USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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 73:sc= -23.3! USER MOD Set 1.2: A 62 CYS SG : rot 25:sc= -23.2! USER MOD Set 2.1: A 21 CYS SG : rot -77:sc= -19.8! USER MOD Set 2.2: A 38 CYS SG : rot -30:sc= -29.8! USER MOD Single : A 13 SER OG : rot 180:sc= 0.0744 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 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 27 SER OG : rot -165:sc= -0.795 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= -0.0346 X(o=-0.035,f=-0.049) 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= -0.125 X(o=-0.13,f=-0.0061) 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= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= -0.0585 (180deg=-0.374) USER MOD Single : A 65 ASN : amide:sc= -0.717 K(o=-0.72,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 -4.311 5.713 -18.909 1.00 51.31 N ATOM 171 CA ARG A 12 -2.958 5.348 -19.310 1.00 41.13 C ATOM 172 C ARG A 12 -2.905 5.008 -20.797 1.00 3.01 C ATOM 173 O ARG A 12 -2.679 3.858 -21.173 1.00 71.11 O ATOM 174 CB ARG A 12 -2.462 4.158 -18.486 1.00 52.50 C ATOM 175 CG ARG A 12 -2.015 4.534 -17.083 1.00 35.14 C ATOM 176 CD ARG A 12 -1.298 3.380 -16.399 1.00 42.42 C ATOM 177 NE ARG A 12 -2.233 2.408 -15.840 1.00 12.21 N ATOM 178 CZ ARG A 12 -1.860 1.372 -15.098 1.00 23.40 C ATOM 179 NH1 ARG A 12 -0.577 1.174 -14.827 1.00 41.02 N ATOM 180 NH2 ARG A 12 -2.770 0.530 -14.625 1.00 12.42 N ATOM 0 HA ARG A 12 -2.308 6.204 -19.127 1.00 41.13 H new ATOM 0 HB2 ARG A 12 -3.258 3.417 -18.418 1.00 52.50 H new ATOM 0 HB3 ARG A 12 -1.630 3.686 -19.009 1.00 52.50 H new ATOM 0 HG2 ARG A 12 -1.353 5.398 -17.130 1.00 35.14 H new ATOM 0 HG3 ARG A 12 -2.881 4.828 -16.490 1.00 35.14 H new ATOM 0 HD2 ARG A 12 -0.645 2.883 -17.116 1.00 42.42 H new ATOM 0 HD3 ARG A 12 -0.661 3.769 -15.604 1.00 42.42 H new ATOM 0 HE ARG A 12 -3.228 2.532 -16.030 1.00 12.21 H new ATOM 0 HH11 ARG A 12 0.126 1.818 -15.189 1.00 41.02 H new ATOM 0 HH12 ARG A 12 -0.293 0.377 -14.257 1.00 41.02 H new ATOM 0 HH21 ARG A 12 -3.758 0.678 -14.831 1.00 12.42 H new ATOM 0 HH22 ARG A 12 -2.482 -0.265 -14.055 1.00 12.42 H new ATOM 194 N SER A 13 -3.115 6.016 -21.637 1.00 44.22 N ATOM 195 CA SER A 13 -3.095 5.823 -23.082 1.00 41.55 C ATOM 196 C SER A 13 -1.679 5.540 -23.574 1.00 25.15 C ATOM 197 O SER A 13 -0.730 5.522 -22.789 1.00 62.04 O ATOM 198 CB SER A 13 -3.655 7.059 -23.791 1.00 24.33 C ATOM 199 OG SER A 13 -4.358 7.891 -22.885 1.00 35.31 O ATOM 0 H SER A 13 -3.301 6.975 -21.342 1.00 44.22 H new ATOM 0 HA SER A 13 -3.721 4.962 -23.317 1.00 41.55 H new ATOM 0 HB2 SER A 13 -2.840 7.620 -24.248 1.00 24.33 H new ATOM 0 HB3 SER A 13 -4.320 6.750 -24.597 1.00 24.33 H new ATOM 0 HG SER A 13 -4.704 8.674 -23.361 1.00 35.31 H new ATOM 205 N SER A 14 -1.544 5.319 -24.877 1.00 72.43 N ATOM 206 CA SER A 14 -0.245 5.032 -25.474 1.00 21.20 C ATOM 207 C SER A 14 0.330 6.275 -26.146 1.00 64.31 C ATOM 208 O SER A 14 0.974 6.188 -27.192 1.00 2.10 O ATOM 209 CB SER A 14 -0.367 3.897 -26.493 1.00 54.53 C ATOM 210 OG SER A 14 -0.350 2.633 -25.854 1.00 12.03 O ATOM 0 H SER A 14 -2.319 5.333 -25.540 1.00 72.43 H new ATOM 0 HA SER A 14 0.433 4.724 -24.678 1.00 21.20 H new ATOM 0 HB2 SER A 14 -1.292 4.010 -27.058 1.00 54.53 H new ATOM 0 HB3 SER A 14 0.453 3.957 -27.209 1.00 54.53 H new ATOM 0 HG SER A 14 -0.431 1.925 -26.527 1.00 12.03 H new ATOM 216 N LYS A 15 0.094 7.432 -25.537 1.00 75.25 N ATOM 217 CA LYS A 15 0.588 8.694 -26.074 1.00 11.31 C ATOM 218 C LYS A 15 2.108 8.769 -25.976 1.00 2.15 C ATOM 219 O LYS A 15 2.702 8.279 -25.015 1.00 21.33 O ATOM 220 CB LYS A 15 -0.041 9.871 -25.325 1.00 2.52 C ATOM 221 CG LYS A 15 0.570 10.117 -23.956 1.00 13.21 C ATOM 222 CD LYS A 15 0.035 9.139 -22.923 1.00 41.12 C ATOM 223 CE LYS A 15 1.051 8.052 -22.606 1.00 41.44 C ATOM 224 NZ LYS A 15 0.992 7.638 -21.177 1.00 64.13 N ATOM 0 H LYS A 15 -0.437 7.522 -24.671 1.00 75.25 H new ATOM 0 HA LYS A 15 0.306 8.748 -27.126 1.00 11.31 H new ATOM 0 HB2 LYS A 15 0.065 10.773 -25.928 1.00 2.52 H new ATOM 0 HB3 LYS A 15 -1.109 9.688 -25.209 1.00 2.52 H new ATOM 0 HG2 LYS A 15 1.654 10.025 -24.019 1.00 13.21 H new ATOM 0 HG3 LYS A 15 0.355 11.137 -23.638 1.00 13.21 H new ATOM 0 HD2 LYS A 15 -0.221 9.676 -22.010 1.00 41.12 H new ATOM 0 HD3 LYS A 15 -0.883 8.683 -23.293 1.00 41.12 H new ATOM 0 HE2 LYS A 15 0.868 7.187 -23.243 1.00 41.44 H new ATOM 0 HE3 LYS A 15 2.053 8.412 -22.839 1.00 41.44 H new ATOM 0 HZ1 LYS A 15 1.699 6.896 -21.001 1.00 64.13 H new ATOM 0 HZ2 LYS A 15 1.192 8.458 -20.569 1.00 64.13 H new ATOM 0 HZ3 LYS A 15 0.043 7.270 -20.961 1.00 64.13 H new ATOM 238 N ILE A 16 2.731 9.386 -26.974 1.00 4.55 N ATOM 239 CA ILE A 16 4.182 9.527 -26.997 1.00 0.20 C ATOM 240 C ILE A 16 4.623 10.498 -28.087 1.00 15.51 C ATOM 241 O ILE A 16 3.816 10.929 -28.912 1.00 31.41 O ATOM 242 CB ILE A 16 4.876 8.171 -27.223 1.00 33.12 C ATOM 243 CG1 ILE A 16 3.929 7.201 -27.933 1.00 12.04 C ATOM 244 CG2 ILE A 16 5.344 7.588 -25.898 1.00 13.24 C ATOM 245 CD1 ILE A 16 4.604 5.931 -28.401 1.00 43.44 C ATOM 0 H ILE A 16 2.254 9.796 -27.777 1.00 4.55 H new ATOM 0 HA ILE A 16 4.476 9.919 -26.023 1.00 0.20 H new ATOM 0 HB ILE A 16 5.749 8.327 -27.857 1.00 33.12 H new ATOM 0 HG12 ILE A 16 3.114 6.942 -27.257 1.00 12.04 H new ATOM 0 HG13 ILE A 16 3.484 7.704 -28.792 1.00 12.04 H new ATOM 0 HG21 ILE A 16 5.832 6.630 -26.074 1.00 13.24 H new ATOM 0 HG22 ILE A 16 6.049 8.273 -25.428 1.00 13.24 H new ATOM 0 HG23 ILE A 16 4.486 7.443 -25.241 1.00 13.24 H new ATOM 0 HD11 ILE A 16 3.873 5.291 -28.895 1.00 43.44 H new ATOM 0 HD12 ILE A 16 5.401 6.180 -29.102 1.00 43.44 H new ATOM 0 HD13 ILE A 16 5.025 5.406 -27.544 1.00 43.44 H new ATOM 257 N ILE A 17 5.907 10.838 -28.085 1.00 0.31 N ATOM 258 CA ILE A 17 6.455 11.756 -29.075 1.00 43.45 C ATOM 259 C ILE A 17 7.403 11.035 -30.028 1.00 52.42 C ATOM 260 O ILE A 17 7.841 9.916 -29.757 1.00 54.33 O ATOM 261 CB ILE A 17 7.207 12.923 -28.407 1.00 31.30 C ATOM 262 CG1 ILE A 17 8.349 12.391 -27.539 1.00 2.12 C ATOM 263 CG2 ILE A 17 6.249 13.763 -27.575 1.00 61.34 C ATOM 264 CD1 ILE A 17 7.942 12.111 -26.109 1.00 72.13 C ATOM 0 H ILE A 17 6.587 10.491 -27.409 1.00 0.31 H new ATOM 0 HA ILE A 17 5.610 12.154 -29.637 1.00 43.45 H new ATOM 0 HB ILE A 17 7.632 13.556 -29.186 1.00 31.30 H new ATOM 0 HG12 ILE A 17 8.736 11.474 -27.984 1.00 2.12 H new ATOM 0 HG13 ILE A 17 9.164 13.115 -27.541 1.00 2.12 H new ATOM 0 HG21 ILE A 17 6.795 14.584 -27.109 1.00 61.34 H new ATOM 0 HG22 ILE A 17 5.467 14.166 -28.218 1.00 61.34 H new ATOM 0 HG23 ILE A 17 5.798 13.142 -26.801 1.00 61.34 H new ATOM 0 HD11 ILE A 17 8.801 11.737 -25.553 1.00 72.13 H new ATOM 0 HD12 ILE A 17 7.583 13.030 -25.646 1.00 72.13 H new ATOM 