USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 GLN : amide:sc= -1.33 K(o=-2.2,f=-1.5!) USER MOD Set 1.2: A 51 TYR OH : rot 116:sc= 0.169 USER MOD Set 1.3: A 58 SER OG : rot -104:sc= -1.07 USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.007 (180deg=-0.0902) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0836) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -0.0223 (180deg=-0.195) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.8 USER MOD Single : A 25 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.0071) USER MOD Single : A 28 HIS : no HD1:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= -0.273 (180deg=-1.82!) USER MOD Single : A 41 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-0.027) USER MOD Single : A 47 SER OG : rot 40:sc= 0.619 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.58 K(o=-2.6,f=-1.3) 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= -1.79! C(o=-1.8!,f=-5.7!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.542 -12.559 -9.677 1.00 30.23 N ATOM 239 CA LEU A 16 -21.623 -12.680 -10.649 1.00 31.43 C ATOM 240 C LEU A 16 -22.905 -12.045 -10.120 1.00 2.52 C ATOM 241 O LEU A 16 -23.576 -11.293 -10.827 1.00 42.22 O ATOM 242 CB LEU A 16 -21.871 -14.152 -10.984 1.00 72.11 C ATOM 243 CG LEU A 16 -21.635 -14.558 -12.439 1.00 54.24 C ATOM 244 CD1 LEU A 16 -20.194 -14.286 -12.842 1.00 73.34 C ATOM 245 CD2 LEU A 16 -21.982 -16.025 -12.647 1.00 2.01 C ATOM 0 HA LEU A 16 -21.325 -12.152 -11.555 1.00 31.43 H new ATOM 0 HB2 LEU A 16 -21.228 -14.762 -10.349 1.00 72.11 H new ATOM 0 HB3 LEU A 16 -22.901 -14.395 -10.722 1.00 72.11 H new ATOM 0 HG LEU A 16 -22.287 -13.958 -13.074 1.00 54.24 H new ATOM 0 HD11 LEU A 16 -20.045 -14.581 -13.881 1.00 73.34 H new ATOM 0 HD12 LEU A 16 -19.980 -13.223 -12.733 1.00 73.34 H new ATOM 0 HD13 LEU A 16 -19.523 -14.859 -12.202 1.00 73.34 H new ATOM 0 HD21 LEU A 16 -21.808 -16.296 -13.688 1.00 2.01 H new ATOM 0 HD22 LEU A 16 -21.356 -16.642 -12.002 1.00 2.01 H new ATOM 0 HD23 LEU A 16 -23.031 -16.189 -12.400 1.00 2.01 H new ATOM 257 N LYS A 17 -23.238 -12.349 -8.870 1.00 73.42 N ATOM 258 CA LYS A 17 -24.437 -11.806 -8.244 1.00 13.35 C ATOM 259 C LYS A 17 -24.437 -10.281 -8.299 1.00 25.34 C ATOM 260 O LYS A 17 -25.476 -9.657 -8.513 1.00 44.22 O ATOM 261 CB LYS A 17 -24.535 -12.274 -6.790 1.00 20.11 C ATOM 262 CG LYS A 17 -24.502 -13.785 -6.634 1.00 43.40 C ATOM 263 CD LYS A 17 -25.890 -14.389 -6.760 1.00 52.10 C ATOM 264 CE LYS A 17 -26.034 -15.638 -5.905 1.00 21.42 C ATOM 265 NZ LYS A 17 -26.115 -15.311 -4.454 1.00 72.42 N ATOM 0 H LYS A 17 -22.694 -12.969 -8.270 1.00 73.42 H new ATOM 0 HA LYS A 17 -25.302 -12.172 -8.797 1.00 13.35 H new ATOM 0 HB2 LYS A 17 -23.712 -11.840 -6.221 1.00 20.11 H new ATOM 0 HB3 LYS A 17 -25.459 -11.892 -6.356 1.00 20.11 H new ATOM 0 HG2 LYS A 17 -23.847 -14.216 -7.391 1.00 43.40 H new ATOM 0 HG3 LYS A 17 -24.079 -14.042 -5.663 1.00 43.40 H new ATOM 0 HD2 LYS A 17 -26.637 -13.654 -6.460 1.00 52.10 H new ATOM 0 HD3 LYS A 17 -26.087 -14.636 -7.803 1.00 52.10 H new ATOM 0 HE2 LYS A 17 -26.929 -16.182 -6.205 1.00 21.42 H new ATOM 0 HE3 LYS A 17 -25.185 -16.299 -6.082 1.00 21.42 H new ATOM 0 HZ1 LYS A 17 -26.494 -16.128 -3.935 1.00 72.42 H new ATOM 0 HZ2 LYS A 17 -25.165 -15.084 -4.096 1.00 72.42 H new ATOM 0 HZ3 LYS A 17 -26.742 -14.493 -4.317 1.00 72.42 H new ATOM 279 N LYS A 18 -23.264 -9.687 -8.105 1.00 22.52 N ATOM 280 CA LYS A 18 -23.126 -8.236 -8.135 1.00 73.20 C ATOM 281 C LYS A 18 -23.102 -7.722 -9.571 1.00 2.22 C ATOM 282 O LYS A 18 -23.611 -6.639 -9.862 1.00 10.42 O ATOM 283 CB LYS A 18 -21.850 -7.809 -7.407 1.00 63.01 C ATOM 284 CG LYS A 18 -22.022 -7.675 -5.904 1.00 75.00 C ATOM 285 CD LYS A 18 -21.709 -8.978 -5.188 1.00 61.23 C ATOM 286 CE LYS A 18 -21.763 -8.811 -3.677 1.00 63.24 C ATOM 287 NZ LYS A 18 -23.128 -8.448 -3.208 1.00 34.12 N ATOM 0 H LYS A 18 -22.395 -10.189 -7.925 1.00 22.52 H new ATOM 0 HA LYS A 18 -23.988 -7.803 -7.627 1.00 73.20 H new ATOM 0 HB2 LYS A 18 -21.065 -8.537 -7.611 1.00 63.01 H new ATOM 0 HB3 LYS A 18 -21.513 -6.855 -7.812 1.00 63.01 H new ATOM 0 HG2 LYS A 18 -21.367 -6.888 -5.531 1.00 75.00 H new ATOM 0 HG3 LYS A 18 -23.045 -7.372 -5.680 1.00 75.00 H new ATOM 0 HD2 LYS A 18 -22.421 -9.744 -5.496 1.00 61.23 H new ATOM 0 HD3 LYS A 18 -20.719 -9.327 -5.481 1.00 61.23 H new ATOM 0 HE2 LYS A 18 -21.449 -9.738 -3.198 1.00 63.24 H new ATOM 0 HE3 LYS A 18 -21.057 -8.039 -3.371 1.00 63.24 H new ATOM 0 HZ1 LYS A 18 -23.157 -8.476 -2.169 1.00 34.12 H new ATOM 0 HZ2 LYS A 18 -23.364 -7.490 -3.535 1.00 34.12 H new ATOM 0 HZ3 LYS A 18 -23.818 -9.125 -3.592 1.00 34.12 H new ATOM 301 N LEU A 19 -22.508 -8.505 -10.465 1.00 15.12 N ATOM 302 CA LEU A 19 -22.419 -8.129 -11.872 1.00 32.14 C ATOM 303 C LEU A 19 -23.804 -7.869 -12.455 1.00 14.23 C ATOM 304 O LEU A 19 -24.058 -6.812 -13.033 1.00 4.23 O ATOM 305 CB LEU A 19 -21.716 -9.228 -12.670 1.00 24.22 C ATOM 306 CG LEU A 19 -20.204 -9.071 -12.840 1.00 31.43 C ATOM 307 CD1 LEU A 19 -19.558 -10.416 -13.133 1.00 24.33 C ATOM 308 CD2 LEU A 19 -19.892 -8.075 -13.947 1.00 34.11 C ATOM 0 H LEU A 19 -22.081 -9.404 -10.241 1.00 15.12 H new ATOM 0 HA LEU A 19 -21.838 -7.210 -11.941 1.00 32.14 H new ATOM 0 HB2 LEU A 19 -21.909 -10.184 -12.183 1.00 24.22 H new ATOM 0 HB3 LEU A 19 -22.170 -9.277 -13.660 1.00 24.22 H new ATOM 0 HG LEU A 19 -19.791 -8.688 -11.907 1.00 31.43 H new ATOM 0 HD11 LEU A 19 -18.482 -10.285 -13.251 1.00 24.33 H new ATOM 0 HD12 LEU A 19 -19.752 -11.100 -12.307 1.00 24.33 H new ATOM 0 HD13 LEU A 19 -19.976 -10.828 -14.051 1.00 24.33 H new ATOM 0 HD21 LEU A 19 -18.812 -7.976 -14.054 1.00 34.11 H new ATOM 0 HD22 LEU A 19 -20.318 -8.429 -14.886 1.00 34.11 H new ATOM 0 HD23 LEU A 19 -20.322 -7.105 -13.696 1.00 34.11 H new ATOM 320 N VAL A 20 -24.699 -8.839 -12.297 1.00 71.21 N ATOM 321 CA VAL A 20 -26.060 -8.714 -12.805 1.00 31.02 C ATOM 322 C VAL A 20 -26.781 -7.535 -12.161 1.00 23.14 C ATOM 323 O VAL A 20 -27.680 -6.943 -12.757 1.00 74.11 O ATOM 324 CB VAL A 20 -26.873 -9.998 -12.554 1.00 11.13 C ATOM 325 CG1 VAL A 20 -27.073 -10.221 -11.062 1.00 43.43 C ATOM 326 CG2 VAL A 20 -28.211 -9.930 -13.275 1.00 21.43 C ATOM 0 H VAL A 20 -24.506 -9.720 -11.821 1.00 71.21 H new ATOM 0 HA VAL A 20 -25.983 -8.546 -13.879 1.00 31.02 H new ATOM 0 HB VAL A 20 -26.314 -10.845 -12.952 1.00 11.13 H new ATOM 0 HG11 VAL A 20 -27.649 -11.133 -10.904 1.00 43.43 H new ATOM 0 HG12 VAL A 20 -26.102 -10.317 -10.575 1.00 43.43 H new ATOM 0 HG13 VAL A 20 -27.611 -9.374 -10.636 1.00 43.43 H new ATOM 0 HG21 VAL A 20 -28.773 -10.845 -13.087 1.00 21.43 H new ATOM 0 HG22 VAL A 20 -28.778 -9.074 -12.909 1.00 21.43 H new ATOM 0 HG23 VAL A 20 -28.042 -9.822 -14.346 1.00 21.43 H new ATOM 336 N ASP A 21 -26.379 -7.199 -10.940 1.00 0.11 N ATOM 337 CA ASP A 21 -26.985 -6.089 -10.214 1.00 52.31 C ATOM 338 C ASP A 21 -26.416 -4.755 -10.687 1.00 50.22 C ATOM 339 O ASP A 21 -27.089 -3.726 -10.633 1.00 15.53 O ATOM 340 CB ASP A 21 -26.758 -6.250 -8.710 1.00 42.22 C ATOM 341 CG ASP A 21 -27.826 -5.558 -7.886 1.00 24.12 C ATOM 342 OD1 ASP A 21 -28.867 -6.190 -7.614 1.00 74.44 O ATOM 343 OD2 ASP A 21 -27.620 -4.384 -7.513 1.00 2.12 O ATOM 0 H ASP A 21 -25.636 -7.679 -10.432 1.00 0.11 H new ATOM 0 HA ASP A 21 -28.056 -6.098 -10.415 1.00 52.31 H new ATOM 0 HB2 ASP A 21 -26.740 -7.311 -8.460 1.00 42.22 H new ATOM 0 HB3 ASP A 21 -25.781 -5.844 -8.447 1.00 42.22 H new ATOM 348 N LYS A 22 -25.171 -4.780 -11.151 1.00 0.45 N ATOM 349 CA LYS A 22 -24.510 -3.573 -11.634 1.00 23.33 C ATOM 350 C LYS A 22 -24.418 -3.576 -13.156 1.00 44.12 C ATOM 351 O LYS A 22 -23.565 -2.905 -13.737 1.00 44.43 O ATOM 352 CB LYS A 22 -23.109 -3.457 -11.028 1.00 32.14 C ATOM 353 CG LYS A 22 -23.100 -3.481 -9.509 1.00 22.40 C ATOM 354 CD LYS A 22 -21.802 -4.058 -8.969 1.00 1.14 C ATOM 355 CE LYS A 22 -21.880 -4.297 -7.469 1.00 11.05 C ATOM 356 NZ LYS A 22 -22.348 -3.087 -6.738 1.00 2.24 N ATOM 0 H LYS A 22 -24.599 -5.623 -11.203 1.00 0.45 H new ATOM 0 HA LYS A 22 -25.105 -2.714 -11.325 1.00 23.33 H new ATOM 0 HB2 LYS A 22 -22.492 -4.275 -11.400 1.00 32.14 H new ATOM 0 HB3 LYS A 22 -22.649 -2.530 -11.371 1.00 32.14 H new ATOM 0 HG2 LYS A 22 -23.236 -2.469 -9.127 1.00 22.40 H new ATOM 0 HG3 LYS A 22 -23.941 -4.074 -9.148 1.00 22.40 H new ATOM 0 HD2 LYS A 22 -21.581 -4.997 -9.477 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -20.981 -3.376 -9.188 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -22.557 -5.127 -7.268 1.00 11.05 H new ATOM 0 HE3 LYS A 22 -20.898 -4.589 -7.096 1.00 11.05 H new ATOM 0 HZ1 LYS A 22 -22.181 -3.211 -5.719 1.00 2.24 H new ATOM 0 HZ2 LYS A 22 -21.826 -2.254 -7.076 1.00 2.24 H new ATOM 0 HZ3 LYS A 22 -23.365 -2.951 -6.908 1.00 2.24 H new ATOM 370 N TYR A 23 -25.301 -4.333 -13.796 1.00 72.54 N ATOM 371 CA TYR A 23 -25.319 -4.424 -15.252 1.00 4.35 C ATOM 372 C TYR A 23 -25.639 -3.070 -15.878 1.00 11.25 C ATOM 373 O TYR A 23 -25.005 -2.657 -16.849 1.00 11.34 O ATOM 374 CB TYR A 23 -26.343 -5.464 -15.707 1.00 14.03 C ATOM 375 CG TYR A 23 -26.391 -5.652 -17.206 1.00 44.33 C ATOM 376 CD1 TYR A 23 -27.102 -4.773 -18.014 1.00 11.21 C ATOM 377 CD2 TYR A 23 -25.725 -6.708 -17.815 1.00 62.05 C ATOM 378 CE1 TYR A 23 -27.149 -4.941 -19.384 1.00 44.44 C ATOM 379 CE2 TYR A 23 -25.765 -6.883 -19.185 1.00 43.32 C ATOM 380 CZ TYR A 23 -26.478 -5.997 -19.965 1.00 40.33 C ATOM 381 OH TYR A 23 -26.521 -6.168 -21.330 1.00 33.10 O ATOM 0 H TYR A 23 -26.015 -4.893 -13.330 1.00 72.54 H new ATOM 0 HA TYR A 23 -24.327 -4.732 -15.584 1.00 4.35 H new ATOM 0 HB2 TYR A 23 -26.111 -6.420 -15.237 1.00 14.03 H new ATOM 0 HB3 TYR A 23 -27.331 -5.167 -15.355 1.00 14.03 H new ATOM 0 HD1 TYR A 23 -27.627 -3.944 -17.563 1.00 11.21 H new ATOM 0 HD2 TYR A 23 -25.166 -7.404 -17.207 1.00 62.05 H new ATOM 0 HE1 TYR A 23 -27.708 -4.250 -19.997 1.00 44.44 H new ATOM 0 HE2 TYR A 23 -25.241 -7.709 -19.642 1.00 43.32 H new ATOM 0 HH TYR A 23 -25.996 -6.958 -21.577 1.00 33.10 H new ATOM 391 N ARG A 24 -26.628 -2.384 -15.313 1.00 44.43 N ATOM 392 CA ARG A 24 -27.034 -1.076 -15.815 1.00 62.52 C ATOM 393 C ARG A 24 -26.273 0.039 -15.105 1.00 11.24 C ATOM 394 O ARG A 24 -26.632 1.211 -15.207 1.00 11.30 O ATOM 395 CB ARG A 24 -28.540 -0.880 -15.629 1.00 65.50 C ATOM 396 CG ARG A 24 -29.383 -1.672 -16.615 1.00 33.13 C ATOM 397 CD ARG A 24 -30.792 -1.897 -16.088 1.00 2.05 C ATOM 398 NE ARG A 24 -31.728 -2.236 -17.156 1.00 34.14 N ATOM 399 CZ ARG A 24 -32.275 -1.337 -17.967 1.00 22.23 C ATOM 400 NH1 ARG A 24 -31.979 -0.052 -17.832 1.00 51.34 N ATOM 401 NH2 ARG A 24 -33.118 -1.724 -18.915 1.00 55.31 N ATOM 0 H ARG A 24 -27.162 -2.712 -14.508 1.00 44.43 H new ATOM 0 HA ARG A 24 -26.798 -1.033 -16.878 1.00 62.52 H new ATOM 0 HB2 ARG A 24 -28.813 -1.171 -14.615 1.00 65.50 H new ATOM 0 HB3 ARG A 24 -28.775 0.179 -15.731 1.00 65.50 H new ATOM 0 HG2 ARG A 24 -29.429 -1.140 -17.565 1.00 33.13 H new ATOM 0 HG3 ARG A 24 -28.909 -2.634 -16.811 1.00 33.13 H new ATOM 0 HD2 ARG A 24 -30.779 -2.698 -15.349 1.00 2.05 H new ATOM 0 HD3 ARG A 24 -31.136 -0.998 -15.577 1.00 2.05 H new ATOM 0 HE ARG A 24 -31.976 -3.217 -17.287 1.00 34.14 H new ATOM 0 HH11 ARG A 24 -31.330 0.248 -17.104 1.00 51.34 H new ATOM 0 HH12 ARG A 24 -32.400 0.637 -18.456 1.00 51.34 H new ATOM 0 HH21 ARG A 24 -33.347 -2.712 -19.022 1.00 55.31 H new ATOM 0 HH22 ARG A 24 -33.538 -1.033 -19.537 1.00 55.31 H new ATOM 415 N ASN A 25 -25.221 -0.335 -14.384 1.00 42.10 N ATOM 416 CA ASN A 25 -24.410 0.634 -13.655 1.00 70.14 C ATOM 417 C ASN A 25 -23.101 0.908 -14.389 1.00 4.53 C ATOM 418 O ASN A 25 -22.628 2.044 -14.432 1.00 3.33 O ATOM 419 CB ASN A 25 -24.119 0.126 -12.242 1.00 10.03 C ATOM 420 CG ASN A 25 -25.302 0.302 -11.309 1.00 42.41 C ATOM 421 OD1 ASN A 25 -25.161 0.823 -10.202 1.00 75.51 O ATOM 422 ND2 ASN A 25 -26.475 -0.132 -11.754 1.00 14.43 N ATOM 0 H ASN A 25 -24.910 -1.302 -14.289 1.00 42.10 H new ATOM 0 HA ASN A 25 -24.972 1.566 -13.590 1.00 70.14 H new ATOM 0 HB2 ASN A 25 -23.849 -0.929 -12.287 1.00 10.03 H new ATOM 0 HB3 ASN A 25 -23.258 0.659 -11.837 1.00 10.03 H new ATOM 0 HD21 ASN A 25 -27.307 -0.040 -11.171 1.00 14.43 H new ATOM 0 HD22 ASN A 25 -26.544 -0.557 -12.679 1.00 14.43 H new ATOM 429 N ASP A 26 -22.521 -0.139 -14.964 1.00 43.14 N ATOM 430 CA ASP A 26 -21.267 -0.011 -15.698 1.00 23.12 C ATOM 431 C ASP A 26 -21.411 -0.548 -17.118 1.00 62.33 C ATOM 432 O ASP A 26 -21.893 -1.661 -17.325 1.00 21.44 O ATOM 433 CB ASP A 26 -20.147 -0.755 -14.969 1.00 62.30 C ATOM 434 CG ASP A 26 -19.331 0.158 -14.075 1.00 61.22 C ATOM 435 OD1 ASP A 26 -18.371 0.778 -14.579 1.00 33.10 O ATOM 436 OD2 ASP A 26 -19.651 0.252 -12.872 1.00 34.23 O ATOM 0 H ASP A 26 -22.899 -1.086 -14.936 1.00 43.14 H new ATOM 0 HA ASP A 26 -21.013 1.048 -15.754 1.00 23.12 H new ATOM 0 HB2 ASP A 26 -20.578 -1.556 -14.369 1.00 62.30 H new ATOM 0 HB3 ASP A 26 -19.490 -1.224 -15.701 1.00 62.30 H new ATOM 441 N GLU A 27 -20.990 0.251 -18.094 1.00 15.44 N ATOM 442 CA GLU A 27 -21.075 -0.144 -19.495 1.00 11.04 C ATOM 443 C GLU A 27 -20.182 -1.349 -19.775 1.00 21.13 C ATOM 444 O GLU A 27 -20.580 -2.282 -20.473 1.00 20.32 O ATOM 445 CB GLU A 27 -20.676 1.022 -20.402 1.00 13.04 C ATOM 446 CG GLU A 27 -19.294 1.578 -20.106 1.00 4.03 C ATOM 447 CD GLU A 27 -18.981 2.823 -20.912 1.00 44.25 C ATOM 448 OE1 GLU A 27 -18.715 2.692 -22.126 1.00 24.03 O ATOM 449 OE2 GLU A 27 -19.001 3.928 -20.331 1.00 52.13 O ATOM 0 H GLU A 27 -20.587 1.175 -17.940 1.00 15.44 H new ATOM 0 HA GLU A 27 -22.108 -0.422 -19.706 1.00 11.04 H new ATOM 0 HB2 GLU A 27 -20.711 0.692 -21.440 1.00 13.04 H new ATOM 0 HB3 GLU A 27 -21.410 1.821 -20.297 1.00 13.04 H new ATOM 0 HG2 GLU A 27 -19.220 1.809 -19.043 1.00 4.03 H new ATOM 0 HG3 GLU A 27 -18.546 0.814 -20.319 1.00 4.03 H new ATOM 456 N HIS A 