USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 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 39 CYS SG : rot -69:sc= -22.4! USER MOD Set 1.2: A 49 CYS SG : rot 146:sc= -21.4! USER MOD Set 2.1: A 36 CYS SG : rot -93:sc= -24.3! USER MOD Set 2.2: A 62 CYS SG : rot -8:sc= -23.5! USER MOD Single : A 13 SER OG : rot 180:sc= -0.234 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= -0.158 (180deg=-0.862) 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=-0.093) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 27 SER OG : rot -100:sc= -0.78 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= -0.401 X(o=-0.4,f=-0.1) 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= 0.0102 X(o=0.01,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.104 (180deg=-0.908) USER MOD Single : A 57 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0.909 (180deg=0.906) USER MOD Single : A 65 ASN : amide:sc= -0.756 K(o=-0.76,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 -3.912 -1.392 -25.952 1.00 20.52 N ATOM 171 CA ARG A 12 -3.689 -2.282 -27.086 1.00 12.54 C ATOM 172 C ARG A 12 -3.839 -1.529 -28.404 1.00 54.14 C ATOM 173 O ARG A 12 -4.795 -1.746 -29.149 1.00 14.31 O ATOM 174 CB ARG A 12 -4.670 -3.455 -27.041 1.00 43.02 C ATOM 175 CG ARG A 12 -6.121 -3.030 -26.888 1.00 71.41 C ATOM 176 CD ARG A 12 -7.043 -3.875 -27.754 1.00 42.32 C ATOM 177 NE ARG A 12 -8.425 -3.835 -27.283 1.00 64.12 N ATOM 178 CZ ARG A 12 -9.366 -4.677 -27.695 1.00 61.02 C ATOM 179 NH1 ARG A 12 -9.075 -5.619 -28.581 1.00 73.45 N ATOM 180 NH2 ARG A 12 -10.601 -4.578 -27.220 1.00 42.42 N ATOM 0 HA ARG A 12 -2.671 -2.666 -27.021 1.00 12.54 H new ATOM 0 HB2 ARG A 12 -4.566 -4.040 -27.955 1.00 43.02 H new ATOM 0 HB3 ARG A 12 -4.403 -4.110 -26.212 1.00 43.02 H new ATOM 0 HG2 ARG A 12 -6.419 -3.118 -25.843 1.00 71.41 H new ATOM 0 HG3 ARG A 12 -6.225 -1.980 -27.161 1.00 71.41 H new ATOM 0 HD2 ARG A 12 -7.000 -3.519 -28.783 1.00 42.32 H new ATOM 0 HD3 ARG A 12 -6.691 -4.907 -27.759 1.00 42.32 H new ATOM 0 HE ARG A 12 -8.681 -3.122 -26.601 1.00 64.12 H new ATOM 0 HH11 ARG A 12 -8.127 -5.699 -28.948 1.00 73.45 H new ATOM 0 HH12 ARG A 12 -9.799 -6.264 -28.896 1.00 73.45 H new ATOM 0 HH21 ARG A 12 -10.829 -3.855 -26.538 1.00 42.42 H new ATOM 0 HH22 ARG A 12 -11.323 -5.225 -27.537 1.00 42.42 H new ATOM 194 N SER A 13 -2.889 -0.643 -28.686 1.00 61.51 N ATOM 195 CA SER A 13 -2.918 0.145 -29.913 1.00 23.43 C ATOM 196 C SER A 13 -1.637 -0.055 -30.717 1.00 24.21 C ATOM 197 O SER A 13 -0.737 -0.784 -30.300 1.00 65.34 O ATOM 198 CB SER A 13 -3.102 1.628 -29.587 1.00 35.13 C ATOM 199 OG SER A 13 -3.119 1.844 -28.186 1.00 53.02 O ATOM 0 H SER A 13 -2.090 -0.453 -28.082 1.00 61.51 H new ATOM 0 HA SER A 13 -3.761 -0.195 -30.514 1.00 23.43 H new ATOM 0 HB2 SER A 13 -2.295 2.205 -30.037 1.00 35.13 H new ATOM 0 HB3 SER A 13 -4.033 1.987 -30.025 1.00 35.13 H new ATOM 0 HG SER A 13 -3.236 2.800 -28.004 1.00 53.02 H new ATOM 205 N SER A 14 -1.563 0.598 -31.872 1.00 44.20 N ATOM 206 CA SER A 14 -0.394 0.490 -32.738 1.00 12.32 C ATOM 207 C SER A 14 0.227 1.862 -32.985 1.00 62.51 C ATOM 208 O SER A 14 0.774 2.125 -34.056 1.00 63.43 O ATOM 209 CB SER A 14 -0.778 -0.156 -34.070 1.00 55.12 C ATOM 210 OG SER A 14 -2.095 -0.677 -34.023 1.00 73.32 O ATOM 0 H SER A 14 -2.298 1.207 -32.230 1.00 44.20 H new ATOM 0 HA SER A 14 0.342 -0.138 -32.237 1.00 12.32 H new ATOM 0 HB2 SER A 14 -0.703 0.581 -34.870 1.00 55.12 H new ATOM 0 HB3 SER A 14 -0.076 -0.955 -34.306 1.00 55.12 H new ATOM 0 HG SER A 14 -2.317 -1.083 -34.887 1.00 73.32 H new ATOM 216 N LYS A 15 0.139 2.733 -31.986 1.00 53.01 N ATOM 217 CA LYS A 15 0.692 4.078 -32.092 1.00 23.32 C ATOM 218 C LYS A 15 2.216 4.036 -32.146 1.00 41.11 C ATOM 219 O LYS A 15 2.847 3.205 -31.492 1.00 61.14 O ATOM 220 CB LYS A 15 0.237 4.934 -30.908 1.00 32.43 C ATOM 221 CG LYS A 15 0.978 4.630 -29.617 1.00 43.32 C ATOM 222 CD LYS A 15 0.425 3.391 -28.934 1.00 63.55 C ATOM 223 CE LYS A 15 1.373 2.209 -29.072 1.00 71.25 C ATOM 224 NZ LYS A 15 2.707 2.495 -28.477 1.00 44.52 N ATOM 0 H LYS A 15 -0.310 2.531 -31.093 1.00 53.01 H new ATOM 0 HA LYS A 15 0.324 4.523 -33.017 1.00 23.32 H new ATOM 0 HB2 LYS A 15 0.375 5.986 -31.157 1.00 32.43 H new ATOM 0 HB3 LYS A 15 -0.830 4.781 -30.749 1.00 32.43 H new ATOM 0 HG2 LYS A 15 2.037 4.487 -29.830 1.00 43.32 H new ATOM 0 HG3 LYS A 15 0.901 5.483 -28.943 1.00 43.32 H new ATOM 0 HD2 LYS A 15 0.255 3.601 -27.878 1.00 63.55 H new ATOM 0 HD3 LYS A 15 -0.542 3.136 -29.368 1.00 63.55 H new ATOM 0 HE2 LYS A 15 0.938 1.336 -28.585 1.00 71.25 H new ATOM 0 HE3 LYS A 15 1.492 1.960 -30.127 1.00 71.25 H new ATOM 0 HZ1 LYS A 15 3.105 1.620 -28.081 1.00 44.52 H new ATOM 0 HZ2 LYS A 15 3.343 2.863 -29.212 1.00 44.52 H new ATOM 0 HZ3 LYS A 15 2.606 3.202 -27.721 1.00 44.52 H new ATOM 238 N ILE A 16 2.801 4.938 -32.928 1.00 34.24 N ATOM 239 CA ILE A 16 4.250 5.005 -33.064 1.00 62.32 C ATOM 240 C ILE A 16 4.674 6.265 -33.811 1.00 64.31 C ATOM 241 O ILE A 16 3.838 6.991 -34.348 1.00 12.53 O ATOM 242 CB ILE A 16 4.803 3.772 -33.804 1.00 5.32 C ATOM 243 CG1 ILE A 16 3.718 3.148 -34.682 1.00 73.44 C ATOM 244 CG2 ILE A 16 5.338 2.753 -32.809 1.00 5.44 C ATOM 245 CD1 ILE A 16 4.249 2.132 -35.669 1.00 62.04 C ATOM 0 H ILE A 16 2.293 5.632 -33.477 1.00 34.24 H new ATOM 0 HA ILE A 16 4.662 5.028 -32.055 1.00 62.32 H new ATOM 0 HB ILE A 16 5.625 4.090 -34.446 1.00 5.32 H new ATOM 0 HG12 ILE A 16 2.976 2.669 -34.043 1.00 73.44 H new ATOM 0 HG13 ILE A 16 3.205 3.939 -35.228 1.00 73.44 H new ATOM 0 HG21 ILE A 16 5.725 1.888 -33.347 1.00 5.44 H new ATOM 0 HG22 ILE A 16 6.138 3.203 -32.222 1.00 5.44 H new ATOM 0 HG23 ILE A 16 4.534 2.437 -32.144 1.00 5.44 H new ATOM 0 HD11 ILE A 16 3.424 1.731 -36.258 1.00 62.04 H new ATOM 0 HD12 ILE A 16 4.969 2.611 -36.332 1.00 62.04 H new ATOM 0 HD13 ILE A 16 4.737 1.321 -35.129 1.00 62.04 H new ATOM 257 N ILE A 17 5.979 6.516 -33.843 1.00 13.02 N ATOM 258 CA ILE A 17 6.514 7.687 -34.527 1.00 22.43 C ATOM 259 C ILE A 17 7.344 7.282 -35.740 1.00 41.44 C ATOM 260 O ILE A 17 7.729 6.121 -35.885 1.00 12.15 O ATOM 261 CB ILE A 17 7.384 8.540 -33.585 1.00 24.21 C ATOM 262 CG1 ILE A 17 8.558 7.715 -33.052 1.00 34.20 C ATOM 263 CG2 ILE A 17 6.547 9.083 -32.437 1.00 32.22 C ATOM 264 CD1 ILE A 17 8.242 6.973 -31.772 1.00 24.01 C ATOM 0 H ILE A 17 6.684 5.925 -33.404 1.00 13.02 H new ATOM 0 HA ILE A 17 5.660 8.280 -34.855 1.00 22.43 H new ATOM 0 HB ILE A 17 7.783 9.384 -34.148 1.00 24.21 H new ATOM 0 HG12 ILE A 17 8.862 6.997 -33.813 1.00 34.20 H new ATOM 0 HG13 ILE A 17 9.407 8.376 -32.879 1.00 34.20 H new ATOM 0 HG21 ILE A 17 7.176 9.684 -31.780 1.00 32.22 H new ATOM 0 HG22 ILE A 17 5.742 9.702 -32.834 1.00 32.22 H new ATOM 0 HG23 ILE A 17 6.122 8.253 -31.873 1.00 