0 HD13 ILE A 17 7.148 11.364 -26.096 1.00 72.13 H new ATOM 276 N LEU A 18 7.717 11.684 -31.144 1.00 63.11 N ATOM 277 CA LEU A 18 8.615 11.106 -32.138 1.00 25.33 C ATOM 278 C LEU A 18 9.540 12.170 -32.720 1.00 62.34 C ATOM 279 O LEU A 18 9.122 13.039 -33.485 1.00 41.32 O ATOM 280 CB LEU A 18 7.811 10.444 -33.258 1.00 13.31 C ATOM 281 CG LEU A 18 8.623 9.869 -34.419 1.00 2.43 C ATOM 282 CD1 LEU A 18 8.888 10.939 -35.466 1.00 41.43 C ATOM 283 CD2 LEU A 18 9.932 9.280 -33.913 1.00 73.42 C ATOM 0 H LEU A 18 7.363 12.610 -31.383 1.00 63.11 H new ATOM 0 HA LEU A 18 9.226 10.351 -31.644 1.00 25.33 H new ATOM 0 HB2 LEU A 18 7.216 9.640 -32.824 1.00 13.31 H new ATOM 0 HB3 LEU A 18 7.112 11.178 -33.659 1.00 13.31 H new ATOM 0 HG LEU A 18 8.043 9.071 -34.883 1.00 2.43 H new ATOM 0 HD11 LEU A 18 9.467 10.512 -36.285 1.00 41.43 H new ATOM 0 HD12 LEU A 18 7.940 11.315 -35.850 1.00 41.43 H new ATOM 0 HD13 LEU A 18 9.448 11.759 -35.015 1.00 41.43 H new ATOM 0 HD21 LEU A 18 10.497 8.875 -34.752 1.00 73.42 H new ATOM 0 HD22 LEU A 18 10.517 10.059 -33.424 1.00 73.42 H new ATOM 0 HD23 LEU A 18 9.721 8.483 -33.200 1.00 73.42 H new ATOM 295 N PRO A 19 10.828 12.100 -32.353 1.00 64.13 N ATOM 296 CA PRO A 19 11.840 13.048 -32.830 1.00 72.32 C ATOM 297 C PRO A 19 12.151 12.867 -34.312 1.00 73.11 C ATOM 298 O PRO A 19 12.135 11.750 -34.827 1.00 71.44 O ATOM 299 CB PRO A 19 13.069 12.712 -31.981 1.00 54.13 C ATOM 300 CG PRO A 19 12.880 11.287 -31.589 1.00 45.32 C ATOM 301 CD PRO A 19 11.397 11.090 -31.445 1.00 32.11 C ATOM 0 HA PRO A 19 11.508 14.082 -32.733 1.00 72.32 H new ATOM 0 HB2 PRO A 19 13.991 12.848 -32.547 1.00 54.13 H new ATOM 0 HB3 PRO A 19 13.134 13.358 -31.106 1.00 54.13 H new ATOM 0 HG2 PRO A 19 13.291 10.617 -32.344 1.00 45.32 H new ATOM 0 HG3 PRO A 19 13.395 11.068 -30.654 1.00 45.32 H new ATOM 0 HD2 PRO A 19 11.097 10.081 -31.728 1.00 32.11 H new ATOM 0 HD3 PRO A 19 11.069 11.244 -30.417 1.00 32.11 H new ATOM 309 N ALA A 20 12.433 13.973 -34.992 1.00 5.31 N ATOM 310 CA ALA A 20 12.751 13.936 -36.414 1.00 55.01 C ATOM 311 C ALA A 20 13.072 15.330 -36.942 1.00 14.32 C ATOM 312 O ALA A 20 14.227 15.647 -37.224 1.00 44.52 O ATOM 313 CB ALA A 20 11.597 13.326 -37.196 1.00 54.43 C ATOM 0 H ALA A 20 12.448 14.906 -34.581 1.00 5.31 H new ATOM 0 HA ALA A 20 13.636 13.314 -36.547 1.00 55.01 H new ATOM 0 HB1 ALA A 20 11.847 13.304 -38.257 1.00 54.43 H new ATOM 0 HB2 ALA A 20 11.416 12.310 -36.845 1.00 54.43 H new ATOM 0 HB3 ALA A 20 10.699 13.926 -37.047 1.00 54.43 H new ATOM 319 N CYS A 21 12.042 16.160 -37.073 1.00 72.33 N ATOM 320 CA CYS A 21 12.213 17.520 -37.568 1.00 44.13 C ATOM 321 C CYS A 21 11.900 18.540 -36.477 1.00 25.42 C ATOM 322 O CYS A 21 12.500 19.613 -36.425 1.00 64.15 O ATOM 323 CB CYS A 21 11.312 17.762 -38.781 1.00 32.44 C ATOM 324 SG CYS A 21 11.079 19.520 -39.196 1.00 3.02 S ATOM 0 H CYS A 21 11.079 15.913 -36.843 1.00 72.33 H new ATOM 0 HA CYS A 21 13.254 17.642 -37.867 1.00 44.13 H new ATOM 0 HB2 CYS A 21 11.737 17.249 -39.644 1.00 32.44 H new ATOM 0 HB3 CYS A 21 10.337 17.312 -38.592 1.00 32.44 H new ATOM 0 HG CYS A 21 10.226 20.051 -38.371 1.00 3.02 H new ATOM 329 N MET A 22 10.957 18.195 -35.606 1.00 43.31 N ATOM 330 CA MET A 22 10.566 19.080 -34.515 1.00 33.33 C ATOM 331 C MET A 22 9.890 18.295 -33.395 1.00 21.23 C ATOM 332 O MET A 22 9.951 17.065 -33.360 1.00 44.33 O ATOM 333 CB MET A 22 9.625 20.172 -35.027 1.00 71.22 C ATOM 334 CG MET A 22 9.997 21.567 -34.552 1.00 31.24 C ATOM 335 SD MET A 22 8.556 22.620 -34.293 1.00 21.54 S ATOM 336 CE MET A 22 9.343 24.175 -33.880 1.00 31.33 C ATOM 0 H MET A 22 10.450 17.310 -35.634 1.00 43.31 H new ATOM 0 HA MET A 22 11.468 19.545 -34.117 1.00 33.33 H new ATOM 0 HB2 MET A 22 9.623 20.157 -36.117 1.00 71.22 H new ATOM 0 HB3 MET A 22 8.609 19.946 -34.703 1.00 71.22 H new ATOM 0 HG2 MET A 22 10.559 21.492 -33.621 1.00 31.24 H new ATOM 0 HG3 MET A 22 10.655 22.033 -35.285 1.00 31.24 H new ATOM 0 HE1 MET A 22 8.580 24.930 -33.691 1.00 31.33 H new ATOM 0 HE2 MET A 22 9.955 24.047 -32.987 1.00 31.33 H new ATOM 0 HE3 MET A 22 9.973 24.495 -34.710 1.00 31.33 H new ATOM 346 N HIS A 23 9.246 19.013 -32.480 1.00 23.22 N ATOM 347 CA HIS A 23 8.559 18.383 -31.358 1.00 71.32 C ATOM 348 C HIS A 23 7.136 17.991 -31.744 1.00 14.20 C ATOM 349 O HIS A 23 6.261 18.847 -31.876 1.00 44.13 O ATOM 350 CB HIS A 23 8.533 19.325 -30.154 1.00 73.24 C ATOM 351 CG HIS A 23 9.795 19.303 -29.349 1.00 43.11 C ATOM 352 ND1 HIS A 23 9.840 19.633 -28.011 1.00 23.41 N ATOM 353 CD2 HIS A 23 11.064 18.987 -29.700 1.00 72.11 C ATOM 354 CE1 HIS A 23 11.082 19.522 -27.574 1.00 21.30 C ATOM 355 NE2 HIS A 23 11.844 19.131 -28.579 1.00 62.24 N ATOM 0 H HIS A 23 9.186 20.031 -32.494 1.00 23.22 H new ATOM 0 HA HIS A 23 9.106 17.479 -31.090 1.00 71.32 H new ATOM 0 HB2 HIS A 23 8.352 20.342 -30.503 1.00 73.24 H new ATOM 0 HB3 HIS A 23 7.696 19.055 -29.510 1.00 73.24 H new ATOM 0 HD2 HIS A 23 11.400 18.679 -30.679 1.00 72.11 H new ATOM 0 HE1 HIS A 23 11.417 19.718 -26.566 1.00 21.30 H new ATOM 0 HE2 HIS A 23 12.849 18.963 -28.531 1.00 62.24 H new ATOM 363 N GLU A 24 6.912 16.693 -31.923 1.00 52.24 N ATOM 364 CA GLU A 24 5.595 16.190 -32.296 1.00 32.04 C ATOM 365 C GLU A 24 5.100 15.161 -31.284 1.00 33.43 C ATOM 366 O GLU A 24 5.870 14.657 -30.465 1.00 15.12 O ATOM 367 CB GLU A 24 5.638 15.568 -33.693 1.00 22.11 C ATOM 368 CG GLU A 24 6.766 14.566 -33.878 1.00 54.24 C ATOM 369 CD GLU A 24 7.691 14.935 -35.022 1.00 21.33 C ATOM 370 OE1 GLU A 24 8.087 16.116 -35.106 1.00 43.11 O ATOM 371 OE2 GLU A 24 8.019 14.043 -35.832 1.00 33.34 O ATOM 0 H GLU A 24 7.625 15.971 -31.816 1.00 52.24 H new ATOM 0 HA GLU A 24 4.902 17.031 -32.303 1.00 32.04 H new ATOM 0 HB2 GLU A 24 4.687 15.073 -33.891 1.00 22.11 H new ATOM 0 HB3 GLU A 24 5.744 16.362 -34.432 1.00 22.11 H new ATOM 0 HG2 GLU A 24 7.343 14.500 -32.956 1.00 54.24 H new ATOM 0 HG3 GLU A 24 6.343 13.578 -34.061 1.00 54.24 H new ATOM 378 N THR A 25 3.808 14.852 -31.346 1.00 0.13 N ATOM 379 CA THR A 25 3.209 13.885 -30.435 1.00 74.01 C ATOM 380 C THR A 25 2.075 13.123 -31.111 1.00 73.31 C ATOM 381 O THR A 25 1.554 13.549 -32.142 1.00 42.43 O ATOM 382 CB THR A 25 2.667 14.569 -29.166 1.00 12.21 C ATOM 383 OG1 THR A 25 3.564 15.603 -28.746 1.00 0.22 O ATOM 384 CG2 THR A 25 2.486 13.560 -28.042 1.00 64.01 C ATOM 0 H THR A 25 3.157 15.258 -32.018 1.00 0.13 H new ATOM 0 HA THR A 25 3.997 13.186 -30.154 1.00 74.01 H new ATOM 0 HB THR A 25 1.696 15.004 -29.401 1.00 12.21 H new ATOM 0 HG1 THR A 25 3.212 16.034 -27.940 1.00 0.22 H new ATOM 0 HG21 THR A 25 2.102 14.067 -27.156 1.00 64.01 H new ATOM 0 HG22 THR A 25 1.780 12.790 -28.354 1.00 64.01 H new ATOM 0 HG23 THR A 25 3.446 13.099 -27.809 1.00 64.01 H new ATOM 392 N CYS A 26 