28 -18.972 -1.322 -19.226 1.00 4.43 N ATOM 457 CA HIS A 28 -18.021 -2.411 -19.416 1.00 22.31 C ATOM 458 C HIS A 28 -18.601 -3.731 -18.917 1.00 62.53 C ATOM 459 O HIS A 28 -18.270 -4.800 -19.431 1.00 23.21 O ATOM 460 CB HIS A 28 -16.712 -2.108 -18.686 1.00 11.30 C ATOM 461 CG HIS A 28 -15.736 -1.324 -19.508 1.00 2.32 C ATOM 462 ND1 HIS A 28 -14.398 -1.219 -19.190 1.00 52.40 N ATOM 463 CD2 HIS A 28 -15.909 -0.606 -20.642 1.00 51.22 C ATOM 464 CE1 HIS A 28 -13.791 -0.468 -20.092 1.00 72.53 C ATOM 465 NE2 HIS A 28 -14.686 -0.084 -20.985 1.00 22.31 N ATOM 0 H HIS A 28 -18.627 -0.557 -18.646 1.00 4.43 H new ATOM 0 HA HIS A 28 -17.820 -2.502 -20.483 1.00 22.31 H new ATOM 0 HB2 HIS A 28 -16.934 -1.554 -17.774 1.00 11.30 H new ATOM 0 HB3 HIS A 28 -16.248 -3.047 -18.384 1.00 11.30 H new ATOM 0 HD2 HIS A 28 -16.837 -0.469 -21.178 1.00 51.22 H new ATOM 0 HE1 HIS A 28 -12.742 -0.212 -20.098 1.00 72.53 H new ATOM 0 HE2 HIS A 28 -14.499 0.504 -21.797 1.00 22.31 H new ATOM 474 N VAL A 29 -19.468 -3.650 -17.913 1.00 5.22 N ATOM 475 CA VAL A 29 -20.094 -4.838 -17.345 1.00 2.31 C ATOM 476 C VAL A 29 -21.123 -5.428 -18.303 1.00 2.43 C ATOM 477 O VAL A 29 -21.305 -6.644 -18.362 1.00 12.31 O ATOM 478 CB VAL A 29 -20.780 -4.523 -16.002 1.00 64.11 C ATOM 479 CG1 VAL A 29 -21.484 -5.757 -15.460 1.00 74.33 C ATOM 480 CG2 VAL A 29 -19.767 -3.994 -14.998 1.00 43.42 C ATOM 0 H VAL A 29 -19.753 -2.774 -17.476 1.00 5.22 H new ATOM 0 HA VAL A 29 -19.300 -5.565 -17.177 1.00 2.31 H new ATOM 0 HB VAL A 29 -21.530 -3.750 -16.169 1.00 64.11 H new ATOM 0 HG11 VAL A 29 -21.963 -5.515 -14.511 1.00 74.33 H new ATOM 0 HG12 VAL A 29 -22.239 -6.088 -16.173 1.00 74.33 H new ATOM 0 HG13 VAL A 29 -20.756 -6.553 -15.307 1.00 74.33 H new ATOM 0 HG21 VAL A 29 -20.269 -3.777 -14.055 1.00 43.42 H new ATOM 0 HG22 VAL A 29 -18.993 -4.743 -14.833 1.00 43.42 H new ATOM 0 HG23 VAL A 29 -19.312 -3.082 -15.386 1.00 43.42 H new ATOM 490 N ARG A 30 -21.793 -4.558 -19.052 1.00 2.14 N ATOM 491 CA ARG A 30 -22.805 -4.993 -20.007 1.00 4.40 C ATOM 492 C ARG A 30 -22.187 -5.869 -21.093 1.00 5.24 C ATOM 493 O ARG A 30 -22.632 -6.992 -21.328 1.00 22.34 O ATOM 494 CB ARG A 30 -23.490 -3.782 -20.643 1.00 11.33 C ATOM 495 CG ARG A 30 -24.337 -2.980 -19.668 1.00 4.32 C ATOM 496 CD ARG A 30 -25.452 -2.232 -20.382 1.00 64.33 C ATOM 497 NE ARG A 30 -24.934 -1.307 -21.387 1.00 73.41 N ATOM 498 CZ ARG A 30 -25.708 -0.596 -22.199 1.00 14.11 C ATOM 499 NH1 ARG A 30 -27.028 -0.702 -22.124 1.00 61.52 N ATOM 500 NH2 ARG A 30 -25.163 0.225 -23.088 1.00 21.35 N ATOM 0 H ARG A 30 -21.653 -3.548 -19.016 1.00 2.14 H new ATOM 0 HA ARG A 30 -23.548 -5.581 -19.468 1.00 4.40 H new ATOM 0 HB2 ARG A 30 -22.730 -3.130 -21.073 1.00 11.33 H new ATOM 0 HB3 ARG A 30 -24.120 -4.122 -21.465 1.00 11.33 H new ATOM 0 HG2 ARG A 30 -24.766 -3.649 -18.922 1.00 4.32 H new ATOM 0 HG3 ARG A 30 -23.705 -2.270 -19.134 1.00 4.32 H new ATOM 0 HD2 ARG A 30 -26.121 -2.948 -20.859 1.00 64.33 H new ATOM 0 HD3 ARG A 30 -26.044 -1.680 -19.652 1.00 64.33 H new ATOM 0 HE ARG A 30 -23.923 -1.201 -21.470 1.00 73.41 H new ATOM 0 HH11 ARG A 30 -27.451 -1.331 -21.441 1.00 61.52 H new ATOM 0 HH12 ARG A 30 -27.620 -0.155 -22.749 1.00 61.52 H new ATOM 0 HH21 ARG A 30 -24.148 0.311 -23.148 1.00 21.35 H new ATOM 0 HH22 ARG A 30 -25.759 0.770 -23.711 1.00 21.35 H new ATOM 514 N LYS A 31 -21.158 -5.347 -21.752 1.00 51.15 N ATOM 515 CA LYS A 31 -20.477 -6.080 -22.813 1.00 32.20 C ATOM 516 C LYS A 31 -19.863 -7.369 -22.276 1.00 3.34 C ATOM 517 O LYS A 31 -19.826 -8.386 -22.967 1.00 61.44 O ATOM 518 CB LYS A 31 -19.390 -5.209 -23.446 1.00 63.43 C ATOM 519 CG LYS A 31 -18.146 -5.068 -22.586 1.00 20.01 C ATOM 520 CD LYS A 31 -17.076 -4.245 -23.283 1.00 50.05 C ATOM 521 CE LYS A 31 -15.766 -4.266 -22.512 1.00 5.54 C ATOM 522 NZ LYS A 31 -14.970 -5.491 -22.801 1.00 54.12 N ATOM 0 H LYS A 31 -20.777 -4.418 -21.570 1.00 51.15 H new ATOM 0 HA LYS A 31 -21.214 -6.339 -23.573 1.00 32.20 H new ATOM 0 HB2 LYS A 31 -19.109 -5.636 -24.409 1.00 63.43 H new ATOM 0 HB3 LYS A 31 -19.799 -4.218 -23.643 1.00 63.43 H new ATOM 0 HG2 LYS A 31 -18.409 -4.597 -21.639 1.00 20.01 H new ATOM 0 HG3 LYS A 31 -17.751 -6.056 -22.352 1.00 20.01 H new ATOM 0 HD2 LYS A 31 -16.914 -4.634 -24.288 1.00 50.05 H new ATOM 0 HD3 LYS A 31 -17.419 -3.216 -23.391 1.00 50.05 H new ATOM 0 HE2 LYS A 31 -15.180 -3.384 -22.768 1.00 5.54 H new ATOM 0 HE3 LYS A 31 -15.973 -4.212 -21.443 1.00 5.54 H new ATOM 0 HZ1 LYS A 31 -14.085 -5.466 -22.256 1.00 54.12 H new ATOM 0 HZ2 LYS A 31 -15.519 -6.333 -22.533 1.00 54.12 H new ATOM 0 HZ3 LYS A 31 -14.750 -5.530 -23.817 1.00 54.12 H new ATOM 536 N VAL A 32 -19.382 -7.318 -21.037 1.00 73.41 N ATOM 537 CA VAL A 32 -18.772 -8.482 -20.406 1.00 61.40 C ATOM 538 C VAL A 32 -19.813 -9.555 -20.109 1.00 31.55 C ATOM 539 O VAL A 32 -19.666 -10.708 -20.515 1.00 71.23 O ATOM 540 CB VAL A 32 -18.056 -8.100 -19.097 1.00 31.21 C ATOM 541 CG1 VAL A 32 -17.689 -9.346 -18.305 1.00 73.23 C ATOM 542 CG2 VAL A 32 -16.821 -7.262 -19.391 1.00 22.34 C ATOM 0 H VAL A 32 -19.403 -6.483 -20.451 1.00 73.41 H new ATOM 0 HA VAL A 32 -18.039 -8.876 -21.110 1.00 61.40 H new ATOM 0 HB VAL A 32 -18.737 -7.502 -18.492 1.00 31.21 H new ATOM 0 HG11 VAL A 32 -17.184 -9.056 -17.384 1.00 73.23 H new ATOM 0 HG12 VAL A 32 -18.594 -9.903 -18.063 1.00 73.23 H new ATOM 0 HG13 VAL A 32 -17.025 -9.973 -18.900 1.00 73.23 H new ATOM 0 HG21 VAL A 32 -16.327 -7.001 -18.455 1.00 22.34 H new ATOM 0 HG22 VAL A 32 -16.135 -7.833 -20.017 1.00 22.34 H new ATOM 0 HG23 VAL A 32 -17.115 -6.351 -19.912 1.00 22.34 H new ATOM 552 N PHE A 33 -20.866 -9.169 -19.396 1.00 54.24 N ATOM 553 CA PHE A 33 -21.933 -10.098 -19.043 1.00 74.04 C ATOM 554 C PHE A 33 -22.691 -10.555 -20.287 1.00 45.31 C ATOM 555 O PHE A 33 -23.289 -11.630 -20.302 1.00 72.44 O ATOM 556 CB PHE A 33 -22.901 -9.445 -18.055 1.00 12.43 C ATOM 557 CG PHE A 33 -23.342 -10.363 -16.951 1.00 62.31 C ATOM 558 CD1 PHE A 33 -22.527 -10.589 -15.853 1.00 14.20 C ATOM 559 CD2 PHE A 33 -24.570 -11.001 -17.012 1.00 33.04 C ATOM 560 CE1 PHE A 33 -22.930 -11.434 -14.837 1.00 32.34 C ATOM 561 CE2 PHE A 33 -24.979 -11.847 -15.998 1.00 23.41 C ATOM 562 CZ PHE A 33 -24.158 -12.063 -14.909 1.00 22.45 C ATOM 0 H PHE A 33 -21.003 -8.219 -19.051 1.00 54.24 H new ATOM 0 HA PHE A 33 -21.479 -10.971 -18.574 1.00 74.04 H new ATOM 0 HB2 PHE A 33 -22.424 -8.567 -17.618 1.00 12.43 H new ATOM 0 HB3 PHE A 33 -23.779 -9.094 -18.597 1.00 12.43 H new ATOM 0 HD1 PHE A 33 -21.566 -10.099 -15.791 1.00 14.20 H new ATOM 0 HD2 PHE A 33 -25.216 -10.836 -17.862 1.00 33.04 H new ATOM 0 HE1 PHE A 33 -22.285 -11.603 -13.987 1.00 32.34 H new ATOM 0 HE2 PHE A 33 -25.939 -12.338 -16.058 1.00 23.41 H new ATOM 0 HZ PHE A 33 -24.475 -12.723 -14.115 1.00 22.45 H new ATOM 572 N ASP A 34 -22.660 -9.729 -21.327 1.00 65.24 N ATOM 573 CA ASP A 34 -23.342 -10.047 -22.576 1.00 61.14 C