USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 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 44 THR OG1 : rot 150:sc= -0.029 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 141:sc= 0.501 (180deg=0) USER MOD Set 2.1: A 39 CYS SG : rot -176:sc= -20.7! USER MOD Set 2.2: A 49 CYS SG : rot -34:sc= -24! USER MOD Set 3.1: A 36 CYS SG : rot -41:sc= -20.7! USER MOD Set 3.2: A 62 CYS SG : rot -118:sc= -22.2! USER MOD Single : A 13 SER OG : rot 180:sc= -0.402 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -143:sc= -0.0577 (180deg=-0.287) USER MOD Single : A 23 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=-0.00078) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 27 SER OG : rot 50:sc= -0.644 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= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,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= -1.08 K(o=-1.1,f=-0.073) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 170 N ARG A 12 -2.574 -0.253 -24.349 1.00 72.12 N ATOM 171 CA ARG A 12 -2.133 -1.056 -25.483 1.00 51.25 C ATOM 172 C ARG A 12 -2.470 -0.365 -26.802 1.00 22.22 C ATOM 173 O ARG A 12 -3.516 -0.620 -27.398 1.00 61.33 O ATOM 174 CB ARG A 12 -2.784 -2.440 -25.440 1.00 5.23 C ATOM 175 CG ARG A 12 -4.288 -2.399 -25.229 1.00 32.25 C ATOM 176 CD ARG A 12 -4.988 -3.511 -25.995 1.00 14.43 C ATOM 177 NE ARG A 12 -6.160 -3.023 -26.718 1.00 3.10 N ATOM 178 CZ ARG A 12 -6.970 -3.808 -27.418 1.00 74.15 C ATOM 179 NH1 ARG A 12 -6.738 -5.112 -27.489 1.00 53.54 N ATOM 180 NH2 ARG A 12 -8.016 -3.290 -28.049 1.00 53.24 N ATOM 0 HA ARG A 12 -1.051 -1.169 -25.417 1.00 51.25 H new ATOM 0 HB2 ARG A 12 -2.571 -2.962 -26.373 1.00 5.23 H new ATOM 0 HB3 ARG A 12 -2.329 -3.022 -24.638 1.00 5.23 H new ATOM 0 HG2 ARG A 12 -4.510 -2.492 -24.166 1.00 32.25 H new ATOM 0 HG3 ARG A 12 -4.676 -1.433 -25.552 1.00 32.25 H new ATOM 0 HD2 ARG A 12 -4.289 -3.962 -26.700 1.00 14.43 H new ATOM 0 HD3 ARG A 12 -5.291 -4.295 -25.301 1.00 14.43 H new ATOM 0 HE ARG A 12 -6.367 -2.025 -26.683 1.00 3.10 H new ATOM 0 HH11 ARG A 12 -5.935 -5.514 -27.005 1.00 53.54 H new ATOM 0 HH12 ARG A 12 -7.362 -5.712 -28.028 1.00 53.54 H new ATOM 0 HH21 ARG A 12 -8.198 -2.288 -27.996 1.00 53.24 H new ATOM 0 HH22 ARG A 12 -8.638 -3.894 -28.587 1.00 53.24 H new ATOM 194 N SER A 13 -1.576 0.511 -27.250 1.00 71.53 N ATOM 195 CA SER A 13 -1.780 1.241 -28.496 1.00 11.34 C ATOM 196 C SER A 13 -0.543 1.157 -29.384 1.00 4.21 C ATOM 197 O SER A 13 0.421 0.462 -29.061 1.00 54.02 O ATOM 198 CB SER A 13 -2.114 2.706 -28.204 1.00 23.54 C ATOM 199 OG SER A 13 -2.076 2.969 -26.812 1.00 5.52 O ATOM 0 H SER A 13 -0.704 0.732 -26.769 1.00 71.53 H new ATOM 0 HA SER A 13 -2.616 0.783 -29.024 1.00 11.34 H new ATOM 0 HB2 SER A 13 -1.405 3.354 -28.719 1.00 23.54 H new ATOM 0 HB3 SER A 13 -3.104 2.942 -28.595 1.00 23.54 H new ATOM 0 HG SER A 13 -2.291 3.911 -26.651 1.00 5.52 H new ATOM 205 N SER A 14 -0.577 1.871 -30.505 1.00 22.23 N ATOM 206 CA SER A 14 0.540 1.875 -31.443 1.00 34.12 C ATOM 207 C SER A 14 0.997 3.300 -31.736 1.00 44.33 C ATOM 208 O SER A 14 1.490 3.595 -32.826 1.00 13.45 O ATOM 209 CB SER A 14 0.142 1.177 -32.745 1.00 31.44 C ATOM 210 OG SER A 14 0.298 -0.228 -32.638 1.00 50.23 O ATOM 0 H SER A 14 -1.366 2.454 -30.786 1.00 22.23 H new ATOM 0 HA SER A 14 1.368 1.333 -30.987 1.00 34.12 H new ATOM 0 HB2 SER A 14 -0.894 1.414 -32.986 1.00 31.44 H new ATOM 0 HB3 SER A 14 0.754 1.553 -33.565 1.00 31.44 H new ATOM 0 HG SER A 14 0.036 -0.651 -33.482 1.00 50.23 H new ATOM 216 N LYS A 15 0.831 4.182 -30.756 1.00 64.11 N ATOM 217 CA LYS A 15 1.228 5.577 -30.906 1.00 13.01 C ATOM 218 C LYS A 15 2.745 5.705 -30.997 1.00 71.14 C ATOM 219 O LYS A 15 3.480 4.958 -30.351 1.00 30.11 O ATOM 220 CB LYS A 15 0.705 6.406 -29.730 1.00 44.03 C ATOM 221 CG LYS A 15 1.514 6.231 -28.456 1.00 54.32 C ATOM 222 CD LYS A 15 1.160 4.936 -27.744 1.00 54.35 C ATOM 223 CE LYS A 15 2.230 3.876 -27.952 1.00 20.24 C ATOM 224 NZ LYS A 15 2.388 3.006 -26.753 1.00 62.13 N ATOM 0 H LYS A 15 0.424 3.955 -29.849 1.00 64.11 H new ATOM 0 HA LYS A 15 0.794 5.955 -31.832 1.00 13.01 H new ATOM 0 HB2 LYS A 15 0.706 7.460 -30.010 1.00 44.03 H new ATOM 0 HB3 LYS A 15 -0.331 6.130 -29.534 1.00 44.03 H new ATOM 0 HG2 LYS A 15 2.577 6.237 -28.696 1.00 54.32 H new ATOM 0 HG3 LYS A 15 1.333 7.075 -27.790 1.00 54.32 H new ATOM 0 HD2 LYS A 15 1.038 5.127 -26.678 1.00 54.35 H new ATOM 0 HD3 LYS A 15 0.203 4.566 -28.113 1.00 54.35 H new ATOM 0 HE2 LYS A 15 1.971 3.262 -28.815 1.00 20.24 H new ATOM 0 HE3 LYS A 15 3.181 4.359 -28.178 1.00 20.24 H new ATOM 0 HZ1 LYS A 15 3.126 2.296 -26.934 1.00 62.13 H new ATOM 0 HZ2 LYS A 15 2.660 3.588 -25.935 1.00 62.13 H new ATOM 0 HZ3 LYS A 15 1.488 2.526 -26.552 1.00 62.13 H new ATOM 238 N ILE A 16 3.206 6.656 -31.802 1.00 64.24 N ATOM 239 CA ILE A 16 4.636 6.882 -31.975 1.00 51.25 C ATOM 240 C ILE A 16 4.900 8.184 -32.724 1.00 53.23 C ATOM 241 O ILE A 16 3.983 8.787 -33.284 1.00 30.24 O ATOM 242 CB ILE A 16 5.302 