1.695 11.993 -30.524 1.00 62.40 N ATOM 393 CA CYS A 26 0.622 11.170 -31.069 1.00 41.01 C ATOM 394 C CYS A 26 -0.035 10.336 -29.973 1.00 5.12 C ATOM 395 O CYS A 26 0.632 9.875 -29.046 1.00 73.22 O ATOM 396 CB CYS A 26 1.162 10.253 -32.168 1.00 63.03 C ATOM 397 SG CYS A 26 -0.131 9.451 -33.169 1.00 70.34 S ATOM 0 H CYS A 26 2.115 11.626 -29.670 1.00 62.40 H new ATOM 0 HA CYS A 26 -0.130 11.834 -31.496 1.00 41.01 H new ATOM 0 HB2 CYS A 26 1.808 10.834 -32.826 1.00 63.03 H new ATOM 0 HB3 CYS A 26 1.783 9.482 -31.711 1.00 63.03 H new ATOM 402 N SER A 27 -1.345 10.147 -30.086 1.00 33.12 N ATOM 403 CA SER A 27 -2.093 9.372 -29.103 1.00 33.30 C ATOM 404 C SER A 27 -3.477 9.010 -29.635 1.00 64.22 C ATOM 405 O SER A 27 -4.298 9.884 -29.906 1.00 14.54 O ATOM 406 CB SER A 27 -2.226 10.157 -27.797 1.00 14.21 C ATOM 407 OG SER A 27 -2.730 9.337 -26.757 1.00 74.44 O ATOM 0 H SER A 27 -1.911 10.520 -30.848 1.00 33.12 H new ATOM 0 HA SER A 27 -1.544 8.450 -28.910 1.00 33.30 H new ATOM 0 HB2 SER A 27 -1.254 10.558 -27.509 1.00 14.21 H new ATOM 0 HB3 SER A 27 -2.890 11.008 -27.947 1.00 14.21 H new ATOM 0 HG SER A 27 -3.028 9.900 -26.012 1.00 74.44 H new ATOM 413 N GLY A 28 -3.726 7.712 -29.783 1.00 52.20 N ATOM 414 CA GLY A 28 -5.010 7.256 -30.282 1.00 72.13 C ATOM 415 C GLY A 28 -5.589 6.130 -29.449 1.00 72.43 C ATOM 416 O GLY A 28 -5.685 4.993 -29.910 1.00 55.25 O ATOM 0 H GLY A 28 -3.062 6.969 -29.566 1.00 52.20 H new ATOM 0 HA2 GLY A 28 -5.709 8.092 -30.294 1.00 72.13 H new ATOM 0 HA3 GLY A 28 -4.897 6.920 -31.313 1.00 72.13 H new ATOM 420 N GLY A 29 -5.975 6.445 -28.216 1.00 62.05 N ATOM 421 CA GLY A 29 -6.541 5.440 -27.336 1.00 63.52 C ATOM 422 C GLY A 29 -7.819 5.907 -26.668 1.00 64.21 C ATOM 423 O GLY A 29 -8.821 5.192 -26.661 1.00 11.11 O ATOM 0 H GLY A 29 -5.906 7.379 -27.811 1.00 62.05 H new ATOM 0 HA2 GLY A 29 -6.743 4.534 -27.907 1.00 63.52 H new ATOM 0 HA3 GLY A 29 -5.810 5.178 -26.571 1.00 63.52 H new ATOM 427 N PHE A 30 -7.784 7.109 -26.103 1.00 43.23 N ATOM 428 CA PHE A 30 -8.947 7.670 -25.427 1.00 13.12 C ATOM 429 C PHE A 30 -8.896 9.195 -25.431 1.00 0.24 C ATOM 430 O PHE A 30 -9.908 9.861 -25.650 1.00 71.53 O ATOM 431 CB PHE A 30 -9.025 7.155 -23.988 1.00 61.22 C ATOM 432 CG PHE A 30 -10.178 7.721 -23.210 1.00 2.52 C ATOM 433 CD1 PHE A 30 -10.041 8.909 -22.510 1.00 10.24 C ATOM 434 CD2 PHE A 30 -11.398 7.066 -23.178 1.00 31.01 C ATOM 435 CE1 PHE A 30 -11.100 9.434 -21.793 1.00 30.44 C ATOM 436 CE2 PHE A 30 -12.461 7.586 -22.463 1.00 64.31 C ATOM 437 CZ PHE A 30 -12.311 8.770 -21.769 1.00 11.34 C ATOM 0 H PHE A 30 -6.962 7.713 -26.100 1.00 43.23 H new ATOM 0 HA PHE A 30 -9.838 7.352 -25.968 1.00 13.12 H new ATOM 0 HB2 PHE A 30 -9.106 6.068 -24.004 1.00 61.22 H new ATOM 0 HB3 PHE A 30 -8.096 7.398 -23.473 1.00 61.22 H new ATOM 0 HD1 PHE A 30 -9.096 9.431 -22.525 1.00 10.24 H new ATOM 0 HD2 PHE A 30 -11.520 6.139 -23.718 1.00 31.01 H new ATOM 0 HE1 PHE A 30 -10.981 10.361 -21.253 1.00 30.44 H new ATOM 0 HE2 PHE A 30 -13.408 7.067 -22.447 1.00 64.31 H new ATOM 0 HZ PHE A 30 -13.139 9.177 -21.208 1.00 11.34 H new ATOM 447 N SER A 31 -7.710 9.742 -25.185 1.00 64.02 N ATOM 448 CA SER A 31 -7.526 11.188 -25.156 1.00 1.23 C ATOM 449 C SER A 31 -7.574 11.771 -26.565 1.00 22.21 C ATOM 450 O SER A 31 -8.088 12.870 -26.778 1.00 71.41 O ATOM 451 CB SER A 31 -6.194 11.541 -24.491 1.00 21.12 C ATOM 452 OG SER A 31 -6.300 11.490 -23.079 1.00 4.14 O ATOM 0 H SER A 31 -6.862 9.205 -25.003 1.00 64.02 H new ATOM 0 HA SER A 31 -8.340 11.621 -24.575 1.00 1.23 H new ATOM 0 HB2 SER A 31 -5.422 10.849 -24.826 1.00 21.12 H new ATOM 0 HB3 SER A 31 -5.883 12.539 -24.800 1.00 21.12 H new ATOM 0 HG SER A 31 -5.435 11.718 -22.678 1.00 4.14 H new ATOM 458 N LEU A 32 -7.034 11.027 -27.524 1.00 51.02 N ATOM 459 CA LEU A 32 -7.014 11.468 -28.915 1.00 14.14 C ATOM 460 C LEU A 32 -6.308 12.813 -29.049 1.00 44.03 C ATOM 461 O LEU A 32 -6.916 13.868 -28.866 1.00 61.32 O ATOM 462 CB LEU A 32 -8.441 11.572 -29.458 1.00 3.14 C ATOM 463 CG LEU A 32 -8.604 12.330 -30.776 1.00 25.42 C ATOM 464 CD1 LEU A 32 -9.328 11.470 -31.800 1.00 33.34 C ATOM 465 CD2 LEU A 32 -9.349 13.637 -30.551 1.00 72.11 C ATOM 0 H LEU A 32 -6.604 10.116 -27.364 1.00 51.02 H new ATOM 0 HA LEU A 32 -6.463 10.729 -29.497 1.00 14.14 H new ATOM 0 HB2 LEU A 32 -8.832 10.563 -29.591 1.00 3.14 H new ATOM 0 HB3 LEU A 32 -9.061 12.057 -28.704 1.00 3.14 H new ATOM 0 HG LEU A 32 -7.613 12.563 -31.164 1.00 25.42 H new ATOM 0 HD11 LEU A 32 -9.435 12.026 -32.732 1.00 33.34 H new ATOM 0 HD12 LEU A 32 -8.754 10.562 -31.983 1.00 33.34 H new ATOM 0 HD13 LEU A 32 -10.315 11.205 -31.420 1.00 33.34 H new ATOM 0 HD21 LEU A 32 -9.456 14.163 -31.500 1.00 72.11 H new ATOM 0 HD22 LEU A 32 -10.336 13.427 -30.140 1.00 72.11 H new ATOM 0 HD23 LEU A 32 -8.790 14.259 -29.852 1.00 72.11 H new ATOM 477 N LYS A 33 -5.020 12.769 -29.373 1.00 24.15 N ATOM 478 CA LYS A 33 -4.229 13.983 -29.536 1.00 11.22 C ATOM 479 C LYS A 33 -2.921 13.687 -30.262 1.00 3.11 C ATOM 480 O LYS A 33 -2.438 12.556 -30.254 1.00 31.40 O ATOM 481 CB LYS A 33 -3.937 14.613 -28.172 1.00 42.32 C ATOM 482 CG LYS A 33 -3.065 13.750 -27.277 1.00 62.54 C ATOM 483 CD LYS A 33 -1.987 14.570 -26.589 1.00 44.05 C ATOM 484 CE LYS A 33 -2.588 15.641 -25.692 1.00 74.42 C ATOM 485 NZ LYS A 33 -1.620 16.111 -24.664 1.00 4.41 N ATOM 0 H LYS A 33 -4.501 11.905 -29.528 1.00 24.15 H new ATOM 0 HA LYS A 33 -4.807 14.685 -30.137 1.00 11.22 H new ATOM 0 HB2 LYS A 33 -3.448 15.575 -28.323 1.00 42.32 H new ATOM 0 HB3 LYS A 33 -4.880 14.811 -27.664 1.00 42.32 H new ATOM 0 HG2 LYS A 33 -3.685 13.260 -26.526 1.00 62.54 H new ATOM 0 HG3 LYS A 33 -2.601 12.962 -27.870 1.00 62.54 H new ATOM 0 HD2 LYS A 33 -1.351 13.912 -25.996 1.00 44.05 H new ATOM 0 HD3 LYS A 33 -1.350 15.038 -27.339 1.00 44.05 H new ATOM 0 HE2 LYS A 33 -2.910 16.486 -26.301 1.00 74.42 H new ATOM 0 HE3 LYS A 33 -3.477 15.246 -25.200 1.00 74.42 H new ATOM 0 HZ1 LYS A 33 -2.068 16.840 -24.073 1.00 4.41 H new ATOM 0 HZ2 LYS A 33 -1.332 15.310 -24.066 1.00 4.41 H new ATOM 0 HZ3 LYS A 33 -0.783 16.512 -25.133 1.00 4.41 H new ATOM 499 N ASN A 34 -2.351 14.712 -30.887 1.00 52.33 N ATOM 500 CA ASN A 34 -1.098 14.561 -31.617 1.00 43.43 C ATOM 501 C ASN A 34 -0.546 15.920 -32.037 1.00 42.43 C ATOM 502 O ASN A 34 -1.277 16.766 -32.553 1.00 43.04 O ATOM 503 CB ASN A 34 -1.304 13.679 -32.850 1.00 53.22 C ATOM 504 CG ASN A 34 -2.372 14.224 -33.779 1.00 14.14 C ATOM 505 OD1 ASN A 34 -2.080 14.986 -34.700 1.00 43.21 O ATOM 506 ND2 ASN A 34 -3.619 13.835 -33.539 1.00 32.11 N ATOM 0 H ASN A 34 -2.737 15.656 -30.902 1.00 52.33 H new ATOM 0 HA ASN A 34 -0.376 14.084 -30.954 1.00 43.43 H new ATOM 0 HB2 ASN A 34 -0.363 13.593 -33.393 1.00 53.22 H new ATOM 0 HB3 ASN A 34 -1.581 