USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 461 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 36 CYS SG : rot 40:sc= -21.7! USER MOD Set 1.2: A 62 CYS SG : rot 94:sc= -22.5! USER MOD Set 2.1: A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 23 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=-0.016) USER MOD Single : A 13 SER OG : rot 180:sc= -0.759 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 27 SER OG : rot -160:sc= 0.563 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.887 K(o=-0.89,f=-0.022) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.049) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.09 K(o=-1.1,f=-3) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 -5.461 0.667 -26.528 1.00 4.31 N ATOM 171 CA ARG A 12 -5.300 -0.692 -27.029 1.00 60.31 C ATOM 172 C ARG A 12 -5.282 -0.711 -28.555 1.00 4.22 C ATOM 173 O ARG A 12 -6.071 -1.413 -29.187 1.00 1.04 O ATOM 174 CB ARG A 12 -6.428 -1.586 -26.511 1.00 72.21 C ATOM 175 CG ARG A 12 -6.241 -2.029 -25.069 1.00 72.12 C ATOM 176 CD ARG A 12 -7.567 -2.079 -24.325 1.00 63.25 C ATOM 177 NE ARG A 12 -8.523 -2.975 -24.970 1.00 64.43 N ATOM 178 CZ ARG A 12 -9.788 -3.099 -24.587 1.00 15.51 C ATOM 179 NH1 ARG A 12 -10.248 -2.386 -23.568 1.00 33.03 N ATOM 180 NH2 ARG A 12 -10.597 -3.935 -25.224 1.00 35.40 N ATOM 0 HA ARG A 12 -4.346 -1.075 -26.667 1.00 60.31 H new ATOM 0 HB2 ARG A 12 -7.373 -1.051 -26.598 1.00 72.21 H new ATOM 0 HB3 ARG A 12 -6.502 -2.468 -27.147 1.00 72.21 H new ATOM 0 HG2 ARG A 12 -5.773 -3.013 -25.047 1.00 72.12 H new ATOM 0 HG3 ARG A 12 -5.563 -1.343 -24.561 1.00 72.12 H new ATOM 0 HD2 ARG A 12 -7.396 -2.409 -23.300 1.00 63.25 H new ATOM 0 HD3 ARG A 12 -7.990 -1.076 -24.270 1.00 63.25 H new ATOM 0 HE ARG A 12 -8.201 -3.537 -25.758 1.00 64.43 H new ATOM 0 HH11 ARG A 12 -9.630 -1.741 -23.077 1.00 33.03 H new ATOM 0 HH12 ARG A 12 -11.220 -2.483 -23.275 1.00 33.03 H new ATOM 0 HH21 ARG A 12 -10.247 -4.484 -26.009 1.00 35.40 H new ATOM 0 HH22 ARG A 12 -11.569 -4.029 -24.928 1.00 35.40 H new ATOM 194 N SER A 13 -4.376 0.066 -29.140 1.00 2.20 N ATOM 195 CA SER A 13 -4.257 0.143 -30.591 1.00 73.44 C ATOM 196 C SER A 13 -2.795 0.083 -31.021 1.00 24.01 C ATOM 197 O SER A 13 -1.900 -0.097 -30.195 1.00 33.35 O ATOM 198 CB SER A 13 -4.901 1.430 -31.110 1.00 3.23 C ATOM 199 OG SER A 13 -3.922 2.422 -31.366 1.00 2.33 O ATOM 0 H SER A 13 -3.714 0.651 -28.631 1.00 2.20 H new ATOM 0 HA SER A 13 -4.778 -0.713 -31.019 1.00 73.44 H new ATOM 0 HB2 SER A 13 -5.457 1.219 -32.023 1.00 3.23 H new ATOM 0 HB3 SER A 13 -5.618 1.802 -30.378 1.00 3.23 H new ATOM 0 HG SER A 13 -4.358 3.234 -31.698 1.00 2.33 H new ATOM 205 N SER A 14 -2.559 0.236 -32.320 1.00 73.32 N ATOM 206 CA SER A 14 -1.206 0.196 -32.862 1.00 20.42 C ATOM 207 C SER A 14 -0.674 1.606 -33.099 1.00 23.41 C ATOM 208 O SER A 14 0.073 1.849 -34.047 1.00 50.11 O ATOM 209 CB SER A 14 -1.181 -0.598 -34.170 1.00 4.04 C ATOM 210 OG SER A 14 -1.104 -1.991 -33.920 1.00 14.34 O ATOM 0 H SER A 14 -3.288 0.389 -33.017 1.00 73.32 H new ATOM 0 HA SER A 14 -0.563 -0.298 -32.133 1.00 20.42 H new ATOM 0 HB2 SER A 14 -2.078 -0.378 -34.749 1.00 4.04 H new ATOM 0 HB3 SER A 14 -0.328 -0.286 -34.772 1.00 4.04 H new ATOM 0 HG SER A 14 -1.091 -2.476 -34.772 1.00 14.34 H new ATOM 216 N LYS A 15 -1.063 2.532 -32.230 1.00 55.10 N ATOM 217 CA LYS A 15 -0.626 3.919 -32.342 1.00 33.44 C ATOM 218 C LYS A 15 0.868 4.042 -32.063 1.00 23.12 C ATOM 219 O LYS A 15 1.413 3.326 -31.222 1.00 63.34 O ATOM 220 CB LYS A 15 -1.412 4.802 -31.370 1.00 43.40 C ATOM 221 CG LYS A 15 -0.945 4.687 -29.929 1.00 62.23 C ATOM 222 CD LYS A 15 -1.482 3.429 -29.268 1.00 72.42 C ATOM 223 CE LYS A 15 -0.410 2.356 -29.157 1.00 23.12 C ATOM 224 NZ LYS A 15 -0.561 1.547 -27.916 1.00 32.03 N ATOM 0 H LYS A 15 -1.681 2.347 -31.440 1.00 55.10 H new ATOM 0 HA LYS A 15 -0.816 4.253 -33.362 1.00 33.44 H new ATOM 0 HB2 LYS A 15 -1.329 5.841 -31.688 1.00 43.40 H new ATOM 0 HB3 LYS A 15 -2.468 4.536 -31.423 1.00 43.40 H new ATOM 0 HG2 LYS A 15 0.145 4.679 -29.898 1.00 62.23 H new ATOM 0 HG3 LYS A 15 -1.273 5.562 -29.368 1.00 62.23 H new ATOM 0 HD2 LYS A 15 -1.860 3.672 -28.275 1.00 72.42 H new ATOM 0 HD3 LYS A 15 -2.324 3.045 -29.844 1.00 72.42 H new ATOM 0 HE2 LYS A 15 -0.461 1.700 -30.026 1.00 23.12 H new ATOM 0 HE3 LYS A 15 0.574 2.824 -29.168 1.00 23.12 H new ATOM 0 HZ1 LYS A 15 0.188 0.827 -27.878 1.00 32.03 H new ATOM 0 HZ2 LYS A 15 -0.487 2.168 -27.085 1.00 32.03 H new ATOM 0 HZ3 LYS A 15 -1.490 1.080 -27.917 1.00 32.03 H new ATOM 238 N ILE A 16 1.524 4.955 -32.771 1.00 64.54 N ATOM 239 CA ILE A 16 2.955 5.173 -32.597 1.00 61.54 C ATOM 240 C ILE A 16 3.410 6.438 -33.317 1.00 71.42 C ATOM 241 O ILE A 16 2.642 7.053 -34.057 1.00 14.11 O ATOM 242 CB ILE A 16 3.774 3.977 -33.118 1.00 22.41 C ATOM 243 CG1 ILE A 16 2.974 3.199 -34.165 1.00 14.13 C ATOM 244 CG2 ILE A 16 4.174 3.067 -31.966 1.00 20.01 C ATOM 245 CD1 ILE A 16 3.800 2.190 -34.931 1.00 3.41 C ATOM 0 H ILE A 16 1.088 5.556 -33.470 1.00 64.54 H new ATOM 0 HA ILE A 16 3.129 5.284 -31.527 1.00 61.54 H new ATOM 0 HB ILE A 16 4.681 4.355 -33.589 1.00 22.41 H new ATOM 0 HG12 ILE A 16 2.151 2.682 -33.671 1.00 14.13 H new ATOM 0 HG13 ILE A 16 2.531 3.903 -34.869 1.00 14.13 H new ATOM 0 HG21 ILE A 16 4.752 2.227 -32.350 1.00 20.01 H new ATOM 0 HG22 ILE A 16 4.778 3.627 -31.253 1.00 20.01 H new ATOM 0 HG23 ILE A 16 3.278 2.694 -31.469 1.00 20.01 H new ATOM 0 HD11 ILE A 16 3.167 1.677 -35.655 1.00 3.41 H new ATOM 0 HD12 ILE A 16 4.608 2.703 -35.454 1.00 3.41 H new ATOM 0 HD13 ILE A 16 4.221 1.463 -34.237 1.00 3.41 H new ATOM 257 N ILE A 17 4.664 6.819 -33.097 1.00 35.23 N ATOM 258 CA ILE A 17 5.222 8.009 -33.727 1.00 35.13 C ATOM 259 C ILE A 17 6.190 7.637 -34.844 1.00 23.50 C ATOM 260 O ILE A 17 6.615 6.485 -34.955 1.00 13.53 O ATOM 261 CB ILE A 17 5.953 8.897 -32.703 1.00 40.32 C ATOM 262 CG1 ILE A 17 7.094 8.120 -32.044 1.00 44.02 C ATOM 263 CG2 ILE A 17 4.978 9.409 -31.653 1.00 71.33 C ATOM 264 CD1 ILE A 17 6.692 7.429 -30.760 1.00 64.22 C ATOM 0 H ILE A 17 5.313 6.321 -32.487 1.00 35.23 H new ATOM 0 HA ILE A 17 4.385 8.566 -34.147 1.00 35.13 H new ATOM 0 HB ILE A 17 6.377 9.755 -33.226 1.00 40.32 H new ATOM 0 HG12 ILE A 17 7.468 7.375 -32.746 1.00 44.02 H new ATOM 0 HG13 ILE A 17 7.917 8.804 -31.837 1.00 44.02 H new ATOM 0 HG21 ILE A 17 5.510 10.035 -30.937 1.00 71.33 H new ATOM 0 HG22 ILE A 17 4.197 9.995 -32.137 1.00 71.33 H new ATOM 0 HG23 ILE A 17 4.528 8.564 -31.132 1.00 71.33 H new ATOM 0 HD11 ILE A 17 7.550 6.898 -30.348 1.00 64.22 H new ATOM 0 HD12 ILE A 17 6.345 8.171 -30.041 1.00 64.22 H new ATOM 0 HD13 ILE A 17 5.890 6.719 -30.964 1.00 64.22 H new ATOM 276 N LEU A 18 6.538 8.618 -35.669 1.00 70.43 N ATOM 277 CA LEU A 18 7.459 8.394 -36.778 1.00 42.31 C ATOM 278 C LEU A 18 8.434 9.559 -36.919 1.00 23.20 C ATOM 279 O LEU A 18 8.068 10.661 -37.328 1.00 24.10 O ATOM 280 CB LEU A 18 6.682 8.204 -38.082 1.00 44.21 C ATOM 281 CG LEU A 18 7.523 8.097 -39.355 1.00 21.12 C ATOM 282 CD1 LEU A 18 7.782 9.476 -39.941 1.00 41.02 C ATOM 283 CD2 LEU A 18 8.836 7.382 -39.068 1.00 53.22 C ATOM 0 H LEU A 18 6.197 9.576 -35.591 1.00 70.43 H new ATOM 0 HA LEU A 18 8.030 7.489 -36.567 1.00 42.31 H new ATOM 0 HB2 LEU A 18 6.077 7.301 -37.993 1.00 44.21 H new ATOM 0 HB3 LEU A 18 5.992 9.040 -38.196 1.00 44.21 H new ATOM 0 HG LEU A 18 6.966 7.512 -40.087 1.00 21.12 H new ATOM 0 HD11 LEU A 18 8.382 9.380 -40.846 1.00 41.02 H new ATOM 0 HD12 LEU A 18 6.832 9.952 -40.184 1.00 41.02 H new ATOM 0 HD13 LEU A 18 8.318 10.086 -39.214 1.00 41.02 H new ATOM 0 HD21 LEU A 18 9.422 7.315 -39.985 1.00 53.22 H new ATOM 0 HD22 LEU A 18 9.398 7.940 -38.319 1.00 53.22 H new ATOM 0 HD23 LEU A 18 8.630 6.379 -38.695 1.00 53.22 H new ATOM 295 N PRO A 19 9.707 9.311 -36.575 1.00 34.54 N ATOM 296 CA PRO A 19 10.761 10.325 -36.657 1.00 4.32 C ATOM 297 C PRO A 19 11.117 10.676 -38.097 1.00 51.54 C ATOM 298 O PRO A 19 11.892 9.973 -38.744 1.00 60.04 O ATOM 299 CB PRO A 19 11.950 9.659 -35.960 1.00 21.41 C ATOM 300 CG PRO A 19 11.707 8.197 -36.111 1.00 74.42 C ATOM 301 CD PRO A 19 10.214 8.020 -36.079 1.00 33.10 C ATOM 0 HA PRO A 19 10.456 11.267 -36.202 1.00 4.32 H new ATOM 0 HB2 PRO A 19 12.894 9.953 -36.419 1.00 21.41 H new ATOM 0 HB3 PRO A 19 12.004 9.945 -34.910 1.00 21.41 H new ATOM 0 HG2 PRO A 19 12.124 7.827 -37.048 1.00 74.42 H new ATOM 0 HG3 PRO A 19 12.184 7.637 -35.307 1.00 74.42 H new ATOM 0 HD2 PRO A 19 9.894 7.192 -36.712 1.00 33.10 H new ATOM 0 HD3 PRO A 19 9.856 7.808 -35.072 1.00 33.10 H new ATOM 309 N ALA A 20 10.546 11.769 -38.594 1.00 13.15 N ATOM 310 CA ALA A 20 10.805 12.215 -39.957 1.00 32.41 C ATOM 311 C ALA A 20 11.048 13.719 -40.006 1.00 12.20 C ATOM 312 O ALA A 20 12.116 14.173 -40.417 1.00 24.22 O ATOM 313 CB ALA A 20 9.645 11.836 -40.865 1.00 74.45 C ATOM 0 H ALA A 20 9.901 12.362 -38.072 1.00 13.15 H new ATOM 0 HA ALA A 20 11.707 11.716 -40.311 1.00 32.41 H new ATOM 0 HB1 ALA A 20 9.852 12.175 -41.880 1.00 74.45 H new ATOM 0 HB2 ALA A 20 9.520 10.753 -40.863 1.00 74.45 H new ATOM 0 HB3 ALA A 20 8.731 12.308 -40.504 1.00 74.45 H new ATOM 319 N CYS A 21 10.050 14.489 -39.585 1.00 51.12 N ATOM 320 CA CYS A 21 10.154 15.943 -39.582 1.00 1.20 C ATOM 321 C CYS A 21 10.448 16.464 -38.178 1.00 44.42 C ATOM 322 O CYS A 21 11.320 17.312 -37.990 1.00 43.22 O ATOM 323 CB CYS A 21 8.862 16.569 -40.110 1.00 13.33 C ATOM 324 SG CYS A 21 8.838 18.390 -40.049 1.00 25.22 S ATOM 0 H CYS A 21 9.159 14.130 -39.241 1.00 51.12 H new ATOM 0 HA CYS A 21 10.980 16.225 -40.236 1.00 1.20 H new ATOM 0 HB2 CYS A 21 8.711 16.249 -41.141 1.00 13.33 H new ATOM 0 HB3 CYS A 21 8.022 16.186 -39.531 1.00 13.33 H new ATOM 329 N MET A 22 9.715 15.950 -37.196 1.00 52.55 N ATOM 330 CA MET A 22 9.898 16.363 -35.810 1.00 22.23 C ATOM 331 C MET A 22 8.989 15.565 -34.881 1.00 13.04 C ATOM 332 O MET A 22 9.379 14.519 -34.361 1.00 3.11 O ATOM 333 CB MET A 22 9.616 17.859 -35.658 1.00 75.34 C ATOM 334 CG MET A 22 9.663 18.343 -34.218 1.00 52.44 C ATOM 335 SD MET A 22 10.578 19.886 -34.035 1.00 1.04 S ATOM 336 CE MET A 22 10.548 20.087 -32.255 1.00 44.30 C ATOM 0 H MET A 22 8.989 15.247 -37.334 1.00 52.55 H new ATOM 0 HA MET A 22 10.934 16.167 -35.533 1.00 22.23 H new ATOM 0 HB2 MET A 22 10.344 18.419 -36.245 1.00 75.34 H new ATOM 0 HB3 MET A 22 8.633 18.079 -36.075 1.00 75.34 H new ATOM 0 HG2 MET A 22 8.646 18.482 -33.852 1.00 52.44 H new ATOM 0 HG3 MET A 22 10.123 17.576 -33.595 1.00 52.44 H new ATOM 0 HE1 MET A 22 11.076 21.001 -31.983 1.00 44.30 H new ATOM 0 HE2 MET A 22 9.515 20.150 -31.913 1.00 44.30 H new ATOM 0 HE3 MET A 22 11.035 19.233 -31.784 1.00 44.30 H new ATOM 346 N HIS A 23 7.774 16.065 -34.675 1.00 44.32 N ATOM 347 CA HIS A 23 6.809 15.398 -33.808 1.00 43.34 C ATOM 348 C HIS A 23 5.558 15.007 -34.589 1.00 31.14 C ATOM 349 O HIS A 23 4.831 15.867 -35.084 1.00 74.11 O ATOM 350 CB HIS A 23 6.431 16.306 -32.637 1.00 64.14 C ATOM 351 CG HIS A 23 7.528 16.473 -31.631 1.00 51.10 C ATOM 352 ND1 HIS A 23 8.050 15.423 -30.905 1.00 51.22 N ATOM 353 CD2 HIS A 23 8.203 17.576 -31.232 1.00 41.54 C ATOM 354 CE1 HIS A 23 8.997 15.874 -30.102 1.00 64.25 C ATOM 355 NE2 HIS A 23 9.110 17.178 -30.282 1.00 64.50 N ATOM 0 H HIS A 23 7.435 16.930 -35.097 1.00 44.32 H new ATOM 0 HA HIS A 23 7.272 14.491 -33.419 1.00 43.34 H new ATOM 0 HB2 HIS A 23 6.151 17.286 -33.023 1.00 64.14 H new ATOM 0 HB3 HIS A 23 5.552 15.897 -32.139 1.00 64.14 H new ATOM 0 HD2 HIS A 23 8.055 18.583 -31.594 1.00 41.54 H new ATOM 0 HE1 HIS A 23 9.580 15.278 -29.415 1.00 64.25 H new ATOM 0 HE2 HIS A 23 9.765 17.789 -29.794 1.00 64.50 H new ATOM 363 N GLU A 24 5.315 13.704 -34.694 1.00 1.14 N ATOM 364 CA GLU A 24 4.152 13.200 -35.415 1.00 44.21 C ATOM 365 C GLU A 24 3.677 11.876 -34.824 1.00 11.32 C ATOM 366 O GLU A 24 4.415 11.204 -34.102 1.00 55.21 O ATOM 367 CB GLU A 24 4.484 13.019 -36.898 1.00 13.41 C ATOM 368 CG GLU A 24 5.756 12.226 -37.145 1.00 50.41 C ATOM 369 CD GLU A 24 6.256 12.355 -38.571 1.00 10.21 C ATOM 370 OE1 GLU A 24 5.539 11.912 -39.493 1.00 0.05 O ATOM 371 OE2 GLU A 24 7.363 12.898 -38.765 1.00 43.41 O ATOM 0 H GLU A 24 5.907 12.979 -34.289 1.00 1.14 H new ATOM 0 HA GLU A 24 3.350 13.931 -35.315 1.00 44.21 H new ATOM 0 HB2 GLU A 24 3.651 12.516 -37.389 1.00 13.41 H new ATOM 0 HB3 GLU A 24 4.582 14.000 -37.362 1.00 13.41 H new ATOM 0 HG2 GLU A 24 6.532 12.568 -36.460 1.00 50.41 H new ATOM 0 HG3 GLU A 24 5.574 11.175 -36.922 1.00 50.41 H new ATOM 378 N THR A 25 2.438 11.507 -35.134 1.00 40.14 N ATOM 379 CA THR A 25 1.862 10.265 -34.633 1.00 42.54 C ATOM 380 C THR A 25 0.815 9.717 -35.596 1.00 41.31 C ATOM 381 O THR A 25 0.313 10.438 -36.459 1.00 71.44 O ATOM 382 CB THR A 25 1.216 10.464 -33.249 1.00 45.12 C ATOM 383 OG1 THR A 25 2.002 11.371 -32.468 1.00 0.13 O ATOM 384 CG2 THR A 25 1.087 9.137 -32.517 1.00 71.11 C ATOM 0 H THR A 25 1.814 12.051 -35.730 1.00 40.14 H new ATOM 0 HA THR A 25 2.680 9.550 -34.545 1.00 42.54 H new ATOM 0 HB THR A 25 0.219 10.880 -33.394 1.00 45.12 H new ATOM 0 HG1 THR A 25 1.584 11.494 -31.590 1.00 0.13 H new ATOM 0 HG21 THR A 25 0.628 9.302 -31.542 1.00 71.11 H new ATOM 0 HG22 THR A 25 0.465 8.459 -33.101 1.00 71.11 H new ATOM 0 HG23 THR A 25 2.076 8.698 -32.383 1.00 71.11 H new ATOM 392 N CYS A 26 0.489 8.438 -35.442 1.00 51.35 N ATOM 393 CA CYS A 26 -0.499 7.793 -36.298 1.00 33.40 C ATOM 394 C CYS A 26 -1.119 6.586 -35.598 1.00 53.44 C ATOM 395 O CYS A 26 -0.452 5.887 -34.837 1.00 23.50 O ATOM 396 CB CYS A 26 0.144 7.357 -37.616 1.00 74.31 C ATOM 397 SG CYS A 26 -0.998 7.358 -39.036 1.00 44.01 S ATOM 0 H CYS A 26 0.895 7.828 -34.732 1.00 51.35 H new ATOM 0 HA CYS A 26 -1.288 8.515 -36.508 1.00 33.40 H new ATOM 0 HB2 CYS A 26 0.981 8.019 -37.836 1.00 74.31 H new ATOM 0 HB3 CYS A 26 0.554 6.355 -37.494 1.00 74.31 H new ATOM 402 N SER A 27 -2.400 6.350 -35.863 1.00 33.13 N ATOM 403 CA SER A 27 -3.112 5.231 -35.256 1.00 61.12 C ATOM 404 C SER A 27 -4.434 4.975 -35.974 1.00 64.40 C ATOM 405 O SER A 27 -5.243 5.884 -36.151 1.00 71.25 O ATOM 406 CB SER A 27 -3.369 5.506 -33.773 1.00 61.13 C ATOM 407 OG SER A 27 -4.552 6.264 -33.593 1.00 12.32 O ATOM 0 H SER A 27 -2.966 6.918 -36.493 1.00 33.13 H new ATOM 0 HA SER A 27 -2.489 4.342 -35.350 1.00 61.12 H new ATOM 0 HB2 SER A 27 -3.452 4.562 -33.234 1.00 61.13 H new ATOM 0 HB3 SER A 27 -2.521 6.043 -33.347 1.00 61.13 H new ATOM 0 HG SER A 27 -4.535 6.693 -32.712 1.00 12.32 H new ATOM 413 N GLY A 28 -4.645 3.728 -36.385 1.00 65.22 N ATOM 414 CA GLY A 28 -5.869 3.373 -37.079 1.00 64.42 C ATOM 415 C GLY A 28 -6.289 1.940 -36.817 1.00 12.23 C ATOM 416 O GLY A 28 -6.321 1.118 -37.731 1.00 60.31 O ATOM 0 H GLY A 28 -3.990 2.958 -36.250 1.00 65.22 H new ATOM 0 HA2 GLY A 28 -6.668 4.045 -36.767 1.00 64.42 H new ATOM 0 HA3 GLY A 28 -5.731 3.518 -38.150 1.00 64.42 H new ATOM 420 N GLY A 29 -6.612 1.640 -35.562 1.00 63.12 N ATOM 421 CA GLY A 29 -7.026 0.296 -35.204 1.00 71.02 C ATOM 422 C GLY A 29 -8.001 0.280 -34.043 1.00 63.33 C ATOM 423 O GLY A 29 -8.961 -0.490 -34.041 1.00 34.45 O ATOM 0 H GLY A 29 -6.594 2.304 -34.788 1.00 63.12 H new ATOM 0 HA2 GLY A 29 -7.487 -0.181 -36.069 1.00 71.02 H new ATOM 0 HA3 GLY A 29 -6.147 -0.295 -34.945 1.00 71.02 H new ATOM 427 N PHE A 30 -7.753 1.130 -33.053 1.00 11.41 N ATOM 428 CA PHE A 30 -8.615 1.209 -31.879 1.00 40.02 C ATOM 429 C PHE A 30 -8.616 2.620 -31.298 1.00 44.15 C ATOM 430 O PHE A 30 -8.992 2.828 -30.145 1.00 53.12 O ATOM 431 CB PHE A 30 -8.157 0.208 -30.816 1.00 53.13 C ATOM 432 CG PHE A 30 -9.153 0.012 -29.709 1.00 52.30 C ATOM 433 CD1 PHE A 30 -10.418 -0.486 -29.977 1.00 50.22 C ATOM 434 CD2 PHE A 30 -8.824 0.326 -28.400 1.00 73.21 C ATOM 435 CE1 PHE A 30 -11.336 -0.666 -28.960 1.00 74.12 C ATOM 436 CE2 PHE A 30 -9.738 0.147 -27.379 1.00 15.21 C ATOM 437 CZ PHE A 30 -10.996 -0.350 -27.659 1.00 62.54 C ATOM 0 H PHE A 30 -6.962 1.774 -33.040 1.00 11.41 H new ATOM 0 HA PHE A 30 -9.631 0.962 -32.188 1.00 40.02 H new ATOM 0 HB2 PHE A 30 -7.962 -0.753 -31.293 1.00 53.13 H new ATOM 0 HB3 PHE A 30 -7.214 0.549 -30.389 1.00 53.13 H new ATOM 0 HD1 PHE A 30 -10.689 -0.736 -30.992 1.00 50.22 H new ATOM 0 HD2 PHE A 30 -7.842 0.715 -28.175 1.00 73.21 H new ATOM 0 HE1 PHE A 30 -12.319 -1.054 -29.182 1.00 74.12 H new ATOM 0 HE2 PHE A 30 -9.469 0.396 -26.363 1.00 15.21 H new ATOM 0 HZ PHE A 30 -11.712 -0.491 -26.863 1.00 62.54 H new ATOM 447 N SER A 31 -8.190 3.586 -32.106 1.00 52.22 N ATOM 448 CA SER A 31 -8.137 4.977 -31.672 1.00 50.32 C ATOM 449 C SER A 31 -8.453 5.920 -32.830 1.00 22.14 C ATOM 450 O SER A 31 -9.175 6.904 -32.665 1.00 74.21 O ATOM 451 CB SER A 31 -6.757 5.302 -31.097 1.00 61.13 C ATOM 452 OG SER A 31 -6.837 5.593 -29.713 1.00 22.23 O ATOM 0 H SER A 31 -7.877 3.431 -33.064 1.00 52.22 H new ATOM 0 HA SER A 31 -8.889 5.118 -30.895 1.00 50.32 H new ATOM 0 HB2 SER A 31 -6.085 4.458 -31.256 1.00 61.13 H new ATOM 0 HB3 SER A 31 -6.330 6.154 -31.627 1.00 61.13 H new ATOM 0 HG SER A 31 -5.942 5.796 -29.369 1.00 22.23 H new ATOM 458 N LEU A 32 -7.906 5.612 -34.001 1.00 13.24 N ATOM 459 CA LEU A 32 -8.129 6.431 -35.187 1.00 63.14 C ATOM 460 C LEU A 32 -7.697 7.873 -34.943 1.00 11.33 C ATOM 461 O LEU A 32 -8.523 8.787 -34.932 1.00 65.33 O ATOM 462 CB LEU A 32 -9.604 6.389 -35.591 1.00 3.33 C ATOM 463 CG LEU A 32 -10.323 5.058 -35.369 1.00 42.15 C ATOM 464 CD1 LEU A 32 -11.793 5.177 -35.741 1.00 44.23 C ATOM 465 CD2 LEU A 32 -9.655 3.951 -36.173 1.00 14.50 C ATOM 0 H LEU A 32 -7.306 4.802 -34.154 1.00 13.24 H new ATOM 0 HA LEU A 32 -7.525 6.023 -35.998 1.00 63.14 H new ATOM 0 HB2 LEU A 32 -10.134 7.163 -35.036 1.00 3.33 H new ATOM 0 HB3 LEU A 32 -9.678 6.647 -36.647 1.00 3.33 H new ATOM 0 HG LEU A 32 -10.257 4.803 -34.311 1.00 42.15 H new ATOM 0 HD11 LEU A 32 -12.289 4.220 -35.577 1.00 44.23 H new ATOM 0 HD12 LEU A 32 -12.264 5.941 -35.122 1.00 44.23 H new ATOM 0 HD13 LEU A 32 -11.881 5.455 -36.791 1.00 44.23 H new ATOM 0 HD21 LEU A 32 -10.180 3.011 -36.003 1.00 14.50 H new ATOM 0 HD22 LEU A 32 -9.690 4.200 -37.234 1.00 14.50 H new ATOM 0 HD23 LEU A 32 -8.616 3.849 -35.859 1.00 14.50 H new ATOM 477 N LYS A 33 -6.398 8.072 -34.748 1.00 22.40 N ATOM 478 CA LYS A 33 -5.854 9.403 -34.507 1.00 32.11 C ATOM 479 C LYS A 33 -4.453 9.534 -35.096 1.00 74.42 C ATOM 480 O LYS A 33 -3.891 8.565 -35.604 1.00 60.43 O ATOM 481 CB LYS A 33 -5.817 9.697 -33.005 1.00 61.24 C ATOM 482 CG LYS A 33 -7.125 9.398 -32.295 1.00 15.35 C ATOM 483 CD LYS A 33 -6.988 9.545 -30.788 1.00 40.04 C ATOM 484 CE LYS A 33 -6.624 10.969 -30.398 1.00 42.31 C ATOM 485 NZ LYS A 33 -7.617 11.558 -29.457 1.00 25.52 N ATOM 0 H LYS A 33 -5.701 7.327 -34.752 1.00 22.40 H new ATOM 0 HA LYS A 33 -6.504 10.128 -34.997 1.00 32.11 H new ATOM 0 HB2 LYS A 33 -5.022 9.108 -32.547 1.00 61.24 H new ATOM 0 HB3 LYS A 33 -5.563 10.746 -32.855 1.00 61.24 H new ATOM 0 HG2 LYS A 33 -7.900 10.073 -32.658 1.00 15.35 H new ATOM 0 HG3 LYS A 33 -7.447 8.385 -32.535 1.00 15.35 H new ATOM 0 HD2 LYS A 33 -7.925 9.263 -30.307 1.00 40.04 H new ATOM 0 HD3 LYS A 33 -6.223 8.860 -30.423 1.00 40.04 H new ATOM 0 HE2 LYS A 33 -5.637 10.978 -29.936 1.00 42.31 H new ATOM 0 HE3 LYS A 33 -6.562 11.586 -31.294 1.00 42.31 H new ATOM 0 HZ1 LYS A 33 -7.333 12.529 -29.216 1.00 25.52 H new ATOM 0 HZ2 LYS A 33 -8.555 11.573 -29.907 1.00 25.52 H new ATOM 0 HZ3 LYS A 33 -7.658 10.984 -28.591 1.00 25.52 H new ATOM 499 N ASN A 34 -3.895 10.738 -35.023 1.00 75.30 N ATOM 500 CA ASN A 34 -2.560 10.994 -35.549 1.00 5.23 C ATOM 501 C ASN A 34 -2.093 12.401 -35.186 1.00 72.03 C ATOM 502 O ASN A 34 -2.899 13.261 -34.830 1.00 73.23 O ATOM 503 CB ASN A 34 -2.544 10.815 -37.068 1.00 44.11 C ATOM 504 CG ASN A 34 -3.683 11.548 -37.749 1.00 14.34 C ATOM 505 OD1 ASN A 34 -3.813 12.766 -37.627 1.00 14.44 O ATOM 506 ND2 ASN A 34 -4.516 10.807 -38.470 1.00 52.22 N ATOM 0 H ASN A 34 -4.347 11.551 -34.605 1.00 75.30 H new ATOM 0 HA ASN A 34 -1.875 10.275 -35.099 1.00 5.23 H new ATOM 0 HB2 ASN A 34 -1.595 11.177 -37.464 1.00 44.11 H new ATOM 0 HB3 ASN A 34 -2.605 9.753 -37.307 1.00 44.11 H new ATOM 0 HD21 ASN A 34 -5.302 11.245 -38.951 1.00 52.22 H new ATOM 0 HD22 ASN A 34 -4.370 9.800 -38.543 1.00 52.22 H new ATOM 