32.22 H new ATOM 0 HD11 ILE A 17 9.119 6.410 -31.452 1.00 24.01 H new ATOM 0 HD12 ILE A 17 7.966 7.687 -30.996 1.00 24.01 H new ATOM 0 HD13 ILE A 17 7.413 6.287 -31.944 1.00 24.01 H new ATOM 276 N LEU A 18 7.618 8.248 -36.611 1.00 24.14 N ATOM 277 CA LEU A 18 8.405 7.994 -37.812 1.00 63.14 C ATOM 278 C LEU A 18 9.389 9.131 -38.070 1.00 55.21 C ATOM 279 O LEU A 18 9.009 10.237 -38.455 1.00 1.41 O ATOM 280 CB LEU A 18 7.484 7.817 -39.021 1.00 3.11 C ATOM 281 CG LEU A 18 8.177 7.631 -40.371 1.00 60.22 C ATOM 282 CD1 LEU A 18 8.490 8.979 -41.001 1.00 50.12 C ATOM 283 CD2 LEU A 18 9.447 6.808 -40.210 1.00 72.31 C ATOM 0 H LEU A 18 7.307 9.214 -36.507 1.00 24.14 H new ATOM 0 HA LEU A 18 8.972 7.076 -37.657 1.00 63.14 H new ATOM 0 HB2 LEU A 18 6.844 6.953 -38.842 1.00 3.11 H new ATOM 0 HB3 LEU A 18 6.832 8.688 -39.087 1.00 3.11 H new ATOM 0 HG LEU A 18 7.500 7.092 -41.034 1.00 60.22 H new ATOM 0 HD11 LEU A 18 8.983 8.826 -41.961 1.00 50.12 H new ATOM 0 HD12 LEU A 18 7.564 9.533 -41.153 1.00 50.12 H new ATOM 0 HD13 LEU A 18 9.148 9.545 -40.341 1.00 50.12 H new ATOM 0 HD21 LEU A 18 9.927 6.686 -41.181 1.00 72.31 H new ATOM 0 HD22 LEU A 18 10.128 7.320 -39.530 1.00 72.31 H new ATOM 0 HD23 LEU A 18 9.197 5.828 -39.803 1.00 72.31 H new ATOM 295 N PRO A 19 10.683 8.854 -37.856 1.00 3.44 N ATOM 296 CA PRO A 19 11.748 9.841 -38.061 1.00 62.30 C ATOM 297 C PRO A 19 11.961 10.166 -39.536 1.00 32.44 C ATOM 298 O PRO A 19 11.790 9.307 -40.401 1.00 12.42 O ATOM 299 CB PRO A 19 12.986 9.152 -37.481 1.00 62.13 C ATOM 300 CG PRO A 19 12.693 7.695 -37.586 1.00 11.04 C ATOM 301 CD PRO A 19 11.207 7.557 -37.397 1.00 5.14 C ATOM 0 HA PRO A 19 11.515 10.796 -37.590 1.00 62.30 H new ATOM 0 HB2 PRO A 19 13.884 9.416 -38.039 1.00 62.13 H new ATOM 0 HB3 PRO A 19 13.155 9.448 -36.446 1.00 62.13 H new ATOM 0 HG2 PRO A 19 13.001 7.304 -38.556 1.00 11.04 H new ATOM 0 HG3 PRO A 19 13.237 7.132 -36.828 1.00 11.04 H new ATOM 0 HD2 PRO A 19 10.803 6.731 -37.982 1.00 5.14 H new ATOM 0 HD3 PRO A 19 10.950 7.366 -36.355 1.00 5.14 H new ATOM 309 N ALA A 20 12.335 11.410 -39.815 1.00 20.14 N ATOM 310 CA ALA A 20 12.573 11.847 -41.185 1.00 24.04 C ATOM 311 C ALA A 20 13.021 13.304 -41.226 1.00 12.20 C ATOM 312 O ALA A 20 14.199 13.597 -41.434 1.00 14.12 O ATOM 313 CB ALA A 20 11.321 11.653 -42.026 1.00 14.41 C ATOM 0 H ALA A 20 12.480 12.133 -39.110 1.00 20.14 H new ATOM 0 HA ALA A 20 13.374 11.236 -41.601 1.00 24.04 H new ATOM 0 HB1 ALA A 20 11.513 11.984 -43.047 1.00 14.41 H new ATOM 0 HB2 ALA A 20 11.047 10.598 -42.032 1.00 14.41 H new ATOM 0 HB3 ALA A 20 10.504 12.238 -41.603 1.00 14.41 H new ATOM 319 N CYS A 21 12.074 14.215 -41.028 1.00 33.14 N ATOM 320 CA CYS A 21 12.369 15.642 -41.043 1.00 43.33 C ATOM 321 C CYS A 21 12.132 16.262 -39.669 1.00 52.23 C ATOM 322 O CYS A 21 12.813 17.210 -39.279 1.00 14.03 O ATOM 323 CB CYS A 21 11.508 16.351 -42.091 1.00 2.35 C ATOM 324 SG CYS A 21 11.518 18.168 -41.955 1.00 31.11 S ATOM 0 H CYS A 21 11.094 13.989 -40.855 1.00 33.14 H new ATOM 0 HA CYS A 21 13.421 15.767 -41.301 1.00 43.33 H new ATOM 0 HB2 CYS A 21 11.858 16.070 -43.084 1.00 2.35 H new ATOM 0 HB3 CYS A 21 10.481 15.996 -42.003 1.00 2.35 H new ATOM 329 N MET A 22 11.161 15.719 -38.941 1.00 44.52 N ATOM 330 CA MET A 22 10.835 16.218 -37.610 1.00 41.12 C ATOM 331 C MET A 22 10.201 15.122 -36.759 1.00 41.25 C ATOM 332 O MET A 22 10.225 13.947 -37.125 1.00 61.51 O ATOM 333 CB MET A 22 9.888 17.415 -37.709 1.00 11.50 C ATOM 334 CG MET A 22 10.330 18.610 -36.880 1.00 3.31 C ATOM 335 SD MET A 22 8.941 19.581 -36.265 1.00 1.35 S ATOM 336 CE MET A 22 9.381 19.743 -34.536 1.00 14.03 C ATOM 0 H MET A 22 10.587 14.934 -39.250 1.00 44.52 H new ATOM 0 HA MET A 22 11.761 16.535 -37.131 1.00 41.12 H new ATOM 0 HB2 MET A 22 9.806 17.718 -38.753 1.00 11.50 H new ATOM 0 HB3 MET A 22 8.893 17.108 -37.387 1.00 11.50 H new ATOM 0 HG2 MET A 22 10.926 18.262 -36.037 1.00 3.31 H new ATOM 0 HG3 MET A 22 10.975 19.248 -37.484 1.00 3.31 H new ATOM 0 HE1 MET A 22 8.616 20.322 -34.018 1.00 14.03 H new ATOM 0 HE2 MET A 22 9.455 18.753 -34.085 1.00 14.03 H new ATOM 0 HE3 MET A 22 10.341 20.253 -34.451 1.00 14.03 H new ATOM 346 N HIS A 23 9.635 15.515 -35.623 1.00 35.32 N ATOM 347 CA HIS A 23 8.994 14.565 -34.720 1.00 73.11 C ATOM 348 C HIS A 23 7.518 14.396 -35.068 1.00 71.30 C ATOM 349 O HIS A 23 6.708 15.291 -34.830 1.00 4.25 O ATOM 350 CB HIS A 23 9.138 15.030 -33.271 1.00 20.43 C ATOM 351 CG HIS A 23 10.480 14.730 -32.676 1.00 73.13 C ATOM 352 ND1 HIS A 23 10.982 13.451 -32.558 1.00 13.11 N ATOM 353 CD2 HIS A 23 11.426 15.553 -32.167 1.00 21.31 C ATOM 354 CE1 HIS A 23 12.178 13.500 -32.000 1.00 1.03 C ATOM 355 NE2 HIS A 23 12.471 14.764 -31.753 1.00 44.01 N ATOM 0 H HIS A 23 9.607 16.484 -35.305 1.00 35.32 H new ATOM 0 HA HIS A 23 9.489 13.601 -34.835 1.00 73.11 H new ATOM 0 HB2 HIS A 23 8.961 16.104 -33.224 1.00 20.43 H new ATOM 0 HB3 HIS A 23 8.367 14.553 -32.667 1.00 20.43 H new ATOM 0 HD2 HIS A 23 11.370 16.629 -32.099 1.00 21.31 H new ATOM 0 HE1 HIS A 23 12.809 12.651 -31.783 1.00 1.03 H new ATOM 0 HE2 HIS A 23 13.334 15.100 -31.324 1.00 44.01 H new ATOM 363 N GLU A 24 7.177 13.242 -35.633 1.00 55.05 N ATOM 364 CA GLU A 24 5.798 12.958 -36.015 1.00 63.53 C ATOM 365 C GLU A 24 5.298 11.684 -35.340 1.00 24.23 C ATOM 366 O GLU A 24 6.085 10.897 -34.811 1.00 50.04 O ATOM 367 CB GLU A 24 5.685 12.820 -37.535 1.00 14.20 C ATOM 368 CG GLU A 24 6.693 11.855 -38.136 1.00 13.20 C ATOM 369 CD GLU A 24 6.771 11.960 -39.647 1.00 23.43 C ATOM 370 OE1 GLU A 24 5.790 11.579 -40.319 1.00 12.11 O ATOM 371 OE2 GLU A 24 7.813 12.421 -40.157 1.00 3.23 O ATOM 0 H GLU A 24 7.835 12.490 -35.836 1.00 55.05 H new ATOM 0 HA GLU A 24 5.178 13.791 -35.685 1.00 63.53 H new ATOM 0 HB2 GLU A 24 4.679 12.485 -37.787 1.00 14.20 H new ATOM 0 HB3 GLU A 24 5.817 13.801 -37.991 1.00 14.20 H new ATOM 0 HG2 GLU A 24 7.677 12.052 -37.710 1.00 13.20 H new ATOM 0 HG3 GLU A 24 6.424 10.836 -37.860 1.00 13.20 H new ATOM 378 N THR A 25 3.984 11.487 -35.360 1.00 33.12 N ATOM 379 CA THR A 25 3.378 10.311 -34.749 1.00 35.14 C ATOM 380 C THR A 25 2.118 9.890 -35.496 1.00 55.34 C ATOM 381 O THR A 25 1.552 10.667 -36.267 1.00 21.21 O ATOM 382 CB THR A 25 3.023 10.565 -33.271 1.00 43.33 C ATOM 383 OG1 THR A 25 4.044 11.355 -32.652 1.00 24.05 O ATOM 384 CG2 THR A 25 2.864 9.253 -32.519 1.00 71.53 C ATOM 0 H THR A 25 3.319 12.127 -35.793 1.00 33.12 H new ATOM 0 HA THR A 25 4.116 9.511 -34.806 1.00 35.14 H new ATOM 0 HB THR A 25 2.075 11.102 -33.235 1.00 43.33 H new ATOM 0 HG1 THR A 25 3.811 11.514 -31.713 1.00 24.05 H new ATOM 0 HG21 THR A 25 2.614 9.458 -31.478 1.00 71.53 H new ATOM 0 HG22 THR A 25 2.067 8.666 -32.975 1.00 71.53 H new ATOM 0 HG23 THR A 25 3.798 8.692 -32.564 1.00 71.53 H