12.674 -32.532 1.00 53.22 H new ATOM 0 HD21 ASN A 34 -4.380 14.170 -34.130 1.00 32.11 H new ATOM 0 HD22 ASN A 34 -3.815 13.202 -32.764 1.00 32.11 H new ATOM 513 N ASP A 35 0.748 16.122 -31.813 1.00 51.21 N ATOM 514 CA ASP A 35 1.399 17.377 -32.170 1.00 11.54 C ATOM 515 C ASP A 35 2.024 17.290 -33.558 1.00 41.14 C ATOM 516 O ASP A 35 2.854 16.420 -33.824 1.00 2.13 O ATOM 517 CB ASP A 35 2.469 17.733 -31.136 1.00 62.04 C ATOM 518 CG ASP A 35 2.024 18.837 -30.198 1.00 34.03 C ATOM 519 OD1 ASP A 35 1.457 19.837 -30.685 1.00 44.24 O ATOM 520 OD2 ASP A 35 2.242 18.701 -28.975 1.00 51.14 O ATOM 0 H ASP A 35 1.367 15.433 -31.386 1.00 51.21 H new ATOM 0 HA ASP A 35 0.641 18.160 -32.182 1.00 11.54 H new ATOM 0 HB2 ASP A 35 2.718 16.845 -30.555 1.00 62.04 H new ATOM 0 HB3 ASP A 35 3.379 18.042 -31.651 1.00 62.04 H new ATOM 525 N CYS A 36 1.619 18.196 -34.442 1.00 2.31 N ATOM 526 CA CYS A 36 2.138 18.222 -35.804 1.00 74.43 C ATOM 527 C CYS A 36 3.655 18.385 -35.806 1.00 12.00 C ATOM 528 O CYS A 36 4.295 18.342 -34.755 1.00 50.34 O ATOM 529 CB CYS A 36 1.490 19.359 -36.597 1.00 63.45 C ATOM 530 SG CYS A 36 0.511 18.803 -38.030 1.00 23.44 S ATOM 0 H CYS A 36 0.932 18.922 -34.239 1.00 2.31 H new ATOM 0 HA CYS A 36 1.893 17.272 -36.278 1.00 74.43 H new ATOM 0 HB2 CYS A 36 0.845 19.931 -35.930 1.00 63.45 H new ATOM 0 HB3 CYS A 36 2.270 20.036 -36.944 1.00 63.45 H new ATOM 0 HG CYS A 36 -0.592 18.253 -37.615 1.00 23.44 H new ATOM 535 N TRP A 37 4.222 18.572 -36.992 1.00 4.41 N ATOM 536 CA TRP A 37 5.664 18.743 -37.131 1.00 23.44 C ATOM 537 C TRP A 37 6.002 20.147 -37.619 1.00 62.45 C ATOM 538 O TRP A 37 5.126 21.006 -37.725 1.00 23.32 O ATOM 539 CB TRP A 37 6.231 17.702 -38.098 1.00 54.12 C ATOM 540 CG TRP A 37 5.273 17.318 -39.185 1.00 54.20 C ATOM 541 CD1 TRP A 37 4.721 16.086 -39.394 1.00 1.50 C ATOM 542 CD2 TRP A 37 4.755 18.171 -40.212 1.00 45.12 C ATOM 543 NE1 TRP A 37 3.892 16.122 -40.489 1.00 41.23 N ATOM 544 CE2 TRP A 37 3.895 17.390 -41.008 1.00 63.24 C ATOM 545 CE3 TRP A 37 4.933 19.519 -40.536 1.00 25.14 C ATOM 546 CZ2 TRP A 37 3.218 17.913 -42.106 1.00 51.25 C ATOM 547 CZ3 TRP A 37 4.261 20.037 -41.626 1.00 33.32 C ATOM 548 CH2 TRP A 37 3.411 19.236 -42.400 1.00 71.32 C ATOM 0 H TRP A 37 3.706 18.609 -37.871 1.00 4.41 H new ATOM 0 HA TRP A 37 6.118 18.602 -36.150 1.00 23.44 H new ATOM 0 HB2 TRP A 37 7.143 18.094 -38.549 1.00 54.12 H new ATOM 0 HB3 TRP A 37 6.510 16.810 -37.538 1.00 54.12 H new ATOM 0 HD1 TRP A 37 4.909 15.212 -38.788 1.00 1.50 H new ATOM 0 HE1 TRP A 37 3.360 15.333 -40.856 1.00 41.23 H new ATOM 0 HE3 TRP A 37 5.585 20.145 -39.944 1.00 25.14 H new ATOM 0 HZ2 TRP A 37 2.564 17.297 -42.705 1.00 51.25 H new ATOM 0 HZ3 TRP A 37 4.393 21.077 -41.886 1.00 33.32 H new ATOM 0 HH2 TRP A 37 2.898 19.671 -43.245 1.00 71.32 H new ATOM 559 N CYS A 38 7.277 20.374 -37.917 1.00 41.03 N ATOM 560 CA CYS A 38 7.731 21.674 -38.395 1.00 41.31 C ATOM 561 C CYS A 38 7.477 21.822 -39.893 1.00 4.54 C ATOM 562 O CYS A 38 7.630 20.869 -40.657 1.00 32.03 O ATOM 563 CB CYS A 38 9.221 21.858 -38.098 1.00 53.44 C ATOM 564 SG CYS A 38 10.285 20.555 -38.797 1.00 34.24 S ATOM 0 H CYS A 38 8.014 19.674 -37.836 1.00 41.03 H new ATOM 0 HA CYS A 38 7.165 22.444 -37.871 1.00 41.31 H new ATOM 0 HB2 CYS A 38 9.542 22.823 -38.490 1.00 53.44 H new ATOM 0 HB3 CYS A 38 9.364 21.889 -37.018 1.00 53.44 H new ATOM 0 HG CYS A 38 9.622 19.438 -38.856 1.00 34.24 H new ATOM 569 N CYS A 39 7.090 23.025 -40.305 1.00 72.42 N ATOM 570 CA CYS A 39 6.814 23.299 -41.710 1.00 44.42 C ATOM 571 C CYS A 39 8.050 23.041 -42.567 1.00 61.03 C ATOM 572 O CYS A 39 9.072 22.561 -42.074 1.00 41.45 O ATOM 573 CB CYS A 39 6.351 24.747 -41.887 1.00 61.21 C ATOM 574 SG CYS A 39 4.581 25.008 -41.544 1.00 42.10 S ATOM 0 H CYS A 39 6.961 23.825 -39.686 1.00 72.42 H new ATOM 0 HA CYS A 39 6.020 22.628 -42.037 1.00 44.42 H new ATOM 0 HB2 CYS A 39 6.936 25.388 -41.228 1.00 61.21 H new ATOM 0 HB3 CYS A 39 6.563 25.063 -42.909 1.00 61.21 H new ATOM 579 N LEU A 40 7.949 23.362 -43.852 1.00 44.04 N ATOM 580 CA LEU A 40 9.059 23.165 -44.779 1.00 54.44 C ATOM 581 C LEU A 40 10.363 23.689 -44.187 1.00 31.34 C ATOM 582 O LEU A 40 11.282 22.919 -43.906 1.00 73.21 O ATOM 583 CB LEU A 40 8.770 23.868 -46.107 1.00 42.30 C ATOM 584 CG LEU A 40 9.437 23.266 -47.344 1.00 72.22 C ATOM 585 CD1 LEU A 40 10.945 23.204 -47.161 1.00 23.42 C ATOM 586 CD2 LEU A 40 8.875 21.881 -47.632 1.00 1.04 C ATOM 0 H LEU A 40 7.111 23.760 -44.276 1.00 44.04 H new ATOM 0 HA LEU A 40 9.167 22.095 -44.956 1.00 54.44 H new ATOM 0 HB2 LEU A 40 7.692 23.872 -46.266 1.00 42.30 H new ATOM 0 HB3 LEU A 40 9.083 24.908 -46.020 1.00 42.30 H new ATOM 0 HG LEU A 40 9.222 23.908 -48.198 1.00 72.22 H new ATOM 0 HD11 LEU A 40 11.402 22.773 -48.052 1.00 23.42 H new ATOM 0 HD12 LEU A 40 11.334 24.210 -47.004 1.00 23.42 H new ATOM 0 HD13 LEU A 40 11.181 22.585 -46.296 1.00 23.42 H new ATOM 0 HD21 LEU A 40 9.361 21.468 -48.516 1.00 1.04 H new ATOM 0 HD22 LEU A 40 9.059 21.229 -46.778 1.00 1.04 H new ATOM 0 HD23 LEU A 40 7.802 21.953 -47.809 1.00 1.04 H new ATOM 598 N ARG A 41 10.436 25.002 -43.997 1.00 14.12 N ATOM 599 CA ARG A 41 11.627 25.628 -43.436 1.00 50.22 C ATOM 600 C ARG A 41 11.280 26.954 -42.764 1.00 73.55 C ATOM 601 O ARG A 41 10.876 27.911 -43.427 1.00 24.33 O ATOM 602 CB ARG A 41 12.672 25.857 -44.530 1.00 74.02 C ATOM 603 CG ARG A 41 12.169 26.709 -45.684 1.00 14.00 C ATOM 604 CD ARG A 41 12.612 26.147 -47.026 1.00 11.42 C ATOM 605 NE ARG A 41 13.772 26.856 -47.559 1.00 50.15 N ATOM 606 CZ ARG A 41 13.726 28.103 -48.016 1.00 74.30 C ATOM 607 NH1 ARG A 41 12.583 28.775 -48.003 1.00 73.34 N ATOM 608 NH2 ARG A 41 14.824 28.680 -48.486 1.00 61.31 N ATOM 0 H ARG A 41 9.684 25.653 -44.223 1.00 14.12 H new ATOM 0 HA ARG A 41 12.039 24.956 -42.683 1.00 50.22 H new ATOM 0 HB2 ARG A 41 13.547 26.336 -44.090 1.00 74.02 H new ATOM 0 HB3 ARG A 41 12.998 24.892 -44.917 1.00 74.02 H new ATOM 0 HG2 ARG A 41 11.081 26.761 -45.652 1.00 14.00 H new ATOM 0 HG3 ARG A 41 12.541 27.728 -45.574 1.00 14.00 H new ATOM 0 HD2 ARG A 41 12.853 25.090 -46.915 1.00 11.42 H new ATOM 0 HD3 ARG A 41 11.788 26.213 -47.737 1.00 11.42 H new ATOM 0 HE ARG A 41 14.667 26.367 -47.582 1.00 50.15 H new ATOM 0 HH11 ARG A 41 11.737 28.335 -47.642 1.00 73.34 H new ATOM 0 HH12 ARG A 41 12.550 29.732 -48.354 1.00 73.34 H new ATOM 0 HH21 ARG A 41 15.705 28.166 -48.497 1.00 61.31 H new ATOM 0 HH22 ARG A 41 14.787 29.637 -48.836 1.00 61.31 H new ATOM 622 N LEU A 42 11.438 27.002 -41.446 1.00 42.15 N ATOM 623 CA LEU A 42 11.141 28.210 -40.684 1.00 62.21 C ATOM 624 C LEU A 42 12.339 28.627 -39.836 1.00 74.12 C ATOM 625 O LEU A 42 13.176 27.800 -39.476 1.00 23.34 O ATOM 626 CB LEU A 42 9.922 27.984 -39.789 1.00 15.42 C