.352 -10.096 1.00 32.32 H new ATOM 771 N PRO A 48 -32.530 -15.205 -13.969 1.00 12.44 N ATOM 772 CA PRO A 48 -33.006 -14.131 -14.846 1.00 1.32 C ATOM 773 C PRO A 48 -33.723 -13.028 -14.075 1.00 50.51 C ATOM 774 O PRO A 48 -33.741 -11.871 -14.498 1.00 23.25 O ATOM 775 CB PRO A 48 -33.979 -14.846 -15.786 1.00 54.31 C ATOM 776 CG PRO A 48 -34.446 -16.033 -15.017 1.00 12.13 C ATOM 777 CD PRO A 48 -33.284 -16.455 -14.161 1.00 0.11 C ATOM 0 HA PRO A 48 -32.185 -13.631 -15.360 1.00 1.32 H new ATOM 0 HB2 PRO A 48 -34.812 -14.199 -16.060 1.00 54.31 H new ATOM 0 HB3 PRO A 48 -33.488 -15.143 -16.713 1.00 54.31 H new ATOM 0 HG2 PRO A 48 -35.312 -15.785 -14.404 1.00 12.13 H new ATOM 0 HG3 PRO A 48 -34.750 -16.837 -15.687 1.00 12.13 H new ATOM 0 HD2 PRO A 48 -33.616 -16.874 -13.211 1.00 0.11 H new ATOM 0 HD3 PRO A 48 -32.679 -17.218 -14.652 1.00 0.11 H new ATOM 785 N LYS A 49 -34.314 -13.392 -12.942 1.00 3.30 N ATOM 786 CA LYS A 49 -35.031 -12.433 -12.110 1.00 53.02 C ATOM 787 C LYS A 49 -34.088 -11.357 -11.582 1.00 63.22 C ATOM 788 O LYS A 49 -34.527 -10.299 -11.133 1.00 53.51 O ATOM 789 CB LYS A 49 -35.711 -13.149 -10.941 1.00 24.22 C ATOM 790 CG LYS A 49 -37.004 -13.848 -11.324 1.00 24.02 C ATOM 791 CD LYS A 49 -38.048 -13.729 -10.227 1.00 11.33 C ATOM 792 CE LYS A 49 -39.133 -14.785 -10.372 1.00 63.05 C ATOM 793 NZ LYS A 49 -38.740 -16.074 -9.740 1.00 22.53 N ATOM 0 H LYS A 49 -34.310 -14.345 -12.579 1.00 3.30 H new ATOM 0 HA LYS A 49 -35.791 -11.953 -12.726 1.00 53.02 H new ATOM 0 HB2 LYS A 49 -35.021 -13.883 -10.525 1.00 24.22 H new ATOM 0 HB3 LYS A 49 -35.919 -12.424 -10.154 1.00 24.22 H new ATOM 0 HG2 LYS A 49 -37.393 -13.416 -12.246 1.00 24.02 H new ATOM 0 HG3 LYS A 49 -36.804 -14.901 -11.525 1.00 24.02 H new ATOM 0 HD2 LYS A 49 -37.568 -13.831 -9.254 1.00 11.33 H new ATOM 0 HD3 LYS A 49 -38.498 -12.737 -10.258 1.00 11.33 H new ATOM 0 HE2 LYS A 49 -40.055 -14.423 -9.917 1.00 63.05 H new ATOM 0 HE3 LYS A 49 -39.342 -14.948 -11.429 1.00 63.05 H new ATOM 0 HZ1 LYS A 49 -39.506 -16.767 -9.860 1.00 22.53 H new ATOM 0 HZ2 LYS A 49 -37.874 -16.432 -10.192 1.00 22.53 H new ATOM 0 HZ3 LYS A 49 -38.565 -15.924 -8.726 1.00 22.53 H new ATOM 807 N ASP A 50 -32.790 -11.635 -11.641 1.00 1.33 N ATOM 808 CA ASP A 50 -31.784 -10.689 -11.171 1.00 21.23 C ATOM 809 C ASP A 50 -31.926 -9.347 -11.881 1.00 42.22 C ATOM 810 O ASP A 50 -31.614 -8.298 -11.317 1.00 31.15 O ATOM 811 CB ASP A 50 -30.380 -11.253 -11.394 1.00 43.32 C ATOM 812 CG ASP A 50 -30.101 -12.471 -10.536 1.00 34.11 C ATOM 813 OD1 ASP A 50 -30.784 -12.637 -9.504 1.00 23.45 O ATOM 814 OD2 ASP A 50 -29.201 -13.258 -10.896 1.00 43.11 O ATOM 0 H ASP A 50 -32.410 -12.507 -12.009 1.00 1.33 H new ATOM 0 HA ASP A 50 -31.939 -10.532 -10.103 1.00 21.23 H new ATOM 0 HB2 ASP A 50 -30.261 -11.518 -12.445 1.00 43.32 H new ATOM 0 HB3 ASP A 50 -29.643 -10.481 -11.174 1.00 43.32 H new ATOM 819 N TYR A 51 -32.397 -9.387 -13.123 1.00 21.44 N ATOM 820 CA TYR A 51 -32.577 -8.175 -13.912 1.00 4.42 C ATOM 821 C TYR A 51 -33.946 -7.554 -13.653 1.00 72.31 C ATOM 822 O TYR A 51 -34.144 -6.355 -13.846 1.00 60.51 O ATOM 823 CB TYR A 51 -32.417 -8.482 -15.402 1.00 21.24 C ATOM 824 CG TYR A 51 -30.989 -8.765 -15.812 1.00 34.22 C ATOM 825 CD1 TYR A 51 -29.986 -7.828 -15.598 1.00 41.05 C ATOM 826 CD2 TYR A 51 -30.644 -9.969 -16.413 1.00 51.05 C ATOM 827 CE1 TYR A 51 -28.680 -8.082 -15.972 1.00 54.32 C ATOM 828 CE2 TYR A 51 -29.341 -10.232 -16.789 1.00 40.11 C ATOM 829 CZ TYR A 51 -28.363 -9.285 -16.567 1.00 22.24 C ATOM 830 OH TYR A 51 -27.064 -9.543 -16.941 1.00 2.34 O ATOM 0 H TYR A 51 -32.661 -10.247 -13.605 1.00 21.44 H new ATOM 0 HA TYR A 51 -31.811 -7.460 -13.611 1.00 4.42 H new ATOM 0 HB2 TYR A 51 -33.036 -9.342 -15.656 1.00 21.24 H new ATOM 0 HB3 TYR A 51 -32.792 -7.638 -15.981 1.00 21.24 H new ATOM 0 HD1 TYR A 51 -30.231 -6.885 -15.132 1.00 41.05 H new ATOM 0 HD2 TYR A 51 -31.408 -10.712 -16.589 1.00 51.05 H new ATOM 0 HE1 TYR A 51 -27.912 -7.343 -15.799 1.00 54.32 H new ATOM 0 HE2 TYR A 51 -29.090 -11.174 -17.254 1.00 40.11 H new ATOM 0 HH TYR A 51 -26.747 -10.352 -16.487 1.00 2.34 H new ATOM 840 N GLY A 52 -34.890 -8.381 -13.214 1.00 30.53 N ATOM 841 CA GLY A 52 -36.229 -7.898 -12.935 1.00 14.54 C ATOM 842 C GLY A 52 -37.265 -8.481 -13.876 1.00 25.04 C ATOM 843 O GLY A 52 -37.568 -9.672 -13.812 1.00 53.32 O ATOM 0 H GLY A 52 -34.751 -9.377 -13.047 1.00 30.53 H new ATOM 0 HA2 GLY A 52 -36.495 -8.147 -11.908 1.00 14.54 H new ATOM 0 HA3 GLY A 52 -36.243 -6.811 -13.013 1.00 14.54 H new ATOM 847 N GLU A 53 -37.808 -7.640 -14.750 1.00 34.02 N ATOM 848 CA GLU A 53 -38.818 -8.080 -15.706 1.00 24.00 C ATOM 849 C GLU A 53 -38.449 -7.650 -17.123 1.00 23.01 C ATOM 850 O GLU A 53 -39.300 -7.602 -18.010 1.00 11.15 O ATOM 851 CB GLU A 53 -40.189 -7.515 -15.330 1.00 41.33 C ATOM 852 CG GLU A 53 -40.176 -6.021 -15.050 1.00 25.41 C ATOM 853 CD GLU A 53 -41.459 -5.336 -15.477 1.00 32.24 C ATOM 854 OE1 GLU A 53 -42.486 -5.518 -14.790 1.00 0.32 O ATOM 855 OE2 GLU A 53 -41.436 -4.618 -16.498 1.00 51.20 O ATOM 0 H GLU A 53 -37.566 -6.651 -14.816 1.00 34.02 H new ATOM 0 HA GLU A 53 -38.861 -9.169 -15.675 1.00 24.00 H new ATOM 0 HB2 GLU A 53 -40.891 -7.718 -16.139 1.00 41.33 H new ATOM 0 HB3 GLU A 53 -40.559 -8.038 -14.448 1.00 41.33 H new ATOM 0 HG2 GLU A 53 -40.018 -5.856 -13.984 1.00 25.41 H new ATOM 0 HG3 GLU A 53 -39.334 -5.565 -15.571 1.00 25.41 H new ATOM 862 N ASN A 54 -37.173 -7.338 -17.327 1.00 51.21 N ATOM 863 CA ASN A 54 -36.691 -6.910 -18.635 1.00 63.54 C ATOM 864 C ASN A 54 -35.187 -7.137 -18.761 1.00 52.14 C ATOM 865 O ASN A 54 -34.388 -6.201 -18.723 1.00 20.21 O ATOM 866 CB ASN A 54 -37.016 -5.433 -18.864 1.00 72.14 C ATOM 867 