USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=15 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 29:sc= -25.1! USER MOD Set 1.2: A 62 CYS SG : rot -3:sc= -24.5! USER MOD Set 2.1: A 39 CYS SG : rot 170:sc= -25.4! USER MOD Set 2.2: A 49 CYS SG : rot 50:sc= -20.7! USER MOD Set 3.1: A 21 CYS SG : rot 95:sc= -20! USER MOD Set 3.2: A 38 CYS SG : rot 174:sc= -23! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 0.00871 (180deg=0) USER MOD Single : A 22 MET CE :methyl 169:sc= -0.257 (180deg=-0.454) USER MOD Single : A 23 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 27 SER OG : rot 110:sc= -0.0816 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= -0.0307 (180deg=-0.534) USER MOD Single : A 34 ASN : amide:sc=-0.000227 X(o=-0.00023,f=-0.0099) 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= -0.0223 X(o=-0.022,f=0) 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= -0.189 X(o=-0.19,f=-0.05) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.21 K(o=-1.2,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 2.393 -0.281 -24.090 1.00 44.35 N ATOM 171 CA ARG A 12 3.257 -0.297 -25.265 1.00 20.11 C ATOM 172 C ARG A 12 2.432 -0.242 -26.547 1.00 51.43 C ATOM 173 O ARG A 12 2.233 -1.257 -27.214 1.00 33.45 O ATOM 174 CB ARG A 12 4.133 -1.552 -25.263 1.00 14.40 C ATOM 175 CG ARG A 12 5.019 -1.674 -24.034 1.00 74.01 C ATOM 176 CD ARG A 12 5.980 -2.846 -24.155 1.00 41.11 C ATOM 177 NE ARG A 12 6.766 -2.784 -25.385 1.00 30.44 N ATOM 178 CZ ARG A 12 7.381 -3.834 -25.917 1.00 22.52 C ATOM 179 NH1 ARG A 12 7.302 -5.021 -25.331 1.00 34.04 N ATOM 180 NH2 ARG A 12 8.078 -3.699 -27.038 1.00 54.12 N ATOM 0 HA ARG A 12 3.897 0.585 -25.227 1.00 20.11 H new ATOM 0 HB2 ARG A 12 3.493 -2.432 -25.328 1.00 14.40 H new ATOM 0 HB3 ARG A 12 4.761 -1.548 -26.154 1.00 14.40 H new ATOM 0 HG2 ARG A 12 5.584 -0.752 -23.898 1.00 74.01 H new ATOM 0 HG3 ARG A 12 4.398 -1.801 -23.147 1.00 74.01 H new ATOM 0 HD2 ARG A 12 6.651 -2.855 -23.296 1.00 41.11 H new ATOM 0 HD3 ARG A 12 5.418 -3.780 -24.130 1.00 41.11 H new ATOM 0 HE ARG A 12 6.847 -1.885 -25.861 1.00 30.44 H new ATOM 0 HH11 ARG A 12 6.768 -5.130 -24.469 1.00 34.04 H new ATOM 0 HH12 ARG A 12 7.776 -5.825 -25.742 1.00 34.04 H new ATOM 0 HH21 ARG A 12 8.142 -2.788 -27.492 1.00 54.12 H new ATOM 0 HH22 ARG A 12 8.550 -4.506 -27.445 1.00 54.12 H new ATOM 194 N SER A 13 1.954 0.951 -26.886 1.00 42.54 N ATOM 195 CA SER A 13 1.147 1.139 -28.086 1.00 61.13 C ATOM 196 C SER A 13 2.000 0.995 -29.343 1.00 2.01 C ATOM 197 O SER A 13 3.155 0.573 -29.278 1.00 33.22 O ATOM 198 CB SER A 13 0.477 2.514 -28.066 1.00 34.10 C ATOM 199 OG SER A 13 -0.845 2.444 -28.573 1.00 42.50 O ATOM 0 H SER A 13 2.112 1.802 -26.346 1.00 42.54 H new ATOM 0 HA SER A 13 0.377 0.368 -28.100 1.00 61.13 H new ATOM 0 HB2 SER A 13 0.459 2.899 -27.046 1.00 34.10 H new ATOM 0 HB3 SER A 13 1.062 3.216 -28.661 1.00 34.10 H new ATOM 0 HG SER A 13 -1.252 3.335 -28.548 1.00 42.50 H new ATOM 205 N SER A 14 1.423 1.349 -30.486 1.00 53.44 N ATOM 206 CA SER A 14 2.127 1.257 -31.760 1.00 25.33 C ATOM 207 C SER A 14 2.670 2.619 -32.181 1.00 10.03 C ATOM 208 O SER A 14 2.761 2.924 -33.370 1.00 53.11 O ATOM 209 CB SER A 14 1.197 0.709 -32.843 1.00 72.42 C ATOM 210 OG SER A 14 1.142 -0.707 -32.800 1.00 42.25 O ATOM 0 H SER A 14 0.469 1.703 -30.557 1.00 53.44 H new ATOM 0 HA SER A 14 2.967 0.574 -31.633 1.00 25.33 H new ATOM 0 HB2 SER A 14 0.196 1.119 -32.709 1.00 72.42 H new ATOM 0 HB3 SER A 14 1.545 1.033 -33.824 1.00 72.42 H new ATOM 0 HG SER A 14 0.540 -1.032 -33.501 1.00 42.25 H new ATOM 216 N LYS A 15 3.030 3.436 -31.196 1.00 73.51 N ATOM 217 CA LYS A 15 3.565 4.766 -31.461 1.00 72.45 C ATOM 218 C LYS A 15 4.938 4.678 -32.120 1.00 1.34 C ATOM 219 O LYS A 15 5.729 3.786 -31.811 1.00 53.02 O ATOM 220 CB LYS A 15 3.661 5.568 -30.162 1.00 35.12 C ATOM 221 CG LYS A 15 4.847 5.182 -29.295 1.00 15.22 C ATOM 222 CD LYS A 15 4.582 3.898 -28.527 1.00 33.00 C ATOM 223 CE LYS A 15 5.314 2.717 -29.146 1.00 5.52 C ATOM 224 NZ LYS A 15 5.755 1.737 -28.116 1.00 23.53 N ATOM 0 H LYS A 15 2.961 3.199 -30.206 1.00 73.51 H new ATOM 0 HA LYS A 15 2.885 5.275 -32.145 1.00 72.45 H new ATOM 0 HB2 LYS A 15 3.728 6.629 -30.404 1.00 35.12 H new ATOM 0 HB3 LYS A 15 2.743 5.429 -29.590 1.00 35.12 H new ATOM 0 HG2 LYS A 15 5.731 5.057 -29.921 1.00 15.22 H new ATOM 0 HG3 LYS A 15 5.064 5.988 -28.594 1.00 15.22 H new ATOM 0 HD2 LYS A 15 4.898 4.021 -27.491 1.00 33.00 H new ATOM 0 HD3 LYS A 15 3.511 3.696 -28.512 1.00 33.00 H new ATOM 0 HE2 LYS A 15 4.661 2.221 -29.864 1.00 5.52 H new ATOM 0 HE3 LYS A 15 6.181 3.077 -29.700 1.00 5.52 H new ATOM 0 HZ1 LYS A 15 6.551 1.179 -28.486 1.00 23.53 H new ATOM 0 HZ2 LYS A 15 6.057 2.245 -27.260 1.00 23.53 H new ATOM 0 HZ3 LYS A 15 4.966 1.101 -27.881 1.00 23.53 H new ATOM 238 N ILE A 16 5.215 5.610 -33.025 1.00 43.04 N ATOM 239 CA ILE A 16 6.494 5.639 -33.724 1.00 62.22 C ATOM 240 C ILE A 16 6.669 6.942 -34.497 1.00 22.31 C ATOM 241 O ILE A 16 5.724 7.717 -34.649 1.00 63.50 O ATOM 242 CB ILE A 16 6.630 4.455 -34.699 1.00 74.55 C ATOM 243 CG1 ILE A 16 5.248 3.926 -35.089 1.00 34.42 C ATOM 244 CG2 ILE A 16 7.470 3.349 -34.077 1.00 53.32 C ATOM 245 CD1 ILE A 16 5.274 2.975 -36.265 1.00 52.44 C ATOM 0 H ILE A 16 4.571 6.355 -33.292 1.00 43.04 H new ATOM 0 HA ILE A 16 7.271 5.563 -32.963 1.00 62.22 H new ATOM 0 HB ILE A 16 7.134 4.803 -35.601 1.00 74.55 H new ATOM 0 HG12 ILE A 16 4.807 3.418 -34.231 1.00 34.42 H new ATOM 0 HG13 ILE A 16 4.600 4.769 -35.328 1.00 34.42 H new ATOM 0 HG21 ILE A 16 7.557 2.519 -34.779 1.00 53.32 H new ATOM 0 HG22 ILE A 16 8.463 3.733 -33.845 1.00 53.32 H new ATOM 0 HG23 ILE A 16 6.993 3.001 -33.161 1.00 53.32 H new ATOM 0 HD11 ILE A 16 4.260 2.641 -36.485 1.00 52.44 H new ATOM 0 HD12 ILE A 16 5.685 3.485 -37.136 1.00 52.44 H new ATOM 0 HD13 ILE A 16 5.896 2.113 -36.022 1.00 52.44 H new ATOM 257 N ILE A 17 7.883 7.176 -34.984 1.00 60.32 N ATOM 258 CA ILE A 17 8.181 8.383 -35.744 1.00 11.40 C ATOM 259 C ILE A 17 8.589 8.047 -37.174 1.00 74.52 C ATOM 260 O ILE A 17 8.901 6.897 -37.488 1.00 51.11 O ATOM 261 CB ILE A 17 9.304 9.203 -35.081 1.00 61.34 C ATOM 262 CG1 ILE A 17 10.584 8.370 -34.986 1.00 22.13 C ATOM 263 CG2 ILE A 17 8.871 9.678 -33.703 1.00 35.34 C ATOM 264 CD1 ILE A 17 10.675 7.545 -33.721 1.00 3.21 C ATOM 0 H ILE A 17 8.676 6.545 -34.866 1.00 60.32 H new ATOM 0 HA ILE A 17 7.268 8.978 -35.760 1.00 11.40 H new ATOM 0 HB ILE A 17 9.507 10.079 -35.697 1.00 61.34 H new ATOM 0 HG12 ILE A 17 10.640 7.706 -35.848 1.00 22.13 H new ATOM 0 HG13 ILE A 17 11.446 9.035 -35.039 1.00 22.13 H new ATOM 0 HG21 ILE A 17 9.675 10.256 -33.248 1.00 35.34 H new ATOM 0 HG22 ILE A 17 7.983 10.303 -33.796 1.00 35.34 H new ATOM 0 HG23 ILE A 17 8.644 8.816 -33.076 1.00 35.34 