ATOM 627 CG LEU A 42 9.893 26.668 -39.012 1.00 63.41 C ATOM 628 CD1 LEU A 42 9.411 26.898 -37.588 1.00 70.13 C ATOM 629 CD2 LEU A 42 9.009 25.650 -39.719 1.00 0.53 C ATOM 0 H LEU A 42 11.770 26.219 -40.883 1.00 42.15 H new ATOM 0 HA LEU A 42 10.923 29.011 -41.390 1.00 62.21 H new ATOM 0 HB2 LEU A 42 9.864 28.805 -39.075 1.00 15.42 H new ATOM 0 HB3 LEU A 42 9.027 28.036 -40.409 1.00 15.42 H new ATOM 0 HG LEU A 42 10.907 26.271 -38.970 1.00 63.41 H new ATOM 0 HD11 LEU A 42 9.397 25.950 -37.051 1.00 70.13 H new ATOM 0 HD12 LEU A 42 10.084 27.591 -37.083 1.00 70.13 H new ATOM 0 HD13 LEU A 42 8.406 27.318 -37.608 1.00 70.13 H new ATOM 0 HD21 LEU A 42 9.000 24.719 -39.152 1.00 0.53 H new ATOM 0 HD22 LEU A 42 7.994 26.039 -39.793 1.00 0.53 H new ATOM 0 HD23 LEU A 42 9.399 25.462 -40.719 1.00 0.53 H new ATOM 641 N LYS A 43 12.412 29.915 -39.519 1.00 3.01 N ATOM 642 CA LYS A 43 13.505 30.443 -38.710 1.00 74.01 C ATOM 643 C LYS A 43 12.989 30.965 -37.373 1.00 55.32 C ATOM 644 O LYS A 43 13.762 31.191 -36.442 1.00 43.31 O ATOM 645 CB LYS A 43 14.228 31.562 -39.462 1.00 5.31 C ATOM 646 CG LYS A 43 13.294 32.491 -40.217 1.00 54.12 C ATOM 647 CD LYS A 43 12.442 33.317 -39.268 1.00 51.42 C ATOM 648 CE LYS A 43 12.206 34.719 -39.809 1.00 15.44 C ATOM 649 NZ LYS A 43 10.859 34.854 -40.431 1.00 2.35 N ATOM 0 H LYS A 43 11.727 30.613 -39.810 1.00 3.01 H new ATOM 0 HA LYS A 43 14.206 29.631 -38.517 1.00 74.01 H new ATOM 0 HB2 LYS A 43 14.812 32.147 -38.752 1.00 5.31 H new ATOM 0 HB3 LYS A 43 14.933 31.119 -40.166 1.00 5.31 H new ATOM 0 HG2 LYS A 43 13.877 33.155 -40.855 1.00 54.12 H new ATOM 0 HG3 LYS A 43 12.648 31.906 -40.872 1.00 54.12 H new ATOM 0 HD2 LYS A 43 11.485 32.820 -39.111 1.00 51.42 H new ATOM 0 HD3 LYS A 43 12.932 33.378 -38.297 1.00 51.42 H new ATOM 0 HE2 LYS A 43 12.307 35.442 -39.000 1.00 15.44 H new ATOM 0 HE3 LYS A 43 12.972 34.957 -40.547 1.00 15.44 H new ATOM 0 HZ1 LYS A 43 10.737 35.823 -40.787 1.00 2.35 H new ATOM 0 HZ2 LYS A 43 10.772 34.182 -41.220 1.00 2.35 H new ATOM 0 HZ3 LYS A 43 10.127 34.651 -39.721 1.00 2.35 H new ATOM 663 N THR A 44 11.676 31.154 -37.284 1.00 14.34 N ATOM 664 CA THR A 44 11.056 31.649 -36.061 1.00 3.42 C ATOM 665 C THR A 44 9.856 30.796 -35.668 1.00 54.21 C ATOM 666 O THR A 44 9.629 30.531 -34.487 1.00 54.04 O ATOM 667 CB THR A 44 10.603 33.114 -36.214 1.00 22.34 C ATOM 668 OG1 THR A 44 10.228 33.646 -34.938 1.00 75.14 O ATOM 669 CG2 THR A 44 9.432 33.220 -37.178 1.00 74.22 C ATOM 0 H THR A 44 11.021 30.972 -38.045 1.00 14.34 H new ATOM 0 HA THR A 44 11.812 31.590 -35.278 1.00 3.42 H new ATOM 0 HB THR A 44 11.437 33.690 -36.616 1.00 22.34 H new ATOM 0 HG1 THR A 44 9.943 34.578 -35.043 1.00 75.14 H new ATOM 0 HG21 THR A 44 9.130 34.263 -37.270 1.00 74.22 H new ATOM 0 HG22 THR A 44 9.730 32.841 -38.156 1.00 74.22 H new ATOM 0 HG23 THR A 44 8.596 32.632 -36.800 1.00 74.22 H new ATOM 677 N LYS A 45 9.089 30.368 -36.665 1.00 72.30 N ATOM 678 CA LYS A 45 7.911 29.542 -36.425 1.00 24.02 C ATOM 679 C LYS A 45 7.157 29.279 -37.724 1.00 52.22 C ATOM 680 O LYS A 45 6.548 28.224 -37.895 1.00 73.34 O ATOM 681 CB LYS A 45 6.985 30.220 -35.413 1.00 1.30 C ATOM 682 CG LYS A 45 5.575 29.655 -35.405 1.00 4.14 C ATOM 683 CD LYS A 45 4.718 30.311 -34.336 1.00 12.53 C ATOM 684 CE LYS A 45 3.762 29.315 -33.699 1.00 35.14 C ATOM 685 NZ LYS A 45 3.110 29.872 -32.481 1.00 30.11 N ATOM 0 H LYS A 45 9.262 30.580 -37.648 1.00 72.30 H new ATOM 0 HA LYS A 45 8.244 28.587 -36.020 1.00 24.02 H new ATOM 0 HB2 LYS A 45 7.414 30.119 -34.416 1.00 1.30 H new ATOM 0 HB3 LYS A 45 6.939 31.287 -35.633 1.00 1.30 H new ATOM 0 HG2 LYS A 45 5.117 29.804 -36.383 1.00 4.14 H new ATOM 0 HG3 LYS A 45 5.614 28.579 -35.232 1.00 4.14 H new ATOM 0 HD2 LYS A 45 5.360 30.743 -33.568 1.00 12.53 H new ATOM 0 HD3 LYS A 45 4.151 31.131 -34.776 1.00 12.53 H new ATOM 0 HE2 LYS A 45 2.998 29.032 -34.423 1.00 35.14 H new ATOM 0 HE3 LYS A 45 4.305 28.407 -33.437 1.00 35.14 H new ATOM 0 HZ1 LYS A 45 2.466 29.162 -32.077 1.00 30.11 H new ATOM 0 HZ2 LYS A 45 3.837 30.119 -31.780 1.00 30.11 H new ATOM 0 HZ3 LYS A 45 2.571 30.724 -32.735 1.00 30.11 H new ATOM 699 N GLN A 46 7.203 30.245 -38.636 1.00 3.21 N ATOM 700 CA GLN A 46 6.524 30.117 -39.920 1.00 22.53 C ATOM 701 C GLN A 46 7.393 30.654 -41.052 1.00 3.44 C ATOM 702 O GLN A 46 8.300 31.455 -40.824 1.00 53.24 O ATOM 703 CB GLN A 46 5.187 30.859 -39.890 1.00 43.42 C ATOM 704 CG GLN A 46 5.324 32.346 -39.605 1.00 13.23 C ATOM 705 CD GLN A 46 4.975 33.205 -40.804 1.00 45.23 C ATOM 706 OE1 GLN A 46 5.781 34.022 -41.252 1.00 54.30 O ATOM 707 NE2 GLN A 46 3.771 33.025 -41.332 1.00 74.54 N ATOM 0 H GLN A 46 7.703 31.125 -38.509 1.00 3.21 H new ATOM 0 HA GLN A 46 6.339 29.058 -40.101 1.00 22.53 H new ATOM 0 HB2 GLN A 46 4.685 30.726 -40.848 1.00 43.42 H new ATOM 0 HB3 GLN A 46 4.548 30.409 -39.130 1.00 43.42 H new ATOM 0 HG2 GLN A 46 4.676 32.613 -38.770 1.00 13.23 H new ATOM 0 HG3 GLN A 46 6.347 32.560 -39.295 1.00 13.23 H new ATOM 0 HE21 GLN A 46 3.135 32.337 -40.929 1.00 74.54 H new ATOM 0 HE22 GLN A 46 3.482 33.575 -42.141 1.00 74.54 H new ATOM 716 N ALA A 47 7.111 30.208 -42.271 1.00 52.32 N ATOM 717 CA ALA A 47 7.866 30.646 -43.439 1.00 13.23 C ATOM 718 C ALA A 47 7.350 29.977 -44.708 1.00 63.03 C ATOM 719 O ALA A 47 6.622 30.587 -45.491 1.00 15.11 O ATOM 720 CB ALA A 47 9.347 30.354 -43.250 1.00 32.24 C ATOM 0 H ALA A 47 6.365 29.543 -42.476 1.00 52.32 H new ATOM 0 HA ALA A 47 7.730 31.722 -43.546 1.00 13.23 H new ATOM 0 HB1 ALA A 47 9.898 30.686 -44.130 1.00 32.24 H new ATOM 0 HB2 ALA A 47 9.713 30.884 -42.371 1.00 32.24 H new ATOM 0 HB3 ALA A 47 9.492 29.282 -43.114 1.00 32.24 H new ATOM 726 N ARG A 48 7.734 28.720 -44.907 1.00 10.12 N ATOM 727 CA ARG A 48 7.312 27.969 -46.083 1.00 11.11 C ATOM 728 C ARG A 48 6.553 26.708 -45.679 1.00 44.14 C ATOM 729 O ARG A 48 7.085 25.850 -44.974 1.00 14.24 O ATOM 730 CB ARG A 48 8.524 27.596 -46.938 1.00 41.23 C ATOM 731 CG ARG A 48 8.778 28.559 -48.087 1.00 24.13 C ATOM 732 CD ARG A 48 7.622 28.565 -49.075 1.00 4.33 C ATOM 733 NE ARG A 48 6.744 29.716 -48.882 1.00 32.23 N ATOM 734 CZ ARG A 48 7.077 30.959 -49.212 1.00 21.43 C ATOM 735 NH1 ARG A 48 8.263 31.210 -49.749 1.00 20.03 N ATOM 736 NH2 ARG A 48 6.223 31.953 -49.005 1.00 61.12 N ATOM 0 H ARG A 48 8.337 28.201 -44.269 1.00 10.12 H new ATOM 0 HA ARG A 48 6.645 28.602 -46.668 1.00 11.11 H new ATOM 0 HB2 ARG A 48 9.409 27.560 -46.303 1.00 41.23 H new ATOM 0 HB3 ARG A 48 8.380 26.593 -47.340 1.00 41.23 H new ATOM 0 HG2 ARG A 48 8.927 29.565 -47.694 1.00 24.13 H new ATOM 0 HG3 ARG A 48 9.697 28.278 -48.602 1.00 24.13 H new ATOM 0 HD2 ARG A 48 8.014 28.575 -50.092 1.00 4.33 H new ATOM 0 HD3 ARG A 48 7.046 27.647 -48.964 1.00 4.33 H new ATOM 0 HE ARG A 