new ATOM 392 N CYS A 26 1.681 8.657 -35.264 1.00 63.12 N ATOM 393 CA CYS A 26 0.487 8.132 -35.916 1.00 2.25 C ATOM 394 C CYS A 26 -0.145 7.022 -35.080 1.00 43.35 C ATOM 395 O CYS A 26 0.555 6.247 -34.428 1.00 54.22 O ATOM 396 CB CYS A 26 0.832 7.604 -37.309 1.00 73.34 C ATOM 397 SG CYS A 26 -0.549 7.679 -38.495 1.00 50.24 S ATOM 0 H CYS A 26 2.136 8.002 -34.629 1.00 63.12 H new ATOM 0 HA CYS A 26 -0.233 8.945 -36.012 1.00 2.25 H new ATOM 0 HB2 CYS A 26 1.670 8.177 -37.706 1.00 73.34 H new ATOM 0 HB3 CYS A 26 1.166 6.570 -37.222 1.00 73.34 H new ATOM 402 N SER A 27 -1.472 6.952 -35.106 1.00 41.44 N ATOM 403 CA SER A 27 -2.199 5.940 -34.349 1.00 41.14 C ATOM 404 C SER A 27 -3.658 5.875 -34.791 1.00 62.03 C ATOM 405 O SER A 27 -4.361 6.884 -34.800 1.00 51.33 O ATOM 406 CB SER A 27 -2.121 6.239 -32.851 1.00 40.51 C ATOM 407 OG SER A 27 -2.631 5.160 -32.088 1.00 72.21 O ATOM 0 H SER A 27 -2.066 7.584 -35.643 1.00 41.44 H new ATOM 0 HA SER A 27 -1.735 4.973 -34.544 1.00 41.14 H new ATOM 0 HB2 SER A 27 -1.086 6.431 -32.569 1.00 40.51 H new ATOM 0 HB3 SER A 27 -2.685 7.145 -32.628 1.00 40.51 H new ATOM 0 HG SER A 27 -3.547 5.363 -31.806 1.00 72.21 H new ATOM 413 N GLY A 28 -4.106 4.678 -35.158 1.00 22.11 N ATOM 414 CA GLY A 28 -5.478 4.502 -35.596 1.00 61.33 C ATOM 415 C GLY A 28 -6.076 3.194 -35.117 1.00 15.32 C ATOM 416 O GLY A 28 -6.610 2.420 -35.910 1.00 31.11 O ATOM 0 H GLY A 28 -3.543 3.827 -35.160 1.00 22.11 H new ATOM 0 HA2 GLY A 28 -6.083 5.331 -35.228 1.00 61.33 H new ATOM 0 HA3 GLY A 28 -5.516 4.538 -36.685 1.00 61.33 H new ATOM 420 N GLY A 29 -5.986 2.946 -33.813 1.00 54.55 N ATOM 421 CA GLY A 29 -6.526 1.722 -33.252 1.00 60.22 C ATOM 422 C GLY A 29 -7.270 1.958 -31.953 1.00 2.13 C ATOM 423 O GLY A 29 -8.457 1.650 -31.844 1.00 2.15 O ATOM 0 H GLY A 29 -5.549 3.571 -33.136 1.00 54.55 H new ATOM 0 HA2 GLY A 29 -7.200 1.261 -33.974 1.00 60.22 H new ATOM 0 HA3 GLY A 29 -5.714 1.016 -33.079 1.00 60.22 H new ATOM 427 N PHE A 30 -6.571 2.505 -30.964 1.00 23.13 N ATOM 428 CA PHE A 30 -7.172 2.780 -29.664 1.00 24.33 C ATOM 429 C PHE A 30 -7.000 4.248 -29.285 1.00 24.35 C ATOM 430 O PHE A 30 -7.889 4.854 -28.688 1.00 54.21 O ATOM 431 CB PHE A 30 -6.546 1.887 -28.590 1.00 2.31 C ATOM 432 CG PHE A 30 -7.032 2.189 -27.201 1.00 53.13 C ATOM 433 CD1 PHE A 30 -8.362 1.999 -26.862 1.00 73.34 C ATOM 434 CD2 PHE A 30 -6.160 2.663 -26.235 1.00 22.41 C ATOM 435 CE1 PHE A 30 -8.813 2.276 -25.586 1.00 4.44 C ATOM 436 CE2 PHE A 30 -6.604 2.942 -24.956 1.00 73.32 C ATOM 437 CZ PHE A 30 -7.932 2.747 -24.631 1.00 14.30 C ATOM 0 H PHE A 30 -5.588 2.767 -31.038 1.00 23.13 H new ATOM 0 HA PHE A 30 -8.238 2.563 -29.731 1.00 24.33 H new ATOM 0 HB2 PHE A 30 -6.763 0.845 -28.824 1.00 2.31 H new ATOM 0 HB3 PHE A 30 -5.462 2.001 -28.620 1.00 2.31 H new ATOM 0 HD1 PHE A 30 -9.054 1.630 -27.604 1.00 73.34 H new ATOM 0 HD2 PHE A 30 -5.120 2.817 -26.484 1.00 22.41 H new ATOM 0 HE1 PHE A 30 -9.852 2.125 -25.335 1.00 4.44 H new ATOM 0 HE2 PHE A 30 -5.914 3.312 -24.212 1.00 73.32 H new ATOM 0 HZ PHE A 30 -8.282 2.962 -23.632 1.00 14.30 H new ATOM 447 N SER A 31 -5.848 4.812 -29.635 1.00 14.23 N ATOM 448 CA SER A 31 -5.557 6.208 -29.328 1.00 23.43 C ATOM 449 C SER A 31 -6.168 7.133 -30.375 1.00 44.52 C ATOM 450 O SER A 31 -6.724 8.182 -30.046 1.00 21.15 O ATOM 451 CB SER A 31 -4.045 6.430 -29.253 1.00 41.24 C ATOM 452 OG SER A 31 -3.698 7.203 -28.117 1.00 74.31 O ATOM 0 H SER A 31 -5.102 4.324 -30.131 1.00 14.23 H new ATOM 0 HA SER A 31 -6.000 6.442 -28.360 1.00 23.43 H new ATOM 0 HB2 SER A 31 -3.535 5.468 -29.211 1.00 41.24 H new ATOM 0 HB3 SER A 31 -3.703 6.933 -30.157 1.00 41.24 H new ATOM 0 HG SER A 31 -2.726 7.329 -28.091 1.00 74.31 H new ATOM 458 N LEU A 32 -6.060 6.739 -31.639 1.00 71.30 N ATOM 459 CA LEU A 32 -6.602 7.532 -32.737 1.00 44.01 C ATOM 460 C LEU A 32 -6.033 8.947 -32.718 1.00 53.42 C ATOM 461 O LEU A 32 -6.743 9.910 -32.426 1.00 35.44 O ATOM 462 CB LEU A 32 -8.128 7.582 -32.652 1.00 31.11 C ATOM 463 CG LEU A 32 -8.834 8.400 -33.734 1.00 13.04 C ATOM 464 CD1 LEU A 32 -9.670 7.496 -34.626 1.00 35.01 C ATOM 465 CD2 LEU A 32 -9.701 9.481 -33.104 1.00 71.22 C ATOM 0 H LEU A 32 -5.602 5.875 -31.929 1.00 71.30 H new ATOM 0 HA LEU A 32 -6.313 7.056 -33.674 1.00 44.01 H new ATOM 0 HB2 LEU A 32 -8.508 6.561 -32.691 1.00 31.11 H new ATOM 0 HB3 LEU A 32 -8.405 7.988 -31.679 1.00 31.11 H new ATOM 0 HG LEU A 32 -8.076 8.883 -34.350 1.00 13.04 H new ATOM 0 HD11 LEU A 32 -10.165 8.096 -35.390 1.00 35.01 H new ATOM 0 HD12 LEU A 32 -9.025 6.759 -35.105 1.00 35.01 H new ATOM 0 HD13 LEU A 32 -10.421 6.984 -34.024 1.00 35.01 H new ATOM 0 HD21 LEU A 32 -10.196 10.054 -33.888 1.00 71.22 H new ATOM 0 HD22 LEU A 32 -10.452 9.018 -32.464 1.00 71.22 H new ATOM 0 HD23 LEU A 32 -9.077 10.147 -32.508 1.00 71.22 H new ATOM 477 N LYS A 33 -4.748 9.068 -33.034 1.00 74.33 N ATOM 478 CA LYS A 33 -4.084 10.365 -33.058 1.00 1.44 C ATOM 479 C LYS A 33 -2.934 10.370 -34.060 1.00 21.14 C ATOM 480 O LYS A 33 -2.647 9.356 -34.694 1.00 32.41 O ATOM 481 CB LYS A 33 -3.561 10.719 -31.663 1.00 60.34 C ATOM 482 CG LYS A 33 -4.619 10.632 -30.577 1.00 40.50 C ATOM 483 CD LYS A 33 -4.047 10.978 -29.213 1.00 3.54 C ATOM 484 CE LYS A 33 -4.156 12.468 -28.924 1.00 30.23 C ATOM 485 NZ LYS A 33 -3.904 12.774 -27.488 1.00 54.33 N ATOM 0 H LYS A 33 -4.145 8.282 -33.277 1.00 74.33 H new ATOM 0 HA LYS A 33 -4.814 11.113 -33.367 1.00 1.44 H new ATOM 0 HB2 LYS A 33 -2.738 10.049 -31.412 1.00 60.34 H new ATOM 0 HB3 LYS A 33 -3.154 11.730 -31.682 1.00 60.34 H new ATOM 0 HG2 LYS A 33 -5.439 11.311 -30.811 1.00 40.50 H new ATOM 0 HG3 LYS A 33 -5.035 9.625 -30.553 1.00 40.50 H new ATOM 0 HD2 LYS A 33 -4.576 10.417 -28.443 1.00 3.54 H new ATOM 0 HD3 LYS A 33 -3.001 10.673 -29.168 1.00 3.54 H new ATOM 0 HE2 LYS A 33 -3.441 13.011 -29.542 1.00 30.23 H new ATOM 0 HE3 LYS A 33 -5.149 12.820 -29.202 1.00 30.23 H new ATOM 0 HZ1 LYS A 33 -3.987 13.799 -27.332 1.00 54.33 H new ATOM 0 HZ2 LYS A 33 -4.602 12.276 -26.899 1.00 54.33 H new ATOM 0 HZ3 LYS A 33 -2.947 12.461 -27.229 1.00 54.33 H new ATOM 499 N ASN A 34 -2.278 11.518 -34.196 1.00 21.24 N ATOM 500 CA ASN A 34 -1.158 11.653 -35.120 1.00 52.41 C ATOM 501 C ASN A 34 -0.464 13.000 -34.940 1.00 55.35 C ATOM 502 O ASN A 34 -1.111 14.011 -34.665 1.00 41.31 O ATOM 503 CB ASN A 34 -1.641 11.504 -36.564 1.00 51.42 C ATOM 504 CG ASN A 34 -3.020 12.098 -36.777 1.00 12.32 C ATOM 505 OD1 ASN A 34 -3.169 13.310 -36.934 1.00 42.21 O ATOM 506 ND2 ASN A 34 -4.037 11.245 -36.782 1.00 75.30 N ATOM 0 H ASN A 34 -2.503 12.368 -33.678 1.00 21.24 H new ATOM 0 HA ASN A 34 -0.440 10.862 -34.901 1.00 52.41 H new ATOM 0 HB2 ASN A 34 -0.932 11.990 -37.233 1.00 51.42 H new ATOM 0 HB3 ASN A 34 -1.658 10.447 -36.831 1.00 51.42 H new ATOM 0 