H new ATOM 0 HD11 ILE A 17 11.607 6.980 -33.721 1.00 3.21 H new ATOM 0 HD12 ILE A 17 10.650 8.205 -32.854 1.00 3.21 H new ATOM 0 HD13 ILE A 17 9.833 6.855 -33.676 1.00 3.21 H new ATOM 276 N LEU A 18 8.585 9.056 -38.038 1.00 23.03 N ATOM 277 CA LEU A 18 8.957 8.868 -39.436 1.00 11.12 C ATOM 278 C LEU A 18 10.084 9.816 -39.832 1.00 4.03 C ATOM 279 O LEU A 18 9.890 11.023 -39.982 1.00 24.55 O ATOM 280 CB LEU A 18 7.744 9.093 -40.341 1.00 5.31 C ATOM 281 CG LEU A 18 7.853 8.535 -41.760 1.00 63.41 C ATOM 282 CD1 LEU A 18 6.504 8.589 -42.460 1.00 44.12 C ATOM 283 CD2 LEU A 18 8.901 9.300 -42.556 1.00 15.22 C ATOM 0 H LEU A 18 8.328 10.013 -37.795 1.00 23.03 H new ATOM 0 HA LEU A 18 9.309 7.844 -39.558 1.00 11.12 H new ATOM 0 HB2 LEU A 18 6.872 8.648 -39.863 1.00 5.31 H new ATOM 0 HB3 LEU A 18 7.559 10.165 -40.407 1.00 5.31 H new ATOM 0 HG LEU A 18 8.165 7.492 -41.697 1.00 63.41 H new ATOM 0 HD11 LEU A 18 6.601 8.188 -43.469 1.00 44.12 H new ATOM 0 HD12 LEU A 18 5.780 7.995 -41.902 1.00 44.12 H new ATOM 0 HD13 LEU A 18 6.162 9.623 -42.512 1.00 44.12 H new ATOM 0 HD21 LEU A 18 8.965 8.889 -43.563 1.00 15.22 H new ATOM 0 HD22 LEU A 18 8.620 10.352 -42.611 1.00 15.22 H new ATOM 0 HD23 LEU A 18 9.870 9.208 -42.065 1.00 15.22 H new ATOM 295 N PRO A 19 11.292 9.259 -40.008 1.00 32.03 N ATOM 296 CA PRO A 19 12.474 10.036 -40.392 1.00 11.34 C ATOM 297 C PRO A 19 12.392 10.546 -41.826 1.00 54.23 C ATOM 298 O PRO A 19 11.832 9.884 -42.699 1.00 60.43 O ATOM 299 CB PRO A 19 13.621 9.033 -40.246 1.00 12.24 C ATOM 300 CG PRO A 19 12.981 7.699 -40.417 1.00 21.31 C ATOM 301 CD PRO A 19 11.596 7.827 -39.846 1.00 51.21 C ATOM 0 HA PRO A 19 12.590 10.930 -39.779 1.00 11.34 H new ATOM 0 HB2 PRO A 19 14.392 9.201 -40.998 1.00 12.24 H new ATOM 0 HB3 PRO A 19 14.101 9.120 -39.271 1.00 12.24 H new ATOM 0 HG2 PRO A 19 12.945 7.416 -41.469 1.00 21.31 H new ATOM 0 HG3 PRO A 19 13.547 6.925 -39.898 1.00 21.31 H new ATOM 0 HD2 PRO A 19 10.881 7.201 -40.381 1.00 51.21 H new ATOM 0 HD3 PRO A 19 11.563 7.525 -38.799 1.00 51.21 H new ATOM 309 N ALA A 20 12.953 11.727 -42.063 1.00 1.43 N ATOM 310 CA ALA A 20 12.945 12.325 -43.392 1.00 61.54 C ATOM 311 C ALA A 20 13.672 13.665 -43.396 1.00 53.24 C ATOM 312 O ALA A 20 14.812 13.764 -43.852 1.00 34.13 O ATOM 313 CB ALA A 20 11.516 12.495 -43.886 1.00 10.02 C ATOM 0 H ALA A 20 13.419 12.289 -41.351 1.00 1.43 H new ATOM 0 HA ALA A 20 13.474 11.653 -44.068 1.00 61.54 H new ATOM 0 HB1 ALA A 20 11.525 12.943 -44.880 1.00 10.02 H new ATOM 0 HB2 ALA A 20 11.028 11.521 -43.931 1.00 10.02 H new ATOM 0 HB3 ALA A 20 10.969 13.143 -43.201 1.00 10.02 H new ATOM 319 N CYS A 21 13.005 14.696 -42.887 1.00 70.33 N ATOM 320 CA CYS A 21 13.586 16.032 -42.833 1.00 22.40 C ATOM 321 C CYS A 21 13.300 16.695 -41.489 1.00 25.13 C ATOM 322 O CYS A 21 14.175 17.331 -40.901 1.00 32.45 O ATOM 323 CB CYS A 21 13.035 16.897 -43.968 1.00 63.33 C ATOM 324 SG CYS A 21 11.224 16.824 -44.147 1.00 71.30 S ATOM 0 H CYS A 21 12.061 14.631 -42.506 1.00 70.33 H new ATOM 0 HA CYS A 21 14.666 15.937 -42.949 1.00 22.40 H new ATOM 0 HB2 CYS A 21 13.331 17.932 -43.798 1.00 63.33 H new ATOM 0 HB3 CYS A 21 13.495 16.584 -44.905 1.00 63.33 H new ATOM 0 HG CYS A 21 10.684 17.811 -43.497 1.00 71.30 H new ATOM 329 N MET A 22 12.071 16.541 -41.009 1.00 14.40 N ATOM 330 CA MET A 22 11.670 17.124 -39.734 1.00 1.05 C ATOM 331 C MET A 22 11.378 16.035 -38.706 1.00 71.02 C ATOM 332 O MET A 22 11.686 14.863 -38.925 1.00 34.22 O ATOM 333 CB MET A 22 10.437 18.011 -39.918 1.00 63.14 C ATOM 334 CG MET A 22 10.503 19.313 -39.137 1.00 35.14 C ATOM 335 SD MET A 22 8.871 20.003 -38.800 1.00 3.34 S ATOM 336 CE MET A 22 8.256 18.841 -37.583 1.00 45.04 C ATOM 0 H MET A 22 11.335 16.017 -41.483 1.00 14.40 H new ATOM 0 HA MET A 22 12.495 17.734 -39.367 1.00 1.05 H new ATOM 0 HB2 MET A 22 10.318 18.238 -40.977 1.00 63.14 H new ATOM 0 HB3 MET A 22 9.551 17.456 -39.609 1.00 63.14 H new ATOM 0 HG2 MET A 22 11.022 19.141 -38.194 1.00 35.14 H new ATOM 0 HG3 MET A 22 11.092 20.039 -39.697 1.00 35.14 H new ATOM 0 HE1 MET A 22 7.345 19.234 -37.133 1.00 45.04 H new ATOM 0 HE2 MET A 22 8.040 17.888 -38.066 1.00 45.04 H new ATOM 0 HE3 MET A 22 9.009 18.693 -36.809 1.00 45.04 H new ATOM 346 N HIS A 23 10.783 16.430 -37.585 1.00 33.50 N ATOM 347 CA HIS A 23 10.449 15.486 -36.524 1.00 11.12 C ATOM 348 C HIS A 23 8.944 15.243 -36.466 1.00 52.42 C ATOM 349 O HIS A 23 8.179 16.123 -36.073 1.00 10.41 O ATOM 350 CB HIS A 23 10.945 16.007 -35.175 1.00 23.03 C ATOM 351 CG HIS A 23 12.438 16.059 -35.065 1.00 41.33 C ATOM 352 ND1 HIS A 23 13.148 15.356 -34.115 1.00 1.20 N ATOM 353 CD2 HIS A 23 13.356 16.735 -35.795 1.00 41.10 C ATOM 354 CE1 HIS A 23 14.438 15.599 -34.264 1.00 21.32 C ATOM 355 NE2 HIS A 23 14.591 16.432 -35.277 1.00 3.20 N ATOM 0 H HIS A 23 10.522 17.396 -37.388 1.00 33.50 H new ATOM 0 HA HIS A 23 10.944 14.540 -36.745 1.00 11.12 H new ATOM 0 HB2 HIS A 23 10.542 17.006 -35.010 1.00 23.03 H new ATOM 0 HB3 HIS A 23 10.552 15.370 -34.382 1.00 23.03 H new ATOM 0 HD2 HIS A 23 13.155 17.390 -36.629 1.00 41.10 H new ATOM 0 HE1 HIS A 23 15.232 15.186 -33.660 1.00 21.32 H new ATOM 0 HE2 HIS A 23 15.482 16.792 -35.619 1.00 3.20 H new ATOM 363 N GLU A 24 8.527 14.045 -36.862 1.00 32.42 N ATOM 364 CA GLU A 24 7.113 13.688 -36.856 1.00 51.22 C ATOM 365 C GLU A 24 6.869 12.441 -36.011 1.00 4.55 C ATOM 366 O GLU A 24 7.804 11.714 -35.673 1.00 35.44 O ATOM 367 CB GLU A 24 6.618 13.453 -38.285 1.00 13.42 C ATOM 368 CG GLU A 24 7.473 12.475 -39.072 1.00 74.23 C ATOM 369 CD GLU A 24 7.297 12.622 -40.571 1.00 71.33 C ATOM 370 OE1 GLU A 24 6.280 12.126 -41.100 1.00 73.01 O ATOM 371 OE2 GLU A 24 8.176 13.232 -41.215 1.00 73.43 O ATOM 0 H GLU A 24 9.148 13.305 -37.191 1.00 32.42 H new ATOM 0 HA GLU A 24 6.558 14.517 -36.417 1.00 51.22 H new ATOM 0 HB2 GLU A 24 5.594 13.080 -38.249 1.00 13.42 H new ATOM 0 HB3 GLU A 24 6.592 14.406 -38.813 1.00 13.42 H new ATOM 0 HG2 GLU A 24 8.522 12.627 -38.816 1.00 74.23 H new ATOM 0 HG3 GLU A 24 7.218 11.457 -38.778 1.00 74.23 H new ATOM 378 N THR A 25 5.607 12.201 -35.671 1.00 13.22 N ATOM 379 CA THR A 25 5.239 11.045 -34.864 1.00 22.24 C ATOM 380 C THR A 25 3.783 10.656 -35.091 1.00 60.44 C ATOM 381 O THR A 25 2.997 11.439 -35.625 1.00 35.33 O ATOM 382 CB THR A 25 5.458 11.315 -33.363 1.00 32.21 C ATOM 383 OG1 THR A 25 6.649 12.086 -33.172 1.00 42.14 O ATOM 384 CG2 THR A 25 5.563 10.010 -32.588 1.00 10.00 C ATOM 0 H THR A 25 4.822 12.793 -35.942 1.00 13.22 H new ATOM 0 HA THR A 25 5.884 10.224 -35.176 1.00 22.24 H new ATOM 0 HB THR A 25 4.600 11.874 -32.988 1.00 32.21 H new ATOM 0 HG1 THR A 25 6.780 12.254 -32.215 1.00 42.14 H new ATOM 0 HG21 THR A 25 5.717 10.226 -31.531 1.00 10.00 H new ATOM 0 HG22 THR A 25 4.643 9.439 -32.711 1.00 10.00 H