CG ASN A 54 -38.477 -5.209 -19.206 1.00 64.24 C ATOM 868 OD1 ASN A 54 -38.887 -5.362 -20.357 1.00 62.10 O ATOM 869 ND2 ASN A 54 -39.269 -4.844 -18.205 1.00 73.53 N ATOM 0 H ASN A 54 -36.455 -7.374 -16.604 1.00 51.21 H new ATOM 0 HA ASN A 54 -37.196 -7.508 -19.394 1.00 63.54 H new ATOM 0 HB2 ASN A 54 -36.764 -4.865 -17.968 1.00 72.14 H new ATOM 0 HB3 ASN A 54 -36.393 -5.048 -19.671 1.00 72.14 H new ATOM 0 HD21 ASN A 54 -40.261 -4.678 -18.374 1.00 73.53 H new ATOM 0 HD22 ASN A 54 -38.885 -4.729 -17.267 1.00 73.53 H new ATOM 876 N PRO A 55 -34.791 -8.409 -18.916 1.00 74.13 N ATOM 877 CA PRO A 55 -33.382 -8.789 -19.052 1.00 50.45 C ATOM 878 C PRO A 55 -32.786 -8.338 -20.382 1.00 73.50 C ATOM 879 O PRO A 55 -33.497 -7.934 -21.303 1.00 25.12 O ATOM 880 CB PRO A 55 -33.417 -10.317 -18.972 1.00 41.23 C ATOM 881 CG PRO A 55 -34.787 -10.689 -19.425 1.00 3.23 C ATOM 882 CD PRO A 55 -35.689 -9.575 -18.971 1.00 53.11 C ATOM 0 HA PRO A 55 -32.759 -8.323 -18.289 1.00 50.45 H new ATOM 0 HB2 PRO A 55 -32.654 -10.764 -19.609 1.00 41.23 H new ATOM 0 HB3 PRO A 55 -33.228 -10.665 -17.956 1.00 41.23 H new ATOM 0 HG2 PRO A 55 -34.822 -10.803 -20.508 1.00 3.23 H new ATOM 0 HG3 PRO A 55 -35.096 -11.641 -18.994 1.00 3.23 H new ATOM 0 HD2 PRO A 55 -36.512 -9.416 -19.667 1.00 53.11 H new ATOM 0 HD3 PRO A 55 -36.131 -9.788 -17.998 1.00 53.11 H new ATOM 890 N PRO A 56 -31.451 -8.410 -20.487 1.00 50.54 N ATOM 891 CA PRO A 56 -30.731 -8.014 -21.701 1.00 64.34 C ATOM 892 C PRO A 56 -30.971 -8.978 -22.858 1.00 73.31 C ATOM 893 O PRO A 56 -31.380 -10.122 -22.653 1.00 0.21 O ATOM 894 CB PRO A 56 -29.262 -8.052 -21.271 1.00 13.14 C ATOM 895 CG PRO A 56 -29.224 -9.022 -20.140 1.00 41.52 C ATOM 896 CD PRO A 56 -30.542 -8.882 -19.430 1.00 2.22 C ATOM 0 HA PRO A 56 -31.057 -7.041 -22.069 1.00 64.34 H new ATOM 0 HB2 PRO A 56 -28.618 -8.373 -22.090 1.00 13.14 H new ATOM 0 HB3 PRO A 56 -28.915 -7.067 -20.960 1.00 13.14 H new ATOM 0 HG2 PRO A 56 -29.083 -10.040 -20.503 1.00 41.52 H new ATOM 0 HG3 PRO A 56 -28.394 -8.805 -19.468 1.00 41.52 H new ATOM 0 HD2 PRO A 56 -30.874 -9.831 -19.009 1.00 2.22 H new ATOM 0 HD3 PRO A 56 -30.481 -8.171 -18.606 1.00 2.22 H new ATOM 904 N THR A 57 -30.715 -8.510 -24.076 1.00 21.22 N ATOM 905 CA THR A 57 -30.904 -9.331 -25.265 1.00 53.54 C ATOM 906 C THR A 57 -30.140 -10.645 -25.155 1.00 4.43 C ATOM 907 O THR A 57 -30.554 -11.664 -25.707 1.00 13.42 O ATOM 908 CB THR A 57 -30.449 -8.590 -26.537 1.00 5.02 C ATOM 909 OG1 THR A 57 -30.591 -9.443 -27.678 1.00 50.12 O ATOM 910 CG2 THR A 57 -29.001 -8.140 -26.411 1.00 42.03 C ATOM 0 H THR A 57 -30.376 -7.567 -24.264 1.00 21.22 H new ATOM 0 HA THR A 57 -31.971 -9.541 -25.337 1.00 53.54 H new ATOM 0 HB THR A 57 -31.078 -7.709 -26.663 1.00 5.02 H new ATOM 0 HG1 THR A 57 -30.301 -8.964 -28.482 1.00 50.12 H new ATOM 0 HG21 THR A 57 -28.701 -7.619 -27.320 1.00 42.03 H new ATOM 0 HG22 THR A 57 -28.902 -7.468 -25.559 1.00 42.03 H new ATOM 0 HG23 THR A 57 -28.361 -9.010 -26.264 1.00 42.03 H new ATOM 918 N SER A 58 -29.021 -10.614 -24.437 1.00 71.31 N ATOM 919 CA SER A 58 -28.196 -11.803 -24.257 1.00 34.35 C ATOM 920 C SER A 58 -28.971 -12.896 -23.526 1.00 10.11 C ATOM 921 O SER A 58 -28.681 -14.084 -23.674 1.00 11.44 O ATOM 922 CB SER A 58 -26.926 -11.455 -23.478 1.00 72.30 C ATOM 923 OG SER A 58 -26.792 -10.053 -23.321 1.00 34.43 O ATOM 0 H SER A 58 -28.666 -9.779 -23.971 1.00 71.31 H new ATOM 0 HA SER A 58 -27.918 -12.176 -25.243 1.00 34.35 H new ATOM 0 HB2 SER A 58 -26.954 -11.933 -22.499 1.00 72.30 H new ATOM 0 HB3 SER A 58 -26.055 -11.850 -24.001 1.00 72.30 H new ATOM 0 HG SER A 58 -26.388 -9.671 -24.128 1.00 34.43 H new ATOM 929 N CYS A 59 -29.958 -12.486 -22.737 1.00 12.42 N ATOM 930 CA CYS A 59 -30.776 -13.427 -21.982 1.00 21.24 C ATOM 931 C CYS A 59 -31.587 -14.317 -22.919 1.00 61.01 C ATOM 932 O CYS A 59 -32.104 -15.357 -22.512 1.00 23.42 O ATOM 933 CB CYS A 59 -31.714 -12.675 -21.035 1.00 72.44 C ATOM 934 SG CYS A 59 -32.690 -13.757 -19.942 1.00 12.02 S ATOM 0 H CYS A 59 -30.211 -11.507 -22.604 1.00 12.42 H new ATOM 0 HA CYS A 59 -30.110 -14.060 -21.396 1.00 21.24 H new ATOM 0 HB2 CYS A 59 -31.124 -11.994 -20.422 1.00 72.44 H new ATOM 0 HB3 CYS A 59 -32.396 -12.063 -21.626 1.00 72.44 H new ATOM 939 N SER A 60 -31.694 -13.900 -24.177 1.00 24.13 N ATOM 940 CA SER A 60 -32.444 -14.657 -25.172 1.00 14.22 C ATOM 941 C SER A 60 -31.617 -14.860 -26.438 1.00 12.44 C ATOM 942 O SER A 60 -30.650 -14.139 -26.684 1.00 52.52 O ATOM 943 CB SER A 60 -33.750 -13.937 -25.512 1.00 55.43 C ATOM 944 OG SER A 60 -33.593 -12.530 -25.435 1.00 24.40 O ATOM 0 H SER A 60 -31.271 -13.042 -24.531 1.00 24.13 H new ATOM 0 HA SER A 60 -32.675 -15.635 -24.750 1.00 14.22 H new ATOM 0 HB2 SER A 60 -34.072 -14.216 -26.515 1.00 55.43 H new ATOM 0 HB3 SER A 60 -34.534 -14.256 -24.826 1.00 55.43 H new ATOM 0 HG SER A 60 -34.441 -12.093 -25.658 1.00 24.40 H new ATOM 950 N LYS A 61 -32.005 -15.847 -27.238 1.00 24.11 N ATOM 951 CA LYS A 61 -31.302 -16.147 -28.480 1.00 3.53 C ATOM 952 C LYS A 61 -32.147 -17.040 -29.382 1.00 12.13 C ATOM 953 O LYS A 61 -32.732 -18.022 -28.926 1.00 34.43 O ATOM 954 CB LYS A 61 -29.963 -16.826 -28.181 1.00 53.02 C ATOM 955 CG LYS A 61 -29.279 -17.390 -29.414 1.00 71.14 C ATOM 956 CD LYS A 61 -27.845 -16.901 -29.530 1.00 13.52 C ATOM 957 CE LYS A 61 -27.784 -15.390 -29.699 1.00 70.21 C ATOM 958 NZ LYS A 61 -27.583 -14.999 -31.122 1.00 33.30 N ATOM 0 H LYS A 61 -32.803 -16.453 -27.048 1.00 24.11 H new ATOM 0 HA LYS A 61 -31.118 -15.207 -29.000 1.00 3.53 H new ATOM 0 HB2 LYS A 61 -29.298 -16.106 -27.704 1.00 53.02 H new ATOM 0 HB3 LYS A 61 -30.126 -17.632 -27.465 1.00 53.02 H new ATOM 0 HG2 LYS A 61 -29.290 -18.479 -29.371 1.00 71.14 H new ATOM 0 HG3 LYS A 61 -29.836 -17.100 -30.305 1.00 71.14 H new ATOM 0 HD2 LYS A 61 -27.287 -17.192 -28.640 1.00 13.52 H new ATOM 0 HD3 LYS A 61 -27.362 -17.383 -30.380 1.00 13.52 H new ATOM 0 HE2 LYS A 61 -28.707 -14.945 -29.327 1.00 70.21 H new ATOM 0 HE3 LYS A 61 -26.971 -14.989 -29.094 1.00 70.21 H new ATOM 0 HZ1 LYS A 61 -27.547 -13.962 -31.195 1.00 33.30 H new ATOM 0 HZ2 LYS A 61 -26.690 -15.402 -31.470 1.00 33.30 H new ATOM 0 HZ3 LYS A 61 -28.372 -15.359 -31.696 1.00 33.30 H new ATOM 972 N ASP A 62 -32.206 -16.693 -30.663 1.00 22.22 N ATOM 973 CA ASP A 62 -32.978 -17.465 -31.629 1.00 62.54 C ATOM 974 C ASP A 62 -34.452 -17.506 -31.239 1.00 70.13 C ATOM 975 O ASP A 62 -35.170 -18.444 -31.584 1.00 52.50 O ATOM 976 CB ASP A 62 -32.426 -18.888 -31.735 1.00 30.10 C ATOM 977 CG ASP A 62 -32.726 -19.527 -33.077 1.00 21.34 C ATOM 978 OD1 ASP A 62 -33.791 -20.167 -33.205 1.00 12.24 O ATOM 979 OD2 ASP A 62 -31.896 -19.387 -33.999 1.00 21.33 O ATOM 0 H ASP A 62 -31.728 -15.882 -31.056 1.00 22.22 H new ATOM 0 HA ASP A 62 -32.891 -16.976 -32.600 1.00 62.54 H new ATOM 0 HB2 ASP A 62 -31.348 -18.869 -31.578 1.00 30.10 H new ATOM 0 HB3 ASP A 62 -32.853 -19.500 -30.941 1.00 30.10 H new ATOM 984 N GLY A 63 -34.896 -16.482 -30.517 1.00 34.23 N ATOM 985 CA GLY A 63 -36.282 -16.421 -30.091 1.00 33.15 C ATOM 986 C GLY A 63 -36.560 -17.306 -28.891 1.00 44.23 C ATOM 987 O GLY A 63 -37.690 -17.748 -28.685 1.00 1.22 O ATOM 0 H GLY A 63 -34.321 -15.694 -30.220 1.00 34.23 H new ATOM 0 HA2 GLY A 63 -36.538 -15.390 -29.846 1.00 33.15 H new ATOM 0 HA3 GLY A 63 -36.926 -16.722 -30.917 1.00 33.15 H new ATOM 991 N VAL A 64 -35.525 -17.567 -28.099 1.00 11.15 N ATOM 992 CA VAL A 64 -35.662 -18.405 -26.914 1.00 34.43 C ATOM 993 C VAL A 64 -35.219 -17.661 -25.659 1.00 62.13 C ATOM 994 O VAL A 64 -34.413 -16.734 -25.729 1.00 41.31 O ATOM 995 CB VAL A 64 -34.841 -19.702 -27.045 1.00 54.14 C ATOM 996 CG1 VAL A 64 -33.416 -19.483 -26.560 1.00 35.51 C ATOM 997 CG2 VAL A 64 -35.507 -20.834 -26.278 1.00 13.01 C ATOM 0 H VAL A 64 -34.583 -17.210 -28.257 1.00 11.15 H new ATOM 0 HA VAL A 64 -36.718 -18.659 -26.828 1.00 34.43 H new ATOM 0 HB VAL A 64 -34.802 -19.982 -28.098 1.00 54.14 H new ATOM 0 HG11 VAL A 64 -32.851 -20.410 -26.660 1.00 35.51 H new ATOM 0 HG12 VAL A 64 -32.944 -18.704 -27.158 1.00 35.51 H new ATOM 0 HG13 VAL A 64 -33.431 -19.178 -25.514 1.00 35.51 H new ATOM 0 HG21 VAL A 64 -34.913 -21.742 -26.382 1.00 13.01 H new ATOM 0 HG22 VAL A 64 -35.579 -20.566 -25.224 1.00 13.01 H new ATOM 0 HG23 VAL A 64 -36.506 -21.006 -26.678 1.00 13.01 H new ATOM 1007 N GLN A 65 -35.750 -18.075 -24.513 1.00 53.44 N ATOM 1008 CA GLN A 65 -35.409 -17.446 -23.243 1.00 23.32 C ATOM 1009 C GLN A 65 -34.536 -18.368 -22.397 1.00 15.02 C ATOM 1010 O GLN A 65 -34.814 -19.561 -22.273 1.00 20.12 O ATOM 