HD21 ASN A 34 -4.988 11.586 -36.920 1.00 75.30 H new ATOM 0 HD22 ASN A 34 -3.867 10.248 -36.648 1.00 75.30 H new ATOM 513 N ASP A 35 0.854 13.006 -35.099 1.00 24.11 N ATOM 514 CA ASP A 35 1.636 14.229 -34.956 1.00 65.51 C ATOM 515 C ASP A 35 2.211 14.666 -36.300 1.00 23.12 C ATOM 516 O ASP A 35 2.970 13.930 -36.932 1.00 34.11 O ATOM 517 CB ASP A 35 2.767 14.021 -33.947 1.00 11.31 C ATOM 518 CG ASP A 35 3.066 15.274 -33.147 1.00 42.14 C ATOM 519 OD1 ASP A 35 3.194 16.353 -33.762 1.00 42.33 O ATOM 520 OD2 ASP A 35 3.173 15.175 -31.907 1.00 3.41 O ATOM 0 H ASP A 35 1.404 12.178 -35.327 1.00 24.11 H new ATOM 0 HA ASP A 35 0.974 15.014 -34.591 1.00 65.51 H new ATOM 0 HB2 ASP A 35 2.498 13.214 -33.266 1.00 11.31 H new ATOM 0 HB3 ASP A 35 3.668 13.707 -34.475 1.00 11.31 H new ATOM 525 N CYS A 36 1.845 15.868 -36.731 1.00 73.03 N ATOM 526 CA CYS A 36 2.322 16.404 -38.000 1.00 72.23 C ATOM 527 C CYS A 36 3.847 16.426 -38.042 1.00 61.14 C ATOM 528 O CYS A 36 4.510 15.989 -37.102 1.00 64.20 O ATOM 529 CB CYS A 36 1.774 17.815 -38.220 1.00 41.41 C ATOM 530 SG CYS A 36 0.044 17.862 -38.788 1.00 32.50 S ATOM 0 H CYS A 36 1.219 16.490 -36.220 1.00 73.03 H new ATOM 0 HA CYS A 36 1.963 15.754 -38.798 1.00 72.23 H new ATOM 0 HB2 CYS A 36 1.854 18.374 -37.287 1.00 41.41 H new ATOM 0 HB3 CYS A 36 2.399 18.326 -38.952 1.00 41.41 H new ATOM 0 HG CYS A 36 0.015 17.915 -40.087 1.00 32.50 H new ATOM 535 N TRP A 37 4.395 16.938 -39.138 1.00 64.23 N ATOM 536 CA TRP A 37 5.842 17.017 -39.303 1.00 45.20 C ATOM 537 C TRP A 37 6.302 18.469 -39.384 1.00 22.30 C ATOM 538 O TRP A 37 5.505 19.393 -39.220 1.00 22.14 O ATOM 539 CB TRP A 37 6.276 16.261 -40.560 1.00 55.22 C ATOM 540 CG TRP A 37 5.346 16.455 -41.720 1.00 33.14 C ATOM 541 CD1 TRP A 37 4.133 15.855 -41.907 1.00 64.31 C ATOM 542 CD2 TRP A 37 5.554 17.305 -42.852 1.00 40.53 C ATOM 543 NE1 TRP A 37 3.575 16.281 -43.088 1.00 65.03 N ATOM 544 CE2 TRP A 37 4.427 17.172 -43.686 1.00 72.15 C ATOM 545 CE3 TRP A 37 6.582 18.168 -43.242 1.00 53.42 C ATOM 546 CZ2 TRP A 37 4.302 17.868 -44.886 1.00 12.34 C ATOM 547 CZ3 TRP A 37 6.456 18.859 -44.433 1.00 23.43 C ATOM 548 CH2 TRP A 37 5.323 18.706 -45.243 1.00 1.13 C ATOM 0 H TRP A 37 3.860 17.304 -39.925 1.00 64.23 H new ATOM 0 HA TRP A 37 6.307 16.555 -38.432 1.00 45.20 H new ATOM 0 HB2 TRP A 37 7.275 16.589 -40.846 1.00 55.22 H new ATOM 0 HB3 TRP A 37 6.343 15.197 -40.331 1.00 55.22 H new ATOM 0 HD1 TRP A 37 3.679 15.150 -41.227 1.00 64.31 H new ATOM 0 HE1 TRP A 37 2.673 15.983 -43.459 1.00 65.03 H new ATOM 0 HE3 TRP A 37 7.459 18.293 -42.624 1.00 53.42 H new ATOM 0 HZ2 TRP A 37 3.430 17.750 -45.512 1.00 12.34 H new ATOM 0 HZ3 TRP A 37 7.244 19.528 -44.744 1.00 23.43 H new ATOM 0 HH2 TRP A 37 5.254 19.260 -46.167 1.00 1.13 H new ATOM 559 N CYS A 38 7.592 18.663 -39.638 1.00 51.04 N ATOM 560 CA CYS A 38 8.158 20.002 -39.741 1.00 42.51 C ATOM 561 C CYS A 38 7.385 20.844 -40.752 1.00 15.11 C ATOM 562 O CYS A 38 6.458 20.358 -41.401 1.00 51.33 O ATOM 563 CB CYS A 38 9.632 19.926 -40.146 1.00 14.31 C ATOM 564 SG CYS A 38 9.957 18.834 -41.567 1.00 32.32 S ATOM 0 H CYS A 38 8.265 17.909 -39.776 1.00 51.04 H new ATOM 0 HA CYS A 38 8.080 20.478 -38.763 1.00 42.51 H new ATOM 0 HB2 CYS A 38 9.984 20.930 -40.384 1.00 14.31 H new ATOM 0 HB3 CYS A 38 10.215 19.578 -39.293 1.00 14.31 H new ATOM 569 N CYS A 39 7.772 22.109 -40.880 1.00 33.20 N ATOM 570 CA CYS A 39 7.116 23.019 -41.811 1.00 11.33 C ATOM 571 C CYS A 39 8.093 23.501 -42.880 1.00 14.04 C ATOM 572 O CYS A 39 9.186 22.954 -43.030 1.00 32.44 O ATOM 573 CB CYS A 39 6.533 24.218 -41.059 1.00 63.12 C ATOM 574 SG CYS A 39 4.759 24.495 -41.363 1.00 53.12 S ATOM 0 H CYS A 39 8.537 22.527 -40.350 1.00 33.20 H new ATOM 0 HA CYS A 39 6.307 22.477 -42.301 1.00 11.33 H new ATOM 0 HB2 CYS A 39 6.689 24.074 -39.990 1.00 63.12 H new ATOM 0 HB3 CYS A 39 7.084 25.115 -41.344 1.00 63.12 H new ATOM 0 HG CYS A 39 4.586 24.895 -42.588 1.00 53.12 H new ATOM 579 N LEU A 40 7.691 24.528 -43.620 1.00 0.30 N ATOM 580 CA LEU A 40 8.530 25.085 -44.675 1.00 43.14 C ATOM 581 C LEU A 40 9.949 25.330 -44.171 1.00 71.51 C ATOM 582 O LEU A 40 10.924 24.975 -44.834 1.00 53.44 O ATOM 583 CB LEU A 40 7.929 26.392 -45.196 1.00 5.14 C ATOM 584 CG LEU A 40 8.005 26.611 -46.707 1.00 61.21 C ATOM 585 CD1 LEU A 40 6.927 27.583 -47.160 1.00 43.33 C ATOM 586 CD2 LEU A 40 9.384 27.117 -47.104 1.00 41.14 C ATOM 0 H LEU A 40 6.789 24.992 -43.509 1.00 0.30 H new ATOM 0 HA LEU A 40 8.573 24.362 -45.490 1.00 43.14 H new ATOM 0 HB2 LEU A 40 6.882 26.432 -44.896 1.00 5.14 H new ATOM 0 HB3 LEU A 40 8.434 27.223 -44.703 1.00 5.14 H new ATOM 0 HG LEU A 40 7.835 25.655 -47.203 1.00 61.21 H new ATOM 0 HD11 LEU A 40 6.996 27.727 -48.238 1.00 43.33 H new ATOM 0 HD12 LEU A 40 5.946 27.180 -46.910 1.00 43.33 H new ATOM 0 HD13 LEU A 40 7.065 28.540 -46.657 1.00 43.33 H new ATOM 0 HD21 LEU A 40 9.420 27.267 -48.183 1.00 41.14 H new ATOM 0 HD22 LEU A 40 9.584 28.062 -46.599 1.00 41.14 H new ATOM 0 HD23 LEU A 40 10.138 26.385 -46.815 1.00 41.14 H new ATOM 598 N ARG A 41 10.056 25.935 -42.993 1.00 5.01 N ATOM 599 CA ARG A 41 11.356 26.226 -42.399 1.00 71.41 C ATOM 600 C ARG A 41 11.194 26.888 -41.034 1.00 31.42 C ATOM 601 O ARG A 41 10.479 27.881 -40.894 1.00 41.15 O ATOM 602 CB ARG A 41 12.172 27.131 -43.323 1.00 53.34 C ATOM 603 CG ARG A 41 13.437 27.675 -42.681 1.00 44.32 C ATOM 604 CD ARG A 41 13.202 29.042 -42.057 1.00 63.01 C ATOM 605 NE ARG A 41 14.137 30.043 -42.564 1.00 53.31 N ATOM 606 CZ ARG A 41 14.144 31.310 -42.165 1.00 4.21 C ATOM 607 NH1 ARG A 41 13.272 31.728 -41.258 1.00 4.12 N ATOM 608 NH2 ARG A 41 15.026 32.162 -42.673 1.00 31.11 N ATOM 0 H ARG A 41 9.259 26.233 -42.431 1.00 5.01 H new ATOM 0 HA ARG A 41 11.886 25.283 -42.266 1.00 71.41 H new ATOM 0 HB2 ARG A 41 12.441 26.573 -44.220 1.00 53.34 H new ATOM 0 HB3 ARG A 41 11.549 27.966 -43.643 1.00 53.34 H new ATOM 0 HG2 ARG A 41 13.786 26.980 -41.917 1.00 44.32 H new ATOM 0 HG3 ARG A 41 14.225 27.747 -43.431 1.00 44.32 H new ATOM 0 HD2 ARG A 41 12.181 29.363 -42.262 1.00 63.01 H new ATOM 0 HD3 ARG A 41 13.302 28.968 -40.974 1.00 63.01 H new ATOM 0 HE ARG A 41 14.822 29.753 -43.262 1.00 53.31 H new ATOM 0 HH11 ARG A 41 12.593 31.076 -40.865 1.00 4.12 H new ATOM 0 HH12 ARG A 41 13.280 32.701 -40.954 1.00 4.12 H new ATOM 0 HH21 ARG A 41 15.699 31.844 -43.370 1.00 31.11 H new ATOM 0 HH22 ARG A 41 15.031 33.135 -42.366 1.00 31.11 H new ATOM 622 N LEU A 42 11.861 26.331 -40.029 1.00 63.23 N ATOM 623 CA LEU A 42 11.791 26.866 -38.674 1.00 45.42 C ATOM 624 C LEU A 42 13.117 26.676 -37.944 1.00 61.42 C ATOM 625 O LEU A 42 13.778 25.647 -38.092 1.00 55.10 O ATOM 626 CB LEU A 42 10.664 26.188 -37.894 1.00 23.11 C ATOM 627 CG LEU A 42 10.505 24.683 -38.116 1.00 41.43 C ATOM 