new ATOM 0 HG23 THR A 25 6.404 9.429 -32.966 1.00 10.00 H new ATOM 392 N CYS A 26 3.429 9.442 -34.683 1.00 62.55 N ATOM 393 CA CYS A 26 2.067 8.948 -34.843 1.00 32.44 C ATOM 394 C CYS A 26 1.768 7.842 -33.834 1.00 72.24 C ATOM 395 O CYS A 26 2.642 7.045 -33.494 1.00 2.23 O ATOM 396 CB CYS A 26 1.854 8.427 -36.265 1.00 74.04 C ATOM 397 SG CYS A 26 0.172 8.696 -36.911 1.00 52.35 S ATOM 0 H CYS A 26 4.067 8.782 -34.239 1.00 62.55 H new ATOM 0 HA CYS A 26 1.383 9.777 -34.661 1.00 32.44 H new ATOM 0 HB2 CYS A 26 2.569 8.913 -36.929 1.00 74.04 H new ATOM 0 HB3 CYS A 26 2.073 7.360 -36.286 1.00 74.04 H new ATOM 402 N SER A 27 0.526 7.800 -33.361 1.00 64.23 N ATOM 403 CA SER A 27 0.112 6.794 -32.390 1.00 3.54 C ATOM 404 C SER A 27 -1.407 6.766 -32.251 1.00 2.42 C ATOM 405 O SER A 27 -2.032 7.781 -31.946 1.00 74.04 O ATOM 406 CB SER A 27 0.755 7.074 -31.030 1.00 30.14 C ATOM 407 OG SER A 27 -0.184 7.633 -30.127 1.00 63.12 O ATOM 0 H SER A 27 -0.210 8.451 -33.634 1.00 64.23 H new ATOM 0 HA SER A 27 0.444 5.820 -32.748 1.00 3.54 H new ATOM 0 HB2 SER A 27 1.156 6.149 -30.616 1.00 30.14 H new ATOM 0 HB3 SER A 27 1.595 7.757 -31.155 1.00 30.14 H new ATOM 0 HG SER A 27 -0.396 6.979 -29.429 1.00 63.12 H new ATOM 413 N GLY A 28 -1.994 5.595 -32.477 1.00 10.03 N ATOM 414 CA GLY A 28 -3.435 5.455 -32.373 1.00 3.14 C ATOM 415 C GLY A 28 -3.846 4.131 -31.761 1.00 61.50 C ATOM 416 O GLY A 28 -4.021 3.140 -32.469 1.00 24.42 O ATOM 0 H GLY A 28 -1.498 4.741 -32.730 1.00 10.03 H new ATOM 0 HA2 GLY A 28 -3.833 6.270 -31.769 1.00 3.14 H new ATOM 0 HA3 GLY A 28 -3.878 5.547 -33.365 1.00 3.14 H new ATOM 420 N GLY A 29 -4.000 4.112 -30.440 1.00 45.34 N ATOM 421 CA GLY A 29 -4.390 2.894 -29.756 1.00 24.43 C ATOM 422 C GLY A 29 -4.625 3.111 -28.274 1.00 55.02 C ATOM 423 O GLY A 29 -5.494 2.476 -27.677 1.00 35.33 O ATOM 0 H GLY A 29 -3.861 4.919 -29.832 1.00 45.34 H new ATOM 0 HA2 GLY A 29 -5.299 2.501 -30.211 1.00 24.43 H new ATOM 0 HA3 GLY A 29 -3.614 2.141 -29.891 1.00 24.43 H new ATOM 427 N PHE A 30 -3.849 4.010 -27.679 1.00 10.23 N ATOM 428 CA PHE A 30 -3.976 4.308 -26.257 1.00 22.22 C ATOM 429 C PHE A 30 -3.453 5.707 -25.945 1.00 65.13 C ATOM 430 O PHE A 30 -4.053 6.446 -25.165 1.00 43.44 O ATOM 431 CB PHE A 30 -3.216 3.271 -25.427 1.00 72.52 C ATOM 432 CG PHE A 30 -3.145 3.608 -23.965 1.00 72.53 C ATOM 433 CD1 PHE A 30 -4.285 3.976 -23.269 1.00 53.15 C ATOM 434 CD2 PHE A 30 -1.938 3.556 -23.287 1.00 11.31 C ATOM 435 CE1 PHE A 30 -4.223 4.286 -21.924 1.00 15.50 C ATOM 436 CE2 PHE A 30 -1.870 3.865 -21.941 1.00 52.15 C ATOM 437 CZ PHE A 30 -3.014 4.232 -21.259 1.00 70.15 C ATOM 0 H PHE A 30 -3.125 4.545 -28.159 1.00 10.23 H new ATOM 0 HA PHE A 30 -5.034 4.268 -25.997 1.00 22.22 H new ATOM 0 HB2 PHE A 30 -3.697 2.300 -25.545 1.00 72.52 H new ATOM 0 HB3 PHE A 30 -2.203 3.175 -25.819 1.00 72.52 H new ATOM 0 HD1 PHE A 30 -5.233 4.021 -23.784 1.00 53.15 H new ATOM 0 HD2 PHE A 30 -1.040 3.271 -23.816 1.00 11.31 H new ATOM 0 HE1 PHE A 30 -5.119 4.570 -21.393 1.00 15.50 H new ATOM 0 HE2 PHE A 30 -0.923 3.819 -21.423 1.00 52.15 H new ATOM 0 HZ PHE A 30 -2.963 4.476 -20.208 1.00 70.15 H new ATOM 447 N SER A 31 -2.329 6.063 -26.560 1.00 71.42 N ATOM 448 CA SER A 31 -1.722 7.371 -26.346 1.00 24.20 C ATOM 449 C SER A 31 -2.402 8.433 -27.204 1.00 33.02 C ATOM 450 O SER A 31 -2.595 9.569 -26.769 1.00 51.30 O ATOM 451 CB SER A 31 -0.227 7.321 -26.667 1.00 25.01 C ATOM 452 OG SER A 31 0.545 7.193 -25.485 1.00 72.10 O ATOM 0 H SER A 31 -1.821 5.464 -27.210 1.00 71.42 H new ATOM 0 HA SER A 31 -1.853 7.638 -25.297 1.00 24.20 H new ATOM 0 HB2 SER A 31 -0.022 6.481 -27.331 1.00 25.01 H new ATOM 0 HB3 SER A 31 0.064 8.227 -27.199 1.00 25.01 H new ATOM 0 HG SER A 31 1.496 7.162 -25.718 1.00 72.10 H new ATOM 458 N LEU A 32 -2.764 8.055 -28.425 1.00 13.31 N ATOM 459 CA LEU A 32 -3.424 8.974 -29.346 1.00 11.31 C ATOM 460 C LEU A 32 -2.636 10.273 -29.477 1.00 45.31 C ATOM 461 O LEU A 32 -2.871 11.233 -28.742 1.00 74.34 O ATOM 462 CB LEU A 32 -4.846 9.274 -28.868 1.00 21.54 C ATOM 463 CG LEU A 32 -5.593 10.371 -29.627 1.00 25.11 C ATOM 464 CD1 LEU A 32 -6.779 9.787 -30.379 1.00 4.51 C ATOM 465 CD2 LEU A 32 -6.050 11.464 -28.672 1.00 24.12 C ATOM 0 H LEU A 32 -2.612 7.119 -28.800 1.00 13.31 H new ATOM 0 HA LEU A 32 -3.469 8.497 -30.325 1.00 11.31 H new ATOM 0 HB2 LEU A 32 -5.430 8.356 -28.930 1.00 21.54 H new ATOM 0 HB3 LEU A 32 -4.802 9.554 -27.815 1.00 21.54 H new ATOM 0 HG LEU A 32 -4.911 10.813 -30.353 1.00 25.11 H new ATOM 0 HD11 LEU A 32 -7.299 10.582 -30.913 1.00 4.51 H new ATOM 0 HD12 LEU A 32 -6.427 9.041 -31.092 1.00 4.51 H new ATOM 0 HD13 LEU A 32 -7.463 9.318 -29.672 1.00 4.51 H new ATOM 0 HD21 LEU A 32 -6.580 12.236 -29.230 1.00 24.12 H new ATOM 0 HD22 LEU A 32 -6.716 11.037 -27.922 1.00 24.12 H new ATOM 0 HD23 LEU A 32 -5.182 11.903 -28.179 1.00 24.12 H new ATOM 477 N LYS A 33 -1.699 10.298 -30.419 1.00 50.24 N ATOM 478 CA LYS A 33 -0.877 11.480 -30.651 1.00 11.12 C ATOM 479 C LYS A 33 -0.150 11.384 -31.988 1.00 73.14 C ATOM 480 O LYS A 33 -0.051 10.307 -32.575 1.00 50.32 O ATOM 481 CB LYS A 33 0.138 11.651 -29.518 1.00 73.30 C ATOM 482 CG LYS A 33 1.076 10.467 -29.358 1.00 74.32 C ATOM 483 CD LYS A 33 2.444 10.903 -28.863 1.00 23.55 C ATOM 484 CE LYS A 33 3.551 10.424 -29.789 1.00 62.42 C ATOM 485 NZ LYS A 33 4.778 10.042 -29.037 1.00 22.14 N ATOM 0 H LYS A 33 -1.490 9.512 -31.035 1.00 50.24 H new ATOM 0 HA LYS A 33 -1.534 12.349 -30.677 1.00 11.12 H new ATOM 0 HB2 LYS A 33 0.728 12.549 -29.702 1.00 73.30 H new ATOM 0 HB3 LYS A 33 -0.398 11.808 -28.582 1.00 73.30 H new ATOM 0 HG2 LYS A 33 0.645 9.752 -28.657 1.00 74.32 H new ATOM 0 HG3 LYS A 33 1.181 9.953 -30.313 1.00 74.32 H new ATOM 0 HD2 LYS A 33 2.476 11.990 -28.789 1.00 23.55 H new ATOM 0 HD3 LYS A 33 2.611 10.510 -27.860 1.00 23.55 H new ATOM 0 HE2 LYS A 33 3.198 9.569 -30.365 1.00 62.42 H new ATOM 0 HE3 LYS A 33 3.793 11.211 -30.503 1.00 62.42 H new ATOM 0 HZ1 LYS A 33 5.326 9.355 -29.593 1.00 22.14 H new ATOM 0 HZ2 LYS A 33 5.357 10.888 -28.865 1.00 22.14 H new ATOM 0 HZ3 LYS A 33 4.509 9.616 -28.127 1.00 22.14 H new ATOM 499 N ASN A 34 0.357 12.517 -32.464 1.00 24.43 N ATOM 500 CA ASN A 34 1.076 12.559 -33.732 1.00 3.11 C ATOM 501 C ASN A 34 1.769 13.905 -33.920 1.00 2.34 C ATOM 502 O ASN A 34 1.192 14.956 -33.641 1.00 10.41 O ATOM 503 CB ASN A 34 0.116 12.300 -34.895 1.00 4.41 C ATOM 504 CG ASN A 34 -1.191 13.054 -34.744 1.00 71.30 C ATOM 505 OD1 ASN A 34 -1.230 14.280 -34.851 1.00 21.42 O ATOM 506 ND2 ASN A 34 -2.270 12.321 -34.494 1.00 12.40 N ATOM 0 H ASN A 34 0.283 13.418 -31.991 1.00 24.43 H new ATOM 0 HA ASN A 34 1.836 11.778 -33.716 1.00 3.11 H new ATOM 0 HB2 ASN A 34 0.595 12.592 -35.830 1.00 4.41 H new ATOM 0 HB3 ASN A 34 -0.090 11.232 -34.962 1.00 4.41 H