513 N ASP A 35 -0.788 12.628 -35.280 1.00 63.02 N ATOM 514 CA ASP A 35 -0.214 13.931 -34.964 1.00 65.31 C ATOM 515 C ASP A 35 0.481 14.529 -36.184 1.00 20.34 C ATOM 516 O ASP A 35 1.382 13.918 -36.760 1.00 54.02 O ATOM 517 CB ASP A 35 0.778 13.807 -33.806 1.00 42.33 C ATOM 518 CG ASP A 35 0.799 15.043 -32.928 1.00 31.44 C ATOM 519 OD1 ASP A 35 -0.281 15.627 -32.699 1.00 72.04 O ATOM 520 OD2 ASP A 35 1.895 15.424 -32.467 1.00 50.43 O ATOM 0 H ASP A 35 -0.107 11.927 -35.572 1.00 63.02 H new ATOM 0 HA ASP A 35 -1.025 14.596 -34.668 1.00 65.31 H new ATOM 0 HB2 ASP A 35 0.518 12.939 -33.200 1.00 42.33 H new ATOM 0 HB3 ASP A 35 1.777 13.631 -34.204 1.00 42.33 H new ATOM 525 N CYS A 36 0.056 15.726 -36.572 1.00 51.22 N ATOM 526 CA CYS A 36 0.635 16.407 -37.724 1.00 10.11 C ATOM 527 C CYS A 36 2.152 16.507 -37.591 1.00 31.21 C ATOM 528 O CYS A 36 2.727 16.076 -36.592 1.00 21.44 O ATOM 529 CB CYS A 36 0.032 17.805 -37.872 1.00 41.43 C ATOM 530 SG CYS A 36 -0.904 18.052 -39.416 1.00 24.33 S ATOM 0 H CYS A 36 -0.688 16.245 -36.105 1.00 51.22 H new ATOM 0 HA CYS A 36 0.404 15.822 -38.614 1.00 10.11 H new ATOM 0 HB2 CYS A 36 -0.628 17.996 -37.025 1.00 41.43 H new ATOM 0 HB3 CYS A 36 0.834 18.542 -37.824 1.00 41.43 H new ATOM 0 HG CYS A 36 -1.593 16.982 -39.682 1.00 24.33 H new ATOM 535 N TRP A 37 2.792 17.078 -38.604 1.00 65.23 N ATOM 536 CA TRP A 37 4.243 17.234 -38.601 1.00 14.53 C ATOM 537 C TRP A 37 4.633 18.686 -38.346 1.00 54.32 C ATOM 538 O TRP A 37 3.775 19.539 -38.114 1.00 74.45 O ATOM 539 CB TRP A 37 4.831 16.761 -39.931 1.00 54.21 C ATOM 540 CG TRP A 37 3.905 16.958 -41.093 1.00 74.42 C ATOM 541 CD1 TRP A 37 3.330 15.982 -41.857 1.00 50.42 C ATOM 542 CD2 TRP A 37 3.448 18.207 -41.624 1.00 25.32 C ATOM 543 NE1 TRP A 37 2.544 16.550 -42.831 1.00 21.00 N ATOM 544 CE2 TRP A 37 2.599 17.913 -42.709 1.00 2.24 C ATOM 545 CE3 TRP A 37 3.673 19.544 -41.287 1.00 50.20 C ATOM 546 CZ2 TRP A 37 1.977 18.909 -43.457 1.00 62.22 C ATOM 547 CZ3 TRP A 37 3.055 20.531 -42.031 1.00 42.22 C ATOM 548 CH2 TRP A 37 2.215 20.210 -43.105 1.00 71.35 C ATOM 0 H TRP A 37 2.330 17.441 -39.438 1.00 65.23 H new ATOM 0 HA TRP A 37 4.648 16.621 -37.795 1.00 14.53 H new ATOM 0 HB2 TRP A 37 5.760 17.298 -40.121 1.00 54.21 H new ATOM 0 HB3 TRP A 37 5.084 15.704 -39.853 1.00 54.21 H new ATOM 0 HD1 TRP A 37 3.472 14.921 -41.716 1.00 50.42 H new ATOM 0 HE1 TRP A 37 2.007 16.039 -43.531 1.00 21.00 H new ATOM 0 HE3 TRP A 37 4.318 19.802 -40.460 1.00 50.20 H new ATOM 0 HZ2 TRP A 37 1.329 18.664 -44.286 1.00 62.22 H new ATOM 0 HZ3 TRP A 37 3.223 21.568 -41.780 1.00 42.22 H new ATOM 0 HH2 TRP A 37 1.746 21.005 -43.666 1.00 71.35 H new ATOM 559 N CYS A 38 5.932 18.962 -38.391 1.00 13.01 N ATOM 560 CA CYS A 38 6.436 20.311 -38.165 1.00 12.21 C ATOM 561 C CYS A 38 6.369 21.139 -39.445 1.00 75.54 C ATOM 562 O CYS A 38 6.447 20.601 -40.550 1.00 63.42 O ATOM 563 CB CYS A 38 7.877 20.261 -37.652 1.00 75.44 C ATOM 564 SG CYS A 38 9.028 19.379 -38.755 1.00 54.25 S ATOM 0 H CYS A 38 6.655 18.269 -38.582 1.00 13.01 H new ATOM 0 HA CYS A 38 5.806 20.785 -37.413 1.00 12.21 H new ATOM 0 HB2 CYS A 38 8.236 21.280 -37.509 1.00 75.44 H new ATOM 0 HB3 CYS A 38 7.887 19.780 -36.674 1.00 75.44 H new ATOM 569 N CYS A 39 6.223 22.450 -39.289 1.00 33.03 N ATOM 570 CA CYS A 39 6.144 23.353 -40.431 1.00 5.04 C ATOM 571 C CYS A 39 7.462 23.371 -41.201 1.00 75.11 C ATOM 572 O CYS A 39 8.386 22.619 -40.890 1.00 2.04 O ATOM 573 CB CYS A 39 5.794 24.768 -39.965 1.00 72.25 C ATOM 574 SG CYS A 39 4.045 24.987 -39.504 1.00 23.43 S ATOM 0 H CYS A 39 6.157 22.911 -38.382 1.00 33.03 H new ATOM 0 HA CYS A 39 5.359 22.992 -41.096 1.00 5.04 H new ATOM 0 HB2 CYS A 39 6.419 25.022 -39.109 1.00 72.25 H new ATOM 0 HB3 CYS A 39 6.040 25.472 -40.760 1.00 72.25 H new ATOM 579 N LEU A 40 7.540 24.234 -42.208 1.00 13.12 N ATOM 580 CA LEU A 40 8.743 24.351 -43.024 1.00 4.14 C ATOM 581 C LEU A 40 9.984 24.491 -42.147 1.00 12.40 C ATOM 582 O LEU A 40 10.861 23.628 -42.153 1.00 44.04 O ATOM 583 CB LEU A 40 8.631 25.552 -43.964 1.00 41.31 C ATOM 584 CG LEU A 40 9.052 25.311 -45.414 1.00 44.10 C ATOM 585 CD1 LEU A 40 8.178 26.113 -46.365 1.00 15.44 C ATOM 586 CD2 LEU A 40 10.519 25.665 -45.609 1.00 45.41 C ATOM 0 H LEU A 40 6.784 24.863 -42.479 1.00 13.12 H new ATOM 0 HA LEU A 40 8.840 23.442 -43.617 1.00 4.14 H new ATOM 0 HB2 LEU A 40 7.597 25.896 -43.959 1.00 41.31 H new ATOM 0 HB3 LEU A 40 9.238 26.362 -43.560 1.00 41.31 H new ATOM 0 HG LEU A 40 8.921 24.252 -45.639 1.00 44.10 H new ATOM 0 HD11 LEU A 40 8.493 25.928 -47.392 1.00 15.44 H new ATOM 0 HD12 LEU A 40 7.137 25.811 -46.245 1.00 15.44 H new ATOM 0 HD13 LEU A 40 8.276 27.175 -46.141 1.00 15.44 H new ATOM 0 HD21 LEU A 40 10.801 25.487 -46.647 1.00 45.41 H new ATOM 0 HD22 LEU A 40 10.675 26.716 -45.365 1.00 45.41 H new ATOM 0 HD23 LEU A 40 11.133 25.046 -44.955 1.00 45.41 H new ATOM 598 N ARG A 41 10.048 25.584 -41.392 1.00 63.54 N ATOM 599 CA ARG A 41 11.181 25.836 -40.509 1.00 54.34 C ATOM 600 C ARG A 41 10.806 26.833 -39.417 1.00 11.33 C ATOM 601 O ARG A 41 10.202 27.872 -39.689 1.00 63.23 O ATOM 602 CB ARG A 41 12.371 26.365 -41.311 1.00 5.22 C ATOM 603 CG ARG A 41 12.195 27.796 -41.791 1.00 52.34 C ATOM 604 CD ARG A 41 12.947 28.778 -40.907 1.00 1.03 C ATOM 605 NE ARG A 41 14.299 29.033 -41.398 1.00 33.43 N ATOM 606 CZ ARG A 41 15.240 29.636 -40.680 1.00 31.41 C ATOM 607 NH1 ARG A 41 14.978 30.043 -39.446 1.00 11.32 N ATOM 608 NH2 ARG A 41 16.446 29.831 -41.196 1.00 44.34 N ATOM 0 H ARG A 41 9.330 26.308 -41.374 1.00 63.54 H new ATOM 0 HA ARG A 41 11.460 24.894 -40.037 1.00 54.34 H new ATOM 0 HB2 ARG A 41 13.268 26.305 -40.695 1.00 5.22 H new ATOM 0 HB3 ARG A 41 12.533 25.719 -42.174 1.00 5.22 H new ATOM 0 HG2 ARG A 41 12.551 27.883 -42.817 1.00 52.34 H new ATOM 0 HG3 ARG A 41 11.135 28.050 -41.799 1.00 52.34 H new ATOM 0 HD2 ARG A 41 12.396 29.717 -40.858 1.00 1.03 H new ATOM 0 HD3 ARG A 41 12.998 28.386 -39.891 1.00 1.03 H new ATOM 0 HE ARG A 41 14.533 28.732 -42.344 1.00 33.43 H new ATOM 0 HH11 ARG A 41 14.052 29.893 -39.045 1.00 11.32 H new ATOM 0 HH12 ARG A 41 15.702 30.506 -38.897 1.00 11.32 H new ATOM 0 HH21 ARG A 41 16.651 29.518 -42.145 1.00 44.34 H new ATOM 0 HH22 ARG A 41 17.168 30.294 -40.644 1.00 44.34 H new ATOM 622 N LEU A 42 11.167 26.511 -38.180 1.00 21.42 N ATOM 623 CA LEU A 42 10.869 27.377 -37.045 1.00 12.41 C ATOM 624 C LEU A 42 11.978 27.308 -36.000 1.00 43.35 C ATOM 625 O LEU A 42 12.541 26.243 -35.746 1.00 11.12 O ATOM 626 CB LEU A 42 9.533 26.982 -36.413 1.00 52.14 C ATOM 627 CG LEU A 42 9.279 25.482 -36.264 1.00 73.43 C ATOM 628 CD1 LEU A 42 8.856 25.151 -34.841 1.00 70.45 C ATOM 629 CD2 LEU A 42 8.223 25.018 -37.258 1.00 3.22 C ATOM 0 H