ATOM 574 C ASP A 34 -22.654 -11.206 -23.291 1.00 73.04 C ATOM 575 O ASP A 34 -23.307 -12.155 -23.724 1.00 31.21 O ATOM 576 CB ASP A 34 -23.380 -8.820 -23.488 1.00 53.31 C ATOM 577 CG ASP A 34 -23.995 -9.122 -24.841 1.00 21.24 C ATOM 578 OD1 ASP A 34 -23.280 -9.664 -25.709 1.00 22.22 O ATOM 579 OD2 ASP A 34 -25.191 -8.816 -25.031 1.00 62.11 O ATOM 0 H ASP A 34 -22.170 -8.834 -21.330 1.00 65.24 H new ATOM 0 HA ASP A 34 -24.363 -10.345 -22.338 1.00 61.14 H new ATOM 0 HB2 ASP A 34 -23.949 -8.028 -23.002 1.00 53.31 H new ATOM 0 HB3 ASP A 34 -22.367 -8.444 -23.629 1.00 53.31 H new ATOM 584 N GLU A 35 -21.333 -11.120 -23.412 1.00 72.05 N ATOM 585 CA GLU A 35 -20.558 -12.161 -24.077 1.00 73.22 C ATOM 586 C GLU A 35 -20.606 -13.465 -23.285 1.00 13.40 C ATOM 587 O GLU A 35 -20.687 -14.550 -23.861 1.00 24.25 O ATOM 588 CB GLU A 35 -19.106 -11.712 -24.255 1.00 33.55 C ATOM 589 CG GLU A 35 -18.917 -10.684 -25.357 1.00 34.01 C ATOM 590 CD GLU A 35 -17.461 -10.494 -25.734 1.00 40.11 C ATOM 591 OE1 GLU A 35 -16.590 -10.720 -24.868 1.00 12.33 O ATOM 592 OE2 GLU A 35 -17.192 -10.119 -26.894 1.00 70.34 O ATOM 0 H GLU A 35 -20.778 -10.341 -23.059 1.00 72.05 H new ATOM 0 HA GLU A 35 -20.999 -12.336 -25.058 1.00 73.22 H new ATOM 0 HB2 GLU A 35 -18.746 -11.294 -23.315 1.00 33.55 H new ATOM 0 HB3 GLU A 35 -18.489 -12.584 -24.473 1.00 33.55 H new ATOM 0 HG2 GLU A 35 -19.479 -10.994 -26.238 1.00 34.01 H new ATOM 0 HG3 GLU A 35 -19.332 -9.730 -25.033 1.00 34.01 H new ATOM 599 N ILE A 36 -20.556 -13.348 -21.962 1.00 62.24 N ATOM 600 CA ILE A 36 -20.594 -14.516 -21.091 1.00 61.33 C ATOM 601 C ILE A 36 -21.973 -15.168 -21.105 1.00 44.41 C ATOM 602 O ILE A 36 -22.097 -16.383 -20.954 1.00 2.43 O ATOM 603 CB ILE A 36 -20.226 -14.150 -19.641 1.00 53.53 C ATOM 604 CG1 ILE A 36 -18.829 -13.528 -19.588 1.00 31.11 C ATOM 605 CG2 ILE A 36 -20.299 -15.380 -18.749 1.00 53.41 C ATOM 606 CD1 ILE A 36 -18.559 -12.757 -18.315 1.00 30.01 C ATOM 0 H ILE A 36 -20.489 -12.457 -21.470 1.00 62.24 H new ATOM 0 HA ILE A 36 -19.858 -15.221 -21.477 1.00 61.33 H new ATOM 0 HB ILE A 36 -20.944 -13.417 -19.274 1.00 53.53 H new ATOM 0 HG12 ILE A 36 -18.084 -14.318 -19.690 1.00 31.11 H new ATOM 0 HG13 ILE A 36 -18.705 -12.861 -20.441 1.00 31.11 H new ATOM 0 HG21 ILE A 36 -20.036 -15.105 -17.728 1.00 53.41 H new ATOM 0 HG22 ILE A 36 -21.312 -15.783 -18.767 1.00 53.41 H new ATOM 0 HG23 ILE A 36 -19.602 -16.135 -19.112 1.00 53.41 H new ATOM 0 HD11 ILE A 36 -17.551 -12.344 -18.347 1.00 30.01 H new ATOM 0 HD12 ILE A 36 -19.281 -11.946 -18.221 1.00 30.01 H new ATOM 0 HD13 ILE A 36 -18.651 -13.425 -17.459 1.00 30.01 H new ATOM 618 N GLN A 37 -23.005 -14.351 -21.289 1.00 60.04 N ATOM 619 CA GLN A 37 -24.375 -14.849 -21.324 1.00 51.53 C ATOM 620 C GLN A 37 -24.635 -15.638 -22.603 1.00 52.11 C ATOM 621 O GLN A 37 -25.347 -16.642 -22.589 1.00 42.12 O ATOM 622 CB GLN A 37 -25.365 -13.687 -21.218 1.00 3.03 C ATOM 623 CG GLN A 37 -25.714 -13.315 -19.786 1.00 13.02 C ATOM 624 CD GLN A 37 -26.513 -12.030 -19.695 1.00 41.41 C ATOM 625 OE1 GLN A 37 -27.619 -12.009 -19.155 1.00 33.40 O ATOM 626 NE2 GLN A 37 -25.955 -10.947 -20.225 1.00 20.15 N ATOM 0 H GLN A 37 -22.919 -13.343 -21.416 1.00 60.04 H new ATOM 0 HA GLN A 37 -24.514 -15.515 -20.473 1.00 51.53 H new ATOM 0 HB2 GLN A 37 -24.944 -12.815 -21.719 1.00 3.03 H new ATOM 0 HB3 GLN A 37 -26.280 -13.950 -21.750 1.00 3.03 H new ATOM 0 HG2 GLN A 37 -26.284 -14.126 -19.333 1.00 13.02 H new ATOM 0 HG3 GLN A 37 -24.796 -13.209 -19.208 1.00 13.02 H new ATOM 0 HE21 GLN A 37 -25.036 -11.009 -20.663 1.00 20.15 H new ATOM 0 HE22 GLN A 37 -26.446 -10.053 -20.194 1.00 20.15 H new ATOM 635 N GLN A 38 -24.054 -15.177 -23.706 1.00 12.31 N ATOM 636 CA GLN A 38 -24.225 -15.840 -24.993 1.00 42.12 C ATOM 637 C GLN A 38 -23.349 -17.085 -25.085 1.00 4.25 C ATOM 638 O GLN A 38 -23.836 -18.182 -25.359 1.00 0.40 O ATOM 639 CB GLN A 38 -23.887 -14.879 -26.134 1.00 62.15 C ATOM 640 CG GLN A 38 -24.952 -13.821 -26.375 1.00 23.15 C ATOM 641 CD GLN A 38 -26.136 -14.352 -27.158 1.00 64.05 C ATOM 642 OE1 GLN A 38 -26.236 -14.146 -28.368 1.00 73.44 O ATOM 643 NE2 GLN A 38 -27.040 -15.040 -26.472 1.00 13.03 N ATOM 0 H GLN A 38 -23.461 -14.347 -23.734 1.00 12.31 H new ATOM 0 HA GLN A 38 -25.268 -16.145 -25.080 1.00 42.12 H new ATOM 0 HB2 GLN A 38 -22.940 -14.386 -25.914 1.00 62.15 H new ATOM 0 HB3 GLN A 38 -23.743 -15.452 -27.050 1.00 62.15 H new ATOM 0 HG2 GLN A 38 -25.299 -13.435 -25.416 1.00 23.15 H new ATOM 0 HG3 GLN A 38 -24.511 -12.983 -26.915 1.00 23.15 H new ATOM 0 HE21 GLN A 38 -26.917 -15.187 -25.470 1.00 13.03 H new ATOM 0 HE22 GLN A 38 -27.858 -15.422 -26.947 1.00 13.03 H new ATOM 652 N LYS A 39 -22.052 -16.908 -24.853 1.00 72.01 N ATOM 653 CA LYS A 39 -21.107 -18.017 -24.908 1.00 45.50 C ATOM 654 C LYS A 39 -21.521 -19.133 -23.955 1.00 1.12 C ATOM 655 O LYS A 39 -21.327 -20.314 -24.244 1.00 64.33 O ATOM 656 CB LYS A 39 -19.698 -17.530 -24.559 1.00 71.10 C ATOM 657 CG LYS A 39 -19.478 -17.321 -23.071 1.00 13.22 C ATOM 658 CD LYS A 39 -18.157 -16.622 -22.795 1.00 74.11 C ATOM 659 CE LYS A 39 -16.975 -17.543 -23.053 1.00 70.41 C ATOM 660 NZ LYS A 39 -16.545 -17.508 -24.478 1.00 42.23 N ATOM 0 H LYS A 39 -21.632 -16.007 -24.625 1.00 72.01 H new ATOM 0 HA LYS A 39 -21.108 -18.412 -25.924 1.00 45.50 H new ATOM 0 HB2 LYS A 39 -18.971 -18.254 -24.927 1.00 71.10 H new ATOM 0 HB3 LYS A 39 -19.507 -16.593 -25.081 1.00 71.10 H new ATOM 0 HG2 LYS A 39 -20.296 -16.729 -22.661 1.00 13.22 H new ATOM 0 HG3 LYS A 39 -19.494 -18.284 -22.561 1.00 13.22 H new ATOM 0 HD2 LYS A 39 -18.074 -15.737 -23.425 1.00 74.11 H new ATOM 0 HD3 LYS A 39 -18.134 -16.280 -21.760 1.00 74.11 H new ATOM 0 HE2 LYS A 39 -16.141 -17.251 -22.415 1.00 70.41 H new ATOM 0 HE3 LYS A 39 -17.243 -18.563 -22.780 1.00 70.41 H new ATOM 0 HZ1 LYS A 39 -16.657 -18.453 -24.898 1.00 42.23 H new ATOM 0 HZ2 LYS A 39 -17.130 -16.825 -25.001 1.00 42.23 H new ATOM 0 HZ3 LYS A 39 -15.547 -17.221 -24.532 1.00 42.23 H new ATOM 674 N LEU A 40 -22.094 -18.752 -22.818 1.00 63.04 N ATOM 675 CA LEU A 40 -22.537 -19.722 -21.823 1.00 14.53 C ATOM 676 C LEU A 40 -24.030 -20.004 -21.965 1.00 3.43 C ATOM 677 O LEU A 40 -24.574 -20.878 -21.290 1.00 21.22 O ATOM 678 CB LEU A 40 -22.235 -19.209 -20.413 1.00 74.34 C ATOM 679 CG LEU A 40 -21.807 -20.265 -19.393 1.00 43.42 C ATOM 680 CD1 LEU A 40 -20.471 -20.875 -19.786 1.00 63.54 C ATOM 681 CD2 LEU A 40 -21.729 -19.658 -18.000 1.00 23.54 C ATOM 0 H LEU A 40 -22.262 -17.779 -22.563 1.00 63.04 H new ATOM 0 HA LEU A 40 -21.993 -20.652 -21.989 1.00 14.53 H new ATOM 0 HB2 LEU A 40 -21.447 -18.459 -20.482 1.00 74.34 H new ATOM 0 HB3 LEU A 40 -23.124 -18.705 -20.033 1.00 74.34 H new ATOM 0 HG LEU A 40 -22.555 -21.057 -19.382 1.00 43.42 H new ATOM 0 HD11 LEU A 40 -20.182 -21.624 -19.049 1.00 63.54 H new ATOM 0 HD12 LEU A 40 -20.560 -21.345 -20.765 1.00 63.54 H new ATOM 