new ATOM 0 HD21 ASN A 34 -3.178 12.772 -34.383 1.00 12.40 H new ATOM 0 HD22 ASN A 34 -2.190 11.307 -34.414 1.00 12.40 H new ATOM 513 N ASP A 35 3.009 13.865 -34.394 1.00 24.10 N ATOM 514 CA ASP A 35 3.781 15.081 -34.621 1.00 2.21 C ATOM 515 C ASP A 35 3.859 15.406 -36.109 1.00 72.25 C ATOM 516 O ASP A 35 4.284 14.577 -36.915 1.00 44.41 O ATOM 517 CB ASP A 35 5.190 14.932 -34.045 1.00 21.43 C ATOM 518 CG ASP A 35 5.348 15.635 -32.711 1.00 50.32 C ATOM 519 OD1 ASP A 35 4.645 15.253 -31.752 1.00 45.14 O ATOM 520 OD2 ASP A 35 6.173 16.569 -32.627 1.00 25.13 O ATOM 0 H ASP A 35 3.501 13.003 -34.629 1.00 24.10 H new ATOM 0 HA ASP A 35 3.275 15.902 -34.114 1.00 2.21 H new ATOM 0 HB2 ASP A 35 5.420 13.873 -33.924 1.00 21.43 H new ATOM 0 HB3 ASP A 35 5.913 15.336 -34.753 1.00 21.43 H new ATOM 525 N CYS A 36 3.444 16.616 -36.468 1.00 53.03 N ATOM 526 CA CYS A 36 3.464 17.051 -37.860 1.00 22.43 C ATOM 527 C CYS A 36 4.840 16.825 -38.480 1.00 2.22 C ATOM 528 O CYS A 36 5.799 16.492 -37.783 1.00 71.23 O ATOM 529 CB CYS A 36 3.084 18.529 -37.960 1.00 13.23 C ATOM 530 SG CYS A 36 1.336 18.820 -38.382 1.00 52.13 S ATOM 0 H CYS A 36 3.089 17.314 -35.814 1.00 53.03 H new ATOM 0 HA CYS A 36 2.734 16.458 -38.411 1.00 22.43 H new ATOM 0 HB2 CYS A 36 3.303 19.015 -37.009 1.00 13.23 H new ATOM 0 HB3 CYS A 36 3.713 19.005 -38.713 1.00 13.23 H new ATOM 0 HG CYS A 36 0.613 17.834 -37.941 1.00 52.13 H new ATOM 535 N TRP A 37 4.929 17.010 -39.792 1.00 33.31 N ATOM 536 CA TRP A 37 6.187 16.827 -40.506 1.00 62.31 C ATOM 537 C TRP A 37 6.601 18.110 -41.217 1.00 41.34 C ATOM 538 O TRP A 37 6.066 19.185 -40.942 1.00 21.41 O ATOM 539 CB TRP A 37 6.062 15.686 -41.518 1.00 2.15 C ATOM 540 CG TRP A 37 5.083 15.971 -42.616 1.00 32.22 C ATOM 541 CD1 TRP A 37 3.729 16.102 -42.493 1.00 0.21 C ATOM 542 CD2 TRP A 37 5.382 16.157 -44.004 1.00 33.15 C ATOM 543 NE1 TRP A 37 3.168 16.359 -43.721 1.00 23.12 N ATOM 544 CE2 TRP A 37 4.161 16.398 -44.664 1.00 10.32 C ATOM 545 CE3 TRP A 37 6.561 16.145 -44.752 1.00 45.33 C ATOM 546 CZ2 TRP A 37 4.089 16.624 -46.036 1.00 1.22 C ATOM 547 CZ3 TRP A 37 6.488 16.369 -46.114 1.00 4.41 C ATOM 548 CH2 TRP A 37 5.260 16.607 -46.744 1.00 53.13 C ATOM 0 H TRP A 37 4.145 17.287 -40.383 1.00 33.31 H new ATOM 0 HA TRP A 37 6.956 16.574 -39.776 1.00 62.31 H new ATOM 0 HB2 TRP A 37 7.041 15.489 -41.956 1.00 2.15 H new ATOM 0 HB3 TRP A 37 5.758 14.779 -40.996 1.00 2.15 H new ATOM 0 HD1 TRP A 37 3.180 16.016 -41.567 1.00 0.21 H new ATOM 0 HE1 TRP A 37 2.174 16.498 -43.901 1.00 23.12 H new ATOM 0 HE3 TRP A 37 7.513 15.964 -44.275 1.00 45.33 H new ATOM 0 HZ2 TRP A 37 3.143 16.806 -46.524 1.00 1.22 H new ATOM 0 HZ3 TRP A 37 7.394 16.360 -46.703 1.00 4.41 H new ATOM 0 HH2 TRP A 37 5.237 16.781 -47.810 1.00 53.13 H new ATOM 559 N CYS A 38 7.556 17.992 -42.134 1.00 2.44 N ATOM 560 CA CYS A 38 8.042 19.143 -42.885 1.00 3.42 C ATOM 561 C CYS A 38 6.882 20.022 -43.344 1.00 5.50 C ATOM 562 O CYS A 38 5.754 19.553 -43.491 1.00 54.21 O ATOM 563 CB CYS A 38 8.857 18.682 -44.095 1.00 1.13 C ATOM 564 SG CYS A 38 10.262 17.600 -43.676 1.00 52.35 S ATOM 0 H CYS A 38 8.009 17.110 -42.375 1.00 2.44 H new ATOM 0 HA CYS A 38 8.682 19.731 -42.227 1.00 3.42 H new ATOM 0 HB2 CYS A 38 8.198 18.153 -44.784 1.00 1.13 H new ATOM 0 HB3 CYS A 38 9.232 19.559 -44.623 1.00 1.13 H new ATOM 0 HG CYS A 38 10.817 17.166 -44.769 1.00 52.35 H new ATOM 569 N CYS A 39 7.169 21.300 -43.569 1.00 41.31 N ATOM 570 CA CYS A 39 6.152 22.246 -44.011 1.00 53.33 C ATOM 571 C CYS A 39 6.611 22.995 -45.259 1.00 72.23 C ATOM 572 O CYS A 39 7.544 22.571 -45.943 1.00 11.31 O ATOM 573 CB CYS A 39 5.832 23.242 -42.895 1.00 13.12 C ATOM 574 SG CYS A 39 4.050 23.524 -42.638 1.00 43.33 S ATOM 0 H CYS A 39 8.098 21.704 -43.452 1.00 41.31 H new ATOM 0 HA CYS A 39 5.251 21.683 -44.256 1.00 53.33 H new ATOM 0 HB2 CYS A 39 6.270 22.881 -41.964 1.00 13.12 H new ATOM 0 HB3 CYS A 39 6.310 24.194 -43.124 1.00 13.12 H new ATOM 0 HG CYS A 39 3.872 24.205 -41.545 1.00 43.33 H new ATOM 579 N LEU A 40 5.949 24.109 -45.550 1.00 44.54 N ATOM 580 CA LEU A 40 6.289 24.918 -46.716 1.00 11.40 C ATOM 581 C LEU A 40 7.797 25.125 -46.815 1.00 10.34 C ATOM 582 O LEU A 40 8.389 24.949 -47.879 1.00 63.33 O ATOM 583 CB LEU A 40 5.580 26.272 -46.646 1.00 5.34 C ATOM 584 CG LEU A 40 5.185 26.893 -47.986 1.00 11.32 C ATOM 585 CD1 LEU A 40 6.404 27.056 -48.880 1.00 25.44 C ATOM 586 CD2 LEU A 40 4.126 26.045 -48.675 1.00 14.25 C ATOM 0 H LEU A 40 5.174 24.473 -44.995 1.00 44.54 H new ATOM 0 HA LEU A 40 5.955 24.385 -47.607 1.00 11.40 H new ATOM 0 HB2 LEU A 40 4.680 26.157 -46.042 1.00 5.34 H new ATOM 0 HB3 LEU A 40 6.229 26.973 -46.121 1.00 5.34 H new ATOM 0 HG LEU A 40 4.765 27.881 -47.796 1.00 11.32 H new ATOM 0 HD11 LEU A 40 6.103 27.499 -49.829 1.00 25.44 H new ATOM 0 HD12 LEU A 40 7.130 27.705 -48.390 1.00 25.44 H new ATOM 0 HD13 LEU A 40 6.855 26.080 -49.062 1.00 25.44 H new ATOM 0 HD21 LEU A 40 3.857 26.502 -49.627 1.00 14.25 H new ATOM 0 HD22 LEU A 40 4.520 25.044 -48.851 1.00 14.25 H new ATOM 0 HD23 LEU A 40 3.242 25.981 -48.041 1.00 14.25 H new ATOM 598 N ARG A 41 8.412 25.498 -45.697 1.00 42.43 N ATOM 599 CA ARG A 41 9.851 25.728 -45.658 1.00 3.13 C ATOM 600 C ARG A 41 10.300 26.124 -44.254 1.00 23.40 C ATOM 601 O ARG A 41 9.808 27.099 -43.685 1.00 24.12 O ATOM 602 CB ARG A 41 10.243 26.819 -46.656 1.00 72.12 C ATOM 603 CG ARG A 41 9.415 28.087 -46.529 1.00 12.14 C ATOM 604 CD ARG A 41 9.870 29.151 -47.515 1.00 53.12 C ATOM 605 NE ARG A 41 9.520 28.807 -48.891 1.00 2.11 N ATOM 606 CZ ARG A 41 9.536 29.679 -49.893 1.00 72.10 C ATOM 607 NH1 ARG A 41 9.882 30.940 -49.674 1.00 24.31 N ATOM 608 NH2 ARG A 41 9.205 29.290 -51.118 1.00 31.23 N ATOM 0 H ARG A 41 7.936 25.647 -44.807 1.00 42.43 H new ATOM 0 HA ARG A 41 10.349 24.798 -45.933 1.00 3.13 H new ATOM 0 HB2 ARG A 41 11.295 27.067 -46.516 1.00 72.12 H new ATOM 0 HB3 ARG A 41 10.140 26.428 -47.668 1.00 72.12 H new ATOM 0 HG2 ARG A 41 8.364 27.855 -46.702 1.00 12.14 H new ATOM 0 HG3 ARG A 41 9.493 28.474 -45.513 1.00 12.14 H new ATOM 0 HD2 ARG A 41 9.415 30.106 -47.253 1.00 53.12 H new ATOM 0 HD3 ARG A 41 10.950 29.280 -47.437 1.00 53.12 H new ATOM 0 HE ARG A 41 9.249 27.845 -49.093 1.00 2.11 H new ATOM 0 HH11 ARG A 41 10.137 31.243 -48.734 1.00 24.31 H new ATOM 0 HH12 ARG A 41 9.893 31.607 -50.446 1.00 24.31 H new ATOM 0 HH21 ARG A 41 8.938 28.321 -51.291 1.00 31.23 H new ATOM 0 HH22 ARG A 41 9.218 29.960 -51.887 1.00 31.23 H new ATOM 622 N LEU A 42 11.236 25.360 -43.701 1.00 45.30 N ATOM 623 CA LEU A 42 11.752 25.630 -42.363 1.00 41.33 C ATOM 624 C LEU A 42 13.225 25.248 -42.260 1.00 61.11 C ATOM 625 O LEU A 42 13.669 24.274 -42.869 1.00 4.31 O ATOM 626 CB LEU A 42 10.940 24.864 -41.318 1.00 70.30 C ATOM 627 CG LEU A 42 10.518 23.446 -41.704 1.00 33.42 C ATOM 628 CD1 LEU A 42 11.023 22.441 -40.680 1.00 12.01 C ATOM 629 CD2 LEU A 42 9.004 23.358 -41.838 1.00 64.23 C ATOM 0 H LEU A 42 11.653 24.549 -44.158 1.00 45.30 H new ATOM 0 HA LEU A 42 11.659 26.699 -42.173 1.00 41.33 H new ATOM 0 HB2 LEU A 42 11.525 24.810 -40.400 1.00 70.30 H new ATOM 0 HB3 LEU A 42 10.043 25.440 -41.091 1.00 70.30 H new ATOM 0 HG LEU A 42 10.963 23.205 -42.669 1.00 33.42 H new ATOM 0 HD11 LEU A 42 10.713 21.438 -40.972 1.00 12.01 H new ATOM 0 HD12 LEU A 42 12.111 22.485 -40.633 1.00 12.01 H new ATOM 0 HD13 LEU A 42 10.607 22.679 -39.701 1.00 12.01 H new ATOM 0 HD21 LEU A 42 8.722 22.342 -42.113 1.00 64.23 H new ATOM 0 HD22 LEU A 42 8.539 23.619 -40.887 1.00 64.23 H new ATOM 0 HD23 LEU A 42 8.666 24.050 -42.609 1.00 64.23 H new ATOM 641 N LYS A 43 13.978 26.019 -41.484 1.00 3.44 N ATOM 642 CA LYS A 43 15.401 25.761 -41.296 1.00 70.35 C ATOM 643 C LYS A 43 15.658 25.073 -39.959 1.00 73.14 C ATOM 644 O LYS A 43 16.652 24.366 -39.794 1.00 22.35 O ATOM 645 CB LYS A 43 16.192 27.069 -41.369 1.00 61.33 C ATOM 646 CG LYS A 43 15.782 27.964 -42.526 1.00 22.20 C ATOM 647 CD LYS A 43 15.102 29.231 -42.036 1.00 51.23 C ATOM 648 CE LYS A 43 14.801 30.182 -43.185 1.00 25.10 C ATOM 649 NZ LYS A 43 13.420 30.733 -43.102 1.00 64.44 N ATOM 0 H LYS A 43 13.626 26.829 -40.974 1.00 3.44 H new ATOM 0 HA LYS A 43 15.733 25.098 -42.095 1.00 70.35 H new ATOM 0 HB2 LYS A 43 16.062 27.615 -40.435 1.00 61.33 H new ATOM 0 HB3 LYS A 43 17.253 26.837 -41.458 1.00 61.33 H new ATOM 0 HG2 LYS A 43 16.662 28.226 -43.114 1.00 22.20 H new ATOM 0 HG3 LYS A 43 15.107 27.420 -43.187 1.00 22.20 H new ATOM 0 HD2 LYS A 43 14.175 28.973 -41.524 1.00 51.23 H new ATOM 0 HD3 LYS A 43 15.741 29.730 -41.307 1.00 51.23 H new ATOM 0 HE2 LYS A 43 15.520 31.001 -43.176 1.00 25.10 H new ATOM 0 HE3 LYS A 43 14.927 29.658 -44.132 1.00 25.10 H new ATOM 0 HZ1 LYS A 43 13.254 31.376 -43.902 1.00 64.44 H new ATOM 0 HZ2 LYS A 43 12.733 29.953 -43.136 1.00 64.44 H new ATOM 0 HZ3 LYS A 43 13.308 31.255 -42.210 1.00 64.44 H new ATOM 663 N THR A 44 14.754 25.283 -39.007 1.00 52.35 N ATOM 664 CA THR A 44 14.882 24.683 -37.685 1.00 43.55 C ATOM 665 C THR A 44 13.739 23.714 -37.408 1.00 11.31 C ATOM 666 O THR A 44 13.954 22.611 -36.907 1.00 23.45 O ATOM 667 CB THR A 44 14.909 25.757 -36.582 1.00 3.45 C ATOM 668 OG1 THR A 44 14.894 25.135 -35.292 1.00 63.10 O ATOM 669 CG2 THR A 44 13.720 26.696 -36.711 1.00 14.51 C ATOM 0 H THR A 44 13.925 25.865 -39.127 1.00 52.35 H new ATOM 0 HA THR A 44 15.826 24.138 -37.675 1.00 43.55 H new ATOM 0 HB THR A 44 15.824 26.338 -36.694 1.00 3.45 H new ATOM 0 HG1 THR A 44 14.913 25.825 -34.596 1.00 63.10 H new ATOM 0 HG21 THR A 44 13.761 27.446 -35.921 1.00 14.51 H new ATOM 0 HG22 THR A 44 13.750 27.190 -37.682 1.00 14.51 H new ATOM 0 HG23 THR A 44 12.795 26.126 -36.623 1.00 14.51 H new ATOM 677 N LYS A 45 12.522 24.133 -37.737 1.00 74.14 N ATOM 678 CA LYS A 45 11.343 23.301 -37.526 1.00 13.33 C ATOM 679 C LYS A 45 10.074 24.041 -37.939 1.00 21.33 C ATOM 680 O LYS A 45 9.111 23.429 -38.399 1.00 61.44 O ATOM 681 CB LYS A 45 11.246 22.882 -36.057 1.00 61.11 C ATOM 682 CG LYS A 45 9.886 22.328 -35.671 1.00 74.31 C ATOM 683 CD LYS A 45 9.850 21.903 -34.213 1.00 12.35 C ATOM 684 CE LYS A 45 10.863 20.805 -33.926 1.00 52.45 C ATOM 685 NZ LYS A 45 10.256 19.674 -33.173 1.00 31.44 N ATOM 0 H LYS A 45 12.326 25.044 -38.151 1.00 74.14 H new ATOM 0 HA LYS A 45 11.442 22.410 -38.146 1.00 13.33 H new ATOM 0 HB2 LYS A 45 12.007 22.129 -35.852 1.00 61.11 H new ATOM 0 HB3 LYS A 45 11.471 23.743 -35.427 1.00 61.11 H new ATOM 0 HG2 LYS A 45 9.121 23.083 -35.850 1.00 74.31 H new ATOM 0 HG3 LYS A 45 9.646 21.475 -36.306 1.00 74.31 H new ATOM 0 HD2 LYS A 45 10.055 22.764 -33.577 1.00 12.35 H new ATOM 0 HD3 LYS A 45 8.850 21.551 -33.960 1.00 12.35 H new ATOM 0 HE2 LYS A 45 11.275 20.436 -34.865 1.00 52.45 H new ATOM 0 HE3 LYS A 45 11.694 21.218 -33.354 1.00 52.45 H new ATOM 0 HZ1 LYS A 45 10.978 18.947 -32.997 1.00 31.44 H new ATOM 0 HZ2 LYS A 45 9.885 20.021 -32.265 1.00 31.44 H new ATOM 0 HZ3 LYS A 45 9.480 19.263 -33.730 1.00 31.44 H new ATOM 699 N GLN A 46 10.082 25.359 -37.772 1.00 1.33 N ATOM 700 CA GLN A 46 8.932 26.181 -38.128 1.00 74.14 C ATOM 701 C GLN A 46 9.367 27.418 -38.907 1.00 14.35 C ATOM 702 O GLN A 46 10.489 27.899 -38.751 1.00 31.42 O ATOM 703 CB GLN A 46 8.166 26.598 -36.871 1.00 63.51 C ATOM 704 CG GLN A 46 9.019 27.348 -35.860 1.00 70.54 C ATOM 705 CD GLN A 46 8.605 28.798 -35.710 1.00 43.22 C ATOM 706 OE1 GLN A 46 9.391 29.710 -35.971 1.00 73.03 O ATOM 707 NE2 GLN A 46 7.366 29.020 -35.288 1.00 2.04 N ATOM 0 H GLN A 46 10.872 25.881 -37.392 1.00 1.33 H new ATOM 0 HA GLN A 46 8.276 25.586 -38.763 1.00 74.14 H new ATOM 0 HB2 GLN A 46 7.324 27.226 -37.160 1.00 63.51 H new ATOM 0 HB3 GLN A 46 7.752 25.709 -36.396 1.00 63.51 H new ATOM 0 HG2 GLN A 46 8.949 26.852 -34.892 1.00 70.54 H new ATOM 0 HG3 GLN A 46 10.064 27.302 -36.167 1.00 70.54 H new ATOM 0 HE21 GLN A 46 6.748 28.234 -35.083 1.00 2.04 H new ATOM 0 HE22 GLN A 46 7.032 29.976 -35.168 1.00 2.04 H new ATOM 716 N ALA A 47 8.471 27.929 -39.745 1.00 11.32 N ATOM 717 CA ALA A 47 8.762 29.112 -40.546 1.00 72.31 C ATOM 718 C ALA A 47 7.567 29.496 -41.412 1.00 32.30 C ATOM 719 O ALA A 47 6.848 30.447 -41.107 1.00 53.41 O ATOM 720 CB ALA A 47 9.989 28.873 -41.413 1.00 22.20 C ATOM 0 H ALA A 47 7.538 27.542 -39.887 1.00 11.32 H new ATOM 0 HA ALA A 47 8.966 29.940 -39.867 1.00 72.31 H new ATOM 0 HB1 ALA A 47 10.195 29.764 -42.006 1.00 22.20 H new ATOM 0 HB2 ALA A 47 10.847 28.654 -40.777 1.00 22.20 H new ATOM 0 HB3 ALA A 47 9.806 28.029 -42.078 1.00 22.20 H new ATOM 726 N ARG A 48 7.361 28.750 -42.493 1.00 2.22 N ATOM 727 CA ARG A 48 6.254 29.014 -43.404 1.00 1.42 C ATOM 728 C ARG A 48 5.338 27.799 -43.513 1.00 51.10 C ATOM 729 O ARG A 48 5.788 26.694 -43.819 1.00 52.54 O ATOM 730 CB ARG A 48 6.784 29.393 -44.788 1.00 60.01 C ATOM 731 CG ARG A 48 7.874 30.452 -44.754 1.00 55.34 C ATOM 732 CD ARG A 48 7.374 31.746 -44.131 1.00 34.02 C ATOM 733 NE ARG A 48 8.418 32.765 -44.072 1.00 62.13 N ATOM 734 CZ ARG A 48 8.254 33.954 -43.504 1.00 53.44 C ATOM 735 NH1 ARG A 48 7.093 34.272 -42.949 1.00 14.52 N ATOM 736 NH2 ARG A 48 9.252 34.828 -43.491 1.00 0.30 N ATOM 0 H ARG A 48 7.946 27.958 -42.759 1.00 2.22 H new ATOM 0 HA ARG A 48 5.677 29.847 -43.003 1.00 1.42 H new ATOM 0 HB2 ARG A 48 7.173 28.499 -45.276 1.00 60.01 H new ATOM 0 HB3 ARG A 48 5.956 29.755 -45.398 1.00 60.01 H new ATOM 0 HG2 ARG A 48 8.727 30.080 -44.187 1.00 55.34 H new ATOM 0 HG3 ARG A 48 8.225 30.647 -45.767 1.00 55.34 H new ATOM 0 HD2 ARG A 48 6.531 32.124 -44.709 1.00 34.02 H new ATOM 0 HD3 ARG A 48 7.006 31.545 -43.125 1.00 34.02 H new ATOM 0 HE ARG A 48 9.324 32.552 -44.490 1.00 62.13 H new ATOM 0 HH11 ARG A 48 6.323 33.603 -42.958 1.00 14.52 H new ATOM 0 HH12 ARG A 48 6.969 35.186 -42.513 1.00 14.52 H new ATOM 0 HH21 ARG A 48 10.147 34.587 -43.918 1.00 0.30 H new ATOM 0 HH22 ARG A 48 9.125 35.741 -43.054 1.00 0.30 H new ATOM 750 N CYS A 49 4.051 28.010 -43.260 1.00 13.31 N ATOM 751 CA CYS A 49 3.071 26.933 -43.328 1.00 54.34 C ATOM 752 C CYS A 49 1.674 27.485 -43.602 1.00 23.01 C ATOM 753 O CYS A 49 1.491 28.694 -43.747 1.00 60.54 O ATOM 754 CB CYS A 49 3.068 26.134 -42.024 1.00 24.30 C ATOM 755 SG CYS A 49 3.097 24.328 -42.259 1.00 23.51 S ATOM 0 H CYS A 49 3.662 28.918 -43.006 1.00 13.31 H new ATOM 0 HA CYS A 49 3.350 26.273 -44.150 1.00 54.34 H new ATOM 0 HB2 CYS A 49 3.933 26.426 -41.429 1.00 24.30 H new ATOM 0 HB3 CYS A 49 2.181 26.401 -41.449 1.00 24.30 H new ATOM 0 HG CYS A 49 4.053 24.013 -43.082 1.00 23.51 H new ATOM 760 N TRP A 50 0.694 26.591 -43.670 1.00 44.32 N ATOM 761 CA TRP A 50 -0.686 26.988 -43.926 1.00 5.41 C ATOM 762 C TRP A 50 -1.575 26.667 -42.730 1.00 71.53 C ATOM 763 O TRP A 50 -1.516 25.568 -42.177 1.00 4.31 O ATOM 764 CB TRP A 50 -1.217 26.286 -45.176 1.00 63.34 C ATOM 765 CG TRP A 50 -0.823 24.842 -45.259 1.00 44.11 C ATOM 766 CD1 TRP A 50 -1.612 23.760 -44.990 1.00 43.42 C ATOM 767 CD2 TRP A 50 0.458 24.324 -45.634 1.00 62.52 C ATOM 768 NE1 TRP A 50 -0.899 22.601 -45.176 1.00 24.54 N ATOM 769 CE2 TRP A 50 0.373 22.919 -45.572 1.00 25.24 C ATOM 770 CE3 TRP A 50 1.667 24.909 -46.019 1.00 24.21 C ATOM 771 CZ2 TRP A 50 1.452 22.094 -45.878 1.00 64.01 C ATOM 772 CZ3 TRP A 50 2.737 24.089 -46.323 1.00 24.35 C ATOM 773 CH2 TRP A 50 2.624 22.694 -46.252 1.00 23.14 C ATOM 0 H TRP A 50 0.829 25.587 -43.552 1.00 44.32 H new ATOM 0 HA TRP A 50 -0.704 28.066 -44.089 1.00 5.41 H new ATOM 0 HB2 TRP A 50 -2.304 26.360 -45.191 1.00 63.34 H new ATOM 0 HB3 TRP A 50 -0.850 26.807 -46.060 1.00 63.34 H new ATOM 0 HD1 TRP A 50 -2.645 23.809 -44.677 1.00 43.42 H new ATOM 0 HE1 TRP A 50 -1.259 21.656 -45.041 1.00 24.54 H new ATOM 0 HE3 TRP A 50 1.764 25.983 -46.078 1.00 24.21 H new ATOM 0 HZ2 TRP A 50 1.367 21.019 -45.822 1.00 64.01 H new ATOM 0 HZ3 TRP A 50 3.677 24.531 -46.620 1.00 24.35 H new ATOM 0 HH2 TRP A 50 3.478 22.080 -46.497 1.00 23.14 H new ATOM 784 N LYS A 51 -2.400 27.630 -42.336 1.00 12.43 N ATOM 785 CA LYS A 51 -3.304 27.450 -41.206 1.00 72.50 C ATOM 786 C LYS A 51 -4.449 26.510 -41.570 1.00 72.14 C ATOM 787 O LYS A 51 -5.019 26.605 -42.657 1.00 34.14 O ATOM 788 CB LYS A 51 -3.863 28.800 -40.752 1.00 72.04 C ATOM 789 CG LYS A 51 -2.817 29.718 -40.144 1.00 32.10 C ATOM 790 CD LYS A 51 -2.289 30.714 -41.163 1.00 23.32 C ATOM 791 CE LYS A 51 -1.303 31.686 -40.533 1.00 30.33 C ATOM 792 NZ LYS A 51 -1.986 32.888 -39.980 1.00 32.23 N ATOM 0 H LYS A 51 -2.462 28.545 -42.783 1.00 12.43 H new ATOM 0 HA LYS A 51 -2.738 27.005 -40.388 1.00 72.50 H new ATOM 0 HB2 LYS A 51 -4.321 29.300 -41.606 1.00 72.04 H new ATOM 0 HB3 LYS A 51 -4.653 28.629 -40.021 1.00 72.04 H new ATOM 0 HG2 LYS A 51 -3.249 30.255 -39.300 1.00 32.10 H new ATOM 0 HG3 LYS A 51 -1.991 29.123 -39.754 1.00 32.10 H new ATOM 0 HD2 LYS A 51 -1.803 30.179 -41.979 1.00 23.32 H new ATOM 0 HD3 LYS A 51 -3.121 31.268 -41.597 1.00 23.32 H new ATOM 0 HE2 LYS A 51 -0.754 31.182 -39.738 1.00 30.33 H new ATOM 0 HE3 LYS A 51 -0.571 31.995 -41.279 1.00 30.33 H new ATOM 0 HZ1 LYS A 51 -1.280 33.526 -39.560 1.00 32.23 H new ATOM 0 HZ2 LYS A 51 -2.489 33.383 -40.744 1.00 32.23 H new ATOM 0 HZ3 LYS A 51 -2.667 32.595 -39.250 1.00 32.23 H new ATOM 806 N GLU A 52 -4.780 25.605 -40.655 1.00 35.13 N ATOM 807 CA GLU A 52 -5.858 24.649 -40.881 1.00 53.22 C ATOM 808 C GLU A 52 -7.199 25.365 -41.023 1.00 22.50 C ATOM 809 O GLU A 52 -8.181 24.782 -41.484 1.00 42.30 O ATOM 810 CB GLU A 52 -5.925 23.640 -39.733 1.00 10.43 C ATOM 811 CG GLU A 52 -4.611 22.923 -39.476 1.00 24.04 C ATOM 812 CD GLU A 52 -4.537 22.321 -38.086 1.00 22.40 C ATOM 813 OE1 GLU A 52 -5.531 21.700 -37.654 1.00 3.51 O ATOM 814 OE2 GLU A 52 -3.484 22.469 -37.431 1.00 10.43 O ATOM 0 H GLU A 52 -4.318 25.513 -39.750 1.00 35.13 H new ATOM 0 HA GLU A 52 -5.649 24.118 -41.809 1.00 53.22 H new ATOM 0 HB2 GLU A 52 -6.231 24.157 -38.823 1.00 10.43 H new ATOM 0 HB3 GLU A 52 -6.695 22.901 -39.954 1.00 10.43 H new ATOM 0 HG2 GLU A 52 -4.481 22.134 -40.217 1.00 24.04 H new ATOM 0 HG3 GLU A 52 -3.787 23.624 -39.609 1.00 24.04 H new ATOM 821 N LYS A 53 -7.232 26.631 -40.623 1.00 11.04 N ATOM 822 CA LYS A 53 -8.450 27.428 -40.705 1.00 12.14 C ATOM 823 C LYS A 53 -8.732 27.844 -42.145 1.00 11.53 C ATOM 824 O LYS A 53 -9.881 27.850 -42.584 1.00 53.44 O ATOM 825 CB LYS A 53 -8.333 28.669 -39.817 1.00 44.53 C ATOM 826 CG LYS A 53 -7.193 29.593 -40.212 1.00 12.24 C ATOM 827 CD LYS A 53 -6.539 30.223 -38.993 1.00 61.04 C ATOM 828 CE LYS A 53 -5.627 31.376 -39.384 1.00 12.10 C ATOM 829 NZ LYS A 53 -6.356 32.674 -39.413 1.00 12.34 N ATOM 0 H LYS A 53 -6.428 27.128 -40.238 1.00 11.04 H new ATOM 0 HA LYS A 53 -9.280 26.815 -40.354 1.00 12.14 H new ATOM 0 HB2 LYS A 53 -9.270 29.224 -39.857 1.00 44.53 H new ATOM 0 HB3 LYS A 53 -8.193 28.354 -38.783 1.00 44.53 H new ATOM 0 HG2 LYS A 53 -6.448 29.033 -40.777 1.00 12.24 H new ATOM 0 HG3 LYS A 53 -7.569 30.376 -40.870 1.00 12.24 H new ATOM 0 HD2 LYS A 53 -7.309 30.582 -38.310 1.00 61.04 H new ATOM 0 HD3 LYS A 53 -5.964 29.468 -38.456 1.00 61.04 H new ATOM 0 HE2 LYS A 53 -4.799 31.440 -38.678 1.00 12.10 H new ATOM 0 HE3 LYS A 53 -5.194 31.180 -40.365 1.00 12.10 H new ATOM 0 HZ1 LYS A 53 -5.700 33.434 -39.684 1.00 12.34 H new ATOM 0 HZ2 LYS A 53 -7.130 32.622 -40.105 1.00 12.34 H new ATOM 0 HZ3 LYS A 53 -6.747 32.874 -38.470 1.00 12.34 H new ATOM 843 N GLU A 54 -7.676 28.190 -42.874 1.00 5.44 N ATOM 844 CA GLU A 54 -7.811 28.607 -44.264 1.00 52.24 C ATOM 845 C GLU A 54 -7.558 27.437 -45.210 1.00 72.32 C ATOM 846 O GLU A 54 -8.270 27.258 -46.199 1.00 45.32 O ATOM 847 CB GLU A 54 -6.840 29.748 -44.575 1.00 64.43 C ATOM 848 CG GLU A 54 -7.162 31.039 -43.842 1.00 72.14 C ATOM 849 CD GLU A 54 -7.664 32.127 -44.771 1.00 42.44 C ATOM 850 OE1 GLU A 54 -7.024 32.353 -45.820 1.00 3.12 O ATOM 851 OE2 GLU A 54 -8.695 32.753 -44.450 1.00 54.34 O ATOM 0 H GLU A 54 -6.718 28.190 -42.525 1.00 5.44 H new ATOM 0 HA GLU A 54 -8.832 28.958 -44.413 1.00 52.24 H new ATOM 0 HB2 GLU A 54 -5.829 29.435 -44.314 1.00 64.43 H new ATOM 0 HB3 GLU A 54 -6.848 29.938 -45.648 1.00 64.43 H new ATOM 0 HG2 GLU A 54 -7.915 30.841 -43.079 1.00 72.14 H new ATOM 0 HG3 GLU A 54 -6.270 31.391 -43.325 1.00 72.14 H new ATOM 858 N PHE A 55 -6.540 26.642 -44.899 1.00 65.04 N ATOM 859 CA PHE A 55 -6.191 25.489 -45.722 1.00 4.34 C ATOM 860 C PHE A 55 -6.387 24.189 -44.947 1.00 54.32 C ATOM 861 O PHE A 55 -5.692 23.907 -43.971 1.00 42.13 O ATOM 862 CB PHE A 55 -4.741 