1011 CB GLN A 65 -36.679 -17.079 -22.474 1.00 1.14 C ATOM 1012 CG GLN A 65 -36.441 -16.090 -21.344 1.00 34.12 C ATOM 1013 CD GLN A 65 -36.451 -16.750 -19.979 1.00 12.10 C ATOM 1014 OE1 GLN A 65 -37.440 -17.367 -19.582 1.00 61.53 O ATOM 1015 NE2 GLN A 65 -35.347 -16.623 -19.252 1.00 14.22 N ATOM 0 H GLN A 65 -36.417 -18.843 -24.438 1.00 53.44 H new ATOM 0 HA GLN A 65 -34.847 -16.537 -23.456 1.00 23.32 H new ATOM 0 HB2 GLN A 65 -37.405 -16.657 -23.169 1.00 1.14 H new ATOM 0 HB3 GLN A 65 -37.121 -17.987 -22.064 1.00 1.14 H new ATOM 0 HG2 GLN A 65 -35.483 -15.594 -21.496 1.00 34.12 H new ATOM 0 HG3 GLN A 65 -37.209 -15.317 -21.375 1.00 34.12 H new ATOM 0 HE21 GLN A 65 -34.551 -16.103 -19.620 1.00 14.22 H new ATOM 0 HE22 GLN A 65 -35.295 -17.046 -18.325 1.00 14.22 H new ATOM 1024 N PHE A 66 -33.481 -17.807 -21.817 1.00 24.24 N ATOM 1025 CA PHE A 66 -32.566 -18.579 -20.983 1.00 74.11 C ATOM 1026 C PHE A 66 -33.005 -18.549 -19.522 1.00 55.10 C ATOM 1027 O PHE A 66 -32.798 -17.559 -18.819 1.00 24.51 O ATOM 1028 CB PHE A 66 -31.142 -18.034 -21.111 1.00 14.13 C ATOM 1029 CG PHE A 66 -30.569 -18.174 -22.492 1.00 5.13 C ATOM 1030 CD1 PHE A 66 -30.717 -19.354 -23.202 1.00 23.55 C ATOM 1031 CD2 PHE A 66 -29.880 -17.125 -23.080 1.00 13.22 C ATOM 1032 CE1 PHE A 66 -30.190 -19.486 -24.473 1.00 32.53 C ATOM 1033 CE2 PHE A 66 -29.352 -17.251 -24.351 1.00 10.24 C ATOM 1034 CZ PHE A 66 -29.506 -18.433 -25.047 1.00 70.55 C ATOM 0 H PHE A 66 -33.238 -16.821 -21.909 1.00 24.24 H new ATOM 0 HA PHE A 66 -32.584 -19.613 -21.328 1.00 74.11 H new ATOM 0 HB2 PHE A 66 -31.138 -16.981 -20.830 1.00 14.13 H new ATOM 0 HB3 PHE A 66 -30.497 -18.556 -20.404 1.00 14.13 H new ATOM 0 HD1 PHE A 66 -31.251 -20.181 -22.757 1.00 23.55 H new ATOM 0 HD2 PHE A 66 -29.754 -16.199 -22.539 1.00 13.22 H new ATOM 0 HE1 PHE A 66 -30.313 -20.411 -25.016 1.00 32.53 H new ATOM 0 HE2 PHE A 66 -28.819 -16.425 -24.799 1.00 10.24 H new ATOM 0 HZ PHE A 66 -29.092 -18.534 -26.039 1.00 70.55 H new ATOM 1044 N THR A 67 -33.615 -19.641 -19.071 1.00 13.22 N ATOM 1045 CA THR A 67 -34.086 -19.740 -17.695 1.00 61.11 C ATOM 1046 C THR A 67 -33.014 -20.336 -16.789 1.00 75.02 C ATOM 1047 O THR A 67 -33.233 -20.518 -15.592 1.00 4.41 O ATOM 1048 CB THR A 67 -35.360 -20.600 -17.598 1.00 14.40 C ATOM 1049 OG1 THR A 67 -35.310 -21.661 -18.558 1.00 22.03 O ATOM 1050 CG2 THR A 67 -36.603 -19.754 -17.834 1.00 63.05 C ATOM 0 H THR A 67 -33.794 -20.469 -19.639 1.00 13.22 H new ATOM 0 HA THR A 67 -34.315 -18.727 -17.365 1.00 61.11 H new ATOM 0 HB THR A 67 -35.411 -21.022 -16.594 1.00 14.40 H new ATOM 0 HG1 THR A 67 -35.580 -21.320 -19.436 1.00 22.03 H new ATOM 0 HG21 THR A 67 -37.490 -20.383 -17.761 1.00 63.05 H new ATOM 0 HG22 THR A 67 -36.654 -18.965 -17.084 1.00 63.05 H new ATOM 0 HG23 THR A 67 -36.556 -19.307 -18.827 1.00 63.05 H new ATOM 1058 N GLU