48 5.824 29.557 -48.471 1.00 32.23 H new ATOM 0 HH11 ARG A 48 8.922 30.448 -49.910 1.00 20.03 H new ATOM 0 HH12 ARG A 48 8.517 32.165 -50.002 1.00 20.03 H new ATOM 0 HH21 ARG A 48 5.310 31.763 -48.592 1.00 61.12 H new ATOM 0 HH22 ARG A 48 6.480 32.907 -49.259 1.00 61.12 H new ATOM 750 N CYS A 49 5.308 26.603 -46.131 1.00 63.45 N ATOM 751 CA CYS A 49 4.475 25.448 -45.818 1.00 24.04 C ATOM 752 C CYS A 49 3.378 25.269 -46.863 1.00 31.25 C ATOM 753 O CYS A 49 3.282 26.042 -47.816 1.00 1.14 O ATOM 754 CB CYS A 49 3.852 25.605 -44.429 1.00 63.31 C ATOM 755 SG CYS A 49 3.976 24.116 -43.387 1.00 34.05 S ATOM 0 H CYS A 49 4.853 27.304 -46.716 1.00 63.45 H new ATOM 0 HA CYS A 49 5.108 24.561 -45.827 1.00 24.04 H new ATOM 0 HB2 CYS A 49 4.337 26.436 -43.917 1.00 63.31 H new ATOM 0 HB3 CYS A 49 2.801 25.870 -44.542 1.00 63.31 H new ATOM 760 N TRP A 50 2.553 24.245 -46.676 1.00 30.01 N ATOM 761 CA TRP A 50 1.462 23.964 -47.602 1.00 53.21 C ATOM 762 C TRP A 50 0.123 23.938 -46.874 1.00 34.14 C ATOM 763 O TRP A 50 -0.013 23.307 -45.825 1.00 1.53 O ATOM 764 CB TRP A 50 1.697 22.629 -48.310 1.00 44.24 C ATOM 765 CG TRP A 50 2.145 21.537 -47.386 1.00 52.33 C ATOM 766 CD1 TRP A 50 1.388 20.505 -46.910 1.00 52.21 C ATOM 767 CD2 TRP A 50 3.452 21.371 -46.826 1.00 33.12 C ATOM 768 NE1 TRP A 50 2.145 19.707 -46.087 1.00 45.12 N ATOM 769 CE2 TRP A 50 3.415 20.216 -46.020 1.00 3.22 C ATOM 770 CE3 TRP A 50 4.649 22.083 -46.928 1.00 4.52 C ATOM 771 CZ2 TRP A 50 4.530 19.761 -45.321 1.00 2.42 C ATOM 772 CZ3 TRP A 50 5.755 21.631 -46.233 1.00 70.12 C ATOM 773 CH2 TRP A 50 5.690 20.478 -45.439 1.00 13.52 C ATOM 0 H TRP A 50 2.619 23.596 -45.892 1.00 30.01 H new ATOM 0 HA TRP A 50 1.435 24.761 -48.345 1.00 53.21 H new ATOM 0 HB2 TRP A 50 0.776 22.321 -48.805 1.00 44.24 H new ATOM 0 HB3 TRP A 50 2.447 22.766 -49.089 1.00 44.24 H new ATOM 0 HD1 TRP A 50 0.347 20.340 -47.146 1.00 52.21 H new ATOM 0 HE1 TRP A 50 1.815 18.871 -45.604 1.00 45.12 H new ATOM 0 HE3 TRP A 50 4.710 22.971 -47.539 1.00 4.52 H new ATOM 0 HZ2 TRP A 50 4.481 18.874 -44.707 1.00 2.42 H new ATOM 0 HZ3 TRP A 50 6.685 22.176 -46.303 1.00 70.12 H new ATOM 0 HH2 TRP A 50 6.572 20.149 -44.910 1.00 13.52 H new ATOM 784 N LYS A 51 -0.865 24.626 -47.436 1.00 34.14 N ATOM 785 CA LYS A 51 -2.195 24.681 -46.841 1.00 34.55 C ATOM 786 C LYS A 51 -2.913 23.343 -46.989 1.00 73.13 C ATOM 787 O LYS A 51 -3.012 22.801 -48.089 1.00 72.15 O ATOM 788 CB LYS A 51 -3.023 25.791 -47.492 1.00 60.31 C ATOM 789 CG LYS A 51 -3.551 26.816 -46.503 1.00 61.25 C ATOM 790 CD LYS A 51 -2.535 27.915 -46.244 1.00 42.53 C ATOM 791 CE LYS A 51 -2.242 28.065 -44.759 1.00 50.13 C ATOM 792 NZ LYS A 51 -0.964 28.790 -44.516 1.00 71.02 N ATOM 0 H LYS A 51 -0.770 25.154 -48.304 1.00 34.14 H new ATOM 0 HA LYS A 51 -2.081 24.897 -45.779 1.00 34.55 H new ATOM 0 HB2 LYS A 51 -2.411 26.299 -48.237 1.00 60.31 H new ATOM 0 HB3 LYS A 51 -3.864 25.343 -48.021 1.00 60.31 H new ATOM 0 HG2 LYS A 51 -4.472 27.254 -46.888 1.00 61.25 H new ATOM 0 HG3 LYS A 51 -3.801 26.322 -45.564 1.00 61.25 H new ATOM 0 HD2 LYS A 51 -1.611 27.691 -46.777 1.00 42.53 H new ATOM 0 HD3 LYS A 51 -2.910 28.859 -46.639 1.00 42.53 H new ATOM 0 HE2 LYS A 51 -3.061 28.602 -44.280 1.00 50.13 H new ATOM 0 HE3 LYS A 51 -2.194 27.079 -44.297 1.00 50.13 H new ATOM 0 HZ1 LYS A 51 -0.800 28.872 -43.492 1.00 71.02 H new ATOM 0 HZ2 LYS A 51 -0.179 28.265 -44.951 1.00 71.02 H new ATOM 0 HZ3 LYS A 51 -1.019 29.740 -44.935 1.00 71.02 H new ATOM 806 N GLU A 52 -3.413 22.818 -45.875 1.00 74.41 N ATOM 807 CA GLU A 52 -4.123 21.544 -45.884 1.00 23.45 C ATOM 808 C GLU A 52 -5.387 21.631 -46.733 1.00 74.40 C ATOM 809 O GLU A 52 -5.959 20.612 -47.122 1.00 53.23 O ATOM 810 CB GLU A 52 -4.482 21.125 -44.456 1.00 64.12 C ATOM 811 CG GLU A 52 -5.102 19.741 -44.366 1.00 22.23 C ATOM 812 CD GLU A 52 -6.468 19.756 -43.708 1.00 71.52 C ATOM 813 OE1 GLU A 52 -6.608 20.394 -42.644 1.00 74.13 O ATOM 814 OE2 GLU A 52 -7.397 19.128 -44.259 1.00 14.33 O ATOM 0 H GLU A 52 -3.340 23.254 -44.956 1.00 74.41 H new ATOM 0 HA GLU A 52 -3.464 20.793 -46.321 1.00 23.45 H new ATOM 0 HB2 GLU A 52 -3.582 21.152 -43.841 1.00 64.12 H new ATOM 0 HB3 GLU A 52 -5.176 21.853 -44.036 1.00 64.12 H new ATOM 0 HG2 GLU A 52 -5.190 19.320 -45.368 1.00 22.23 H new ATOM 0 HG3 GLU A 52 -4.438 19.085 -43.802 1.00 22.23 H new ATOM 821 N LYS A 53 -5.819 22.855 -47.017 1.00 34.34 N ATOM 822 CA LYS A 53 -7.016 23.078 -47.820 1.00 65.50 C ATOM 823 C LYS A 53 -6.739 22.802 -49.295 1.00 15.33 C ATOM 824 O LYS A 53 -7.593 22.275 -50.007 1.00 30.43 O ATOM 825 CB LYS A 53 -7.514 24.514 -47.643 1.00 23.41 C ATOM 826 CG LYS A 53 -6.449 25.564 -47.909 1.00 73.14 C ATOM 827 CD LYS A 53 -7.026 26.969 -47.856 1.00 73.44 C ATOM 828 CE LYS A 53 -7.940 27.241 -49.042 1.00 21.14 C ATOM 829 NZ LYS A 53 -9.186 27.946 -48.631 1.00 44.12 N ATOM 0 H LYS A 53 -5.358 23.709 -46.703 1.00 34.34 H new ATOM 0 HA LYS A 53 -7.788 22.389 -47.477 1.00 65.50 H new ATOM 0 HB2 LYS A 53 -8.355 24.683 -48.315 1.00 23.41 H new ATOM 0 HB3 LYS A 53 -7.888 24.637 -46.627 1.00 23.41 H new ATOM 0 HG2 LYS A 53 -5.651 25.469 -47.172 1.00 73.14 H new ATOM 0 HG3 LYS A 53 -6.002 25.390 -48.888 1.00 73.14 H new ATOM 0 HD2 LYS A 53 -7.583 27.100 -46.928 1.00 73.44 H new ATOM 0 HD3 LYS A 53 -6.215 27.697 -47.846 1.00 73.44 H new ATOM 0 HE2 LYS A 53 -7.409 27.842 -49.780 1.00 21.14 H new ATOM 0 HE3 LYS A 53 -8.198 26.299 -49.525 1.00 21.14 H new ATOM 0 HZ1 LYS A 53 -9.782 28.113 -49.467 1.00 44.12 H new ATOM 0 HZ2 LYS A 53 -9.706 27.361 -47.946 1.00 44.12 H new ATOM 0 HZ3 LYS A 53 -8.941 28.857 -48.193 1.00 44.12 H new ATOM 843 N GLU A 54 -5.542 23.162 -49.745 1.00 44.22 N ATOM 844 CA GLU A 54 -5.154 22.953 -51.135 1.00 74.43 C ATOM 845 C GLU A 54 -4.221 21.753 -51.265 1.00 63.40 C ATOM 846 O GLU A 54 -3.924 21.300 -52.371 1.00 25.33 O ATOM 847 CB GLU A 54 -4.474 24.205 -51.693 1.00 31.32 C ATOM 848 CG GLU A 54 -5.435 25.351 -51.961 1.00 3.01 C ATOM 849 CD GLU A 54 -4.733 26.591 -52.479 1.00 3.55 C ATOM 850 OE1 GLU A 54 -4.490 26.670 -53.701 1.00 14.31 O ATOM 851 OE2 GLU A 54 -4.426 27.484 -51.660 1.00 62.31 O ATOM 0 H GLU A 54 -4.824 23.600 -49.168 1.00 44.22 H new ATOM 0 HA GLU A 54 -6.058 22.753 -51.711 1.00 74.43 H new ATOM 0 HB2 GLU A 54 -3.711 24.538 -50.989 1.00 31.32 H new ATOM 0 HB3 GLU A 54 -3.961 23.947 -52.620 1.00 31.32 H new ATOM 0 HG2 GLU A 54 -6.183 25.031 -52.687 1.00 3.01 H new ATOM 0 HG3 GLU A 54 -5.967 25.596 -51.042 1.00 3.01 H new ATOM 858 N PHE A 55 -3.761 21.243 -50.127 1.00 63.44 N ATOM 859 CA PHE A 55 -2.859 20.096 -50.113 1.00 14.44 C ATOM 860 C PHE A 55 -3.354 19.028 -49.142 1.00 75.34 C ATOM 861 O PHE A 55 -3.361 19.213 -47.925 1.00 55.44 O ATOM 862 CB PHE A 55 -1.446 20.537 -49.726 1.00 31.02 