0 HD13 LEU A 40 -19.712 -20.094 -19.826 1.00 63.54 H new ATOM 0 HD21 LEU A 40 -21.423 -20.423 -17.286 1.00 23.54 H new ATOM 0 HD22 LEU A 40 -21.001 -18.847 -17.997 1.00 23.54 H new ATOM 0 HD23 LEU A 40 -22.707 -19.269 -17.717 1.00 23.54 H new ATOM 693 N HIS A 41 -24.686 -19.259 -22.848 1.00 52.45 N ATOM 694 CA HIS A 41 -26.116 -19.431 -23.081 1.00 43.44 C ATOM 695 C HIS A 41 -26.888 -19.399 -21.766 1.00 71.30 C ATOM 696 O HIS A 41 -27.713 -20.273 -21.498 1.00 13.04 O ATOM 697 CB HIS A 41 -26.380 -20.748 -23.810 1.00 73.34 C ATOM 698 CG HIS A 41 -25.630 -20.881 -25.100 1.00 3.33 C ATOM 699 ND1 HIS A 41 -26.243 -20.850 -26.334 1.00 72.52 N ATOM 700 CD2 HIS A 41 -24.308 -21.043 -25.342 1.00 1.20 C ATOM 701 CE1 HIS A 41 -25.332 -20.990 -27.280 1.00 65.10 C ATOM 702 NE2 HIS A 41 -24.149 -21.108 -26.704 1.00 64.33 N ATOM 0 H HIS A 41 -24.251 -18.531 -23.414 1.00 52.45 H new ATOM 0 HA HIS A 41 -26.460 -18.605 -23.704 1.00 43.44 H new ATOM 0 HB2 HIS A 41 -26.110 -21.576 -23.155 1.00 73.34 H new ATOM 0 HB3 HIS A 41 -27.448 -20.835 -24.010 1.00 73.34 H new ATOM 0 HD2 HIS A 41 -23.524 -21.109 -24.602 1.00 1.20 H new ATOM 0 HE1 HIS A 41 -25.522 -21.005 -28.343 1.00 65.10 H new ATOM 0 HE2 HIS A 41 -23.261 -21.228 -27.192 1.00 64.33 H new ATOM 711 N CYS A 42 -26.615 -18.388 -20.949 1.00 5.13 N ATOM 712 CA CYS A 42 -27.282 -18.243 -19.661 1.00 10.22 C ATOM 713 C CYS A 42 -27.865 -16.841 -19.505 1.00 73.24 C ATOM 714 O CYS A 42 -27.493 -15.918 -20.230 1.00 55.04 O ATOM 715 CB CYS A 42 -26.303 -18.529 -18.520 1.00 72.03 C ATOM 716 SG CYS A 42 -24.921 -17.347 -18.412 1.00 71.25 S ATOM 0 H CYS A 42 -25.936 -17.656 -21.156 1.00 5.13 H new ATOM 0 HA CYS A 42 -28.098 -18.964 -19.620 1.00 10.22 H new ATOM 0 HB2 CYS A 42 -26.849 -18.521 -17.577 1.00 72.03 H new ATOM 0 HB3 CYS A 42 -25.899 -19.534 -18.645 1.00 72.03 H new ATOM 721 N CYS A 43 -28.781 -16.690 -18.555 1.00 14.22 N ATOM 722 CA CYS A 43 -29.417 -15.402 -18.303 1.00 32.31 C ATOM 723 C CYS A 43 -29.222 -14.974 -16.851 1.00 42.14 C ATOM 724 O CYS A 43 -29.465 -15.748 -15.927 1.00 2.25 O ATOM 725 CB CYS A 43 -30.910 -15.475 -18.628 1.00 54.01 C ATOM 726 SG CYS A 43 -31.701 -13.850 -18.857 1.00 73.05 S ATOM 0 H CYS A 43 -29.100 -17.444 -17.946 1.00 14.22 H new ATOM 0 HA CYS A 43 -28.947 -14.660 -18.949 1.00 32.31 H new ATOM 0 HB2 CYS A 43 -31.045 -16.064 -19.535 1.00 54.01 H new ATOM 0 HB3 CYS A 43 -31.420 -16.006 -17.824 1.00 54.01 H new ATOM 731 N GLY A 44 -28.781 -13.734 -16.660 1.00 62.11 N ATOM 732 CA GLY A 44 -28.560 -13.224 -15.320 1.00 13.33 C ATOM 733 C GLY A 44 -27.523 -14.024 -14.558 1.00 24.20 C ATOM 734 O GLY A 44 -27.139 -15.115 -14.979 1.00 4.21 O ATOM 0 H GLY A 44 -28.573 -13.074 -17.409 1.00 62.11 H new ATOM 0 HA2 GLY A 44 -28.240 -12.184 -15.379 1.00 13.33 H new ATOM 0 HA3 GLY A 44 -29.501 -13.238 -14.770 1.00 13.33 H new ATOM 738 N ALA A 45 -27.066 -13.481 -13.434 1.00 53.12 N ATOM 739 CA ALA A 45 -26.067 -14.152 -12.612 1.00 51.11 C ATOM 740 C ALA A 45 -26.606 -15.465 -12.056 1.00 31.43 C ATOM 741 O ALA A 45 -26.141 -16.544 -12.424 1.00 62.02 O ATOM 742 CB ALA A 45 -25.618 -13.241 -11.479 1.00 21.20 C ATOM 0 H ALA A 45 -27.372 -12.578 -13.072 1.00 53.12 H new ATOM 0 HA ALA A 45 -25.207 -14.381 -13.242 1.00 51.11 H new ATOM 0 HB1 ALA A 45 -24.872 -13.755 -10.873 1.00 21.20 H new ATOM 0 HB2 ALA A 45 -25.185 -12.331 -11.894 1.00 21.20 H new ATOM 0 HB3 ALA A 45 -26.476 -12.984 -10.857 1.00 21.20 H new ATOM 748 N ASP A 46 -27.588 -15.367 -11.167 1.00 33.12 N ATOM 749 CA ASP A 46 -28.191 -16.548 -10.560 1.00 20.15 C ATOM 750 C ASP A 46 -29.523 -16.881 -11.224 1.00 71.02 C ATOM 751 O ASP A 46 -29.956 -18.033 -11.227 1.00 63.42 O ATOM 752 CB ASP A 46 -28.396 -16.328 -9.060 1.00 21.42 C ATOM 753 CG ASP A 46 -28.850 -14.918 -8.738 1.00 21.20 C ATOM 754 OD1 ASP A 46 -28.017 -13.992 -8.827 1.00 22.43 O ATOM 755 OD2 ASP A 46 -30.038 -14.740 -8.397 1.00 32.44 O ATOM 0 H ASP A 46 -27.984 -14.482 -10.850 1.00 33.12 H new ATOM 0 HA ASP A 46 -27.512 -17.388 -10.707 1.00 20.15 H new ATOM 0 HB2 ASP A 46 -29.135 -17.038 -8.689 1.00 21.42 H new ATOM 0 HB3 ASP A 46 -27.464 -16.535 -8.535 1.00 21.42 H new ATOM 760 N SER A 47 -30.169 -15.864 -11.785 1.00 52.04 N ATOM 761 CA SER A 47 -31.455 -16.048 -12.449 1.00 4.31 C ATOM 762 C SER A 47 -31.780 -14.855 -13.343 1.00 11.34 C ATOM 763 O SER A 47 -31.209 -13.772 -13.209 1.00 33.14 O ATOM 764 CB SER A 47 -32.564 -16.241 -11.413 1.00 60.12 C ATOM 765 OG SER A 47 -32.782 -17.616 -11.150 1.00 71.45 O ATOM 0 H SER A 47 -29.824 -14.904 -11.793 1.00 52.04 H new ATOM 0 HA SER A 47 -31.391 -16.940 -13.072 1.00 4.31 H new ATOM 0 HB2 SER A 47 -32.296 -15.729 -10.489 1.00 60.12 H new ATOM 0 HB3 SER A 47 -33.486 -15.786 -11.774 1.00 60.12 H new ATOM 0 HG SER A 47 -31.921 -18.083 -11.113 1.00 71.45 H new ATOM 771 N PRO A 48 -32.720 -15.056 -14.278 1.00 34.24 N ATOM 772 CA PRO A 48 -33.144 -14.009 -15.212 1.00 75.42 C ATOM 773 C PRO A 48 -33.930 -12.899 -14.522 1.00 25.31 C ATOM 774 O PRO A 48 -33.993 -11.772 -15.013 1.00 15.03 O ATOM 775 CB PRO A 48 -34.038 -14.759 -16.203 1.00 60.52 C ATOM 776 CG PRO A 48 -34.545 -15.935 -15.442 1.00 25.43 C ATOM 777 CD PRO A 48 -33.442 -16.321 -14.494 1.00 74.12 C ATOM 0 HA PRO A 48 -32.294 -13.509 -15.676 1.00 75.42 H new ATOM 0 HB2 PRO A 48 -34.857 -14.130 -16.551 1.00 60.52 H new ATOM 0 HB3 PRO A 48 -33.478 -15.070 -17.085 1.00 60.52 H new ATOM 0 HG2 PRO A 48 -35.457 -15.685 -14.899 1.00 25.43 H new ATOM 0 HG3 PRO A 48 -34.789 -16.759 -16.113 1.00 25.43 H new ATOM 0 HD2 PRO A 48 -33.836 -16.723 -13.561 1.00 74.12 H new ATOM 0 HD3 PRO A 48 -32.794 -17.086 -14.922 1.00 74.12 H new ATOM 785 N LYS A 49 -34.526 -13.225 -13.380 1.00 1.20 N ATOM 786 CA LYS A 49 -35.306 -12.255 -12.620 1.00 61.21 C ATOM 787 C LYS A 49 -34.417 -11.131 -12.099 1.00 0.34 C ATOM 788 O LYS A 49 -34.900 -10.047 -11.770 1.00 4.21 O ATOM 789 CB LYS A 49 -36.014 -12.943 -11.451 1.00 73.41 C ATOM 790 CG LYS A 49 -35.064 -13.601 -10.466 1.00 4.22 C ATOM 791 CD LYS A 49 -34.727 -12.672 -9.311 1.00 35.20 C ATOM 792 CE LYS A 49 -35.741 -12.795 -8.184 1.00 31.13 C ATOM 793 NZ LYS A 49 -35.803 -11.559 -7.356 1.00 2.30 N ATOM 0 H LYS A 49 -34.484 -14.154 -12.960 1.00 1.20 H new ATOM 0 HA LYS A 49 -36.053 -11.824 -13.287 1.00 61.21 H new ATOM 0 HB2 LYS A 49 -36.621 -12.208 -10.922 1.00 73.41 H new ATOM 0 HB3 LYS A 49 -36.696 -13.697 -11.844 1.00 73.41 H new ATOM 0 HG2 LYS A 49 -35.515 -14.515 -10.079 1.00 4.22 H new ATOM 0 HG3 LYS A 49 -34.148 -13.890 -10.981 1.00 4.22 H new ATOM 0 HD2 LYS A 49 -33.731 -12.905 -8.933 1.00 35.20 H new ATOM 0 HD3 LYS A 49 -34.700 -11.642 -9.667 1.00 35.20 H new ATOM 0 HE2 LYS A 49 -36.726 -13.001 -8.603 1.00 31.13 H new ATOM 0 HE3 LYS A 49 -35.480 -13.643 -7.551 1.00 31.13 H new ATOM 0 HZ1 LYS A 49 -36.505 -11.683 -6.599 1.00 2.30 H new ATOM 0 HZ2 LYS A 49 -34.870 -11.376 -6.936 1.00 2.30 H new