LEU A 42 11.667 25.656 -37.937 1.00 21.42 H new ATOM 0 HA LEU A 42 10.803 28.402 -37.410 1.00 12.41 H new ATOM 0 HB2 LEU A 42 9.471 27.441 -35.426 1.00 52.14 H new ATOM 0 HB3 LEU A 42 8.730 27.408 -37.014 1.00 52.14 H new ATOM 0 HG LEU A 42 10.208 24.953 -36.478 1.00 73.43 H new ATOM 0 HD11 LEU A 42 8.680 24.079 -34.754 1.00 70.45 H new ATOM 0 HD12 LEU A 42 9.645 25.446 -34.149 1.00 70.45 H new ATOM 0 HD13 LEU A 42 7.940 25.690 -34.599 1.00 70.45 H new ATOM 0 HD21 LEU A 42 8.055 23.948 -37.137 1.00 3.22 H new ATOM 0 HD22 LEU A 42 7.292 25.554 -37.076 1.00 3.22 H new ATOM 0 HD23 LEU A 42 8.565 25.220 -38.273 1.00 3.22 H new ATOM 641 N LYS A 43 12.287 28.451 -35.397 1.00 22.25 N ATOM 642 CA LYS A 43 13.327 28.521 -34.376 1.00 73.15 C ATOM 643 C LYS A 43 12.717 28.530 -32.978 1.00 42.12 C ATOM 644 O LYS A 43 13.359 28.128 -32.007 1.00 12.32 O ATOM 645 CB LYS A 43 14.185 29.772 -34.579 1.00 33.24 C ATOM 646 CG LYS A 43 13.524 31.048 -34.087 1.00 5.23 C ATOM 647 CD LYS A 43 13.971 31.400 -32.677 1.00 71.44 C ATOM 648 CE LYS A 43 13.727 32.868 -32.365 1.00 42.24 C ATOM 649 NZ LYS A 43 14.877 33.721 -32.775 1.00 64.40 N ATOM 0 H LYS A 43 11.832 29.342 -35.597 1.00 22.25 H new ATOM 0 HA LYS A 43 13.957 27.637 -34.472 1.00 73.15 H new ATOM 0 HB2 LYS A 43 15.134 29.640 -34.059 1.00 33.24 H new ATOM 0 HB3 LYS A 43 14.415 29.877 -35.639 1.00 33.24 H new ATOM 0 HG2 LYS A 43 13.767 31.868 -34.762 1.00 5.23 H new ATOM 0 HG3 LYS A 43 12.441 30.929 -34.107 1.00 5.23 H new ATOM 0 HD2 LYS A 43 13.434 30.780 -31.959 1.00 71.44 H new ATOM 0 HD3 LYS A 43 15.031 31.174 -32.563 1.00 71.44 H new ATOM 0 HE2 LYS A 43 12.825 33.203 -32.878 1.00 42.24 H new ATOM 0 HE3 LYS A 43 13.549 32.987 -31.296 1.00 42.24 H new ATOM 0 HZ1 LYS A 43 14.672 34.714 -32.545 1.00 64.40 H new ATOM 0 HZ2 LYS A 43 15.732 33.418 -32.267 1.00 64.40 H new ATOM 0 HZ3 LYS A 43 15.031 33.627 -33.799 1.00 64.40 H new ATOM 663 N THR A 44 11.473 28.990 -32.883 1.00 24.24 N ATOM 664 CA THR A 44 10.777 29.051 -31.604 1.00 23.24 C ATOM 665 C THR A 44 9.522 28.186 -31.619 1.00 52.42 C ATOM 666 O THR A 44 9.228 27.482 -30.653 1.00 63.33 O ATOM 667 CB THR A 44 10.387 30.497 -31.245 1.00 13.00 C ATOM 668 OG1 THR A 44 9.721 30.525 -29.977 1.00 60.35 O ATOM 669 CG2 THR A 44 9.481 31.093 -32.312 1.00 44.51 C ATOM 0 H THR A 44 10.927 29.326 -33.677 1.00 24.24 H new ATOM 0 HA THR A 44 11.467 28.671 -30.850 1.00 23.24 H new ATOM 0 HB THR A 44 11.298 31.093 -31.189 1.00 13.00 H new ATOM 0 HG1 THR A 44 9.478 31.448 -29.756 1.00 60.35 H new ATOM 0 HG21 THR A 44 9.218 32.115 -32.037 1.00 44.51 H new ATOM 0 HG22 THR A 44 10.001 31.097 -33.270 1.00 44.51 H new ATOM 0 HG23 THR A 44 8.574 30.495 -32.394 1.00 44.51 H new ATOM 677 N LYS A 45 8.783 28.244 -32.722 1.00 41.02 N ATOM 678 CA LYS A 45 7.559 27.465 -32.865 1.00 61.25 C ATOM 679 C LYS A 45 6.875 27.765 -34.196 1.00 5.14 C ATOM 680 O LYS A 45 6.248 26.890 -34.792 1.00 13.54 O ATOM 681 CB LYS A 45 6.602 27.763 -31.709 1.00 51.22 C ATOM 682 CG LYS A 45 5.179 27.297 -31.962 1.00 54.22 C ATOM 683 CD LYS A 45 4.280 27.577 -30.769 1.00 70.32 C ATOM 684 CE LYS A 45 4.689 26.752 -29.558 1.00 52.23 C ATOM 685 NZ LYS A 45 3.584 26.639 -28.566 1.00 4.23 N ATOM 0 H LYS A 45 9.011 28.823 -33.530 1.00 41.02 H new ATOM 0 HA LYS A 45 7.826 26.408 -32.844 1.00 61.25 H new ATOM 0 HB2 LYS A 45 6.977 27.283 -30.805 1.00 51.22 H new ATOM 0 HB3 LYS A 45 6.596 28.837 -31.521 1.00 51.22 H new ATOM 0 HG2 LYS A 45 4.782 27.800 -32.844 1.00 54.22 H new ATOM 0 HG3 LYS A 45 5.178 26.228 -32.177 1.00 54.22 H new ATOM 0 HD2 LYS A 45 4.324 28.637 -30.520 1.00 70.32 H new ATOM 0 HD3 LYS A 45 3.246 27.353 -31.031 1.00 70.32 H new ATOM 0 HE2 LYS A 45 4.990 25.756 -29.882 1.00 52.23 H new ATOM 0 HE3 LYS A 45 5.558 27.209 -29.084 1.00 52.23 H new ATOM 0 HZ1 LYS A 45 3.902 26.070 -27.756 1.00 4.23 H new ATOM 0 HZ2 LYS A 45 3.314 27.588 -28.238 1.00 4.23 H new ATOM 0 HZ3 LYS A 45 2.764 26.180 -29.011 1.00 4.23 H new ATOM 699 N GLN A 46 7.003 29.006 -34.655 1.00 24.23 N ATOM 700 CA GLN A 46 6.398 29.420 -35.915 1.00 61.30 C ATOM 701 C GLN A 46 7.383 30.230 -36.752 1.00 13.14 C ATOM 702 O GLN A 46 8.315 30.832 -36.220 1.00 41.11 O ATOM 703 CB GLN A 46 5.135 30.242 -35.653 1.00 5.42 C ATOM 704 CG GLN A 46 5.374 31.460 -34.774 1.00 62.14 C ATOM 705 CD GLN A 46 4.996 32.758 -35.460 1.00 72.35 C ATOM 706 OE1 GLN A 46 4.309 33.601 -34.883 1.00 42.33 O ATOM 707 NE2 GLN A 46 5.443 32.925 -36.700 1.00 20.24 N ATOM 0 H GLN A 46 7.520 29.742 -34.173 1.00 24.23 H new ATOM 0 HA GLN A 46 6.129 28.523 -36.472 1.00 61.30 H new ATOM 0 HB2 GLN A 46 4.719 30.568 -36.606 1.00 5.42 H new ATOM 0 HB3 GLN A 46 4.388 29.604 -35.181 1.00 5.42 H new ATOM 0 HG2 GLN A 46 4.798 31.358 -33.854 1.00 62.14 H new ATOM 0 HG3 GLN A 46 6.425 31.497 -34.489 1.00 62.14 H new ATOM 0 HE21 GLN A 46 6.010 32.200 -37.140 1.00 20.24 H new ATOM 0 HE22 GLN A 46 5.220 33.778 -37.212 1.00 20.24 H new ATOM 716 N ALA A 47 7.169 30.240 -38.063 1.00 52.22 N ATOM 717 CA ALA A 47 8.036 30.978 -38.973 1.00 64.10 C ATOM 718 C ALA A 47 7.580 30.816 -40.419 1.00 61.20 C ATOM 719 O ALA A 47 6.962 31.715 -40.989 1.00 42.13 O ATOM 720 CB ALA A 47 9.478 30.517 -38.818 1.00 20.14 C ATOM 0 H ALA A 47 6.402 29.745 -38.519 1.00 52.22 H new ATOM 0 HA ALA A 47 7.974 32.036 -38.716 1.00 64.10 H new ATOM 0 HB1 ALA A 47 10.115 31.076 -39.504 1.00 20.14 H new ATOM 0 HB2 ALA A 47 9.807 30.691 -37.794 1.00 20.14 H new ATOM 0 HB3 ALA A 47 9.546 29.453 -39.046 1.00 20.14 H new ATOM 726 N ARG A 48 7.889 29.665 -41.007 1.00 22.43 N ATOM 727 CA ARG A 48 7.512 29.386 -42.387 1.00 43.12 C ATOM 728 C ARG A 48 6.636 28.140 -42.471 1.00 33.13 C ATOM 729 O ARG A 48 7.048 27.050 -42.072 1.00 53.11 O ATOM 730 CB ARG A 48 8.761 29.203 -43.252 1.00 53.42 C ATOM 731 CG ARG A 48 9.724 30.377 -43.187 1.00 2.14 C ATOM 732 CD ARG A 48 10.851 30.230 -44.198 1.00 14.33 C ATOM 733 NE ARG A 48 10.474 30.737 -45.514 1.00 55.15 N ATOM 734 CZ ARG A 48 11.351 31.038 -46.465 1.00 62.22 C ATOM 735 NH1 ARG A 48 12.650 30.883 -46.246 1.00 74.14 N ATOM 736 NH2 ARG A 48 10.930 31.494 -47.638 1.00 64.01 N ATOM 0 H ARG A 48 8.400 28.910 -40.549 1.00 22.43 H new ATOM 0 HA ARG A 48 6.941 30.236 -42.760 1.00 43.12 H new ATOM 0 HB2 ARG A 48 9.282 28.299 -42.937 1.00 53.42 H new ATOM 0 HB3 ARG A 48 8.456 29.051 -44.287 1.00 53.42 H new ATOM 0 HG2 ARG A 48 9.183 31.304 -43.376 1.00 2.14 H new ATOM 0 HG3 ARG A 48 10.142 30.451 -42.183 1.00 2.14 H new ATOM 0 HD2 ARG A 48 11.730 30.766 -43.841 1.00 14.33 H new ATOM 0 HD3 ARG A 48 11.130 29.179 -44.280 1.00 14.33 H new ATOM 0 HE ARG A 48 9.482 30.867 -45.714 1.00 55.15 H new ATOM 0 HH11 ARG A 48 12.977 30.532 -45.346 1.00 74.14 H new ATOM 0 HH12 ARG A 48 