C ATOM 863 CG PHE A 55 -0.546 20.769 -50.906 1.00 75.00 C ATOM 864 CD1 PHE A 55 -0.759 21.843 -51.755 1.00 50.02 C ATOM 865 CD2 PHE A 55 0.512 19.913 -51.166 1.00 11.50 C ATOM 866 CE1 PHE A 55 0.067 22.058 -52.842 1.00 52.23 C ATOM 867 CE2 PHE A 55 1.341 20.124 -52.251 1.00 64.14 C ATOM 868 CZ PHE A 55 1.119 21.198 -53.090 1.00 41.40 C ATOM 0 H PHE A 55 -3.997 21.605 -49.203 1.00 63.44 H new ATOM 0 HA PHE A 55 -2.837 19.669 -51.116 1.00 14.44 H new ATOM 0 HB2 PHE A 55 -1.508 21.454 -49.141 1.00 31.02 H new ATOM 0 HB3 PHE A 55 -1.000 19.778 -49.083 1.00 31.02 H new ATOM 0 HD1 PHE A 55 -1.579 22.519 -51.565 1.00 50.02 H new ATOM 0 HD2 PHE A 55 0.691 19.071 -50.513 1.00 11.50 H new ATOM 0 HE1 PHE A 55 -0.110 22.898 -53.497 1.00 52.23 H new ATOM 0 HE2 PHE A 55 2.162 19.449 -52.443 1.00 64.14 H new ATOM 0 HZ PHE A 55 1.766 21.365 -53.938 1.00 41.40 H new ATOM 878 N PRO A 56 -3.780 17.881 -49.693 1.00 24.20 N ATOM 879 CA PRO A 56 -4.285 16.759 -48.895 1.00 45.34 C ATOM 880 C PRO A 56 -3.183 16.079 -48.090 1.00 31.50 C ATOM 881 O PRO A 56 -3.437 15.515 -47.027 1.00 32.44 O ATOM 882 CB PRO A 56 -4.848 15.801 -49.948 1.00 23.13 C ATOM 883 CG PRO A 56 -4.090 16.116 -51.191 1.00 53.12 C ATOM 884 CD PRO A 56 -3.800 17.590 -51.136 1.00 44.45 C ATOM 0 HA PRO A 56 -5.019 17.081 -48.156 1.00 45.34 H new ATOM 0 HB2 PRO A 56 -4.708 14.761 -49.652 1.00 23.13 H new ATOM 0 HB3 PRO A 56 -5.918 15.952 -50.088 1.00 23.13 H new ATOM 0 HG2 PRO A 56 -3.167 15.538 -51.242 1.00 53.12 H new ATOM 0 HG3 PRO A 56 -4.673 15.866 -52.078 1.00 53.12 H new ATOM 0 HD2 PRO A 56 -2.847 17.830 -51.607 1.00 44.45 H new ATOM 0 HD3 PRO A 56 -4.565 18.170 -51.652 1.00 44.45 H new ATOM 892 N ASN A 57 -1.959 16.136 -48.604 1.00 62.21 N ATOM 893 CA ASN A 57 -0.818 15.524 -47.932 1.00 12.22 C ATOM 894 C ASN A 57 -0.624 16.118 -46.540 1.00 53.40 C ATOM 895 O ASN A 57 -0.237 15.420 -45.604 1.00 65.43 O ATOM 896 CB ASN A 57 0.453 15.716 -48.762 1.00 54.10 C ATOM 897 CG ASN A 57 1.062 14.398 -49.199 1.00 50.13 C ATOM 898 OD1 ASN A 57 1.012 14.038 -50.376 1.00 12.14 O ATOM 899 ND2 ASN A 57 1.642 13.671 -48.251 1.00 73.03 N ATOM 0 H ASN A 57 -1.731 16.600 -49.484 1.00 62.21 H new ATOM 0 HA ASN A 57 -1.018 14.458 -47.828 1.00 12.22 H new ATOM 0 HB2 ASN A 57 0.222 16.316 -49.642 1.00 54.10 H new ATOM 0 HB3 ASN A 57 1.184 16.275 -48.178 1.00 54.10 H new ATOM 0 HD21 ASN A 57 2.070 12.775 -48.485 1.00 73.03 H new ATOM 0 HD22 ASN A 57 1.660 14.009 -47.289 1.00 73.03 H new ATOM 906 N ALA A 58 -0.898 17.413 -46.412 1.00 23.41 N ATOM 907 CA ALA A 58 -0.756 18.100 -45.135 1.00 11.44 C ATOM 908 C ALA A 58 -1.564 17.405 -44.044 1.00 64.20 C ATOM 909 O ALA A 58 -1.055 17.136 -42.956 1.00 24.23 O ATOM 910 CB ALA A 58 -1.187 19.554 -45.267 1.00 62.31 C ATOM 0 H ALA A 58 -1.219 18.006 -47.177 1.00 23.41 H new ATOM 0 HA ALA A 58 0.295 18.068 -44.849 1.00 11.44 H new ATOM 0 HB1 ALA A 58 -1.076 20.055 -44.305 1.00 62.31 H new ATOM 0 HB2 ALA A 58 -0.564 20.052 -46.010 1.00 62.31 H new ATOM 0 HB3 ALA A 58 -2.230 19.597 -45.580 1.00 62.31 H new ATOM 916 N LYS A 59 -2.826 17.116 -44.342 1.00 41.10 N ATOM 917 CA LYS A 59 -3.705 16.451 -43.388 1.00 10.03 C ATOM 918 C LYS A 59 -3.251 15.016 -43.138 1.00 1.52 C ATOM 919 O LYS A 59 -3.205 14.561 -41.996 1.00 32.03 O ATOM 920 CB LYS A 59 -5.147 16.459 -43.900 1.00 70.22 C ATOM 921 CG LYS A 59 -6.172 16.784 -42.827 1.00 70.34 C ATOM 922 CD LYS A 59 -6.218 15.708 -41.755 1.00 65.24 C ATOM 923 CE LYS A 59 -6.673 14.373 -42.325 1.00 22.24 C ATOM 924 NZ LYS A 59 -7.960 14.495 -43.064 1.00 22.11 N ATOM 0 H LYS A 59 -3.263 17.332 -45.238 1.00 41.10 H new ATOM 0 HA LYS A 59 -3.657 16.998 -42.446 1.00 10.03 H new ATOM 0 HB2 LYS A 59 -5.233 17.188 -44.706 1.00 70.22 H new ATOM 0 HB3 LYS A 59 -5.377 15.483 -44.327 1.00 70.22 H new ATOM 0 HG2 LYS A 59 -5.930 17.744 -42.370 1.00 70.34 H new ATOM 0 HG3 LYS A 59 -7.157 16.887 -43.283 1.00 70.34 H new ATOM 0 HD2 LYS A 59 -5.230 15.596 -41.307 1.00 65.24 H new ATOM 0 HD3 LYS A 59 -6.896 16.015 -40.959 1.00 65.24 H new ATOM 0 HE2 LYS A 59 -5.906 13.983 -42.994 1.00 22.24 H new ATOM 0 HE3 LYS A 59 -6.786 13.652 -41.515 1.00 22.24 H new ATOM 0 HZ1 LYS A 59 -8.537 13.646 -42.899 1.00 22.11 H new ATOM 0 HZ2 LYS A 59 -8.475 15.334 -42.729 1.00 22.11 H new ATOM 0 HZ3 LYS A 59 -7.768 14.590 -44.082 1.00 22.11 H new ATOM 938 N GLU A 60 -2.915 14.311 -44.213 1.00 61.13 N ATOM 939 CA GLU A 60 -2.464 12.928 -44.109 1.00 3.34 C ATOM 940 C GLU A 60 -1.214 12.828 -43.238 1.00 14.10 C ATOM 941 O GLU A 60 -1.080 11.910 -42.428 1.00 33.11 O ATOM 942 CB GLU A 60 -2.177 12.355 -45.498 1.00 54.33 C ATOM 943 CG GLU A 60 -2.844 11.014 -45.753 1.00 33.02 C ATOM 944 CD GLU A 60 -1.843 9.890 -45.937 1.00 41.33 C ATOM 945 OE1 GLU A 60 -0.796 10.129 -46.575 1.00 23.41 O ATOM 946 OE2 GLU A 60 -2.106 8.773 -45.445 1.00 11.50 O ATOM 0 H GLU A 60 -2.946 14.674 -45.166 1.00 61.13 H new ATOM 0 HA GLU A 60 -3.260 12.348 -43.642 1.00 3.34 H new ATOM 0 HB2 GLU A 60 -2.512 13.067 -46.252 1.00 54.33 H new ATOM 0 HB3 GLU A 60 -1.100 12.245 -45.621 1.00 54.33 H new ATOM 0 HG2 GLU A 60 -3.503 10.776 -44.918 1.00 33.02 H new ATOM 0 HG3 GLU A 60 -3.470 11.087 -46.642 1.00 33.02 H new ATOM 953 N LEU A 61 -0.302 13.778 -43.411 1.00 52.12 N ATOM 954 CA LEU A 61 0.937 13.798 -42.642 1.00 64.13 C ATOM 955 C LEU A 61 0.662 14.100 -41.173 1.00 32.43 C ATOM 956 O LEU A 61 1.168 13.416 -40.282 1.00 52.30 O ATOM 957 CB LEU A 61 1.900 14.839 -43.217 1.00 22.45 C ATOM 958 CG LEU A 61 2.349 14.613 -44.661 1.00 12.22 C ATOM 959 CD1 LEU A 61 2.640 15.941 -45.343 1.00 31.02 C ATOM 960 CD2 LEU A 61 3.572 13.710 -44.704 1.00 65.44 C ATOM 0 H LEU A 61 -0.397 14.545 -44.077 1.00 52.12 H new ATOM 0 HA LEU A 61 1.394 12.811 -42.711 1.00 64.13 H new ATOM 0 HB2 LEU A 61 1.425 15.818 -43.154 1.00 22.45 H new ATOM 0 HB3 LEU A 61 2.786 14.874 -42.583 1.00 22.45 H new ATOM 0 HG LEU A 61 1.540 14.120 -45.200 1.00 12.22 H new ATOM 0 HD11 LEU A 61 2.958 15.761 -46.370 1.00 31.02 H new ATOM 0 HD12 LEU A 61 1.739 16.554 -45.345 1.00 31.02 H new ATOM 0 HD13 LEU A 61 3.432 16.461 -44.804 1.00 31.02 H new ATOM 0 HD21 LEU A 61 3.877 13.560 -45.740 1.00 65.44 H new ATOM 0 HD22 LEU A 61 4.387 14.175 -44.149 1.00 65.44 H new ATOM 0 HD23 LEU A 61 3.329 12.747 -44.254 1.00 65.44 H new ATOM 972 N CYS A 62 -0.145 15.126 -40.926 1.00 73.00 N ATOM 973 CA CYS A 62 -0.491 15.518 -39.565 1.00 24.00 C ATOM 974 C CYS A 62 -1.249 14.401 -38.853 1.00 42.31 C ATOM 975 O CYS A 62 -1.022 14.137 -37.672 1.00 63.33 O ATOM 976 CB CYS A 62 -1.334 16.794 -39.578 1.00 52.30 C ATOM 977 SG CYS A 62 -0.660 18.141 -38.554 1.00 14.55 S ATOM 0 H CYS A 62 -0.572 15.702 -41.652 1.00 73.00 H new ATOM 0 HA CYS A 62 0.435 15.708 -39.022 1.00 24.00 H new ATOM 0 HB2 CYS A 62 -1.427 17.145 -40.606 1.00 52.30 H new ATOM 0 HB3 CYS A 62 -2.339 16.556 -39.230 1.00 52.30 H new ATOM 0 HG CYS A 62 0.624 17.986 -38.423 1.00 14.55 H new ATOM 982 N PHE A 63 -2.150 13.749 -39.580 1.00 13.23 N ATOM 983 CA PHE A 63 -2.943 12.661 -39.018 1.00 42.44 C ATOM 984 C PHE A 63 -2.095 11.405 -38.842 1.00 4.42 C ATOM 985 O PHE A 63 -2.228 10.687 -37.851 1.00 54.34 O ATOM 986 CB PHE A 63 -4.142 12.358 -39.919 1.00 41.12 C ATOM 987 CG PHE A 63 -5.401 12.055 -39.159 1.00 13.11 C ATOM 988 CD1 PHE A 63 -6.017 13.033 -38.394 1.00 23.11 C ATOM 989 CD2 PHE A 63 -5.970 10.793 -39.210 1.00 32.23 C ATOM 990 CE1 PHE A 63 -7.175 12.756 -37.693 1.00 11.32 C ATOM 991 CE2 PHE A 63 -7.129 10.510 -38.511 1.00 1.40 C ATOM 992 CZ PHE A 63 -7.733 11.494 -37.752 1.00 64.14 C ATOM 0 H PHE A 63 -2.350 13.955 -40.559 1.00 13.23 H new ATOM 0 HA PHE A 63 -3.303 12.975 -38.038 1.00 42.44 H new ATOM 0 HB2 PHE A 63 -4.319 13.211 -40.574 1.00 41.12 H new ATOM 0 HB3 PHE A 63 -3.900 11.509 -40.559 1.00 41.12 H new ATOM 0 HD1 PHE A 63 -5.587 14.023 -38.345 1.00 23.11 H new ATOM 0 HD2 PHE A 63 -5.503 10.021 -39.803 1.00 32.23 H new ATOM 0 HE1 PHE A 63 -7.644 13.526 -37.099 1.00 11.32 H new ATOM 0 HE2 PHE A 63 -7.561 9.521 -38.558 1.00 1.40 H new ATOM 0 HZ PHE A 63 -8.639 11.277 -37.206 1.00 64.14 H new ATOM 1002 N ALA A 64 -1.222 11.147 -39.810 1.00 61.13 N ATOM 1003 CA ALA A 64 -0.351 9.979 -39.762 1.00 43.31 C ATOM 1004 C ALA A 64 0.806 10.197 -38.793 1.00 3.30 C ATOM 1005 O ALA A 64 1.471 9.247 -38.382 1.00 42.50 O ATOM 1006 CB ALA A 64 0.176 9.656 -41.152 1.00 44.43 C ATOM 0 H ALA A 64 -1.099 11.731 -40.637 1.00 61.13 H new ATOM 0 HA ALA A 64 -0.938 9.134 -39.403 1.00 43.31 H new ATOM 0 HB1 ALA A 64 0.825 8.782 -41.101 1.00 44.43 H new ATOM 0 HB2 ALA A 64 -0.661 9.449 -41.819 1.00 44.43 H new ATOM 0 HB3 ALA A 64 0.742 10.506 -41.533 1.00 44.43 H new ATOM 1012 N ASN A 65 1.041 11.455 -38.432 1.00 62.24 N ATOM 1013 CA ASN A 65 2.119 11.797 -37.512 1.00 45.41 C ATOM 1014 C ASN A 65 2.068 10.922 -36.264 1.00 31.13 C ATOM 1015 O ASN A 65 1.239 11.133 -35.378 1.00 20.12 O ATOM 1016 CB ASN A 65 2.032 13.273 -37.118 1.00 10.12 C ATOM 1017 CG ASN A 65 2.910 13.606 -35.927 1.00 12.31 C ATOM 1018 OD1 ASN A 65 4.137 13.586 -36.021 1.00 41.13 O ATOM 1019 ND2 ASN A 65 2.283 13.915 -34.798 1.00 33.02 N ATOM 0 H ASN A 65 0.499 12.254 -38.763 1.00 62.24 H new ATOM 0 HA ASN A 65 3.067 11.619 -38.020 1.00 45.41 H new ATOM 0 HB2 ASN A 65 2.326 13.891 -37.967 1.00 10.12 H new ATOM 0 HB3 ASN A 65 0.997 13.524 -36.885 1.00 10.12 H new ATOM 0 HD21 ASN A 65 2.821 14.148 -33.963 1.00 33.02 H new ATOM 0 HD22 ASN A 65 1.264 13.919 -34.765 1.00 33.02 H new ATOM 1026 N CYS A 66 2.959 9.939 -36.200 1.00 25.30 N ATOM 1027 CA CYS A 66 3.017 9.030 -35.061 1.00 50.50 C ATOM 1028 C CYS A 66 4.408 8.418 -34.923 1.00 71.15 C ATOM 1029 O CYS A 66 5.200 8.396 -35.866 1.00 33.20 O ATOM 1030 CB CYS A 66 1.973 7.923 -35.212 1.00 75.31 C ATOM 1031 SG CYS A 66 0.437 8.216 -34.277 1.00 51.21 S ATOM 0 H CYS A 66 3.652 9.751 -36.924 1.00 25.30 H new ATOM 0 HA CYS A 66 2.801 9.603 -34.159 1.00 50.50 H new ATOM 0 HB2 CYS A 66 1.727 7.812 -36.268 1.00 75.31 H new ATOM 0 HB3 CYS A 66 2.410 6.979 -34.885 1.00 75.31 H new ATOM 1036 N PRO A 67 4.713 7.908 -33.721 1.00 44.01 N ATOM 1037 CA PRO A 67 6.008 7.285 -33.431 1.00 63.03 C ATOM 1038 C PRO A 67 6.184 5.952 -34.150 1.00 71.32 C ATOM 1039 O PRO A 67 5.237 5.382 -34.693 1.00 11.13 O ATOM 1040 CB PRO A 67 5.969 7.074 -31.916 1.00 2.23 C ATOM 1041 CG PRO A 67 4.520 6.990 -31.582 1.00 72.12 C ATOM 1042 CD PRO A 67 3.818 7.900 -32.552 1.00 61.00 C ATOM 0 HA PRO A 67 6.841 7.902 -33.768 1.00 63.03 H new ATOM 0 HB2 PRO A 67 6.495 6.163 -31.630 1.00 2.23 H new ATOM 0 HB3 PRO A 67 6.450 7.898 -31.389 1.00 2.23 H new ATOM 0 HG2 PRO A 67 4.157 5.966 -31.674 1.00 72.12 H new ATOM 0 HG3 PRO A 67 4.338 7.301 -30.553 1.00 72.12 H new ATOM 0 HD2 PRO A 67 2.826 7.527 -32.808 1.00 61.00 H new ATOM 0 HD3 PRO A 67 3.686 8.901 -32.140 1.00 61.00 H new ATOM 1050 N PRO A 68 7.424 5.440 -34.156 1.00 11.25 N ATOM 1051 CA PRO A 68 7.752 4.167 -34.804 1.00 2.13 C ATOM 1052 C PRO A 68 7.157 2.972 -34.068 1.00 74.51 C ATOM 1053 O PRO A 68 7.020 2.988 -32.844 1.00 73.11 O ATOM 1054 CB PRO A 68 9.281 4.123 -34.745 1.00 42.24 C ATOM 1055 CG PRO A 68 9.641 4.980 -33.581 1.00 15.11 C ATOM 1056 CD PRO A 68 8.601 6.065 -33.529 1.00 13.13 C ATOM 0 HA PRO A 68 7.348 4.108 -35.815 1.00 2.13 H new ATOM 0 HB2 PRO A 68 9.643 3.103 -34.612 1.00 42.24 H new ATOM 0 HB3 PRO A 68 9.724 4.501 -35.667 1.00 42.24 H new ATOM 0 HG2 PRO A 68 9.648 4.401 -32.657 1.00 15.11 H new ATOM 0 HG3 PRO A 68 10.639 5.401 -33.700 1.00 15.11 H new ATOM 0 HD2 PRO A 68 8.394 6.374 -32.505 1.00 13.13 H new ATOM 0 HD3 PRO A 68 8.921 6.954 -34.072 1.00 13.13 H new ATOM 1064 N LEU A 69 6.804 1.935 -34.821 1.00 42.30 N ATOM 1065 CA LEU A 69 6.223 0.730 -34.240 1.00 63.10 C ATOM 1066 C LEU A 69 7.232 -0.414 -34.238 1.00 30.30 C ATOM 1067 O LEU A 69 6.862 -1.581 -34.367 1.00 55.51 O ATOM 1068 CB LEU A 69 4.970 0.319 -35.015 1.00 64.05 C ATOM 1069 CG LEU A 69 5.074 0.381 -36.540 1.00 10.02 C ATOM 1070 CD1 LEU A 69 4.285 -0.754 -37.175 1.00 44.41 C ATOM 1071 CD2 LEU A 69 4.583 1.727 -37.053 1.00 64.13 C ATOM 0 H LEU A 69 6.910 1.905 -35.835 1.00 42.30 H new ATOM 0 HA LEU A 69 5.948 0.950 -33.208 1.00 63.10 H new ATOM 0 HB2 LEU A 69 4.708 -0.700 -34.730 1.00 64.05 H new ATOM 0 HB3 LEU A 69 4.146 0.960 -34.701 1.00 64.05 H new ATOM 0 HG LEU A 69 6.122 0.268 -36.819 1.00 10.02 H new ATOM 0 HD11 LEU A 69 4.370 -0.694 -38.260 1.00 44.41 H new ATOM 0 HD12 LEU A 69 4.682 -1.709 -36.832 1.00 44.41 H new ATOM 0 HD13 LEU A 69 3.236 -0.673 -36.889 1.00 44.41 H new ATOM 0 HD21 LEU A 69 4.664 1.754 -38.140 1.00 64.13 H new ATOM 0 HD22 LEU A 69 3.542 1.869 -36.763 1.00 64.13 H new ATOM 0 HD23 LEU A 69 5.191 2.524 -36.624 1.00 64.13 H new ATOM 1083 N GLU A 70 8.508 -0.072 -34.089 1.00 13.54 N ATOM 1084 CA GLU A 70 9.569 -1.071 -34.068 1.00 62.12 C ATOM 1085 C GLU A 70 9.475 -1.989 -35.283 1.00 60.53 C ATOM 1086 O GLU A 70 10.289 -1.905 -36.202 1.00 3.21 O ATOM 1087 CB GLU A 70 9.497 -1.898 -32.783 1.00 74.31 C ATOM 1088 CG GLU A 70 10.833 -2.485 -32.360 1.00 41.34 C ATOM 1089 CD GLU A 70 10.731 -3.946 -31.968 1.00 43.05 C ATOM 1090 OE1 GLU A 70 9.730 -4.317 -31.321 1.00 30.51 O ATOM 1091 OE2 GLU A 70 11.652 -4.718 -32.309 1.00 1.33 O ATOM 0 H GLU A 70 8.832 0.889 -33.981 1.00 13.54 H new ATOM 0 HA GLU A 70 10.525 -0.549 -34.101 1.00 62.12 H new ATOM 0 HB2 GLU A 70 9.115 -1.270 -31.978 1.00 74.31 H new ATOM 0 HB3 GLU A 70 8.782 -2.708 -32.922 1.00 74.31 H new ATOM 0 HG2 GLU A 70 11.546 -2.381 -33.178 1.00 41.34 H new ATOM 0 HG3 GLU A 70 11.227 -1.914 -31.519 1.00 41.34 H new