628 CD1 LEU A 42 10.554 23.940 -36.791 1.00 32.24 C ATOM 629 CD2 LEU A 42 9.205 24.387 -38.849 1.00 15.23 C ATOM 0 H LEU A 42 12.457 25.509 -40.127 1.00 63.23 H new ATOM 0 HA LEU A 42 11.585 27.934 -38.742 1.00 45.42 H new ATOM 0 HB2 LEU A 42 10.829 26.363 -36.831 1.00 23.11 H new ATOM 0 HB3 LEU A 42 9.724 26.675 -38.155 1.00 23.11 H new ATOM 0 HG LEU A 42 11.334 24.336 -38.733 1.00 41.43 H new ATOM 0 HD11 LEU A 42 10.439 22.871 -36.969 1.00 32.24 H new ATOM 0 HD12 LEU A 42 11.512 24.126 -36.305 1.00 32.24 H new ATOM 0 HD13 LEU A 42 9.746 24.289 -36.148 1.00 32.24 H new ATOM 0 HD21 LEU A 42 9.108 23.312 -38.998 1.00 15.23 H new ATOM 0 HD22 LEU A 42 8.364 24.748 -38.258 1.00 15.23 H new ATOM 0 HD23 LEU A 42 9.211 24.889 -39.817 1.00 15.23 H new ATOM 641 N LYS A 43 13.500 27.673 -37.154 1.00 63.30 N ATOM 642 CA LYS A 43 14.745 27.615 -36.397 1.00 62.31 C ATOM 643 C LYS A 43 14.490 27.155 -34.965 1.00 65.33 C ATOM 644 O LYS A 43 15.336 26.504 -34.351 1.00 63.40 O ATOM 645 CB LYS A 43 15.426 28.985 -36.390 1.00 43.13 C ATOM 646 CG LYS A 43 14.797 29.972 -35.423 1.00 11.33 C ATOM 647 CD LYS A 43 15.019 31.408 -35.868 1.00 4.14 C ATOM 648 CE LYS A 43 15.629 32.248 -34.756 1.00 11.03 C ATOM 649 NZ LYS A 43 14.599 32.720 -33.789 1.00 22.22 N ATOM 0 H LYS A 43 12.966 28.532 -37.021 1.00 63.30 H new ATOM 0 HA LYS A 43 15.402 26.892 -36.881 1.00 62.31 H new ATOM 0 HB2 LYS A 43 16.478 28.857 -36.133 1.00 43.13 H new ATOM 0 HB3 LYS A 43 15.392 29.403 -37.396 1.00 43.13 H new ATOM 0 HG2 LYS A 43 13.728 29.775 -35.345 1.00 11.33 H new ATOM 0 HG3 LYS A 43 15.220 29.829 -34.429 1.00 11.33 H new ATOM 0 HD2 LYS A 43 15.675 31.423 -36.738 1.00 4.14 H new ATOM 0 HD3 LYS A 43 14.070 31.845 -36.177 1.00 4.14 H new ATOM 0 HE2 LYS A 43 16.381 31.661 -34.228 1.00 11.03 H new ATOM 0 HE3 LYS A 43 16.141 33.107 -35.189 1.00 11.03 H new ATOM 0 HZ1 LYS A 43 15.054 33.289 -33.047 1.00 22.22 H new ATOM 0 HZ2 LYS A 43 13.895 33.301 -34.288 1.00 22.22 H new ATOM 0 HZ3 LYS A 43 14.127 31.900 -33.357 1.00 22.22 H new ATOM 663 N THR A 44 13.319 27.496 -34.438 1.00 54.23 N ATOM 664 CA THR A 44 12.952 27.118 -33.079 1.00 45.12 C ATOM 665 C THR A 44 11.786 26.137 -33.077 1.00 21.32 C ATOM 666 O THR A 44 11.782 25.162 -32.325 1.00 5.04 O ATOM 667 CB THR A 44 12.574 28.350 -32.236 1.00 54.31 C ATOM 668 OG1 THR A 44 12.217 27.945 -30.910 1.00 14.42 O ATOM 669 CG2 THR A 44 11.415 29.105 -32.871 1.00 30.33 C ATOM 0 H THR A 44 12.607 28.034 -34.932 1.00 54.23 H new ATOM 0 HA THR A 44 13.826 26.639 -32.637 1.00 45.12 H new ATOM 0 HB THR A 44 13.438 29.013 -32.193 1.00 54.31 H new ATOM 0 HG1 THR A 44 11.979 28.734 -30.380 1.00 14.42 H new ATOM 0 HG21 THR A 44 11.166 29.971 -32.258 1.00 30.33 H new ATOM 0 HG22 THR A 44 11.700 29.437 -33.869 1.00 30.33 H new ATOM 0 HG23 THR A 44 10.548 28.448 -32.941 1.00 30.33 H new ATOM 677 N LYS A 45 10.796 26.399 -33.924 1.00 4.24 N ATOM 678 CA LYS A 45 9.624 25.538 -34.021 1.00 52.14 C ATOM 679 C LYS A 45 8.620 26.098 -35.024 1.00 71.43 C ATOM 680 O LYS A 45 7.919 25.344 -35.699 1.00 51.54 O ATOM 681 CB LYS A 45 8.961 25.387 -32.650 1.00 72.14 C ATOM 682 CG LYS A 45 7.554 24.818 -32.715 1.00 12.44 C ATOM 683 CD LYS A 45 6.957 24.649 -31.327 1.00 61.15 C ATOM 684 CE LYS A 45 6.043 23.435 -31.259 1.00 12.35 C ATOM 685 NZ LYS A 45 4.673 23.744 -31.754 1.00 13.24 N ATOM 0 H LYS A 45 10.782 27.202 -34.553 1.00 4.24 H new ATOM 0 HA LYS A 45 9.952 24.558 -34.369 1.00 52.14 H new ATOM 0 HB2 LYS A 45 9.578 24.739 -32.027 1.00 72.14 H new ATOM 0 HB3 LYS A 45 8.928 26.361 -32.162 1.00 72.14 H new ATOM 0 HG2 LYS A 45 6.920 25.478 -33.307 1.00 12.44 H new ATOM 0 HG3 LYS A 45 7.573 23.854 -33.224 1.00 12.44 H new ATOM 0 HD2 LYS A 45 7.758 24.544 -30.595 1.00 61.15 H new ATOM 0 HD3 LYS A 45 6.396 25.544 -31.059 1.00 61.15 H new ATOM 0 HE2 LYS A 45 6.469 22.626 -31.852 1.00 12.35 H new ATOM 0 HE3 LYS A 45 5.986 23.080 -30.230 1.00 12.35 H new ATOM 0 HZ1 LYS A 45 4.081 22.891 -31.691 1.00 13.24 H new ATOM 0 HZ2 LYS A 45 4.256 24.499 -31.173 1.00 13.24 H new ATOM 0 HZ3 LYS A 45 4.724 24.058 -32.744 1.00 13.24 H new ATOM 699 N GLN A 46 8.558 27.422 -35.117 1.00 1.13 N ATOM 700 CA GLN A 46 7.640 28.081 -36.038 1.00 43.03 C ATOM 701 C GLN A 46 8.348 29.188 -36.813 1.00 11.02 C ATOM 702 O GLN A 46 9.323 29.768 -36.335 1.00 35.31 O ATOM 703 CB GLN A 46 6.446 28.659 -35.276 1.00 62.44 C ATOM 704 CG GLN A 46 6.839 29.639 -34.183 1.00 32.11 C ATOM 705 CD GLN A 46 6.425 31.063 -34.499 1.00 73.52 C ATOM 706 OE1 GLN A 46 5.268 31.441 -34.311 1.00 42.21 O ATOM 707 NE2 GLN A 46 7.370 31.861 -34.983 1.00 35.45 N ATOM 0 H GLN A 46 9.133 28.060 -34.566 1.00 1.13 H new ATOM 0 HA GLN A 46 7.282 27.336 -36.749 1.00 43.03 H new ATOM 0 HB2 GLN A 46 5.784 29.161 -35.981 1.00 62.44 H new ATOM 0 HB3 GLN A 46 5.878 27.841 -34.832 1.00 62.44 H new ATOM 0 HG2 GLN A 46 6.381 29.332 -33.243 1.00 32.11 H new ATOM 0 HG3 GLN A 46 7.919 29.602 -34.038 1.00 32.11 H new ATOM 0 HE21 GLN A 46 8.316 31.505 -35.123 1.00 35.45 H new ATOM 0 HE22 GLN A 46 7.150 32.830 -35.215 1.00 35.45 H new ATOM 716 N ALA A 47 7.851 29.476 -38.011 1.00 72.33 N ATOM 717 CA ALA A 47 8.435 30.514 -38.851 1.00 54.22 C ATOM 718 C ALA A 47 7.679 30.643 -40.170 1.00 1.25 C ATOM 719 O ALA A 47 6.882 31.563 -40.351 1.00 54.33 O ATOM 720 CB ALA A 47 9.905 30.219 -39.110 1.00 13.41 C ATOM 0 H ALA A 47 7.045 29.005 -38.422 1.00 72.33 H new ATOM 0 HA ALA A 47 8.354 31.463 -38.321 1.00 54.22 H new ATOM 0 HB1 ALA A 47 10.328 31.003 -39.739 1.00 13.41 H new ATOM 0 HB2 ALA A 47 10.442 30.185 -38.162 1.00 13.41 H new ATOM 0 HB3 ALA A 47 10.000 29.258 -39.615 1.00 13.41 H new ATOM 726 N ARG A 48 7.936 29.716 -41.087 1.00 12.15 N ATOM 727 CA ARG A 48 7.281 29.728 -42.389 1.00 60.10 C ATOM 728 C ARG A 48 6.510 28.432 -42.621 1.00 54.05 C ATOM 729 O ARG A 48 7.085 27.343 -42.609 1.00 1.43 O ATOM 730 CB ARG A 48 8.313 29.926 -43.501 1.00 21.13 C ATOM 731 CG ARG A 48 9.114 31.211 -43.366 1.00 71.24 C ATOM 732 CD ARG A 48 8.267 32.431 -43.692 1.00 44.42 C ATOM 733 NE ARG A 48 8.077 32.597 -45.131 1.00 12.24 N ATOM 734 CZ ARG A 48 7.577 33.697 -45.684 1.00 20.33 C ATOM 735 NH1 ARG A 48 7.220 34.722 -44.923 1.00 11.11 N ATOM 736 NH2 ARG A 48 7.434 33.772 -47.001 1.00 0.13 N ATOM 0 H ARG A 48 8.593 28.947 -40.952 1.00 12.15 H new ATOM 0 HA ARG A 48 6.575 30.559 -42.405 1.00 60.10 H new ATOM 0 HB2 ARG A 48 8.999 29.079 -43.504 1.00 21.13 H new ATOM 0 HB3 ARG A 48 7.802 29.926 -44.464 1.00 21.13 H new ATOM 0 HG2 ARG A 48 9.500 31.295 -42.350 1.00 71.24 H new ATOM 0 HG3 ARG A 48 9.976 31.176 -44.033 1.00 71.24 H new ATOM 0 HD2 ARG A 48 7.296 32.338 -43.206 1.00 44.42 H new ATOM 0 HD3 ARG A 48 8.743 33.323 -43.284 1.00 44.42 H new ATOM 0 HE ARG A 48 8.343 31.827 -45.745 1.00 12.24 H new