25.597 -46.200 1.00 31.05 C ATOM 863 CG PHE A 55 -4.414 26.922 -46.827 1.00 63.31 C ATOM 864 CD1 PHE A 55 -4.073 28.010 -46.041 1.00 0.43 C ATOM 865 CD2 PHE A 55 -4.446 27.078 -48.203 1.00 52.24 C ATOM 866 CE1 PHE A 55 -3.772 29.231 -46.616 1.00 31.33 C ATOM 867 CE2 PHE A 55 -4.146 28.296 -48.784 1.00 42.02 C ATOM 868 CZ PHE A 55 -3.807 29.373 -47.989 1.00 53.31 C ATOM 0 H PHE A 55 -5.942 26.774 -44.083 1.00 65.04 H new ATOM 0 HA PHE A 55 -6.852 25.479 -46.588 1.00 4.34 H new ATOM 0 HB2 PHE A 55 -4.074 25.430 -45.354 1.00 31.05 H new ATOM 0 HB3 PHE A 55 -4.545 24.804 -46.922 1.00 31.05 H new ATOM 0 HD1 PHE A 55 -4.042 27.904 -44.967 1.00 0.43 H new ATOM 0 HD2 PHE A 55 -4.708 26.238 -48.829 1.00 52.24 H new ATOM 0 HE1 PHE A 55 -3.510 30.073 -45.992 1.00 31.33 H new ATOM 0 HE2 PHE A 55 -4.177 28.405 -49.858 1.00 42.02 H new ATOM 0 HZ PHE A 55 -3.570 30.325 -48.440 1.00 53.31 H new ATOM 878 N PRO A 56 -7.359 23.378 -45.391 1.00 63.13 N ATOM 879 CA PRO A 56 -7.671 22.095 -44.755 1.00 64.52 C ATOM 880 C PRO A 56 -6.572 21.059 -44.970 1.00 73.24 C ATOM 881 O PRO A 56 -6.515 20.047 -44.273 1.00 11.11 O ATOM 882 CB PRO A 56 -8.962 21.658 -45.452 1.00 65.41 C ATOM 883 CG PRO A 56 -8.926 22.339 -46.776 1.00 73.05 C ATOM 884 CD PRO A 56 -8.227 23.651 -46.549 1.00 20.41 C ATOM 0 HA PRO A 56 -7.765 22.189 -43.673 1.00 64.52 H new ATOM 0 HB2 PRO A 56 -9.004 20.575 -45.565 1.00 65.41 H new ATOM 0 HB3 PRO A 56 -9.841 21.953 -44.879 1.00 65.41 H new ATOM 0 HG2 PRO A 56 -8.393 21.735 -47.511 1.00 73.05 H new ATOM 0 HG3 PRO A 56 -9.933 22.495 -47.162 1.00 73.05 H new ATOM 0 HD2 PRO A 56 -7.649 23.955 -47.422 1.00 20.41 H new ATOM 0 HD3 PRO A 56 -8.935 24.453 -46.340 1.00 20.41 H new ATOM 892 N ASN A 57 -5.702 21.319 -45.940 1.00 44.13 N ATOM 893 CA ASN A 57 -4.604 20.409 -46.247 1.00 75.41 C ATOM 894 C ASN A 57 -3.721 20.189 -45.023 1.00 12.13 C ATOM 895 O ASN A 57 -3.223 19.087 -44.794 1.00 0.44 O ATOM 896 CB ASN A 57 -3.766 20.958 -47.403 1.00 0.32 C ATOM 897 CG ASN A 57 -3.804 20.059 -48.623 1.00 40.25 C ATOM 898 OD1 ASN A 57 -4.033 20.521 -49.741 1.00 50.14 O ATOM 899 ND2 ASN A 57 -3.579 18.767 -48.414 1.00 11.42 N ATOM 0 H ASN A 57 -5.736 22.152 -46.527 1.00 44.13 H new ATOM 0 HA ASN A 57 -5.032 19.450 -46.541 1.00 75.41 H new ATOM 0 HB2 ASN A 57 -4.131 21.949 -47.674 1.00 0.32 H new ATOM 0 HB3 ASN A 57 -2.733 21.077 -47.075 1.00 0.32 H new ATOM 0 HD21 ASN A 57 -3.592 18.114 -49.197 1.00 11.42 H new ATOM 0 HD22 ASN A 57 -3.393 18.428 -47.470 1.00 11.42 H new ATOM 906 N ALA A 58 -3.532 21.246 -44.239 1.00 34.30 N ATOM 907 CA ALA A 58 -2.712 21.168 -43.037 1.00 1.13 C ATOM 908 C ALA A 58 -3.202 20.063 -42.108 1.00 32.42 C ATOM 909 O ALA A 58 -2.414 19.254 -41.617 1.00 43.31 O ATOM 910 CB ALA A 58 -2.709 22.506 -42.312 1.00 52.24 C ATOM 0 H ALA A 58 -3.936 22.166 -44.415 1.00 34.30 H new ATOM 0 HA ALA A 58 -1.692 20.928 -43.339 1.00 1.13 H new ATOM 0 HB1 ALA A 58 -2.093 22.433 -41.416 1.00 52.24 H new ATOM 0 HB2 ALA A 58 -2.304 23.275 -42.970 1.00 52.24 H new ATOM 0 HB3 ALA A 58 -3.728 22.770 -42.030 1.00 52.24 H new ATOM 916 N LYS A 59 -4.509 20.033 -41.869 1.00 61.14 N ATOM 917 CA LYS A 59 -5.106 19.026 -41.000 1.00 3.35 C ATOM 918 C LYS A 59 -4.994 17.637 -41.619 1.00 34.20 C ATOM 919 O LYS A 59 -4.585 16.684 -40.957 1.00 32.22 O ATOM 920 CB LYS A 59 -6.575 19.361 -40.731 1.00 61.54 C ATOM 921 CG LYS A 59 -7.315 18.277 -39.966 1.00 53.34 C ATOM 922 CD LYS A 59 -7.963 17.274 -40.906 1.00 40.32 C ATOM 923 CE LYS A 59 -7.644 15.844 -40.500 1.00 72.42 C ATOM 924 NZ LYS A 59 -8.854 14.976 -40.528 1.00 15.43 N ATOM 0 H LYS A 59 -5.175 20.695 -42.266 1.00 61.14 H new ATOM 0 HA LYS A 59 -4.561 19.028 -40.056 1.00 3.35 H new ATOM 0 HB2 LYS A 59 -6.629 20.293 -40.168 1.00 61.54 H new ATOM 0 HB3 LYS A 59 -7.080 19.533 -41.682 1.00 61.54 H new ATOM 0 HG2 LYS A 59 -6.621 17.760 -39.303 1.00 53.34 H new ATOM 0 HG3 LYS A 59 -8.079 18.732 -39.336 1.00 53.34 H new ATOM 0 HD2 LYS A 59 -9.043 17.421 -40.908 1.00 40.32 H new ATOM 0 HD3 LYS A 59 -7.616 17.451 -41.924 1.00 40.32 H new ATOM 0 HE2 LYS A 59 -6.889 15.436 -41.172 1.00 72.42 H new ATOM 0 HE3 LYS A 59 -7.216 15.838 -39.498 1.00 72.42 H new ATOM 0 HZ1 LYS A 59 -8.595 14.009 -40.245 1.00 15.43 H new ATOM 0 HZ2 LYS A 59 -9.565 15.351 -39.868 1.00 15.43 H new ATOM 0 HZ3 LYS A 59 -9.248 14.961 -41.490 1.00 15.43 H new ATOM 938 N GLU A 60 -5.360 17.531 -42.893 1.00 22.43 N ATOM 939 CA GLU A 60 -5.300 16.257 -43.600 1.00 64.03 C ATOM 940 C GLU A 60 -3.878 15.702 -43.602 1.00 50.21 C ATOM 941 O GLU A 60 -3.670 14.496 -43.465 1.00 61.14 O ATOM 942 CB GLU A 60 -5.796 16.423 -45.038 1.00 42.12 C ATOM 943 CG GLU A 60 -7.300 16.265 -45.185 1.00 42.31 C ATOM 944 CD GLU A 60 -7.836 16.926 -46.440 1.00 61.45 C ATOM 945 OE1 GLU A 60 -7.034 17.183 -47.363 1.00 74.43 O ATOM 946 OE2 GLU A 60 -9.056 17.186 -46.500 1.00 63.53 O ATOM 0 H GLU A 60 -5.701 18.311 -43.456 1.00 22.43 H new ATOM 0 HA GLU A 60 -5.947 15.551 -43.079 1.00 64.03 H new ATOM 0 HB2 GLU A 60 -5.505 17.408 -45.402 1.00 42.12 H new ATOM 0 HB3 GLU A 60 -5.298 15.689 -45.672 1.00 42.12 H new ATOM 0 HG2 GLU A 60 -7.550 15.204 -45.202 1.00 42.31 H new ATOM 0 HG3 GLU A 60 -7.794 16.695 -44.313 1.00 42.31 H new ATOM 953 N LEU A 61 -2.903 16.591 -43.758 1.00 61.33 N ATOM 954 CA LEU A 61 -1.500 16.191 -43.779 1.00 0.43 C ATOM 955 C LEU A 61 -1.027 15.792 -42.385 1.00 33.43 C ATOM 956 O LEU A 61 -0.363 14.769 -42.212 1.00 41.31 O ATOM 957 CB LEU A 61 -0.633 17.331 -44.316 1.00 63.04 C ATOM 958 CG LEU A 61 -0.886 17.740 -45.768 1.00 31.12 C ATOM 959 CD1 LEU A 61 -0.434 19.172 -46.006 1.00 3.35 C ATOM 960 CD2 LEU A 61 -0.177 16.789 -46.721 1.00 43.53 C ATOM 0 H LEU A 61 -3.058 17.593 -43.872 1.00 61.33 H new ATOM 0 HA LEU A 61 -1.404 15.327 -44.437 1.00 0.43 H new ATOM 0 HB2 LEU A 61 -0.783 18.205 -43.682 1.00 63.04 H new ATOM 0 HB3 LEU A 61 0.413 17.042 -44.218 1.00 63.04 H new ATOM 0 HG LEU A 61 -1.957 17.683 -45.960 1.00 31.12 H new ATOM 0 HD11 LEU A 61 -0.622 19.445 -47.044 1.00 3.35 H new ATOM 0 HD12 LEU A 61 -0.988 19.842 -45.349 1.00 3.35 H new ATOM 0 HD13 LEU A 61 0.632 19.257 -45.796 1.00 3.35 H new ATOM 0 HD21 LEU A 61 -0.368 17.095 -47.750 1.00 43.53 H new ATOM 0 HD22 LEU A 61 0.896 16.813 -46.528 1.00 43.53 H new ATOM 0 HD23 LEU A 61 -0.550 15.776 -46.569 1.00 43.53 H new ATOM 972 N CYS A 62 -1.376 16.603 -41.392 1.00 11.10 N ATOM 973 CA CYS A 62 -0.990 16.334 -40.012 1.00 43.22 C ATOM 974 C CYS A 62 -1.638 15.049 -39.506 1.00 62.55 C ATOM 975 O CYS A 62 -1.005 14.253 -38.811 1.00 52.51 O ATOM 976 CB CYS A 62 -1.386 17.506 -39.112 1.00 42.20 C ATOM 977 SG CYS A 62 0.017 18.535 -38.571 1.00 33.04 S ATOM 0 H CYS A 62 -1.926 17.453 -41.518 1.00 11.10 H new ATOM 0 HA CYS A 62 0.093 16.210 -39.982 1.00 43.22 H new ATOM 