5.721 -32.737 1.00 53.03 C ATOM 243 CG1 ILE A 16 4.262 4.962 -33.564 1.00 52.11 C ATOM 244 CG2 ILE A 16 6.002 4.782 -31.766 1.00 14.52 C ATOM 245 CD1 ILE A 16 4.868 4.023 -34.583 1.00 63.11 C ATOM 0 H ILE A 16 2.611 7.282 -32.344 1.00 64.24 H new ATOM 0 HA ILE A 16 5.068 6.945 -30.976 1.00 51.25 H new ATOM 0 HB ILE A 16 6.049 6.133 -33.416 1.00 53.03 H new ATOM 0 HG12 ILE A 16 3.621 4.391 -32.892 1.00 52.11 H new ATOM 0 HG13 ILE A 16 3.624 5.681 -34.078 1.00 52.11 H new ATOM 0 HG21 ILE A 16 6.468 3.967 -32.320 1.00 14.52 H new ATOM 0 HG22 ILE A 16 6.767 5.331 -31.217 1.00 14.52 H new ATOM 0 HG23 ILE A 16 5.274 4.375 -31.065 1.00 14.52 H new ATOM 0 HD11 ILE A 16 4.072 3.519 -35.132 1.00 63.11 H new ATOM 0 HD12 ILE A 16 5.486 4.591 -35.279 1.00 63.11 H new ATOM 0 HD13 ILE A 16 5.483 3.281 -34.074 1.00 63.11 H new ATOM 257 N ILE A 17 6.158 8.611 -32.732 1.00 52.31 N ATOM 258 CA ILE A 17 6.543 9.840 -33.415 1.00 54.20 C ATOM 259 C ILE A 17 7.509 9.554 -34.559 1.00 25.11 C ATOM 260 O ILE A 17 8.071 8.462 -34.653 1.00 70.42 O ATOM 261 CB ILE A 17 7.195 10.843 -32.445 1.00 21.31 C ATOM 262 CG1 ILE A 17 8.683 10.527 -32.275 1.00 74.01 C ATOM 263 CG2 ILE A 17 6.486 10.816 -31.099 1.00 55.34 C ATOM 264 CD1 ILE A 17 8.947 9.147 -31.716 1.00 24.31 C ATOM 0 H ILE A 17 6.928 8.124 -32.273 1.00 52.31 H new ATOM 0 HA ILE A 17 5.629 10.277 -33.816 1.00 54.20 H new ATOM 0 HB ILE A 17 7.100 11.845 -32.864 1.00 21.31 H new ATOM 0 HG12 ILE A 17 9.179 10.620 -33.241 1.00 74.01 H new ATOM 0 HG13 ILE A 17 9.131 11.270 -31.615 1.00 74.01 H new ATOM 0 HG21 ILE A 17 6.958 11.530 -30.425 1.00 55.34 H new ATOM 0 HG22 ILE A 17 5.438 11.083 -31.234 1.00 55.34 H new ATOM 0 HG23 ILE A 17 6.553 9.815 -30.672 1.00 55.34 H new ATOM 0 HD11 ILE A 17 10.022 8.992 -31.622 1.00 24.31 H new ATOM 0 HD12 ILE A 17 8.481 9.056 -30.735 1.00 24.31 H new ATOM 0 HD13 ILE A 17 8.529 8.397 -32.387 1.00 24.31 H new ATOM 276 N LEU A 18 7.701 10.542 -35.426 1.00 0.25 N ATOM 277 CA LEU A 18 8.602 10.398 -36.563 1.00 44.04 C ATOM 278 C LEU A 18 9.656 11.501 -36.567 1.00 21.14 C ATOM 279 O LEU A 18 9.376 12.660 -36.873 1.00 10.13 O ATOM 280 CB LEU A 18 7.812 10.429 -37.873 1.00 32.44 C ATOM 281 CG LEU A 18 8.543 9.907 -39.110 1.00 53.34 C ATOM 282 CD1 LEU A 18 7.565 9.690 -40.255 1.00 65.22 C ATOM 283 CD2 LEU A 18 9.645 10.871 -39.524 1.00 25.01 C ATOM 0 H LEU A 18 7.244 11.452 -35.363 1.00 0.25 H new ATOM 0 HA LEU A 18 9.108 9.437 -36.473 1.00 44.04 H new ATOM 0 HB2 LEU A 18 6.902 9.844 -37.739 1.00 