13.322 31.115 -46.978 1.00 74.14 H new ATOM 0 HH21 ARG A 48 9.932 31.614 -47.810 1.00 64.01 H new ATOM 0 HH22 ARG A 48 11.605 31.725 -48.367 1.00 64.01 H new ATOM 750 N CYS A 49 5.425 28.309 -42.991 1.00 34.52 N ATOM 751 CA CYS A 49 4.489 27.199 -43.126 1.00 73.02 C ATOM 752 C CYS A 49 3.475 27.475 -44.233 1.00 34.43 C ATOM 753 O CYS A 49 3.389 28.590 -44.746 1.00 12.21 O ATOM 754 CB CYS A 49 3.762 26.953 -41.803 1.00 14.44 C ATOM 755 SG CYS A 49 3.355 25.205 -41.491 1.00 2.23 S ATOM 0 H CYS A 49 5.069 29.204 -43.326 1.00 34.52 H new ATOM 0 HA CYS A 49 5.057 26.307 -43.391 1.00 73.02 H new ATOM 0 HB2 CYS A 49 4.382 27.322 -40.986 1.00 14.44 H new ATOM 0 HB3 CYS A 49 2.841 27.537 -41.793 1.00 14.44 H new ATOM 760 N TRP A 50 2.710 26.451 -44.594 1.00 54.12 N ATOM 761 CA TRP A 50 1.701 26.583 -45.640 1.00 20.23 C ATOM 762 C TRP A 50 0.315 26.240 -45.105 1.00 70.32 C ATOM 763 O TRP A 50 0.109 25.174 -44.524 1.00 75.14 O ATOM 764 CB TRP A 50 2.043 25.677 -46.824 1.00 1.12 C ATOM 765 CG TRP A 50 2.337 24.263 -46.424 1.00 60.25 C ATOM 766 CD1 TRP A 50 1.520 23.180 -46.582 1.00 32.01 C ATOM 767 CD2 TRP A 50 3.531 23.779 -45.800 1.00 1.22 C ATOM 768 NE1 TRP A 50 2.134 22.052 -46.093 1.00 11.44 N ATOM 769 CE2 TRP A 50 3.369 22.393 -45.608 1.00 40.11 C ATOM 770 CE3 TRP A 50 4.722 24.382 -45.386 1.00 21.54 C ATOM 771 CZ2 TRP A 50 4.353 21.603 -45.020 1.00 0.24 C ATOM 772 CZ3 TRP A 50 5.698 23.596 -44.801 1.00 54.33 C ATOM 773 CH2 TRP A 50 5.509 22.219 -44.623 1.00 51.34 C ATOM 0 H TRP A 50 2.769 25.521 -44.179 1.00 54.12 H new ATOM 0 HA TRP A 50 1.694 27.620 -45.975 1.00 20.23 H new ATOM 0 HB2 TRP A 50 1.211 25.682 -47.529 1.00 1.12 H new ATOM 0 HB3 TRP A 50 2.907 26.086 -47.348 1.00 1.12 H new ATOM 0 HD1 TRP A 50 0.536 23.206 -47.026 1.00 32.01 H new ATOM 0 HE1 TRP A 50 1.735 21.113 -46.091 1.00 11.44 H new ATOM 0 HE3 TRP A 50 4.877 25.442 -45.520 1.00 21.54 H new ATOM 0 HZ2 TRP A 50 4.209 20.542 -44.882 1.00 0.24 H new ATOM 0 HZ3 TRP A 50 6.622 24.051 -44.476 1.00 54.33 H new ATOM 0 HH2 TRP A 50 6.291 21.632 -44.164 1.00 51.34 H new ATOM 784 N LYS A 51 -0.633 27.149 -45.305 1.00 31.02 N ATOM 785 CA LYS A 51 -2.001 26.942 -44.844 1.00 51.43 C ATOM 786 C LYS A 51 -2.706 25.886 -45.689 1.00 50.35 C ATOM 787 O LYS A 51 -2.594 25.883 -46.915 1.00 3.22 O ATOM 788 CB LYS A 51 -2.783 28.257 -44.896 1.00 45.21 C ATOM 789 CG LYS A 51 -3.548 28.561 -43.620 1.00 24.25 C ATOM 790 CD LYS A 51 -2.626 29.074 -42.526 1.00 30.02 C ATOM 791 CE LYS A 51 -2.546 30.593 -42.532 1.00 64.10 C ATOM 792 NZ LYS A 51 -2.617 31.158 -41.156 1.00 72.30 N ATOM 0 H LYS A 51 -0.479 28.037 -45.783 1.00 31.02 H new ATOM 0 HA LYS A 51 -1.961 26.590 -43.813 1.00 51.43 H new ATOM 0 HB2 LYS A 51 -2.090 29.074 -45.098 1.00 45.21 H new ATOM 0 HB3 LYS A 51 -3.484 28.220 -45.730 1.00 45.21 H new ATOM 0 HG2 LYS A 51 -4.319 29.304 -43.825 1.00 24.25 H new ATOM 0 HG3 LYS A 51 -4.056 27.660 -43.276 1.00 24.25 H new ATOM 0 HD2 LYS A 51 -2.985 28.731 -41.556 1.00 30.02 H new ATOM 0 HD3 LYS A 51 -1.629 28.655 -42.663 1.00 30.02 H new ATOM 0 HE2 LYS A 51 -1.615 30.906 -43.005 1.00 64.10 H new ATOM 0 HE3 LYS A 51 -3.361 30.997 -43.133 1.00 64.10 H new ATOM 0 HZ1 LYS A 51 -2.559 32.195 -41.203 1.00 72.30 H new ATOM 0 HZ2 LYS A 51 -3.516 30.881 -40.713 1.00 72.30 H new ATOM 0 HZ3 LYS A 51 -1.825 30.793 -40.589 1.00 72.30 H new ATOM 806 N GLU A 52 -3.433 24.993 -45.026 1.00 72.42 N ATOM 807 CA GLU A 52 -4.157 23.932 -45.718 1.00 44.33 C ATOM 808 C GLU A 52 -5.237 24.513 -46.626 1.00 1.51 C ATOM 809 O GLU A 52 -5.685 23.865 -47.572 1.00 23.12 O ATOM 810 CB GLU A 52 -4.787 22.971 -44.708 1.00 44.02 C ATOM 811 CG GLU A 52 -3.857 22.592 -43.567 1.00 73.14 C ATOM 812 CD GLU A 52 -4.294 23.179 -42.239 1.00 50.24 C ATOM 813 OE1 GLU A 52 -5.296 22.692 -41.675 1.00 64.11 O ATOM 814 OE2 GLU A 52 -3.633 24.127 -41.764 1.00 72.35 O ATOM 0 H GLU A 52 -3.537 24.982 -44.011 1.00 72.42 H new ATOM 0 HA GLU A 52 -3.445 23.384 -46.334 1.00 44.33 H new ATOM 0 HB2 GLU A 52 -5.686 23.429 -44.296 1.00 44.02 H new ATOM 0 HB3 GLU A 52 -5.100 22.065 -45.227 1.00 44.02 H new ATOM 0 HG2 GLU A 52 -3.814 21.506 -43.484 1.00 73.14 H new ATOM 0 HG3 GLU A 52 -2.848 22.934 -43.797 1.00 73.14 H new ATOM 821 N LYS A 53 -5.652 25.741 -46.331 1.00 21.32 N ATOM 822 CA LYS A 53 -6.679 26.412 -47.119 1.00 21.22 C ATOM 823 C LYS A 53 -6.115 26.890 -48.453 1.00 11.20 C ATOM 824 O LYS A 53 -6.783 26.810 -49.483 1.00 60.02 O ATOM 825 CB LYS A 53 -7.254 27.598 -46.341 1.00 64.02 C ATOM 826 CG LYS A 53 -6.209 28.624 -45.937 1.00 51.15 C ATOM 827 CD LYS A 53 -6.823 29.759 -45.135 1.00 32.33 C ATOM 828 CE LYS A 53 -6.479 31.114 -45.733 1.00 14.34 C ATOM 829 NZ LYS A 53 -7.580 32.100 -45.542 1.00 64.31 N ATOM 0 H LYS A 53 -5.292 26.292 -45.551 1.00 21.32 H new ATOM 0 HA LYS A 53 -7.476 25.695 -47.318 1.00 21.22 H new ATOM 0 HB2 LYS A 53 -8.015 28.087 -46.950 1.00 64.02 H new ATOM 0 HB3 LYS A 53 -7.752 27.227 -45.445 1.00 64.02 H new ATOM 0 HG2 LYS A 53 -5.431 28.139 -45.347 1.00 51.15 H new ATOM 0 HG3 LYS A 53 -5.728 29.026 -46.829 1.00 51.15 H new ATOM 0 HD2 LYS A 53 -7.906 29.639 -45.103 1.00 32.33 H new ATOM 0 HD3 LYS A 53 -6.466 29.713 -44.106 1.00 32.33 H new ATOM 0 HE2 LYS A 53 -5.567 31.494 -45.272 1.00 14.34 H new ATOM 0 HE3 LYS A 53 -6.274 31.000 -46.797 1.00 14.34 H new ATOM 0 HZ1 LYS A 53 -7.307 33.011 -45.963 1.00 64.31 H new ATOM 0 HZ2 LYS A 53 -8.444 31.750 -46.004 1.00 64.31 H new ATOM 0 HZ3 LYS A 53 -7.759 32.228 -44.526 1.00 64.31 H new ATOM 843 N GLU A 54 -4.882 27.386 -48.426 1.00 1.14 N ATOM 844 CA GLU A 54 -4.229 27.876 -49.634 1.00 54.20 C ATOM 845 C GLU A 54 -3.344 26.797 -50.250 1.00 61.02 C ATOM 846 O GLU A 54 -2.843 26.951 -51.364 1.00 62.42 O ATOM 847 CB GLU A 54 -3.394 29.119 -49.321 1.00 11.41 C ATOM 848 CG GLU A 54 -4.224 30.377 -49.127 1.00 40.44 C ATOM 849 CD GLU A 54 -4.442 31.137 -50.421 1.00 51.14 C ATOM 850 OE1 GLU A 54 -5.092 30.582 -51.332 1.00 52.11 O ATOM 851 OE2 GLU A 54 -3.963 32.286 -50.524 1.00 31.32 O ATOM 0 H GLU A 54 -4.315 27.459 -47.581 1.00 1.14 H new ATOM 0 HA GLU A 54 -5.004 28.140 -50.353 1.00 54.20 H new ATOM 0 HB2 GLU A 54 -2.810 28.936 -48.419 1.00 11.41 H new ATOM 0 HB3 GLU A 54 -2.685 29.283 -50.132 1.00 11.41 H new ATOM 0 HG2 GLU A 54 -5.190 30.108 -48.701 1.00 40.44 H new ATOM 0 HG3 GLU A 54 -3.728 31.028 -48.407 1.00 40.44 H new ATOM 858 N PHE A 55 -3.155 25.705 -49.517 1.00 31.12 N ATOM 859 CA PHE A 55 -2.329 24.600 -49.989 1.00 50.03 C ATOM 860 C PHE A 55 -2.973 23.258 -49.655 1.00 72.34 C ATOM 861 O PHE A 55 -3.093 22.870 -48.493 1.00 63.20 O ATOM 862 CB PHE A 55 -0.933 24.677 -49.368 1.00 1.11 C ATOM 863 CG PHE A 55 0.061 25.417 -50.217 1.00 21.21 C ATOM 864 CD1 PHE A 55 -0.066 