ATOM 0 HH11 ARG A 48 7.329 34.668 -43.910 1.00 11.11 H new ATOM 0 HH12 ARG A 48 6.837 35.565 -45.350 1.00 11.11 H new ATOM 0 HH21 ARG A 48 7.708 32.985 -47.589 1.00 0.13 H new ATOM 0 HH22 ARG A 48 7.050 34.617 -47.425 1.00 0.13 H new ATOM 750 N CYS A 49 5.204 28.557 -42.833 1.00 73.22 N ATOM 751 CA CYS A 49 4.352 27.397 -43.067 1.00 62.15 C ATOM 752 C CYS A 49 3.107 27.787 -43.859 1.00 2.02 C ATOM 753 O CYS A 49 2.928 28.950 -44.219 1.00 52.34 O ATOM 754 CB CYS A 49 3.946 26.759 -41.737 1.00 54.54 C ATOM 755 SG CYS A 49 4.283 24.972 -41.635 1.00 52.25 S ATOM 0 H CYS A 49 4.712 29.451 -42.848 1.00 73.22 H new ATOM 0 HA CYS A 49 4.920 26.672 -43.651 1.00 62.15 H new ATOM 0 HB2 CYS A 49 4.474 27.264 -40.928 1.00 54.54 H new ATOM 0 HB3 CYS A 49 2.881 26.927 -41.576 1.00 54.54 H new ATOM 0 HG CYS A 49 4.609 24.661 -40.416 1.00 52.25 H new ATOM 760 N TRP A 50 2.251 26.807 -44.125 1.00 2.14 N ATOM 761 CA TRP A 50 1.023 27.048 -44.873 1.00 74.20 C ATOM 762 C TRP A 50 -0.203 26.721 -44.027 1.00 60.42 C ATOM 763 O TRP A 50 -0.277 25.659 -43.408 1.00 74.22 O ATOM 764 CB TRP A 50 1.010 26.214 -46.155 1.00 64.40 C ATOM 765 CG TRP A 50 1.426 24.790 -45.941 1.00 64.32 C ATOM 766 CD1 TRP A 50 0.609 23.697 -45.881 1.00 41.25 C ATOM 767 CD2 TRP A 50 2.761 24.305 -45.757 1.00 0.42 C ATOM 768 NE1 TRP A 50 1.355 22.563 -45.671 1.00 64.21 N ATOM 769 CE2 TRP A 50 2.678 22.909 -45.592 1.00 23.22 C ATOM 770 CE3 TRP A 50 4.018 24.915 -45.717 1.00 71.10 C ATOM 771 CZ2 TRP A 50 3.805 22.116 -45.389 1.00 75.54 C ATOM 772 CZ3 TRP A 50 5.135 24.126 -45.516 1.00 14.23 C ATOM 773 CH2 TRP A 50 5.022 22.739 -45.355 1.00 23.32 C ATOM 0 H TRP A 50 2.385 25.839 -43.834 1.00 2.14 H new ATOM 0 HA TRP A 50 0.989 28.105 -45.135 1.00 74.20 H new ATOM 0 HB2 TRP A 50 0.007 26.232 -46.582 1.00 64.40 H new ATOM 0 HB3 TRP A 50 1.675 26.674 -46.886 1.00 64.40 H new ATOM 0 HD1 TRP A 50 -0.466 23.721 -45.984 1.00 41.25 H new ATOM 0 HE1 TRP A 50 0.984 21.617 -45.587 1.00 64.21 H new ATOM 0 HE3 TRP A 50 4.115 25.983 -45.841 1.00 71.10 H new ATOM 0 HZ2 TRP A 50 3.721 21.047 -45.263 1.00 75.54 H new ATOM 0 HZ3 TRP A 50 6.111 24.587 -45.483 1.00 14.23 H new ATOM 0 HH2 TRP A 50 5.914 22.150 -45.201 1.00 23.32 H new ATOM 784 N LYS A 51 -1.163 27.639 -44.005 1.00 32.34 N ATOM 785 CA LYS A 51 -2.387 27.448 -43.236 1.00 33.53 C ATOM 786 C LYS A 51 -3.283 26.400 -43.890 1.00 25.14 C ATOM 787 O LYS A 51 -3.618 26.507 -45.069 1.00 31.34 O ATOM 788 CB LYS A 51 -3.144 28.771 -43.106 1.00 12.23 C ATOM 789 CG LYS A 51 -3.381 29.469 -44.434 1.00 14.23 C ATOM 790 CD LYS A 51 -2.419 30.628 -44.634 1.00 71.13 C ATOM 791 CE LYS A 51 -2.167 30.894 -46.111 1.00 21.35 C ATOM 792 NZ LYS A 51 -0.722 31.112 -46.396 1.00 23.03 N ATOM 0 H LYS A 51 -1.117 28.523 -44.511 1.00 32.34 H new ATOM 0 HA LYS A 51 -2.110 27.095 -42.242 1.00 33.53 H new ATOM 0 HB2 LYS A 51 -4.105 28.585 -42.627 1.00 12.23 H new ATOM 0 HB3 LYS A 51 -2.584 29.437 -42.450 1.00 12.23 H new ATOM 0 HG2 LYS A 51 -3.264 28.754 -45.248 1.00 14.23 H new ATOM 0 HG3 LYS A 51 -4.407 29.835 -44.476 1.00 14.23 H new ATOM 0 HD2 LYS A 51 -2.825 31.525 -44.166 1.00 71.13 H new ATOM 0 HD3 LYS A 51 -1.474 30.408 -44.136 1.00 71.13 H new ATOM 0 HE2 LYS A 51 -2.530 30.051 -46.699 1.00 21.35 H new ATOM 0 HE3 LYS A 51 -2.735 31.770 -46.425 1.00 21.35 H new ATOM 0 HZ1 LYS A 51 -0.592 31.290 -47.412 1.00 23.03 H new ATOM 0 HZ2 LYS A 51 -0.381 31.932 -45.854 1.00 23.03 H new ATOM 0 HZ3 LYS A 51 -0.182 30.267 -46.121 1.00 23.03 H new ATOM 806 N GLU A 52 -3.666 25.389 -43.116 1.00 13.54 N ATOM 807 CA GLU A 52 -4.523 24.324 -43.621 1.00 74.42 C ATOM 808 C GLU A 52 -5.890 24.870 -44.024 1.00 72.43 C ATOM 809 O GLU A 52 -6.658 24.203 -44.718 1.00 35.54 O ATOM 810 CB GLU A 52 -4.691 23.229 -42.565 1.00 45.11 C ATOM 811 CG GLU A 52 -5.363 21.972 -43.092 1.00 45.31 C ATOM 812 CD GLU A 52 -6.719 21.727 -42.460 1.00 23.03 C ATOM 813 OE1 GLU A 52 -6.760 21.391 -41.258 1.00 22.54 O ATOM 814 OE2 GLU A 52 -7.738 21.871 -43.166 1.00 72.11 O ATOM 0 H GLU A 52 -3.396 25.286 -42.138 1.00 13.54 H new ATOM 0 HA GLU A 52 -4.046 23.898 -44.504 1.00 74.42 H new ATOM 0 HB2 GLU A 52 -3.711 22.967 -42.167 1.00 45.11 H new ATOM 0 HB3 GLU A 52 -5.277 23.623 -41.735 1.00 45.11 H new ATOM 0 HG2 GLU A 52 -5.479 22.053 -44.173 1.00 45.31 H new ATOM 0 HG3 GLU A 52 -4.718 21.114 -42.904 1.00 45.31 H new ATOM 821 N LYS A 53 -6.187 26.088 -43.584 1.00 74.43 N ATOM 822 CA LYS A 53 -7.460 26.726 -43.898 1.00 72.33 C ATOM 823 C LYS A 53 -7.512 27.144 -45.364 1.00 41.51 C ATOM 824 O LYS A 53 -8.552 27.039 -46.012 1.00 75.32 O ATOM 825 CB LYS A 53 -7.678 27.946 -43.000 1.00 62.33 C ATOM 826 CG LYS A 53 -6.687 29.069 -43.250 1.00 42.31 C ATOM 827 CD LYS A 53 -7.250 30.107 -44.207 1.00 64.31 C ATOM 828 CE LYS A 53 -8.104 31.132 -43.478 1.00 10.21 C ATOM 829 NZ LYS A 53 -9.549 30.773 -43.509 1.00 22.25 N ATOM 0 H LYS A 53 -5.563 26.653 -43.008 1.00 74.43 H new ATOM 0 HA LYS A 53 -8.255 26.003 -43.716 1.00 72.33 H new ATOM 0 HB2 LYS A 53 -8.689 28.324 -43.153 1.00 62.33 H new ATOM 0 HB3 LYS A 53 -7.608 27.636 -41.957 1.00 62.33 H new ATOM 0 HG2 LYS A 53 -6.430 29.546 -42.304 1.00 42.31 H new ATOM 0 HG3 LYS A 53 -5.765 28.657 -43.660 1.00 42.31 H new ATOM 0 HD2 LYS A 53 -6.432 30.612 -44.720 1.00 64.31 H new ATOM 0 HD3 LYS A 53 -7.848 29.612 -44.972 1.00 64.31 H new ATOM 0 HE2 LYS A 53 -7.772 31.211 -42.443 1.00 10.21 H new ATOM 0 HE3 LYS A 53 -7.963 32.112 -43.934 1.00 10.21 H new ATOM 0 HZ1 LYS A 53 -10.123 31.637 -43.436 1.00 22.25 H new ATOM 0 HZ2 LYS A 53 -9.767 30.287 -44.402 1.00 22.25 H new ATOM 0 HZ3 LYS A 53 -9.768 30.144 -42.710 1.00 22.25 H new ATOM 843 N GLU A 54 -6.382 27.619 -45.880 1.00 30.52 N ATOM 844 CA GLU A 54 -6.300 28.052 -47.270 1.00 13.14 C ATOM 845 C GLU A 54 -5.558 27.023 -48.118 1.00 14.02 C ATOM 846 O GLU A 54 -5.748 26.950 -49.332 1.00 73.11 O ATOM 847 CB GLU A 54 -5.598 29.408 -47.364 1.00 10.35 C ATOM 848 CG GLU A 54 -6.548 30.592 -47.289 1.00 62.12 C ATOM 849 CD GLU A 54 -6.907 31.138 -48.657 1.00 55.22 C ATOM 850 OE1 GLU A 54 -6.758 30.395 -49.650 1.00 0.20 O ATOM 851 OE2 GLU A 54 -7.338 32.308 -48.735 1.00 62.34 O ATOM 0 H GLU A 54 -5.512 27.713 -45.357 1.00 30.52 H new ATOM 0 HA GLU A 54 -7.316 28.149 -47.654 1.00 13.14 H new ATOM 0 HB2 GLU A 54 -4.869 29.487 -46.558 1.00 10.35 H new ATOM 0 HB3 GLU A 54 -5.044 29.456 -48.301 1.00 10.35 H new ATOM 0 HG2 GLU A 54 -7.459 30.290 -46.772 1.00 62.12 H new ATOM 0 HG3 GLU A 54 -6.091 31.383 -46.695 1.00 62.12 H new ATOM 858 N PHE A 55 -4.712 26.230 -47.469 1.00 71.12 N ATOM 859 CA PHE A 55 -3.940 25.206 -48.163 1.00 22.21 C ATOM 860 C PHE A 55 -4.445 23.810 -47.808 1.00 42.31 C ATOM 861 O PHE A 55 -4.322 23.348 -46.674 1.00 21.22 O ATOM 862 CB PHE A 55 -2.456 25.329 -47.809 