32.44 H new ATOM 0 HB3 LEU A 18 7.504 11.457 -38.064 1.00 32.44 H new ATOM 0 HG LEU A 18 9.000 8.949 -38.862 1.00 53.34 H new ATOM 0 HD11 LEU A 18 8.103 9.318 -41.127 1.00 65.22 H new ATOM 0 HD12 LEU A 18 6.811 8.962 -39.956 1.00 65.22 H new ATOM 0 HD13 LEU A 18 7.080 10.634 -40.503 1.00 65.22 H new ATOM 0 HD21 LEU A 18 10.155 10.484 -40.406 1.00 25.01 H new ATOM 0 HD22 LEU A 18 9.210 11.844 -39.754 1.00 25.01 H new ATOM 0 HD23 LEU A 18 10.361 10.977 -38.709 1.00 25.01 H new ATOM 295 N PRO A 19 10.899 11.134 -36.220 1.00 73.51 N ATOM 296 CA PRO A 19 12.020 12.077 -36.178 1.00 23.51 C ATOM 297 C PRO A 19 12.440 12.541 -37.568 1.00 71.25 C ATOM 298 O PRO A 19 12.385 11.776 -38.531 1.00 43.21 O ATOM 299 CB PRO A 19 13.142 11.265 -35.524 1.00 55.11 C ATOM 300 CG PRO A 19 12.806 9.845 -35.825 1.00 3.13 C ATOM 301 CD PRO A 19 11.305 9.769 -35.843 1.00 54.14 C ATOM 0 HA PRO A 19 11.765 12.989 -35.639 1.00 23.51 H new ATOM 0 HB2 PRO A 19 14.116 11.536 -35.931 1.00 55.11 H new ATOM 0 HB3 PRO A 19 13.185 11.443 -34.449 1.00 55.11 H new ATOM 0 HG2 PRO A 19 13.224 9.540 -36.785 1.00 3.13 H new ATOM 0 HG3 PRO A 19 13.221 9.177 -35.070 1.00 3.13 H new ATOM 0 HD2 PRO A 19 10.949 9.031 -36.561 1.00 54.14 H new ATOM 0 HD3 PRO A 19 10.905 9.485 -34.869 1.00 54.14 H new ATOM 309 N ALA A 20 12.859 13.798 -37.666 1.00 41.20 N ATOM 310 CA ALA A 20 13.290 14.363 -38.939 1.00 4.04 C ATOM 311 C ALA A 20 13.739 15.811 -38.773 1.00 10.03 C ATOM 312 O ALA A 20 14.935 16.102 -38.743 1.00 62.23 O ATOM 313 CB ALA A 20 12.170 14.270 -39.964 1.00 64.42 C ATOM 0 H ALA A 20 12.909 14.445 -36.879 1.00 41.20 H new ATOM 0 HA ALA A 20 14.142 13.784 -39.295 1.00 4.04 H new ATOM 0 HB1 ALA A 20 12.506 14.696 -40.910 1.00 64.42 H new ATOM 0 HB2 ALA A 20 11.899 13.225 -40.113 1.00 64.42 H new ATOM 0 HB3 ALA A 20 11.302 14.823 -39.605 1.00 64.42 H new ATOM 319 N CYS A 21 12.772 16.716 -38.665 1.00 42.31 N ATOM 320 CA CYS A 21 13.067 18.135 -38.503 1.00 71.13 C ATOM 321 C CYS A 21 12.089 18.786 -37.529 1.00 63.11 C ATOM 322 O CYS A 21 12.484 19.579 -36.675 1.00 22.33 O ATOM 323 CB CYS A 21 13.006 18.847 -39.856 1.00 4.30 C ATOM 324 SG CYS A 21 11.545 18.421 -40.856 1.00 53.21 S ATOM 0 H CYS A 21 11.777 16.492 -38.687 1.00 42.31 H new ATOM 0 HA CYS A 21 14.074 18.227 -38.096 1.00 71.13 H new ATOM 0 HB2 CYS A 21 13.017 19.924 -39.688 1.00 4.30 H new ATOM 0 HB3 CYS A 21 13.904 18.604 -40.423 1.00 4.30 H new ATOM 329 N MET A 22 10.812 18.445 -37.665 1.00 21.54 N ATOM 330 CA MET A 22 9.778 