26.781 -50.427 1.00 33.53 C ATOM 865 CD2 PHE A 55 1.123 24.749 -50.805 1.00 21.34 C ATOM 866 CE1 PHE A 55 0.847 27.463 -51.208 1.00 54.31 C ATOM 867 CE2 PHE A 55 2.039 25.426 -51.587 1.00 4.42 C ATOM 868 CZ PHE A 55 1.901 26.786 -51.788 1.00 24.32 C ATOM 0 H PHE A 55 -3.563 25.562 -48.593 1.00 31.12 H new ATOM 0 HA PHE A 55 -2.242 24.682 -51.072 1.00 50.03 H new ATOM 0 HB2 PHE A 55 -1.003 25.165 -48.396 1.00 1.11 H new ATOM 0 HB3 PHE A 55 -0.566 23.666 -49.191 1.00 1.11 H new ATOM 0 HD1 PHE A 55 -0.888 27.317 -49.975 1.00 33.53 H new ATOM 0 HD2 PHE A 55 1.236 23.686 -50.650 1.00 21.34 H new ATOM 0 HE1 PHE A 55 0.736 28.526 -51.365 1.00 54.31 H new ATOM 0 HE2 PHE A 55 2.862 24.893 -52.040 1.00 4.42 H new ATOM 0 HZ PHE A 55 2.616 27.318 -52.398 1.00 24.32 H new ATOM 878 N PRO A 56 -3.399 22.531 -50.699 1.00 35.31 N ATOM 879 CA PRO A 56 -4.039 21.221 -50.543 1.00 21.13 C ATOM 880 C PRO A 56 -3.060 20.151 -50.071 1.00 74.33 C ATOM 881 O PRO A 56 -3.450 19.186 -49.415 1.00 71.10 O ATOM 882 CB PRO A 56 -4.542 20.902 -51.953 1.00 34.45 C ATOM 883 CG PRO A 56 -3.649 21.676 -52.858 1.00 41.44 C ATOM 884 CD PRO A 56 -3.290 22.931 -52.112 1.00 4.23 C ATOM 0 HA PRO A 56 -4.826 21.238 -49.789 1.00 21.13 H new ATOM 0 HB2 PRO A 56 -4.486 19.833 -52.161 1.00 34.45 H new ATOM 0 HB3 PRO A 56 -5.584 21.197 -52.078 1.00 34.45 H new ATOM 0 HG2 PRO A 56 -2.757 21.103 -53.109 1.00 41.44 H new ATOM 0 HG3 PRO A 56 -4.152 21.910 -53.796 1.00 41.44 H new ATOM 0 HD2 PRO A 56 -2.284 23.270 -52.357 1.00 4.23 H new ATOM 0 HD3 PRO A 56 -3.969 23.749 -52.352 1.00 4.23 H new ATOM 892 N ASN A 57 -1.788 20.328 -50.410 1.00 44.53 N ATOM 893 CA ASN A 57 -0.753 19.377 -50.021 1.00 41.13 C ATOM 894 C ASN A 57 -0.657 19.269 -48.503 1.00 30.55 C ATOM 895 O ASN A 57 -0.344 18.207 -47.965 1.00 2.05 O ATOM 896 CB ASN A 57 0.599 19.798 -50.600 1.00 65.42 C ATOM 897 CG ASN A 57 1.093 18.842 -51.670 1.00 11.25 C ATOM 898 OD1 ASN A 57 1.472 19.260 -52.764 1.00 21.12 O ATOM 899 ND2 ASN A 57 1.090 17.552 -51.357 1.00 32.43 N ATOM 0 H ASN A 57 -1.449 21.122 -50.954 1.00 44.53 H new ATOM 0 HA ASN A 57 -1.023 18.400 -50.421 1.00 41.13 H new ATOM 0 HB2 ASN A 57 0.514 20.799 -51.022 1.00 65.42 H new ATOM 0 HB3 ASN A 57 1.334 19.852 -49.797 1.00 65.42 H new ATOM 0 HD21 ASN A 57 1.411 16.862 -52.036 1.00 32.43 H new ATOM 0 HD22 ASN A 57 0.767 17.251 -50.438 1.00 32.43 H new ATOM 906 N ALA A 58 -0.929 20.374 -47.817 1.00 55.24 N ATOM 907 CA ALA A 58 -0.877 20.403 -46.361 1.00 23.10 C ATOM 908 C ALA A 58 -1.805 19.354 -45.757 1.00 43.32 C ATOM 909 O ALA A 58 -1.403 18.581 -44.888 1.00 65.41 O ATOM 910 CB ALA A 58 -1.238 21.789 -45.847 1.00 63.30 C ATOM 0 H ALA A 58 -1.188 21.262 -48.247 1.00 55.24 H new ATOM 0 HA ALA A 58 0.142 20.168 -46.054 1.00 23.10 H new ATOM 0 HB1 ALA A 58 -1.195 21.796 -44.758 1.00 63.30 H new ATOM 0 HB2 ALA A 58 -0.532 22.519 -46.243 1.00 63.30 H new ATOM 0 HB3 ALA A 58 -2.246 22.046 -46.172 1.00 63.30 H new ATOM 916 N LYS A 59 -3.049 19.334 -46.223 1.00 11.15 N ATOM 917 CA LYS A 59 -4.035 18.380 -45.729 1.00 55.34 C ATOM 918 C LYS A 59 -3.681 16.960 -46.159 1.00 10.14 C ATOM 919 O LYS A 59 -3.849 16.011 -45.393 1.00 50.35 O ATOM 920 CB LYS A 59 -5.430 18.746 -46.242 1.00 51.43 C ATOM 921 CG LYS A 59 -6.529 17.838 -45.718 1.00 63.24 C ATOM 922 CD LYS A 59 -7.320 17.209 -46.853 1.00 33.44 C ATOM 923 CE LYS A 59 -6.745 15.859 -47.252 1.00 64.32 C ATOM 924 NZ LYS A 59 -7.809 14.901 -47.660 1.00 32.50 N ATOM 0 H LYS A 59 -3.398 19.967 -46.942 1.00 11.15 H new ATOM 0 HA LYS A 59 -4.032 18.423 -44.640 1.00 55.34 H new ATOM 0 HB2 LYS A 59 -5.654 19.774 -45.958 1.00 51.43 H new ATOM 0 HB3 LYS A 59 -5.428 18.709 -47.331 1.00 51.43 H new ATOM 0 HG2 LYS A 59 -6.091 17.054 -45.100 1.00 63.24 H new ATOM 0 HG3 LYS A 59 -7.201 18.410 -45.078 1.00 63.24 H new ATOM 0 HD2 LYS A 59 -8.360 17.087 -46.549 1.00 33.44 H new ATOM 0 HD3 LYS A 59 -7.315 17.877 -47.715 1.00 33.44 H new ATOM 0 HE2 LYS A 59 -6.042 15.993 -48.074 1.00 64.32 H new ATOM 0 HE3 LYS A 59 -6.183 15.443 -46.416 1.00 64.32 H new ATOM 0 HZ1 LYS A 59 -7.376 13.993 -47.924 1.00 32.50 H new ATOM 0 HZ2 LYS A 59 -8.466 14.753 -46.867 1.00 32.50 H new ATOM 0 HZ3 LYS A 59 -8.330 15.286 -48.474 1.00 32.50 H new ATOM 938 N GLU A 60 -3.189 16.823 -47.386 1.00 0.00 N ATOM 939 CA GLU A 60 -2.811 15.518 -47.915 1.00 65.01 C ATOM 940 C GLU A 60 -1.658 14.919 -47.114 1.00 0.42 C ATOM 941 O GLU A 60 -1.693 13.748 -46.734 1.00 12.21 O ATOM 942 CB GLU A 60 -2.415 15.636 -49.389 1.00 21.55 C ATOM 943 CG GLU A 60 -3.602 15.749 -50.330 1.00 42.13 C ATOM 944 CD GLU A 60 -3.236 15.442 -51.769 1.00 72.14 C ATOM 945 OE1 GLU A 60 -2.685 16.336 -52.445 1.00 4.24 O ATOM 946 OE2 GLU A 60 -3.501 14.308 -52.221 1.00 14.25 O ATOM 0 H GLU A 60 -3.043 17.599 -48.032 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.673 14.856 -47.829 1.00 65.01 H new ATOM 0 HB2 GLU A 60 -1.777 16.510 -49.516 1.00 21.55 H new ATOM 0 HB3 GLU A 60 -1.822 14.765 -49.668 1.00 21.55 H new ATOM 0 HG2 GLU A 60 -4.386 15.065 -50.004 1.00 42.13 H new ATOM 0 HG3 GLU A 60 -4.014 16.757 -50.271 1.00 42.13 H new ATOM 953 N LEU A 61 -0.637 15.731 -46.861 1.00 31.10 N ATOM 954 CA LEU A 61 0.528 15.283 -46.105 1.00 75.33 C ATOM 955 C LEU A 61 0.150 14.961 -44.663 1.00 32.20 C ATOM 956 O LEU A 61 0.514 13.910 -44.134 1.00 71.12 O ATOM 957 CB LEU A 61 1.620 16.353 -46.132 1.00 10.13 C ATOM 958 CG LEU A 61 2.106 16.782 -47.517 1.00 12.34 C ATOM 959 CD1 LEU A 61 2.509 18.249 -47.510 1.00 73.31 C ATOM 960 CD2 LEU A 61 3.268 15.910 -47.968 1.00 60.01 C ATOM 0 H LEU A 61 -0.592 16.703 -47.168 1.00 31.10 H new ATOM 0 HA LEU A 61 0.907 14.374 -46.573 1.00 75.33 H new ATOM 0 HB2 LEU A 61 1.249 17.235 -45.610 1.00 10.13 H new ATOM 0 HB3 LEU A 61 2.476 15.984 -45.567 1.00 10.13 H new ATOM 0 HG LEU A 61 1.287 16.655 -48.224 1.00 12.34 H new ATOM 0 HD11 LEU A 61 2.852 18.537 -48.504 1.00 73.31 H new ATOM 0 HD12 LEU A 61 1.651 18.861 -47.231 1.00 73.31 H new ATOM 0 HD13 LEU A 61 3.313 18.402 -46.790 1.00 73.31 H new ATOM 0 HD21 LEU A 61 3.601 16.230 -48.956 1.00 60.01 H new ATOM 0 HD22 LEU A 61 4.091 16.005 -47.259 1.00 60.01 H new ATOM 0 HD23 LEU A 61 2.946 14.870 -48.013 1.00 60.01 H new ATOM 972 N CYS A 62 -0.584 15.871 -44.032 1.00 12.02 N ATOM 973 CA CYS A 62 -1.014 15.684 -42.651 1.00 44.42 C ATOM 974 C CYS A 62 -1.825 14.400 -42.503 1.00 2.54 C ATOM 975 O CYS A 62 -1.619 13.628 -41.566 1.00 51.11 O ATOM 976 CB CYS A 62 -1.845 16.882 -42.187 1.00 43.32 C ATOM 977 SG CYS A 62 -1.660 17.275 -40.418 1.00 44.31 S ATOM 0 H CYS A 62 -0.894 16.746 -44.455 1.00 12.02 H new ATOM 0 HA CYS A 62 -0.124 15.604 -42.027 1.00 44.42 H new ATOM 0 HB2 CYS A 62 -1.562 17.756 -42.774 1.00 43.32 H new ATOM 0 