ATOM 0 HZ3 LYS A 49 -36.077 -10.754 -7.954 1.00 2.30 H new ATOM 807 N ASP A 50 -33.117 -11.395 -12.027 1.00 32.22 N ATOM 808 CA ASP A 50 -32.160 -10.404 -11.548 1.00 35.33 C ATOM 809 C ASP A 50 -32.252 -9.121 -12.367 1.00 3.42 C ATOM 810 O ASP A 50 -31.890 -8.043 -11.893 1.00 63.24 O ATOM 811 CB ASP A 50 -30.739 -10.964 -11.611 1.00 63.52 C ATOM 812 CG ASP A 50 -30.497 -12.049 -10.580 1.00 74.52 C ATOM 813 OD1 ASP A 50 -30.891 -11.855 -9.411 1.00 52.15 O ATOM 814 OD2 ASP A 50 -29.914 -13.093 -10.942 1.00 2.11 O ATOM 0 H ASP A 50 -32.701 -12.287 -12.294 1.00 32.22 H new ATOM 0 HA ASP A 50 -32.404 -10.170 -10.512 1.00 35.33 H new ATOM 0 HB2 ASP A 50 -30.554 -11.366 -12.607 1.00 63.52 H new ATOM 0 HB3 ASP A 50 -30.026 -10.155 -11.456 1.00 63.52 H new ATOM 819 N TYR A 51 -32.736 -9.243 -13.597 1.00 75.43 N ATOM 820 CA TYR A 51 -32.872 -8.094 -14.484 1.00 1.43 C ATOM 821 C TYR A 51 -34.250 -7.454 -14.340 1.00 64.20 C ATOM 822 O TYR A 51 -34.440 -6.282 -14.663 1.00 24.42 O ATOM 823 CB TYR A 51 -32.641 -8.513 -15.936 1.00 71.15 C ATOM 824 CG TYR A 51 -31.197 -8.832 -16.252 1.00 73.34 C ATOM 825 CD1 TYR A 51 -30.193 -7.899 -16.026 1.00 72.13 C ATOM 826 CD2 TYR A 51 -30.837 -10.068 -16.776 1.00 53.13 C ATOM 827 CE1 TYR A 51 -28.873 -8.186 -16.314 1.00 70.43 C ATOM 828 CE2 TYR A 51 -29.519 -10.364 -17.066 1.00 35.50 C ATOM 829 CZ TYR A 51 -28.541 -9.420 -16.834 1.00 32.33 C ATOM 830 OH TYR A 51 -27.227 -9.711 -17.121 1.00 11.24 O ATOM 0 H TYR A 51 -33.041 -10.127 -14.003 1.00 75.43 H new ATOM 0 HA TYR A 51 -32.119 -7.359 -14.201 1.00 1.43 H new ATOM 0 HB2 TYR A 51 -33.254 -9.387 -16.155 1.00 71.15 H new ATOM 0 HB3 TYR A 51 -32.980 -7.713 -16.594 1.00 71.15 H new ATOM 0 HD1 TYR A 51 -30.449 -6.932 -15.618 1.00 72.13 H new ATOM 0 HD2 TYR A 51 -31.600 -10.810 -16.960 1.00 53.13 H new ATOM 0 HE1 TYR A 51 -28.105 -7.449 -16.133 1.00 70.43 H new ATOM 0 HE2 TYR A 51 -29.256 -11.330 -17.472 1.00 35.50 H new ATOM 0 HH TYR A 51 -26.923 -10.448 -16.551 1.00 11.24 H new ATOM 840 N GLY A 52 -35.209 -8.235 -13.852 1.00 11.42 N ATOM 841 CA GLY A 52 -36.557 -7.729 -13.673 1.00 15.34 C ATOM 842 C GLY A 52 -37.534 -8.316 -14.672 1.00 55.50 C ATOM 843 O GLY A 52 -38.031 -9.425 -14.485 1.00 34.53 O ATOM 0 H GLY A 52 -35.076 -9.208 -13.578 1.00 11.42 H new ATOM 0 HA2 GLY A 52 -36.896 -7.956 -12.662 1.00 15.34 H new ATOM 0 HA3 GLY A 52 -36.550 -6.643 -13.771 1.00 15.34 H new ATOM 847 N GLU A 53 -37.811 -7.568 -15.736 1.00 15.34 N ATOM 848 CA GLU A 53 -38.738 -8.021 -16.767 1.00 0.54 C ATOM 849 C GLU A 53 -38.255 -7.605 -18.153 1.00 43.30 C ATOM 850 O GLU A 53 -39.042 -7.512 -19.094 1.00 64.01 O ATOM 851 CB GLU A 53 -40.136 -7.455 -16.511 1.00 14.40 C ATOM 852 CG GLU A 53 -40.266 -5.978 -16.844 1.00 43.22 C ATOM 853 CD GLU A 53 -41.300 -5.275 -15.987 1.00 52.30 C ATOM 854 OE1 GLU A 53 -42.493 -5.303 -16.356 1.00 12.54 O ATOM 855 OE2 GLU A 53 -40.917 -4.697 -14.948 1.00 54.25 O ATOM 0 H GLU A 53 -37.407 -6.647 -15.906 1.00 15.34 H new ATOM 0 HA GLU A 53 -38.782 -9.109 -16.728 1.00 0.54 H new ATOM 0 HB2 GLU A 53 -40.860 -8.017 -17.101 1.00 14.40 H new ATOM 0 HB3 GLU A 53 -40.394 -7.606 -15.463 1.00 14.40 H new ATOM 0 HG2 GLU A 53 -39.299 -5.493 -16.711 1.00 43.22 H new ATOM 0 HG3 GLU A 53 -40.535 -5.869 -17.895 1.00 43.22 H new ATOM 862 N ASN A 54 -36.955 -7.355 -18.270 1.00 25.12 N ATOM 863 CA ASN A 54 -36.365 -6.948 -19.540 1.00 55.13 C ATOM 864 C ASN A 54 -34.867 -7.231 -19.561 1.00 25.34 C ATOM 865 O ASN A 54 -34.037 -6.330 -19.438 1.00 13.54 O ATOM 866 CB ASN A 54 -36.618 -5.460 -19.790 1.00 1.44 C ATOM 867 CG ASN A 54 -38.029 -5.186 -20.274 1.00 3.42 C ATOM 868 OD1 ASN A 54 -38.332 -5.340 -21.457 1.00 21.11 O ATOM 869 ND2 ASN A 54 -38.899 -4.776 -19.358 1.00 72.32 N ATOM 0 H ASN A 54 -36.290 -7.427 -17.500 1.00 25.12 H new ATOM 0 HA ASN A 54 -36.837 -7.529 -20.333 1.00 55.13 H new ATOM 0 HB2 ASN A 54 -36.438 -4.904 -18.870 1.00 1.44 H new ATOM 0 HB3 ASN A 54 -35.906 -5.092 -20.529 1.00 1.44 H new ATOM 0 HD21 ASN A 54 -39.863 -4.575 -19.624 1.00 72.32 H new ATOM 0 HD22 ASN A 54 -38.603 -4.662 -18.388 1.00 72.32 H new ATOM 876 N PRO A 55 -34.509 -8.514 -19.720 1.00 60.22 N ATOM 877 CA PRO A 55 -33.109 -8.946 -19.762 1.00 21.53 C ATOM 878 C PRO A 55 -32.398 -8.489 -21.031 1.00 12.53 C ATOM 879 O PRO A 55 -33.021 -8.032 -21.989 1.00 51.34 O ATOM 880 CB PRO A 55 -33.208 -10.474 -19.726 1.00 1.43 C ATOM 881 CG PRO A 55 -34.553 -10.779 -20.288 1.00 71.33 C ATOM 882 CD PRO A 55 -35.444 -9.641 -19.873 1.00 31.41 C ATOM 0 HA PRO A 55 -32.528 -8.523 -18.943 1.00 21.53 H new ATOM 0 HB2 PRO A 55 -32.418 -10.936 -20.317 1.00 1.43 H new ATOM 0 HB3 PRO A 55 -33.108 -10.853 -18.709 1.00 1.43 H new ATOM 0 HG2 PRO A 55 -34.512 -10.866 -21.374 1.00 71.33 H new ATOM 0 HG3 PRO A 55 -34.929 -11.728 -19.906 1.00 71.33 H new ATOM 0 HD2 PRO A 55 -36.205 -9.432 -20.624 1.00 31.41 H new ATOM 0 HD3 PRO A 55 -35.967 -9.859 -18.942 1.00 31.41 H new ATOM 890 N PRO A 56 -31.063 -8.613 -21.040 1.00 3.13 N ATOM 891 CA PRO A 56 -30.239 -8.218 -22.186 1.00 4.11 C ATOM 892 C PRO A 56 -30.431 -9.142 -23.384 1.00 3.32 C ATOM 893 O PRO A 56 -30.893 -10.274 -23.241 1.00 32.15 O ATOM 894 CB PRO A 56 -28.809 -8.328 -21.650 1.00 11.14 C ATOM 895 CG PRO A 56 -28.894 -9.326 -20.547 1.00 62.32 C ATOM 896 CD PRO A 56 -30.254 -9.149 -19.932 1.00 34.22 C ATOM 0 HA PRO A 56 -30.497 -7.223 -22.550 1.00 4.11 H new ATOM 0 HB2 PRO A 56 -28.119 -8.655 -22.428 1.00 11.14 H new ATOM 0 HB3 PRO A 56 -28.447 -7.366 -21.287 1.00 11.14 H new ATOM 0 HG2 PRO A 56 -28.767 -10.340 -20.927 1.00 62.32 H new ATOM 0 HG3 PRO A 56 -28.108 -9.161 -19.810 1.00 62.32 H new ATOM 0 HD2 PRO A 56 -30.654 -10.093 -19.563 1.00 34.22 H new ATOM 0 HD3 PRO A 56 -30.226 -8.462 -19.086 1.00 34.22 H new ATOM 904 N THR A 57 -30.072 -8.652 -24.567 1.00 13.14 N ATOM 905 CA THR A 57 -30.206 -9.433 -25.790 1.00 21.24 C ATOM 906 C THR A 57 -29.434 -10.744 -25.692 1.00 21.02 C ATOM 907 O THR A 57 -29.780 -11.729 -26.344 1.00 23.23 O ATOM 908 CB THR A 57 -29.706 -8.647 -27.016 1.00 52.41 C ATOM 909 OG1 THR A 57 -29.687 -9.496 -28.169 1.00 32.34 O ATOM 910 CG2 THR A 57 -28.313 -8.087 -26.769 1.00 54.04 C ATOM 0 H THR A 57 -29.686 -7.718 -24.703 1.00 13.14 H new ATOM 0 HA THR A 57 -31.268 -9.647 -25.913 1.00 21.24 H new ATOM 0 HB THR A 57 -30.389 -7.815 -27.189 1.00 52.41 H new ATOM 0 HG1 THR A 57 -29.369 -8.988 -28.944 1.00 32.34 H new ATOM 0 HG21 THR A 57 -27.981 -7.536 -27.649 1.00 54.04 H new ATOM 0 HG22 THR A 57 -28.337 -7.417 -25.909 1.00 54.04 H new ATOM 0 HG23 THR A 57 -27.621 -8.906 -26.572 1.00 54.04 H new ATOM 918 N SER A 58 -28.387 -10.749 -24.873 1.00 20.22 N ATOM 919 CA SER A 58 -27.564 -11.939 -24.692 1.00 63.11 C ATOM 920 C SER A 58 -28.340 -13.031 -23.962 1.00 40.01 C ATOM 921 O SER A 58 -27.991 -14.210 -24.032 1.00 52.13 O ATOM 922 CB SER A 58 -26.293 -11.593 -23.913 1.00 15.21 C ATOM 923 OG SER