1.00 72.33 C ATOM 863 CG PHE A 55 -1.665 26.120 -48.811 1.00 1.42 C ATOM 864 CD1 PHE A 55 -1.877 27.481 -48.961 1.00 52.34 C ATOM 865 CD2 PHE A 55 -0.708 25.504 -49.601 1.00 74.13 C ATOM 866 CE1 PHE A 55 -1.151 28.212 -49.883 1.00 21.22 C ATOM 867 CE2 PHE A 55 0.021 26.229 -50.524 1.00 43.41 C ATOM 868 CZ PHE A 55 -0.200 27.585 -50.664 1.00 43.43 C ATOM 0 H PHE A 55 -4.544 26.277 -46.464 1.00 71.12 H new ATOM 0 HA PHE A 55 -4.065 25.357 -49.235 1.00 22.21 H new ATOM 0 HB2 PHE A 55 -2.362 25.800 -46.830 1.00 72.33 H new ATOM 0 HB3 PHE A 55 -2.027 24.331 -47.725 1.00 72.33 H new ATOM 0 HD1 PHE A 55 -2.618 27.976 -48.351 1.00 52.34 H new ATOM 0 HD2 PHE A 55 -0.530 24.444 -49.494 1.00 74.13 H new ATOM 0 HE1 PHE A 55 -1.327 29.272 -49.992 1.00 21.22 H new ATOM 0 HE2 PHE A 55 0.763 25.736 -51.135 1.00 43.41 H new ATOM 0 HZ PHE A 55 0.370 28.154 -51.383 1.00 43.43 H new ATOM 878 N PRO A 56 -5.028 23.122 -48.801 1.00 42.42 N ATOM 879 CA PRO A 56 -5.564 21.770 -48.619 1.00 44.12 C ATOM 880 C PRO A 56 -4.464 20.734 -48.415 1.00 20.41 C ATOM 881 O PRO A 56 -4.674 19.713 -47.761 1.00 1.23 O ATOM 882 CB PRO A 56 -6.311 21.506 -49.928 1.00 73.44 C ATOM 883 CG PRO A 56 -5.644 22.384 -50.930 1.00 14.33 C ATOM 884 CD PRO A 56 -5.208 23.612 -50.178 1.00 74.33 C ATOM 0 HA PRO A 56 -6.192 21.696 -47.731 1.00 44.12 H new ATOM 0 HB2 PRO A 56 -6.246 20.457 -50.216 1.00 73.44 H new ATOM 0 HB3 PRO A 56 -7.370 21.746 -49.834 1.00 73.44 H new ATOM 0 HG2 PRO A 56 -4.790 21.880 -51.384 1.00 14.33 H new ATOM 0 HG3 PRO A 56 -6.328 22.643 -51.738 1.00 14.33 H new ATOM 0 HD2 PRO A 56 -4.283 24.024 -50.582 1.00 74.33 H new ATOM 0 HD3 PRO A 56 -5.958 24.402 -50.229 1.00 74.33 H new ATOM 892 N ASN A 57 -3.291 21.003 -48.979 1.00 70.10 N ATOM 893 CA ASN A 57 -2.158 20.093 -48.858 1.00 60.34 C ATOM 894 C ASN A 57 -1.781 19.884 -47.395 1.00 33.12 C ATOM 895 O ASN A 57 -1.373 18.793 -46.998 1.00 2.00 O ATOM 896 CB ASN A 57 -0.956 20.636 -49.634 1.00 21.04 C ATOM 897 CG ASN A 57 -0.505 19.695 -50.734 1.00 42.54 C ATOM 898 OD1 ASN A 57 -0.330 20.104 -51.882 1.00 44.43 O ATOM 899 ND2 ASN A 57 -0.315 18.428 -50.388 1.00 63.41 N ATOM 0 H ASN A 57 -3.100 21.844 -49.524 1.00 70.10 H new ATOM 0 HA ASN A 57 -2.450 19.131 -49.280 1.00 60.34 H new ATOM 0 HB2 ASN A 57 -1.214 21.602 -50.069 1.00 21.04 H new ATOM 0 HB3 ASN A 57 -0.129 20.807 -48.945 1.00 21.04 H new ATOM 0 HD21 ASN A 57 -0.012 17.749 -51.086 1.00 63.41 H new ATOM 0 HD22 ASN A 57 -0.472 18.133 -49.424 1.00 63.41 H new ATOM 906 N ALA A 58 -1.922 20.937 -46.597 1.00 54.51 N ATOM 907 CA ALA A 58 -1.600 20.869 -45.177 1.00 42.33 C ATOM 908 C ALA A 58 -2.371 19.746 -44.492 1.00 62.15 C ATOM 909 O ALA A 58 -1.795 18.939 -43.763 1.00 31.43 O ATOM 910 CB ALA A 58 -1.895 22.201 -44.504 1.00 55.53 C ATOM 0 H ALA A 58 -2.257 21.848 -46.910 1.00 54.51 H new ATOM 0 HA ALA A 58 -0.536 20.654 -45.082 1.00 42.33 H new ATOM 0 HB1 ALA A 58 -1.650 22.135 -43.444 1.00 55.53 H new ATOM 0 HB2 ALA A 58 -1.295 22.984 -44.968 1.00 55.53 H new ATOM 0 HB3 ALA A 58 -2.952 22.440 -44.618 1.00 55.53 H new ATOM 916 N LYS A 59 -3.677 19.700 -44.732 1.00 30.15 N ATOM 917 CA LYS A 59 -4.528 18.675 -44.139 1.00 12.24 C ATOM 918 C LYS A 59 -4.199 17.298 -44.707 1.00 4.54 C ATOM 919 O LYS A 59 -4.124 16.316 -43.970 1.00 65.42 O ATOM 920 CB LYS A 59 -6.003 19.001 -44.387 1.00 4.41 C ATOM 921 CG LYS A 59 -6.897 18.721 -43.192 1.00 12.02 C ATOM 922 CD LYS A 59 -6.960 17.235 -42.879 1.00 11.53 C ATOM 923 CE LYS A 59 -7.568 16.449 -44.030 1.00 21.53 C ATOM 924 NZ LYS A 59 -8.333 15.264 -43.549 1.00 43.52 N ATOM 0 H LYS A 59 -4.169 20.361 -45.333 1.00 30.15 H new ATOM 0 HA LYS A 59 -4.341 18.660 -43.065 1.00 12.24 H new ATOM 0 HB2 LYS A 59 -6.093 20.053 -44.659 1.00 4.41 H new ATOM 0 HB3 LYS A 59 -6.357 18.420 -45.239 1.00 4.41 H new ATOM 0 HG2 LYS A 59 -6.523 19.261 -42.322 1.00 12.02 H new ATOM 0 HG3 LYS A 59 -7.901 19.095 -43.392 1.00 12.02 H new ATOM 0 HD2 LYS A 59 -5.957 16.863 -42.673 1.00 11.53 H new ATOM 0 HD3 LYS A 59 -7.551 17.077 -41.977 1.00 11.53 H new ATOM 0 HE2 LYS A 59 -8.228 17.099 -44.605 1.00 21.53 H new ATOM 0 HE3 LYS A 59 -6.777 16.121 -44.704 1.00 21.53 H new ATOM 0 HZ1 LYS A 59 -8.760 14.774 -44.361 1.00 43.52 H new ATOM 0 HZ2 LYS A 59 -7.691 14.615 -43.051 1.00 43.52 H new ATOM 0 HZ3 LYS A 59 -9.083 15.575 -42.899 1.00 43.52 H new ATOM 938 N GLU A 60 -4.002 17.237 -46.020 1.00 24.31 N ATOM 939 CA GLU A 60 -3.679 15.980 -46.685 1.00 32.30 C ATOM 940 C GLU A 60 -2.402 15.373 -46.112 1.00 23.01 C ATOM 941 O GLU A 60 -2.333 14.170 -45.855 1.00 43.24 O ATOM 942 CB GLU A 60 -3.521 16.200 -48.191 1.00 35.30 C ATOM 943 CG GLU A 60 -4.780 15.895 -48.986 1.00 13.54 C ATOM 944 CD GLU A 60 -4.664 14.619 -49.796 1.00 54.22 C ATOM 945 OE1 GLU A 60 -5.003 13.543 -49.259 1.00 43.43 O ATOM 946 OE2 GLU A 60 -4.235 14.696 -50.966 1.00 75.43 O ATOM 0 H GLU A 60 -4.060 18.042 -46.644 1.00 24.31 H new ATOM 0 HA GLU A 60 -4.501 15.285 -46.511 1.00 32.30 H new ATOM 0 HB2 GLU A 60 -3.230 17.235 -48.370 1.00 35.30 H new ATOM 0 HB3 GLU A 60 -2.709 15.573 -48.558 1.00 35.30 H new ATOM 0 HG2 GLU A 60 -5.625 15.812 -48.303 1.00 13.54 H new ATOM 0 HG3 GLU A 60 -4.993 16.728 -49.656 1.00 13.54 H new ATOM 953 N LEU A 61 -1.392 16.213 -45.914 1.00 41.22 N ATOM 954 CA LEU A 61 -0.115 15.761 -45.372 1.00 13.11 C ATOM 955 C LEU A 61 -0.263 15.333 -43.915 1.00 74.04 C ATOM 956 O LEU A 61 0.224 14.275 -43.515 1.00 51.24 O ATOM 957 CB LEU A 61 0.931 16.871 -45.485 1.00 41.13 C ATOM 958 CG LEU A 61 1.171 17.426 -46.890 1.00 5.13 C ATOM 959 CD1 LEU A 61 1.513 18.907 -46.827 1.00 70.33 C ATOM 960 CD2 LEU A 61 2.279 16.650 -47.587 1.00 42.34 C ATOM 0 H LEU A 61 -1.432 17.211 -46.121 1.00 41.22 H new ATOM 0 HA LEU A 61 0.214 14.900 -45.953 1.00 13.11 H new ATOM 0 HB2 LEU A 61 0.630 17.694 -44.837 1.00 41.13 H new ATOM 0 HB3 LEU A 61 1.877 16.492 -45.099 1.00 41.13 H new ATOM 0 HG LEU A 61 0.254 17.310 -47.468 1.00 5.13 H new ATOM 0 HD11 LEU A 61 1.681 19.285 -47.836 1.00 70.33 H new ATOM 0 HD12 LEU A 61 0.688 19.452 -46.368 1.00 70.33 H new ATOM 0 HD13 LEU A 61 2.416 19.047 -46.233 1.00 70.33 H new ATOM 0 HD21 LEU A 61 2.437 17.058 -48.585 1.00 42.34 H new ATOM 0 HD22 LEU A 61 3.200 16.735 -47.011 1.00 42.34 H new ATOM 0 HD23 LEU A 61 1.995 15.601 -47.665 1.00 42.34 H new ATOM 972 N CYS A 62 -0.941 16.161 -43.127 1.00 22.52 N ATOM 973 CA CYS A 62 -1.156 15.868 -41.715 1.00 25.12 C ATOM 974 C CYS A 62 -1.942 14.572 -41.541 1.00 74.04 C ATOM 975 O CYS A 62 -1.634 13.758 -40.671 1.00 34.32 O ATOM 976 CB CYS A 62 -1.899 17.023 -41.040 1.00 64.24 C ATOM 977 SG CYS A 62 -0.948 17.852 -39.726 1.00 70.11 S ATOM 0 H CYS A 62 -1.351 17.040 -43.442 1.00 22.52 H new ATOM 0 HA CYS A 62 -0.181 15.747 -41.243 1.00 25.12 H new ATOM 0 HB2 