HB3 CYS A 62 -2.896 16.684 -42.396 1.00 43.32 H new ATOM 0 HG CYS A 62 -0.744 18.185 -40.269 1.00 44.31 H new ATOM 982 N PHE A 63 -2.747 14.179 -43.433 1.00 52.03 N ATOM 983 CA PHE A 63 -3.590 12.989 -43.406 1.00 53.42 C ATOM 984 C PHE A 63 -2.803 11.755 -43.835 1.00 23.22 C ATOM 985 O PHE A 63 -3.121 10.634 -43.439 1.00 11.01 O ATOM 986 CB PHE A 63 -4.803 13.177 -44.320 1.00 11.10 C ATOM 987 CG PHE A 63 -5.992 13.774 -43.623 1.00 11.20 C ATOM 988 CD1 PHE A 63 -5.882 14.978 -42.945 1.00 74.34 C ATOM 989 CD2 PHE A 63 -7.219 13.131 -43.645 1.00 14.41 C ATOM 990 CE1 PHE A 63 -6.975 15.530 -42.303 1.00 43.12 C ATOM 991 CE2 PHE A 63 -8.315 13.679 -43.005 1.00 12.10 C ATOM 992 CZ PHE A 63 -8.192 14.879 -42.332 1.00 54.23 C ATOM 0 H PHE A 63 -2.930 14.808 -44.215 1.00 52.03 H new ATOM 0 HA PHE A 63 -3.934 12.841 -42.382 1.00 53.42 H new ATOM 0 HB2 PHE A 63 -4.522 13.818 -45.156 1.00 11.10 H new ATOM 0 HB3 PHE A 63 -5.085 12.211 -44.740 1.00 11.10 H new ATOM 0 HD1 PHE A 63 -4.932 15.491 -42.918 1.00 74.34 H new ATOM 0 HD2 PHE A 63 -7.320 12.191 -44.168 1.00 14.41 H new ATOM 0 HE1 PHE A 63 -6.877 16.469 -41.779 1.00 43.12 H new ATOM 0 HE2 PHE A 63 -9.267 13.169 -43.031 1.00 12.10 H new ATOM 0 HZ PHE A 63 -9.047 15.307 -41.829 1.00 54.23 H new ATOM 1002 N ALA A 64 -1.773 11.970 -44.647 1.00 71.33 N ATOM 1003 CA ALA A 64 -0.939 10.876 -45.129 1.00 22.10 C ATOM 1004 C ALA A 64 0.115 10.493 -44.096 1.00 3.34 C ATOM 1005 O ALA A 64 0.693 9.409 -44.157 1.00 44.22 O ATOM 1006 CB ALA A 64 -0.277 11.257 -46.445 1.00 21.01 C ATOM 0 H ALA A 64 -1.496 12.892 -44.985 1.00 71.33 H new ATOM 0 HA ALA A 64 -1.579 10.010 -45.295 1.00 22.10 H new ATOM 0 HB1 ALA A 64 0.343 10.431 -46.793 1.00 21.01 H new ATOM 0 HB2 ALA A 64 -1.044 11.474 -47.189 1.00 21.01 H new ATOM 0 HB3 ALA A 64 0.345 12.140 -46.297 1.00 21.01 H new ATOM 1012 N ASN A 65 0.361 11.391 -43.147 1.00 52.41 N ATOM 1013 CA ASN A 65 1.347 11.148 -42.101 1.00 20.23 C ATOM 1014 C ASN A 65 1.126 9.785 -41.451 1.00 71.04 C ATOM 1015 O ASN A 65 0.003 9.433 -41.088 1.00 23.11 O ATOM 1016 CB ASN A 65 1.278 12.248 -41.040 1.00 31.03 C ATOM 1017 CG ASN A 65 0.320 11.907 -39.915 1.00 21.35 C ATOM 1018 OD1 ASN A 65 -0.859 11.641 -40.147 1.00 72.05 O ATOM 1019 ND2 ASN A 65 0.824 11.913 -38.686 1.00 64.11 N ATOM 0 H ASN A 65 -0.109 12.294 -43.081 1.00 52.41 H new ATOM 0 HA ASN A 65 2.336 11.156 -42.560 1.00 20.23 H new ATOM 0 HB2 ASN A 65 2.273 12.415 -40.628 1.00 31.03 H new ATOM 0 HB3 ASN A 65 0.967 13.182 -41.508 1.00 31.03 H new ATOM 0 HD21 ASN A 65 0.227 11.691 -37.889 1.00 64.11 H new ATOM 0 HD22 ASN A 65 1.808 12.139 -38.539 1.00 64.11 H new ATOM 1026 N CYS A 66 2.204 9.022 -41.308 1.00 44.12 N ATOM 1027 CA CYS A 66 2.130 7.698 -40.703 1.00 21.12 C ATOM 1028 C CYS A 66 3.503 7.033 -40.679 1.00 23.11 C ATOM 1029 O CYS A 66 4.381 7.334 -41.488 1.00 74.15 O ATOM 1030 CB CYS A 66 1.139 6.819 -41.468 1.00 51.14 C ATOM 1031 SG CYS A 66 -0.399 6.466 -40.558 1.00 51.21 S ATOM 0 H CYS A 66 3.140 9.298 -41.603 1.00 44.12 H new ATOM 0 HA CYS A 66 1.784 7.815 -39.676 1.00 21.12 H new ATOM 0 HB2 CYS A 66 0.887 7.308 -42.409 1.00 51.14 H new ATOM 0 HB3 CYS A 66 1.625 5.876 -41.719 1.00 51.14 H new ATOM 1036 N PRO A 67 3.695 6.106 -39.728 1.00 43.14 N ATOM 1037 CA PRO A 67 4.959 5.378 -39.576 1.00 54.41 C ATOM 1038 C PRO A 67 5.205 4.399 -40.719 1.00 32.15 C ATOM 1039 O PRO A 67 4.313 4.097 -41.512 1.00 45.04 O ATOM 1040 CB PRO A 67 4.777 4.625 -38.256 1.00 2.32 C ATOM 1041 CG PRO A 67 3.303 4.471 -38.107 1.00 51.21 C ATOM 1042 CD PRO A 67 2.694 5.697 -38.730 1.00 34.14 C ATOM 0 HA PRO A 67 5.819 6.047 -39.586 1.00 54.41 H new ATOM 0 HB2 PRO A 67 5.276 3.656 -38.281 1.00 2.32 H new ATOM 0 HB3 PRO A 67 5.203 5.181 -37.421 1.00 2.32 H new ATOM 0 HG2 PRO A 67 2.953 3.566 -38.603 1.00 51.21 H new ATOM 0 HG3 PRO A 67 3.023 4.387 -37.057 1.00 51.21 H new ATOM 0 HD2 PRO A 67 1.732 5.477 -39.193 1.00 34.14 H new ATOM 0 HD3 PRO A 67 2.521 6.479 -37.991 1.00 34.14 H new ATOM 1050 N PRO A 68 6.442 3.889 -40.806 1.00 4.22 N ATOM 1051 CA PRO A 68 6.834 2.935 -41.848 1.00 10.15 C ATOM 1052 C PRO A 68 6.179 1.571 -41.660 1.00 25.34 C ATOM 1053 O PRO A 68 5.331 1.393 -40.784 1.00 62.23 O ATOM 1054 CB PRO A 68 8.352 2.828 -41.678 1.00 55.02 C ATOM 1055 CG PRO A 68 8.600 3.185 -40.253 1.00 51.04 C ATOM 1056 CD PRO A 68 7.555 4.205 -39.894 1.00 33.43 C ATOM 0 HA PRO A 68 6.525 3.264 -42.840 1.00 10.15 H new ATOM 0 HB2 PRO A 68 8.705 1.821 -41.901 1.00 55.02 H new ATOM 0 HB3 PRO A 68 8.875 3.506 -42.353 1.00 55.02 H new ATOM 0 HG2 PRO A 68 8.525 2.307 -39.612 1.00 51.04 H new ATOM 0 HG3 PRO A 68 9.603 3.591 -40.121 1.00 51.04 H new ATOM 0 HD2 PRO A 68 7.255 4.122 -38.850 1.00 33.43 H new ATOM 0 HD3 PRO A 68 7.919 5.222 -40.041 1.00 33.43 H new ATOM 1064 N LEU A 69 6.578 0.610 -42.486 1.00 23.35 N ATOM 1065 CA LEU A 69 6.031 -0.740 -42.410 1.00 35.31 C ATOM 1066 C LEU A 69 6.786 -1.578 -41.383 1.00 44.15 C ATOM 1067 O LEU A 69 7.488 -2.525 -41.737 1.00 75.32 O ATOM 1068 CB LEU A 69 6.093 -1.415 -43.781 1.00 42.24 C ATOM 1069 CG LEU A 69 5.778 -0.523 -44.983 1.00 25.10 C ATOM 1070 CD1 LEU A 69 5.763 -1.341 -46.265 1.00 42.11 C ATOM 1071 CD2 LEU A 69 4.447 0.187 -44.786 1.00 4.54 C ATOM 0 H LEU A 69 7.278 0.741 -43.216 1.00 23.35 H new ATOM 0 HA LEU A 69 4.990 -0.666 -42.095 1.00 35.31 H new ATOM 0 HB2 LEU A 69 7.092 -1.831 -43.914 1.00 42.24 H new ATOM 0 HB3 LEU A 69 5.396 -2.253 -43.783 1.00 42.24 H new ATOM 0 HG LEU A 69 6.560 0.231 -45.066 1.00 25.10 H new ATOM 0 HD11 LEU A 69 5.537 -0.690 -47.109 1.00 42.11 H new ATOM 0 HD12 LEU A 69 6.739 -1.803 -46.414 1.00 42.11 H new ATOM 0 HD13 LEU A 69 5.002 -2.118 -46.192 1.00 42.11 H new ATOM 0 HD21 LEU A 69 4.239 0.817 -45.651 1.00 4.54 H new ATOM 0 HD22 LEU A 69 3.653 -0.552 -44.676 1.00 4.54 H new ATOM 0 HD23 LEU A 69 4.494 0.805 -43.889 1.00 4.54 H new ATOM 1083 N GLU A 70 6.637 -1.223 -40.111 1.00 54.32 N ATOM 1084 CA GLU A 70 7.305 -1.943 -39.034 1.00 35.32 C ATOM 1085 C GLU A 70 6.290 -2.665 -38.151 1.00 41.21 C ATOM 1086 O GLU A 70 5.388 -3.338 -38.648 1.00 63.15 O ATOM 1087 CB GLU A 70 8.140 -0.980 -38.187 1.00 72.54 C ATOM 1088 CG GLU A 70 9.302 -1.650 -37.473 1.00 11.52 C ATOM 1089 CD GLU A 70 10.582 -1.618 -38.285 1.00 2.33 C ATOM 1090 OE1 GLU A 70 10.717 -2.442 -39.213 1.00 43.42 O ATOM 1091 OE2 GLU A 70 11.449 -0.768 -37.991 1.00 22.00 O ATOM 0 H GLU A 70 6.060 -0.441 -39.801 1.00 54.32 H new ATOM 0 HA GLU A 70 7.965 -2.686 -39.483 1.00 35.32 H new ATOM 0 HB2 GLU A 70 8.526 -0.187 -38.828 1.00 72.54 H new ATOM 0 HB3 GLU A 70 7.494 -0.506 -37.448 1.00 72.54 H new ATOM 0 HG2 GLU A 70 9.470 -1.155 -36.517 1.00 11.52 H new ATOM 0 HG3 GLU A 70 9.041 -2.685 -37.254 1.00 11.52 H new