A 68 -31.857 -20.638 -17.369 1.00 3.33 N ATOM 1059 CA GLU A 68 -30.751 -21.214 -16.612 1.00 15.43 C ATOM 1060 C GLU A 68 -29.820 -20.122 -16.093 1.00 11.21 C ATOM 1061 O GLU A 68 -29.629 -19.094 -16.741 1.00 51.12 O ATOM 1062 CB GLU A 68 -29.967 -22.198 -17.481 1.00 44.14 C ATOM 1063 CG GLU A 68 -30.843 -23.219 -18.187 1.00 62.30 C ATOM 1064 CD GLU A 68 -30.057 -24.108 -19.131 1.00 75.54 C ATOM 1065 OE1 GLU A 68 -29.486 -23.580 -20.107 1.00 42.35 O ATOM 1066 OE2 GLU A 68 -30.015 -25.334 -18.894 1.00 3.24 O ATOM 0 H GLU A 68 -31.661 -20.494 -18.360 1.00 3.33 H new ATOM 0 HA GLU A 68 -31.168 -21.748 -15.758 1.00 15.43 H new ATOM 0 HB2 GLU A 68 -29.401 -21.640 -18.227 1.00 44.14 H new ATOM 0 HB3 GLU A 68 -29.243 -22.722 -16.858 1.00 44.14 H new ATOM 0 HG2 GLU A 68 -31.344 -23.838 -17.443 1.00 62.30 H new ATOM 0 HG3 GLU A 68 -31.621 -22.700 -18.746 1.00 62.30 H new ATOM 1073 N GLY A 69 -29.243 -20.353 -14.918 1.00 21.54 N ATOM 1074 CA GLY A 69 -28.339 -19.381 -14.330 1.00 73.55 C ATOM 1075 C GLY A 69 -26.949 -19.446 -14.930 1.00 62.24 C ATOM 1076 O GLY A 69 -26.664 -20.306 -15.764 1.00 64.33 O ATOM 0 H GLY A 69 -29.385 -21.196 -14.362 1.00 21.54 H new ATOM 0 HA2 GLY A 69 -28.746 -18.380 -14.471 1.00 73.55 H new ATOM 0 HA3 GLY A 69 -28.276 -19.552 -13.255 1.00 73.55 H new ATOM 1080 N CYS A 70 -26.081 -18.534 -14.507 1.00 45.33 N ATOM 1081 CA CYS A 70 -24.713 -18.488 -15.009 1.00 65.32 C ATOM 1082 C CYS A 70 -23.742 -19.090 -13.997 1.00 64.24 C ATOM 1083 O CYS A 70 -22.830 -19.833 -14.363 1.00 2.32 O ATOM 1084 CB CYS A 70 -24.310 -17.046 -15.323 1.00 61.14 C ATOM 1085 SG CYS A 70 -24.895 -16.446 -16.941 1.00 21.30 S ATOM 0 H CYS A 70 -26.301 -17.816 -13.817 1.00 45.33 H new ATOM 0 HA CYS A 70 -24.669 -19.078 -15.925 1.00 65.32 H new ATOM 0 HB2 CYS A 70 -24.700 -16.393 -14.543 1.00 61.14 H new ATOM 0 HB3 CYS A 70 -23.223 -16.968 -15.290 1.00 61.14 H new ATOM 1090 N ILE A 71 -23.945 -18.765 -12.725 1.00 44.33 N ATOM 1091 CA ILE A 71 -23.089 -19.274 -11.661 1.00 44.01 C ATOM 1092 C ILE A 71 -23.000 -20.796 -11.707 1.00 53.44 C ATOM 1093 O ILE A 71 -21.995 -21.383 -11.306 1.00 35.12 O ATOM 1094 CB ILE A 71 -23.599 -18.843 -10.273 1.00 44.44 C ATOM 1095 CG1 ILE A 71 -23.659 -17.317 -10.180 1.00 3.43 C ATOM 1096 CG2 ILE A 71 -22.706 -19.411 -9.181 1.00 24.13 C ATOM 1097 CD1 ILE A 71 -24.580 -16.814 -9.090 1.00 44.11 C ATOM 0 H ILE A 71 -24.695 -18.151 -12.406 1.00 44.33 H new ATOM 0 HA ILE A 71 -22.098 -18.849 -11.823 1.00 44.01 H new ATOM 0 HB ILE A 71 -24.606 -19.237 -10.133 1.00 44.44 H new ATOM 0 HG12 ILE A 71 -22.655 -16.932 -10.002 1.00 3.43 H new ATOM 0 HG13 ILE A 71 -23.990 -16.915 -11.138 1.00 3.43 H new ATOM 0 HG21 ILE A 71 -23.079 -19.098 -8.206 1.00 24.13 H new ATOM 0 HG22 ILE A 71 -22.709 -20.500 -9.238 1.00 24.13 H new ATOM 0 HG23 ILE A 71 -21.689 -19.044 -9.315 1.00 