18.994 -36.795 1.00 42.55 C ATOM 331 C MET A 22 9.278 17.942 -35.811 1.00 65.54 C ATOM 332 O MET A 22 9.866 16.866 -35.686 1.00 12.40 O ATOM 333 CB MET A 22 8.610 19.525 -37.629 1.00 43.21 C ATOM 334 CG MET A 22 8.300 20.992 -37.376 1.00 32.51 C ATOM 335 SD MET A 22 6.529 21.330 -37.336 1.00 62.31 S ATOM 336 CE MET A 22 6.283 21.640 -35.589 1.00 71.23 C ATOM 0 H MET A 22 10.468 17.792 -38.369 1.00 21.54 H new ATOM 0 HA MET A 22 10.215 19.816 -36.228 1.00 42.55 H new ATOM 0 HB2 MET A 22 8.837 19.387 -38.686 1.00 43.21 H new ATOM 0 HB3 MET A 22 7.721 18.932 -37.414 1.00 43.21 H new ATOM 0 HG2 MET A 22 8.745 21.295 -36.429 1.00 32.51 H new ATOM 0 HG3 MET A 22 8.764 21.597 -38.155 1.00 32.51 H new ATOM 0 HE1 MET A 22 5.321 21.231 -35.279 1.00 71.23 H new ATOM 0 HE2 MET A 22 7.081 21.164 -35.019 1.00 71.23 H new ATOM 0 HE3 MET A 22 6.297 22.714 -35.405 1.00 71.23 H new ATOM 346 N HIS A 23 8.191 18.257 -35.115 1.00 3.41 N ATOM 347 CA HIS A 23 7.613 17.338 -34.142 1.00 33.42 C ATOM 348 C HIS A 23 6.281 16.786 -34.641 1.00 14.02 C ATOM 349 O HIS A 23 5.283 17.504 -34.696 1.00 42.44 O ATOM 350 CB HIS A 23 7.416 18.041 -32.798 1.00 72.44 C ATOM 351 CG HIS A 23 8.588 17.908 -31.875 1.00 72.33 C ATOM 352 ND1 HIS A 23 8.501 18.112 -30.514 1.00 51.34 N ATOM 353 CD2 HIS A 23 9.879 17.587 -32.124 1.00 70.04 C ATOM 354 CE1 HIS A 23 9.688 17.925 -29.967 1.00 23.24 C ATOM 355 NE2 HIS A 23 10.542 17.605 -30.922 1.00 62.41 N ATOM 0 H HIS A 23 7.692 19.142 -35.207 1.00 3.41 H new ATOM 0 HA HIS A 23 8.305 16.506 -34.010 1.00 33.42 H new ATOM 0 HB2 HIS A 23 7.222 19.099 -32.976 1.00 72.44 H new ATOM 0 HB3 HIS A 23 6.531 17.632 -32.310 1.00 72.44 H new ATOM 0 HD2 HIS A 23 10.308 17.359 -33.089 1.00 70.04 H new ATOM 0 HE1 HIS A 23 9.921 18.018 -28.917 1.00 23.24 H new ATOM 0 HE2 HIS A 23 11.533 17.404 -30.788 1.00 62.41 H new ATOM 363 N GLU A 24 6.274 15.507 -35.003 1.00 75.00 N ATOM 364 CA GLU A 24 5.064 14.861 -35.499 1.00 30.22 C ATOM 365 C GLU A 24 4.727 13.627 -34.667 1.00 75.43 C ATOM 366 O GLU A 24 5.556 13.133 -33.902 1.00 74.11 O ATOM 367 CB GLU A 24 5.234 14.469 -36.968 1.00 23.40 C ATOM 368 CG GLU A 24 6.520 13.710 -37.250 1.00 43.34 C ATOM 369 CD GLU A 24 6.918 13.761 -38.713 1.00 22.32 C ATOM 370 OE1 GLU A 24 6.232 13.122 -39.537 1.00 70.43 O ATOM 371 OE2 GLU A 24 7.916 14.440 -39.032 1.00 43.13 O ATOM 0 H GLU A 24 7.091 14.898 -34.962 1.00 75.00 H new ATOM 0 HA GLU A 24 4.242 15.571 -35.413 1.00 30.22 H new ATOM 0 HB2 GLU A 24 4.386 13.856 -37.272 1.00 