CYS A 62 -2.170 17.759 -41.797 1.00 64.24 H new ATOM 0 HB3 CYS A 62 -2.829 16.644 -40.617 1.00 64.24 H new ATOM 0 HG CYS A 62 0.145 17.187 -39.496 1.00 70.11 H new ATOM 982 N PHE A 63 -2.960 14.388 -42.376 1.00 64.34 N ATOM 983 CA PHE A 63 -3.792 13.192 -42.316 1.00 24.43 C ATOM 984 C PHE A 63 -3.049 11.984 -42.879 1.00 72.45 C ATOM 985 O PHE A 63 -3.119 10.886 -42.328 1.00 33.30 O ATOM 986 CB PHE A 63 -5.094 13.411 -43.089 1.00 23.43 C ATOM 987 CG PHE A 63 -6.301 12.835 -42.405 1.00 1.23 C ATOM 988 CD1 PHE A 63 -6.776 13.389 -41.227 1.00 24.24 C ATOM 989 CD2 PHE A 63 -6.961 11.740 -42.940 1.00 5.44 C ATOM 990 CE1 PHE A 63 -7.886 12.862 -40.595 1.00 14.12 C ATOM 991 CE2 PHE A 63 -8.072 11.210 -42.313 1.00 21.34 C ATOM 992 CZ PHE A 63 -8.535 11.770 -41.138 1.00 43.41 C ATOM 0 H PHE A 63 -3.228 15.052 -43.102 1.00 64.34 H new ATOM 0 HA PHE A 63 -4.028 12.996 -41.270 1.00 24.43 H new ATOM 0 HB2 PHE A 63 -5.245 14.481 -43.235 1.00 23.43 H new ATOM 0 HB3 PHE A 63 -4.999 12.964 -44.079 1.00 23.43 H new ATOM 0 HD1 PHE A 63 -6.273 14.243 -40.798 1.00 24.24 H new ATOM 0 HD2 PHE A 63 -6.603 11.296 -43.857 1.00 5.44 H new ATOM 0 HE1 PHE A 63 -8.246 13.303 -39.677 1.00 14.12 H new ATOM 0 HE2 PHE A 63 -8.579 10.358 -42.741 1.00 21.34 H new ATOM 0 HZ PHE A 63 -9.402 11.355 -40.645 1.00 43.41 H new ATOM 1002 N ALA A 64 -2.339 12.195 -43.982 1.00 43.15 N ATOM 1003 CA ALA A 64 -1.582 11.125 -44.621 1.00 12.22 C ATOM 1004 C ALA A 64 -0.371 10.733 -43.782 1.00 4.42 C ATOM 1005 O ALA A 64 0.176 9.642 -43.936 1.00 11.12 O ATOM 1006 CB ALA A 64 -1.146 11.547 -46.016 1.00 72.12 C ATOM 0 H ALA A 64 -2.272 13.098 -44.452 1.00 43.15 H new ATOM 0 HA ALA A 64 -2.231 10.253 -44.704 1.00 12.22 H new ATOM 0 HB1 ALA A 64 -0.582 10.739 -46.481 1.00 72.12 H new ATOM 0 HB2 ALA A 64 -2.025 11.770 -46.620 1.00 72.12 H new ATOM 0 HB3 ALA A 64 -0.518 12.435 -45.948 1.00 72.12 H new ATOM 1012 N ASN A 65 0.044 11.632 -42.894 1.00 63.44 N ATOM 1013 CA ASN A 65 1.193 11.380 -42.032 1.00 32.44 C ATOM 1014 C ASN A 65 1.064 10.028 -41.336 1.00 24.20 C ATOM 1015 O ASN A 65 0.026 9.713 -40.755 1.00 33.54 O ATOM 1016 CB ASN A 65 1.328 12.491 -40.989 1.00 55.41 C ATOM 1017 CG ASN A 65 0.802 12.075 -39.629 1.00 12.31 C ATOM 1018 OD1 ASN A 65 -0.399 11.872 -39.451 1.00 33.30 O ATOM 1019 ND2 ASN A 65 1.702 11.947 -38.661 1.00 13.43 N ATOM 0 H ASN A 65 -0.398 12.540 -42.753 1.00 63.44 H new ATOM 0 HA ASN A 65 2.087 11.365 -42.655 1.00 32.44 H new ATOM 0 HB2 ASN A 65 2.376 12.775 -40.899 1.00 55.41 H new ATOM 0 HB3 ASN A 65 0.787 13.374 -41.330 1.00 55.41 H new ATOM 0 HD21 ASN A 65 1.408 11.670 -37.724 1.00 13.43 H new ATOM 0 HD22 ASN A 65 2.688 12.126 -38.854 1.00 13.43 H new ATOM 1026 N CYS A 66 2.127 9.233 -41.399 1.00 62.33 N ATOM 1027 CA CYS A 66 2.135 7.915 -40.776 1.00 61.21 C ATOM 1028 C CYS A 66 3.456 7.197 -41.038 1.00 40.12 C ATOM 1029 O CYS A 66 4.156 7.469 -42.014 1.00 71.20 O ATOM 1030 CB CYS A 66 0.971 7.072 -41.302 1.00 2.25 C ATOM 1031 SG CYS A 66 -0.349 6.783 -40.080 1.00 4.25 S ATOM 0 H CYS A 66 2.995 9.479 -41.876 1.00 62.33 H new ATOM 0 HA CYS A 66 2.021 8.049 -39.700 1.00 61.21 H new ATOM 0 HB2 CYS A 66 0.543 7.567 -42.174 1.00 2.25 H new ATOM 0 HB3 CYS A 66 1.356 6.110 -41.639 1.00 2.25 H new ATOM 1036 N PRO A 67 3.806 6.258 -40.147 1.00 20.12 N ATOM 1037 CA PRO A 67 5.044 5.481 -40.260 1.00 51.03 C ATOM 1038 C PRO A 67 5.008 4.500 -41.427 1.00 35.42 C ATOM 1039 O PRO A 67 3.963 4.253 -42.029 1.00 74.42 O ATOM 1040 CB PRO A 67 5.113 4.728 -38.930 1.00 21.44 C ATOM 1041 CG PRO A 67 3.698 4.630 -38.476 1.00 34.23 C ATOM 1042 CD PRO A 67 3.020 5.882 -38.960 1.00 31.22 C ATOM 0 HA PRO A 67 5.909 6.117 -40.450 1.00 51.03 H new ATOM 0 HB2 PRO A 67 5.557 3.741 -39.057 1.00 21.44 H new ATOM 0 HB3 PRO A 67 5.726 5.262 -38.204 1.00 21.44 H new ATOM 0 HG2 PRO A 67 3.217 3.742 -38.887 1.00 34.23 H new ATOM 0 HG3 PRO A 67 3.641 4.550 -37.390 1.00 34.23 H new ATOM 0 HD2 PRO A 67 1.975 5.702 -39.211 1.00 31.22 H new ATOM 0 HD3 PRO A 67 3.036 6.666 -38.203 1.00 31.22 H new ATOM 1050 N PRO A 68 6.174 3.925 -41.755 1.00 5.24 N ATOM 1051 CA PRO A 68 6.302 2.960 -42.851 1.00 15.51 C ATOM 1052 C PRO A 68 5.624 1.632 -42.535 1.00 71.52 C ATOM 1053 O PRO A 68 5.462 1.267 -41.370 1.00 30.12 O ATOM 1054 CB PRO A 68 7.815 2.771 -42.983 1.00 53.01 C ATOM 1055 CG PRO A 68 8.357 3.102 -41.636 1.00 1.14 C ATOM 1056 CD PRO A 68 7.460 4.173 -41.080 1.00 34.13 C ATOM 0 HA PRO A 68 5.822 3.314 -43.764 1.00 15.51 H new ATOM 0 HB2 PRO A 68 8.063 1.749 -43.269 1.00 53.01 H new ATOM 0 HB3 PRO A 68 8.230 3.426 -43.749 1.00 53.01 H new ATOM 0 HG2 PRO A 68 8.362 2.223 -40.991 1.00 1.14 H new ATOM 0 HG3 PRO A 68 9.387 3.453 -41.705 1.00 1.14 H new ATOM 0 HD2 PRO A 68 7.367 4.097 -39.997 1.00 34.13 H new ATOM 0 HD3 PRO A 68 7.842 5.170 -41.297 1.00 34.13 H new ATOM 1064 N LEU A 69 5.230 0.911 -43.579 1.00 72.03 N ATOM 1065 CA LEU A 69 4.570 -0.379 -43.413 1.00 74.22 C ATOM 1066 C LEU A 69 5.525 -1.525 -43.731 1.00 1.10 C ATOM 1067 O LEU A 69 5.121 -2.547 -44.284 1.00 32.12 O ATOM 1068 CB LEU A 69 3.337 -0.463 -44.315 1.00 32.31 C ATOM 1069 CG LEU A 69 3.538 -0.034 -45.769 1.00 11.14 C ATOM 1070 CD1 LEU A 69 2.657 -0.858 -46.695 1.00 41.42 C ATOM 1071 CD2 LEU A 69 3.245 1.450 -45.932 1.00 4.53 C ATOM 0 H LEU A 69 5.356 1.198 -44.550 1.00 72.03 H new ATOM 0 HA LEU A 69 4.259 -0.468 -42.372 1.00 74.22 H new ATOM 0 HB2 LEU A 69 2.975 -1.491 -44.307 1.00 32.31 H new ATOM 0 HB3 LEU A 69 2.551 0.155 -43.880 1.00 32.31 H new ATOM 0 HG LEU A 69 4.579 -0.210 -46.040 1.00 11.14 H new ATOM 0 HD11 LEU A 69 2.813 -0.539 -47.725 1.00 41.42 H new ATOM 0 HD12 LEU A 69 2.914 -1.913 -46.599 1.00 41.42 H new ATOM 0 HD13 LEU A 69 1.611 -0.714 -46.425 1.00 41.42 H new ATOM 0 HD21 LEU A 69 3.393 1.738 -46.973 1.00 4.53 H new ATOM 0 HD22 LEU A 69 2.213 1.651 -45.643 1.00 4.53 H new ATOM 0 HD23 LEU A 69 3.918 2.026 -45.297 1.00 4.53 H new ATOM 1083 N GLU A 70 6.794 -1.347 -43.376 1.00 13.44 N ATOM 1084 CA GLU A 70 7.806 -2.367 -43.622 1.00 50.32 C ATOM 1085 C GLU A 70 7.668 -3.521 -42.633 1.00 53.32 C ATOM 1086 O GLU A 70 6.624 -3.689 -42.003 1.00 3.10 O ATOM 1087 CB GLU A 70 9.207 -1.761 -43.523 1.00 5.31 C ATOM 1088 CG GLU A 70 10.147 -2.216 -44.627 1.00 10.30 C ATOM 1089 CD GLU A 70 10.798 -3.551 -44.325 1.00 61.43 C ATOM 1090 OE1 GLU A 70 11.818 -3.564 -43.604 1.00 72.21 O ATOM 1091 OE2 GLU A 70 10.289 -4.583 -44.810 1.00 70.31 O ATOM 0 H GLU A 70 7.145 -0.506 -42.917 1.00 13.44 H new ATOM 0 HA GLU A 70 7.656 -2.755 -44.629 1.00 50.32 H new ATOM 0 HB2 GLU A 70 9.126 -0.674 -43.551 1.00 5.31 H new ATOM 0 HB3 GLU A 70 9.640 -2.024 -42.558 1.00 5.31 H new ATOM 0 HG2 GLU A 70 9.593 -2.289 -45.563 1.00 10.30 H new ATOM 0 HG3 GLU A 70 10.921 -1.463 -44.773 1.00 10.30 H new