24.13 H new ATOM 0 HD11 ILE A 71 -24.573 -15.724 -9.082 1.00 44.11 H new ATOM 0 HD12 ILE A 71 -25.593 -17.169 -9.277 1.00 44.11 H new ATOM 0 HD13 ILE A 71 -24.238 -17.186 -8.124 1.00 44.11 H new ATOM 1109 N LYS A 72 -24.058 -21.429 -12.202 1.00 33.43 N ATOM 1110 CA LYS A 72 -24.101 -22.883 -12.305 1.00 21.24 C ATOM 1111 C LYS A 72 -23.422 -23.358 -13.585 1.00 61.13 C ATOM 1112 O LYS A 72 -22.680 -24.340 -13.579 1.00 63.54 O ATOM 1113 CB LYS A 72 -25.550 -23.375 -12.270 1.00 64.32 C ATOM 1114 CG LYS A 72 -26.373 -22.763 -11.150 1.00 73.43 C ATOM 1115 CD LYS A 72 -25.828 -23.145 -9.784 1.00 72.24 C ATOM 1116 CE LYS A 72 -25.048 -22.001 -9.156 1.00 14.34 C ATOM 1117 NZ LYS A 72 -25.098 -22.047 -7.668 1.00 14.20 N ATOM 0 H LYS A 72 -24.898 -20.958 -12.538 1.00 33.43 H new ATOM 0 HA LYS A 72 -23.562 -23.299 -11.453 1.00 21.24 H new ATOM 0 HB2 LYS A 72 -26.025 -23.148 -13.224 1.00 64.32 H new ATOM 0 HB3 LYS A 72 -25.554 -24.460 -12.162 1.00 64.32 H new ATOM 0 HG2 LYS A 72 -26.376 -21.678 -11.251 1.00 73.43 H new ATOM 0 HG3 LYS A 72 -27.408 -23.094 -11.235 1.00 73.43 H new ATOM 0 HD2 LYS A 72 -26.652 -23.428 -9.129 1.00 72.24 H new ATOM 0 HD3 LYS A 72 -25.182 -24.018 -9.880 1.00 72.24 H new ATOM 0 HE2 LYS A 72 -24.010 -22.045 -9.486 1.00 14.34 H new ATOM 0 HE3 LYS A 72 -25.453 -21.051 -9.504 1.00 14.34 H new ATOM 0 HZ1 LYS A 72 -24.555 -21.251 -7.278 1.00 14.20 H new ATOM 0 HZ2 LYS A 72 -26.086 -21.980 -7.352 1.00 14.20 H new ATOM 0 HZ3 LYS A 72 -24.688 -22.943 -7.334 1.00 14.20 H new ATOM 1131 N LYS A 73 -23.680 -22.654 -14.682 1.00 65.12 N ATOM 1132 CA LYS A 73 -23.091 -23.001 -15.970 1.00 75.25 C ATOM 1133 C LYS A 73 -21.576 -22.827 -15.942 1.00 14.42 C ATOM 1134 O LYS A 73 -20.829 -23.746 -16.275 1.00 30.54 O ATOM 1135 CB LYS A 73 -23.694 -22.136 -17.079 1.00 54.23 C ATOM 1136 CG LYS A 73 -25.167 -22.410 -17.332 1.00 43.12 C ATOM 1137 CD LYS A 73 -25.388 -23.812 -17.874 1.00 21.32 C ATOM 1138 CE LYS A 73 -24.719 -23.999 -19.227 1.00 52.01 C ATOM 1139 NZ LYS A 73 -25.066 -25.311 -19.841 1.00 53.40 N ATOM 0 H LYS A 73 -24.293 -21.839 -14.705 1.00 65.12 H new ATOM 0 HA LYS A 73 -23.314 -24.049 -16.172 1.00 75.25 H new ATOM 0 HB2 LYS A 73 -23.568 -21.085 -16.818 1.00 54.23 H new ATOM 0 HB3 LYS A 73 -23.138 -22.304 -18.002 1.00 54.23 H new ATOM 0 HG2 LYS A 73 -25.726 -22.285 -16.405 1.00 43.12 H new ATOM 0 HG3 LYS A 73 -25.558 -21.679 -18.040 1.00 43.12 H new ATOM 0 HD2 LYS A 73 -24.993 -24.542 -17.168 1.00 21.32 H new ATOM 0 HD3 LYS A 73 -26.457 -24.003 -17.966 1.00 21.32 H new ATOM 0 HE2 LYS A 73 -25.022 -23.194 -19.896 1.00 52.01 H new ATOM 0 HE3 LYS A 73 -23.638 -23.927 -19.110 1.00 52.01 H new ATOM 0 HZ1 LYS A 73 -24.591 -25.400 -20.762 1.00 53.40 H new ATOM 0 HZ2 LYS A 73 -24.755 -26.081 -19.215 1.00 53.40 H new ATOM 0 HZ3 LYS A 73 -26.096 -25.370 -19.976 1.00 53.40 H new