A 58 -26.564 -10.651 -22.889 1.00 50.02 O ATOM 0 H SER A 58 -28.089 -9.942 -24.324 1.00 20.22 H new ATOM 0 HA SER A 58 -27.287 -12.312 -25.678 1.00 63.11 H new ATOM 0 HB2 SER A 58 -25.872 -12.499 -23.476 1.00 15.21 H new ATOM 0 HB3 SER A 58 -25.544 -11.189 -24.594 1.00 15.21 H new ATOM 0 HG SER A 58 -26.247 -9.766 -23.166 1.00 50.02 H new ATOM 929 N CYS A 59 -29.395 -12.630 -23.261 1.00 0.12 N ATOM 930 CA CYS A 59 -30.222 -13.572 -22.516 1.00 50.14 C ATOM 931 C CYS A 59 -30.971 -14.505 -23.464 1.00 2.13 C ATOM 932 O CYS A 59 -31.376 -15.602 -23.079 1.00 53.24 O ATOM 933 CB CYS A 59 -31.218 -12.820 -21.631 1.00 43.32 C ATOM 934 SG CYS A 59 -32.382 -13.899 -20.738 1.00 72.35 S ATOM 0 H CYS A 59 -29.698 -11.658 -23.193 1.00 0.12 H new ATOM 0 HA CYS A 59 -29.567 -14.172 -21.885 1.00 50.14 H new ATOM 0 HB2 CYS A 59 -30.665 -12.222 -20.907 1.00 43.32 H new ATOM 0 HB3 CYS A 59 -31.785 -12.125 -22.250 1.00 43.32 H new ATOM 939 N SER A 60 -31.150 -14.061 -24.704 1.00 1.03 N ATOM 940 CA SER A 60 -31.853 -14.854 -25.706 1.00 24.15 C ATOM 941 C SER A 60 -31.022 -14.981 -26.979 1.00 3.12 C ATOM 942 O SER A 60 -30.225 -14.101 -27.305 1.00 3.13 O ATOM 943 CB SER A 60 -33.208 -14.222 -26.028 1.00 41.13 C ATOM 944 OG SER A 60 -33.136 -12.808 -25.978 1.00 42.53 O ATOM 0 H SER A 60 -30.818 -13.157 -25.039 1.00 1.03 H new ATOM 0 HA SER A 60 -32.014 -15.852 -25.297 1.00 24.15 H new ATOM 0 HB2 SER A 60 -33.534 -14.538 -27.019 1.00 41.13 H new ATOM 0 HB3 SER A 60 -33.956 -14.576 -25.319 1.00 41.13 H new ATOM 0 HG SER A 60 -34.014 -12.428 -26.189 1.00 42.53 H new ATOM 950 N LYS A 61 -31.214 -16.083 -27.696 1.00 3.04 N ATOM 951 CA LYS A 61 -30.484 -16.327 -28.934 1.00 75.34 C ATOM 952 C LYS A 61 -31.288 -17.224 -29.871 1.00 51.31 C ATOM 953 O LYS A 61 -31.967 -18.150 -29.428 1.00 62.41 O ATOM 954 CB LYS A 61 -29.129 -16.971 -28.634 1.00 1.21 C ATOM 955 CG LYS A 61 -27.977 -16.351 -29.405 1.00 41.24 C ATOM 956 CD LYS A 61 -27.843 -16.958 -30.792 1.00 32.22 C ATOM 957 CE LYS A 61 -27.432 -18.421 -30.722 1.00 50.11 C ATOM 958 NZ LYS A 61 -26.337 -18.736 -31.681 1.00 50.51 N ATOM 0 H LYS A 61 -31.869 -16.822 -27.441 1.00 3.04 H new ATOM 0 HA LYS A 61 -30.322 -15.368 -29.426 1.00 75.34 H new ATOM 0 HB2 LYS A 61 -28.926 -16.890 -27.566 1.00 1.21 H new ATOM 0 HB3 LYS A 61 -29.182 -18.034 -28.868 1.00 1.21 H new ATOM 0 HG2 LYS A 61 -28.133 -15.276 -29.491 1.00 41.24 H new ATOM 0 HG3 LYS A 61 -27.049 -16.496 -28.852 1.00 41.24 H new ATOM 0 HD2 LYS A 61 -28.791 -16.870 -31.322 1.00 32.22 H new ATOM 0 HD3 LYS A 61 -27.104 -16.398 -31.366 1.00 32.22 H new ATOM 0 HE2 LYS A 61 -27.107 -18.659 -29.709 1.00 50.11 H new ATOM 0 HE3 LYS A 61 -28.295 -19.051 -30.936 1.00 50.11 H new ATOM 0 HZ1 LYS A 61 -26.086 -19.742 -31.603 1.00 50.51 H new ATOM 0 HZ2 LYS A 61 -26.655 -18.533 -32.650 1.00 50.51 H new ATOM 0 HZ3 LYS A 61 -25.504 -18.153 -31.461 1.00 50.51 H new ATOM 972 N ASP A 62 -31.206 -16.942 -31.167 1.00 24.52 N ATOM 973 CA ASP A 62 -31.923 -17.725 -32.166 1.00 73.22 C ATOM 974 C ASP A 62 -33.410 -17.798 -31.834 1.00 74.21 C ATOM 975 O ASP A 62 -34.095 -18.749 -32.209 1.00 63.23 O ATOM 976 CB ASP A 62 -31.338 -19.136 -32.257 1.00 15.51 C ATOM 977 CG ASP A 62 -31.520 -19.750 -33.631 1.00 21.32 C ATOM 978 OD1 ASP A 62 -31.045 -19.150 -34.617 1.00 43.34 O ATOM 979 OD2 ASP A 62 -32.136 -20.833 -33.719 1.00 53.43 O ATOM 0 H ASP A 62 -30.650 -16.177 -31.550 1.00 24.52 H new ATOM 0 HA ASP A 62 -31.808 -17.230 -33.130 1.00 73.22 H new ATOM 0 HB2 ASP A 62 -30.276 -19.102 -32.015 1.00 15.51 H new ATOM 0 HB3 ASP A 62 -31.815 -19.773 -31.512 1.00 15.51 H new ATOM 984 N GLY A 63 -33.904 -16.787 -31.126 1.00 51.53 N ATOM 985 CA GLY A 63 -35.306 -16.756 -30.754 1.00 75.13 C ATOM 986 C GLY A 63 -35.614 -17.660 -29.577 1.00 62.42 C ATOM 987 O GLY A 63 -36.740 -18.134 -29.426 1.00 70.12 O ATOM 0 H GLY A 63 -33.358 -15.988 -30.803 1.00 51.53 H new ATOM 0 HA2 GLY A 63 -35.590 -15.733 -30.507 1.00 75.13 H new ATOM 0 HA3 GLY A 63 -35.912 -17.058 -31.608 1.00 75.13 H new ATOM 991 N VAL A 64 -34.609 -17.902 -28.741 1.00 34.52 N ATOM 992 CA VAL A 64 -34.777 -18.757 -27.571 1.00 54.33 C ATOM 993 C VAL A 64 -34.402 -18.017 -26.292 1.00 64.31 C ATOM 994 O VAL A 64 -33.619 -17.068 -26.320 1.00 61.11 O ATOM 995 CB VAL A 64 -33.924 -20.034 -27.682 1.00 73.32 C ATOM 996 CG1 VAL A 64 -32.528 -19.794 -27.129 1.00 41.22 C ATOM 997 CG2 VAL A 64 -34.601 -21.190 -26.961 1.00 24.33 C ATOM 0 H VAL A 64 -33.670 -17.518 -28.852 1.00 34.52 H new ATOM 0 HA VAL A 64 -35.830 -19.036 -27.531 1.00 54.33 H new ATOM 0 HB VAL A 64 -33.830 -20.297 -28.736 1.00 73.32 H new ATOM 0 HG11 VAL A 64 -31.940 -20.708 -27.216 1.00 41.22 H new ATOM 0 HG12 VAL A 64 -32.045 -18.997 -27.694 1.00 41.22 H new ATOM 0 HG13 VAL A 64 -32.597 -19.505 -26.080 1.00 41.22 H new ATOM 0 HG21 VAL A 64 -33.985 -22.085 -27.049 1.00 24.33 H new ATOM 0 HG22 VAL A 64 -34.727 -20.938 -25.908 1.00 24.33 H new ATOM 0 HG23 VAL A 64 -35.577 -21.376 -27.409 1.00 24.33 H new ATOM 1007 N GLN A 65 -34.965 -18.459 -25.172 1.00 63.53 N ATOM 1008 CA GLN A 65 -34.688 -17.839 -23.882 1.00 54.22 C ATOM 1009 C GLN A 65 -33.847 -18.760 -23.004 1.00 53.52 C ATOM 1010 O GLN A 65 -34.073 -19.969 -22.960 1.00 32.01 O ATOM 1011 CB GLN A 65 -35.996 -17.490 -23.170 1.00 13.13 C ATOM 1012 CG GLN A 65 -35.830 -16.462 -22.062 1.00 33.20 C ATOM 1013 CD GLN A 65 -35.992 -17.063 -20.680 1.00 13.14 C ATOM 1014 OE1 GLN A 65 -36.914 -17.841 -20.432 1.00 71.13 O ATOM 1015 NE2 GLN A 65 -35.095 -16.704 -19.769 1.00 62.30 N ATOM 0 H GLN A 65 -35.615 -19.244 -25.132 1.00 63.53 H new ATOM 0 HA GLN A 65 -34.124 -16.924 -24.061 1.00 54.22 H new ATOM 0 HB2 GLN A 65 -36.709 -17.111 -23.902 1.00 13.13 H new ATOM 0 HB3 GLN A 65 -36.425 -18.399 -22.749 1.00 13.13 H new ATOM 0 HG2 GLN A 65 -34.844 -16.004 -22.141 1.00 33.20 H new ATOM 0 HG3 GLN A 65 -36.563 -15.667 -22.197 1.00 33.20 H new ATOM 0 HE21 GLN A 65 -34.347 -16.057 -20.017 1.00 62.30 H new ATOM 0 HE22 GLN A 65 -35.154 -17.076 -18.821 1.00 62.30 H new ATOM 1024 N PHE A 66 -32.876 -18.179 -22.307 1.00 31.31 N ATOM 1025 CA PHE A 66 -32.000 -18.948 -21.431 1.00 22.03 C ATOM 1026 C PHE A 66 -32.498 -18.905 -19.989 1.00 53.12 C ATOM 1027 O PHE A 66 -32.083 -18.055 -19.201 1.00 24.02 O ATOM 1028 CB PHE A 66 -30.570 -18.409 -21.504 1.00 43.01 C ATOM 1029 CG PHE A 66 -29.963 -18.503 -22.875 1.00 32.11 C ATOM 1030 CD1 PHE A 66 -30.167 -19.625 -23.662 1.00 30.45 C ATOM 1031 CD2 PHE A 66 -29.190 -17.469 -23.377 1.00 62.13 C ATOM 1032 CE1 PHE A 66 -29.609 -19.715 -24.923 1.00 14.31 C ATOM 1033 CE2 PHE A 66 -28.630 -17.553 -24.638 1.00 42.42 C ATOM 1034 CZ PHE A 66 -28.841 -18.677 -25.412 1.00 41.44 C ATOM 0 H PHE A 66 -32.676 -17.179 -22.332 1.00 31.31 H new ATOM 0 HA PHE A 66 -32.009 -19.984 -21.769 1.00 22.03 H new ATOM 0 HB2 PHE A 66 -30.566 -17.367 -21.184 1.00 43.01 H new ATOM 0 HB3 PHE A 66 -29.946 -18.960 -20.801 1.00 43.01 H new ATOM 0 HD1 PHE A 66 -30.769 -20.439 -23.286 1.00 30.45 H new ATOM 0 HD2 PHE A 66 -29.023 -16.587 -22.776 1.00 62.13 H new ATOM 0 HE1 PHE A 66 -29.773 -20.596 -25.525 1.00 14.31 H new ATOM 0 HE2 PHE A 66 -28.028 -16.740 -25.017 1.00 42.42 H new ATOM 0 HZ PHE A 66 -28.406 -18.744 -26.398 1.00 41.44 H new ATOM 1044 N THR A 67 -33.393 -19.828 -19.651 1.00 14.01 N ATOM 1045 CA THR A 67 -33.951 -19.895 -18.306 1.00 23.40 C ATOM 1046 C THR A 67 -32.908 -20.372 -17.302 1.00 24.41 C ATOM 1047 O THR A 67 -33.127 -20.316 -16.092 1.00 63.24 O ATOM 1048 CB THR A 67 -35.169 -20.836 -18.249 1.00 71.23 C ATOM 1049 OG1 THR A 67 -34.765 -22.179 -18.538 1.00 61.23 O ATOM 1050 CG2 THR A 67 -36.237 -20.398 -19.240 1.00 33.41 C ATOM 0 H THR A 67 -33.747 -20.540 -20.290 1.00 14.01 H new ATOM 0 HA THR A 67 -34.269 -18.886 -18.045 1.00 23.40 H new ATOM 0 HB THR A 67 -35.588 -20.792 -17.244 1.00 71.23 H new ATOM 0 HG1 THR A 67 -35.545 -22.771 -18.498 1.00 61.23 H new ATOM 0 HG21 THR A 67 -37.088 -21.077 -19.182 1.00 33.41 H new ATOM 0 HG22 THR A 67 -36.563 -19.386 -19.000 1.00 33.41 H new ATOM 0 HG23 THR A 67 -35.826 -20.416 -20.249 1.00 33.41 H new ATOM 1058 N GLU A 68 -31.773 -20.841 -17.812 1.00 2.13 N ATOM 1059 CA GLU A 68 -30.696 -21.328 -16.957 1.00 41.35 C ATOM 1060 C GLU A 68 -29.857 -20.169 -16.426 1.00 13.03 C ATOM 1061 O GLU A 68 -29.640 -19.176 -17.119 1.00 31.20 O ATOM 1062 CB GLU A 68 -29.805 -22.304 -17.728 1.00 75.53 C ATOM 1063 CG GLU A 68 -30.575 -23.432 -18.396 1.00 44.25 C ATOM 1064 CD GLU A 68 -29.698 -24.285 -19.293 1.00 10.04 C ATOM 1065 OE1 GLU A 68 -29.274 -23.785 -20.356 1.00 25.53 O ATOM 1066 OE2 GLU A 68 -29.437 -25.451 -18.932 1.00 22.45 O ATOM 0 H GLU A 68 -31.576 -20.894 -18.811 1.00 2.13 H new ATOM 0 HA GLU A 68 -31.145 -21.847 -16.111 1.00 41.35 H new ATOM 0 HB2 GLU A 68 -29.250 -21.754 -18.488 1.00 75.53 H new ATOM 0 HB3 GLU A 68 -29.071 -22.731 -17.044 1.00 75.53 H new ATOM 0 HG2 GLU A 68 -31.027 -24.062 -17.630 1.00 44.25 H new ATOM 0 HG3 GLU A 68 -31.390 -23.012 -18.985 1.00 44.25 H new ATOM 1073 N GLY A 69 -29.389 -20.304 -15.189 1.00 2.14 N ATOM 1074 CA GLY A 69 -28.580 -19.262 -14.584 1.00 12.42 C ATOM 1075 C GLY A 69 -27.156 -19.258 -15.103 1.00 11.10 C ATOM 1076 O GLY A 69 -26.786 -20.093 -15.929 1.00 31.13 O ATOM 0 H GLY A 69 -29.556 -21.116 -14.595 1.00 2.14 H new ATOM 0 HA2 GLY A 69 -29.037 -18.292 -14.779 1.00 12.42 H new ATOM 0 HA3 GLY A 69 -28.569 -19.397 -13.502 1.00 12.42 H new ATOM 1080 N CYS A 70 -26.354 -18.315 -14.620 1.00 14.40 N ATOM 1081 CA CYS A 70 -24.963 -18.203 -15.041 1.00 72.34 C ATOM 1082 C CYS A 70 -24.031 -18.841 -14.015 1.00 73.21 C ATOM 1083 O CYS A 70 -23.127 -19.598 -14.369 1.00 70.40 O ATOM 1084 CB CYS A 70 -24.586 -16.735 -15.245 1.00 53.44 C ATOM 1085 SG CYS A 70 -24.947 -16.099 -16.914 1.00 62.43 S ATOM 0 H CYS A 70 -26.644 -17.617 -13.936 1.00 14.40 H new ATOM 0 HA CYS A 70 -24.852 -18.734 -15.986 1.00 72.34 H new ATOM 0 HB2 CYS A 70 -25.120 -16.129 -14.513 1.00 53.44 H new ATOM 0 HB3 CYS A 70 -23.522 -16.613 -15.044 1.00 53.44 H new ATOM 1090 N ILE A 71 -24.259 -18.530 -12.744 1.00 2.24 N ATOM 1091 CA ILE A 71 -23.441 -19.073 -11.666 1.00 70.34 C ATOM 1092 C ILE A 71 -23.401 -20.597 -11.721 1.00 54.33 C ATOM 1093 O ILE A 71 -22.349 -21.209 -11.536 1.00 52.24 O ATOM 1094 CB ILE A 71 -23.964 -18.634 -10.286 1.00 21.00 C ATOM 1095 CG1 ILE A 71 -23.972 -17.108 -10.182 1.00 0.44 C ATOM 1096 CG2 ILE A 71 -23.114 -19.242 -9.180 1.00 12.42 C ATOM 1097 CD1 ILE A 71 -24.942 -16.578 -9.149 1.00 1.32 C ATOM 0 H ILE A 71 -25.003 -17.905 -12.435 1.00 2.24 H new ATOM 0 HA ILE A 71 -22.434 -18.680 -11.805 1.00 70.34 H new ATOM 0 HB ILE A 71 -24.987 -18.992 -10.170 1.00 21.00 H new ATOM 0 HG12 ILE A 71 -22.968 -16.763 -9.936 1.00 0.44 H new ATOM 0 HG13 ILE A 71 -24.224 -16.687 -11.155 1.00 0.44 H new ATOM 0 HG21 ILE A 71 -23.496 -18.923 -8.210 1.00 12.42 H new ATOM 0 HG22 ILE A 71 -23.155 -20.329 -9.246 1.00 12.42 H new ATOM 0 HG23 ILE A 71 -22.082 -18.910 -9.290 1.00 12.42 H new ATOM 0 HD11 ILE A 71 -24.894 -15.489 -9.130 1.00 1.32 H new ATOM 0 HD12 ILE A 71 -25.954 -16.892 -9.405 1.00 1.32 H new ATOM 0 HD13 ILE A 71 -24.678 -16.970 -8.167 1.00 1.32 H new ATOM 1109 N LYS A 72 -24.555 -21.204 -11.978 1.00 62.15 N ATOM 1110 CA LYS A 72 -24.653 -22.657 -12.062 1.00 13.55 C ATOM 1111 C LYS A 72 -23.927 -23.181 -13.296 1.00 24.54 C ATOM 1112 O LYS A 72 -23.307 -24.245 -13.259 1.00 12.12 O ATOM 1113 CB LYS A 72 -26.121 -23.087 -12.099 1.00 73.34 C ATOM 1114 CG LYS A 72 -26.787 -23.099 -10.734 1.00 71.32 C ATOM 1115 CD LYS A 72 -28.291 -23.286 -10.849 1.00 3.53 C ATOM 1116 CE LYS A 72 -28.933 -23.490 -9.485 1.00 4.51 C ATOM 1117 NZ LYS A 72 -28.727 -24.874 -8.977 1.00 32.22 N ATOM 0 H LYS A 72 -25.435 -20.712 -12.132 1.00 62.15 H new ATOM 0 HA LYS A 72 -24.178 -23.081 -11.177 1.00 13.55 H new ATOM 0 HB2 LYS A 72 -26.671 -22.414 -12.756 1.00 73.34 H new ATOM 0 HB3 LYS A 72 -26.188 -24.084 -12.535 1.00 73.34 H new ATOM 0 HG2 LYS A 72 -26.365 -23.902 -10.129 1.00 71.32 H new ATOM 0 HG3 LYS A 72 -26.574 -22.164 -10.216 1.00 71.32 H new ATOM 0 HD2 LYS A 72 -28.731 -22.414 -11.333 1.00 3.53 H new ATOM 0 HD3 LYS A 72 -28.504 -24.145 -11.485 1.00 3.53 H new ATOM 0 HE2 LYS A 72 -28.513 -22.777 -8.776 1.00 4.51 H new ATOM 0 HE3 LYS A 72 -30.001 -23.283 -9.552 1.00 4.51 H new ATOM 0 HZ1 LYS A 72 -29.179 -24.973 -8.046 1.00 32.22 H new ATOM 0 HZ2 LYS A 72 -29.149 -25.554 -9.641 1.00 32.22 H new ATOM 0 HZ3 LYS A 72 -27.708 -25.063 -8.889 1.00 32.22 H new ATOM 1131 N LYS A 73 -24.005 -22.429 -14.388 1.00 2.44 N ATOM 1132 CA LYS A 73 -23.352 -22.816 -15.633 1.00 15.32 C ATOM 1133 C LYS A 73 -21.835 -22.777 -15.487 1.00 24.02 C ATOM 1134 O LYS A 73 -21.137 -23.701 -15.906 1.00 1.24 O ATOM 1135 CB LYS A 73 -23.790 -21.891 -16.771 1.00 3.53 C ATOM 1136 CG LYS A 73 -25.087 -22.317 -17.437 1.00 4.52 C ATOM 1137 CD LYS A 73 -24.837 -23.308 -18.561 1.00 43.52 C ATOM 1138 CE LYS A 73 -24.851 -24.741 -18.054 1.00 23.42 C ATOM 1139 NZ LYS A 73 -25.105 -25.716 -19.151 1.00 51.50 N ATOM 0 H LYS A 73 -24.515 -21.547 -14.436 1.00 2.44 H new ATOM 0 HA LYS A 73 -23.650 -23.838 -15.868 1.00 15.32 H new ATOM 0 HB2 LYS A 73 -23.907 -20.880 -16.381 1.00 3.53 H new ATOM 0 HB3 LYS A 73 -23.001 -21.854 -17.522 1.00 3.53 H new ATOM 0 HG2 LYS A 73 -25.748 -22.766 -16.695 1.00 4.52 H new ATOM 0 HG3 LYS A 73 -25.600 -21.440 -17.831 1.00 4.52 H new ATOM 0 HD2 LYS A 73 -25.599 -23.186 -19.331 1.00 43.52 H new ATOM 0 HD3 LYS A 73 -23.875 -23.095 -19.028 1.00 43.52 H new ATOM 0 HE2 LYS A 73 -23.896 -24.968 -17.581 1.00 23.42 H new ATOM 0 HE3 LYS A 73 -25.619 -24.848 -17.288 1.00 23.42 H new ATOM 0 HZ1 LYS A 73 -25.107 -26.681 -18.764 1.00 51.50 H new ATOM 0 HZ2 LYS A 73 -26.028 -25.516 -19.586 1.00 51.50 H new ATOM 0 HZ3 LYS A 73 -24.358 -25.632 -19.870 1.00 51.50 H new