0 HB2 CYS A 62 -2.100 18.134 -39.645 1.00 42.20 H new ATOM 0 HB3 CYS A 62 -1.898 17.117 -38.232 1.00 42.20 H new ATOM 0 HG CYS A 62 1.126 18.027 -39.019 1.00 33.04 H new ATOM 982 N PHE A 63 -2.903 14.851 -39.861 1.00 53.30 N ATOM 983 CA PHE A 63 -3.638 13.663 -39.443 1.00 50.11 C ATOM 984 C PHE A 63 -3.127 12.423 -40.171 1.00 42.44 C ATOM 985 O PHE A 63 -2.957 11.363 -39.570 1.00 55.13 O ATOM 986 CB PHE A 63 -5.134 13.843 -39.708 1.00 12.31 C ATOM 987 CG PHE A 63 -5.730 12.750 -40.548 1.00 51.44 C ATOM 988 CD1 PHE A 63 -6.132 11.556 -39.972 1.00 41.12 C ATOM 989 CD2 PHE A 63 -5.889 12.918 -41.915 1.00 30.44 C ATOM 990 CE1 PHE A 63 -6.680 10.549 -40.744 1.00 23.34 C ATOM 991 CE2 PHE A 63 -6.437 11.914 -42.691 1.00 63.21 C ATOM 992 CZ PHE A 63 -6.834 10.728 -42.104 1.00 45.15 C ATOM 0 H PHE A 63 -3.441 15.498 -40.437 1.00 53.30 H new ATOM 0 HA PHE A 63 -3.479 13.526 -38.373 1.00 50.11 H new ATOM 0 HB2 PHE A 63 -5.661 13.886 -38.755 1.00 12.31 H new ATOM 0 HB3 PHE A 63 -5.294 14.800 -40.204 1.00 12.31 H new ATOM 0 HD1 PHE A 63 -6.016 11.410 -38.908 1.00 41.12 H new ATOM 0 HD2 PHE A 63 -5.581 13.844 -42.379 1.00 30.44 H new ATOM 0 HE1 PHE A 63 -6.988 9.622 -40.283 1.00 23.34 H new ATOM 0 HE2 PHE A 63 -6.555 12.056 -43.755 1.00 63.21 H new ATOM 0 HZ PHE A 63 -7.264 9.943 -42.708 1.00 45.15 H new ATOM 1002 N ALA A 64 -2.884 12.566 -41.470 1.00 63.22 N ATOM 1003 CA ALA A 64 -2.391 11.459 -42.281 1.00 2.21 C ATOM 1004 C ALA A 64 -0.934 11.147 -41.956 1.00 41.11 C ATOM 1005 O ALA A 64 -0.478 10.018 -42.130 1.00 22.12 O ATOM 1006 CB ALA A 64 -2.547 11.778 -43.760 1.00 51.23 C ATOM 0 H ALA A 64 -3.020 13.437 -41.983 1.00 63.22 H new ATOM 0 HA ALA A 64 -2.986 10.576 -42.046 1.00 2.21 H new ATOM 0 HB1 ALA A 64 -2.175 10.943 -44.354 1.00 51.23 H new ATOM 0 HB2 ALA A 64 -3.600 11.944 -43.987 1.00 51.23 H new ATOM 0 HB3 ALA A 64 -1.978 12.676 -44.001 1.00 51.23 H new ATOM 1012 N ASN A 65 -0.208 12.156 -41.484 1.00 74.14 N ATOM 1013 CA ASN A 65 1.198 11.989 -41.137 1.00 20.34 C ATOM 1014 C ASN A 65 1.391 10.790 -40.212 1.00 41.24 C ATOM 1015 O ASN A 65 0.906 10.780 -39.081 1.00 1.54 O ATOM 1016 CB ASN A 65 1.733 13.256 -40.466 1.00 21.50 C ATOM 1017 CG ASN A 65 2.834 12.959 -39.466 1.00 44.44 C ATOM 1018 OD1 ASN A 65 3.988 12.747 -39.841 1.00 53.33 O ATOM 1019 ND2 ASN A 65 2.483 12.944 -38.186 1.00 35.40 N ATOM 0 H ASN A 65 -0.571 13.097 -41.333 1.00 74.14 H new ATOM 0 HA ASN A 65 1.755 11.810 -42.057 1.00 20.34 H new ATOM 0 HB2 ASN A 65 2.112 13.936 -41.229 1.00 21.50 H new ATOM 0 HB3 ASN A 65 0.915 13.769 -39.960 1.00 21.50 H new ATOM 0 HD21 ASN A 65 3.181 12.751 -37.468 1.00 35.40 H new ATOM 0 HD22 ASN A 65 1.515 13.125 -37.920 1.00 35.40 H new ATOM 1026 N CYS A 66 2.103 9.781 -40.702 1.00 43.03 N ATOM 1027 CA CYS A 66 2.362 8.577 -39.922 1.00 13.11 C ATOM 1028 C CYS A 66 3.556 7.810 -40.484 1.00 14.43 C ATOM 1029 O CYS A 66 3.844 7.852 -41.680 1.00 23.52 O ATOM 1030 CB CYS A 66 1.124 7.677 -39.909 1.00 4.34 C ATOM 1031 SG CYS A 66 0.134 7.798 -38.384 1.00 71.44 S ATOM 0 H CYS A 66 2.511 9.773 -41.637 1.00 43.03 H new ATOM 0 HA CYS A 66 2.595 8.879 -38.901 1.00 13.11 H new ATOM 0 HB2 CYS A 66 0.493 7.932 -40.760 1.00 4.34 H new ATOM 0 HB3 CYS A 66 1.439 6.642 -40.044 1.00 4.34 H new ATOM 1036 N PRO A 67 4.267 7.093 -39.601 1.00 13.41 N ATOM 1037 CA PRO A 67 5.440 6.303 -39.985 1.00 40.12 C ATOM 1038 C PRO A 67 5.069 5.085 -40.824 1.00 71.10 C ATOM 1039 O PRO A 67 3.898 4.734 -40.969 1.00 14.40 O ATOM 1040 CB PRO A 67 6.030 5.868 -38.642 1.00 31.44 C ATOM 1041 CG PRO A 67 4.877 5.883 -37.699 1.00 13.13 C ATOM 1042 CD PRO A 67 3.980 6.999 -38.160 1.00 31.43 C ATOM 0 HA PRO A 67 6.131 6.874 -40.604 1.00 40.12 H new ATOM 0 HB2 PRO A 67 6.475 4.875 -38.708 1.00 31.44 H new ATOM 0 HB3 PRO A 67 6.817 6.548 -38.316 1.00 31.44 H new ATOM 0 HG2 PRO A 67 4.350 4.929 -37.711 1.00 13.13 H new ATOM 0 HG3 PRO A 67 5.212 6.049 -36.675 1.00 13.13 H new ATOM 0 HD2 PRO A 67 2.930 6.774 -37.973 1.00 31.43 H new ATOM 0 HD3 PRO A 67 4.203 7.933 -37.644 1.00 31.43 H new ATOM 1050 N PRO A 68 6.089 4.422 -41.390 1.00 54.53 N ATOM 1051 CA PRO A 68 5.894 3.232 -42.224 1.00 12.34 C ATOM 1052 C PRO A 68 5.432 2.026 -41.413 1.00 1.21 C ATOM 1053 O PRO A 68 5.340 2.088 -40.186 1.00 45.01 O ATOM 1054 CB PRO A 68 7.284 2.980 -42.812 1.00 41.34 C ATOM 1055 CG PRO A 68 8.226 3.593 -41.835 1.00 4.32 C ATOM 1056 CD PRO A 68 7.510 4.784 -41.260 1.00 61.01 C ATOM 0 HA PRO A 68 5.119 3.383 -42.976 1.00 12.34 H new ATOM 0 HB2 PRO A 68 7.476 1.914 -42.931 1.00 41.34 H new ATOM 0 HB3 PRO A 68 7.385 3.434 -43.798 1.00 41.34 H new ATOM 0 HG2 PRO A 68 8.493 2.883 -41.052 1.00 4.32 H new ATOM 0 HG3 PRO A 68 9.153 3.893 -42.323 1.00 4.32 H new ATOM 0 HD2 PRO A 68 7.787 4.956 -40.220 1.00 61.01 H new ATOM 0 HD3 PRO A 68 7.744 5.697 -41.808 1.00 61.01 H new ATOM 1064 N LEU A 69 5.143 0.930 -42.105 1.00 34.11 N ATOM 1065 CA LEU A 69 4.690 -0.292 -41.449 1.00 25.13 C ATOM 1066 C LEU A 69 5.852 -1.258 -41.237 1.00 73.21 C ATOM 1067 O LEU A 69 5.965 -2.268 -41.931 1.00 1.00 O ATOM 1068 CB LEU A 69 3.597 -0.966 -42.279 1.00 54.42 C ATOM 1069 CG LEU A 69 2.160 -0.547 -41.963 1.00 23.31 C ATOM 1070 CD1 LEU A 69 2.002 0.959 -42.095 1.00 53.42 C ATOM 1071 CD2 LEU A 69 1.181 -1.271 -42.876 1.00 12.34 C ATOM 0 H LEU A 69 5.214 0.862 -43.120 1.00 34.11 H new ATOM 0 HA LEU A 69 4.282 -0.022 -40.475 1.00 25.13 H new ATOM 0 HB2 LEU A 69 3.791 -0.762 -43.332 1.00 54.42 H new ATOM 0 HB3 LEU A 69 3.678 -2.044 -42.143 1.00 54.42 H new ATOM 0 HG LEU A 69 1.938 -0.825 -40.933 1.00 23.31 H new ATOM 0 HD11 LEU A 69 0.973 1.238 -41.867 1.00 53.42 H new ATOM 0 HD12 LEU A 69 2.677 1.458 -41.399 1.00 53.42 H new ATOM 0 HD13 LEU A 69 2.242 1.262 -43.114 1.00 53.42 H new ATOM 0 HD21 LEU A 69 0.164 -0.961 -42.637 1.00 12.34 H new ATOM 0 HD22 LEU A 69 1.401 -1.024 -43.915 1.00 12.34 H new ATOM 0 HD23 LEU A 69 1.276 -2.347 -42.731 1.00 12.34 H new ATOM 1083 N GLU A 70 6.710 -0.941 -40.273 1.00 22.43 N ATOM 1084 CA GLU A 70 7.862 -1.783 -39.969 1.00 52.04 C ATOM 1085 C GLU A 70 7.493 -2.867 -38.960 1.00 40.51 C ATOM 1086 O GLU A 70 8.366 -3.505 -38.374 1.00 62.31 O ATOM 1087 CB GLU A 70 9.013 -0.934 -39.425 1.00 74.12 C ATOM 1088 CG GLU A 70 9.690 -0.077 -40.482 1.00 34.42 C ATOM 1089 CD GLU A 70 10.516 1.044 -39.882 1.00 72.12 C ATOM 1090 OE1 GLU A 70 11.053 0.857 -38.771 1.00 22.22 O ATOM 1091 OE2 GLU A 70 10.625 2.109 -40.526 1.00 31.15 O ATOM 0 H GLU A 70 6.630 -0.108 -39.689 1.00 22.43 H new ATOM 0 HA GLU A 70 8.181 -2.265 -40.893 1.00 52.04 H new ATOM 0 HB2 GLU A 70 8.634 -0.288 -38.633 1.00 74.12 H new ATOM 0 HB3 GLU A 70 9.755 -1.591 -38.972 1.00 74.12 H new ATOM 0 HG2 GLU A 70 10.332 -0.706 -41.098 1.00 34.42 H new ATOM 0 HG3 GLU A 70 8.932 0.347 -41.141 1.00 34.42 H new