23.40 H new ATOM 0 HB3 GLU A 24 5.212 15.370 -37.581 1.00 23.40 H new ATOM 0 HG2 GLU A 24 7.324 14.127 -36.644 1.00 43.34 H new ATOM 0 HG3 GLU A 24 6.398 12.670 -36.946 1.00 43.34 H new ATOM 378 N THR A 25 3.502 13.132 -34.822 1.00 40.43 N ATOM 379 CA THR A 25 3.053 11.958 -34.086 1.00 20.22 C ATOM 380 C THR A 25 1.876 11.287 -34.785 1.00 11.22 C ATOM 381 O THR A 25 1.223 11.889 -35.638 1.00 33.40 O ATOM 382 CB THR A 25 2.642 12.321 -32.646 1.00 72.44 C ATOM 383 OG1 THR A 25 3.532 13.310 -32.117 1.00 72.41 O ATOM 384 CG2 THR A 25 2.655 11.089 -31.753 1.00 51.22 C ATOM 0 H THR A 25 2.804 13.527 -35.452 1.00 40.43 H new ATOM 0 HA THR A 25 3.894 11.266 -34.052 1.00 20.22 H new ATOM 0 HB THR A 25 1.629 12.722 -32.671 1.00 72.44 H new ATOM 0 HG1 THR A 25 3.263 13.536 -31.202 1.00 72.41 H new ATOM 0 HG21 THR A 25 2.362 11.370 -30.741 1.00 51.22 H new ATOM 0 HG22 THR A 25 1.954 10.350 -32.142 1.00 51.22 H new ATOM 0 HG23 THR A 25 3.658 10.663 -31.735 1.00 51.22 H new ATOM 392 N CYS A 26 1.609 10.038 -34.418 1.00 3.32 N ATOM 393 CA CYS A 26 0.510 9.285 -35.009 1.00 41.13 C ATOM 394 C CYS A 26 0.032 8.187 -34.063 1.00 51.33 C ATOM 395 O CYS A 26 0.827 7.588 -33.339 1.00 15.10 O ATOM 396 CB CYS A 26 0.944 8.672 -36.342 1.00 75.22 C ATOM 397 SG CYS A 26 -0.372 8.624 -37.602 1.00 1.54 S ATOM 0 H CYS A 26 2.140 9.526 -33.713 1.00 3.32 H new ATOM 0 HA CYS A 26 -0.317 9.973 -35.185 1.00 41.13 H new ATOM 0 HB2 CYS A 26 1.787 9.241 -36.734 1.00 75.22 H new ATOM 0 HB3 CYS A 26 1.299 7.657 -36.164 1.00 75.22 H new ATOM 402 N SER A 27 -1.272 7.929 -34.076 1.00 40.32 N ATOM 403 CA SER A 27 -1.857 6.906 -33.217 1.00 53.44 C ATOM 404 C SER A 27 -3.292 6.601 -33.636 1.00 53.42 C ATOM 405 O SER A 27 -4.109 7.507 -33.799 1.00 71.10 O ATOM 406 CB SER A 27 -1.826 7.358 -31.756 1.00 65.00 C ATOM 407 OG SER A 27 -2.266 6.324 -30.893 1.00 20.10 O ATOM 0 H SER A 27 -1.943 8.414 -34.672 1.00 40.32 H new ATOM 0 HA SER A 27 -1.265 5.997 -33.321 1.00 53.44 H new ATOM 0 HB2 SER A 27 -0.813 7.655 -31.485 1.00 65.00 H new ATOM 0 HB3 SER A 27 -2.460 8.236 -31.630 1.00 65.00 H new ATOM 0 HG SER A 27 -1.788 5.495 -31.105 1.00 20.10 H new ATOM 413 N GLY A 28 -3.592 5.317 -33.809 1.00 43.52 N ATOM 414 CA GLY A 28 -4.928 4.914 -34.208 1.00 3.53 C ATOM 415 C GLY A 28 -5.348 3.600 -33.580 1.00 52.32 C ATOM 416 O GLY A 28 -5.917 2.739 -34.249 1.00 65.55 O ATOM 0 H GLY A 28 -2.933 4.549 -33.680 1.00 43.52 H new ATOM 0 HA2 GLY A 28 -5.638 5.691 -33.926 1.00 3.53 H new ATOM 0 HA3 GLY A 28 -4.968 4.824 -35.294 1.00 3.53 H new ATOM 420 N GLY A 29 -5.067 3.445 -32.290 1.00 4.20 N ATOM 421 CA GLY A 29 -5.425 2.223 -31.594 1.00 40.12 C ATOM 422 C GLY A 29 -6.180 2.489 -30.307 1.00 24.22 C ATOM 423 O GLY A 29 -7.288 1.988 -30.113 1.00 43.25 O ATOM 0 H GLY A 29 -4.598 4.144 -31.714 1.00 4.20 H new ATOM 0 HA2 GLY A 29 -6.036 1.602 -32.248 1.00 40.12 H new ATOM 0 HA3 GLY A 29 -4.520 1.657 -31.371 1.00 40.12 H new ATOM 427 N PHE A 30 -5.578 3.278 -29.422 1.00 74.24 N ATOM 428 CA PHE A 30 -6.200 3.607 -28.145 1.00 2.01 C ATOM 429 C PHE A 30 -6.271 5.119 -27.948 1.00 63.52 C ATOM 430 O PHE A 30 -7.240 5.639 -27.395 1.00 63.42 O ATOM 431 CB PHE A 30 -5.420 2.968 -26.994 1.00 63.43 C ATOM 432 CG PHE A 30 -5.919 3.369 -25.636 1.00 22.03 C ATOM 433 CD1 PHE A 30 -7.095 2.839 -25.131 1.00 34.10 C ATOM 434 CD2 PHE A 30 -5.211 4.276 -24.863 1.00 74.22 C ATOM 435 CE1 PHE A 30 -7.557 3.207 -23.881 1.00 51.25 C ATOM 436 CE2 PHE A 30 -5.668 4.648 -23.613 1.00 30.43 C ATOM 437 CZ PHE A 30 -6.842 4.112 -23.121 1.00 30.31 C ATOM 0 H PHE A 30 -4.661 3.701 -29.566 1.00 74.24 H new ATOM 0 HA PHE A 30 -7.215 3.211 -28.151 1.00 2.01 H new ATOM 0 HB2 PHE A 30 -5.475 1.883 -27.087 1.00 63.43 H new ATOM 0 HB3 PHE A 30 -4.369 3.243 -27.082 1.00 63.43 H new ATOM 0 HD1 PHE A 30 -7.657 2.130 -25.721 1.00 34.10 H new ATOM 0 HD2 PHE A 30 -4.291 4.697 -25.242 1.00 74.22 H new ATOM 0 HE1 PHE A 30 -8.476 2.787 -23.499 1.00 51.25 H new ATOM 0 HE2 PHE A 30 -5.108 5.357 -23.022 1.00 30.43 H new ATOM 0 HZ PHE A 30 -7.200 4.400 -22.144 1.00 30.31 H new ATOM 447 N SER A 31 -5.237 5.818 -28.404 1.00 65.25 N ATOM 448 CA SER A 31 -5.178 7.269 -28.275 1.00 53.12 C ATOM 449 C SER A 31 -5.934 7.947 -29.415 1.00 22.35 C ATOM 450 O SER A 31 -6.671 8.910 -29.200 1.00 44.21 O ATOM 451 CB SER A 31 -3.724 7.743 -28.260 1.00 2.02 C ATOM 452 OG SER A 31 -3.266 7.940 -26.933 1.00 42.53 O ATOM 0 H SER A 31 -4.428 5.403 -28.866 1.00 65.25 H new ATOM 0 HA SER A 31 -5.652 7.544 -27.333 1.00 53.12 H new ATOM 0 HB2 SER A 31 -3.093 7.008 -28.761 1.00 2.02 H new ATOM 0 HB3 SER A 31 -3.636 8.674 -28.821 1.00 2.02 H new ATOM 0 HG SER A 31 -2.334 8.241 -26.950 1.00 42.53 H new ATOM 458 N LEU A 32 -5.745 7.436 -30.626 1.00 54.44 N ATOM 459 CA LEU A 32 -6.408 7.991 -31.802 1.00 14.04 C ATOM 460 C LEU A 32 -6.085 9.473 -31.961 1.00 4.02 C ATOM 461 O LEU A 32 -6.954 10.330 -31.803 1.00 11.31 O ATOM 462 CB LEU A 32 -7.922 7.796 -31.697 1.00 11.30 C ATOM 463 CG LEU A 32 -8.750 8.329 -32.867 1.00 62.01 C ATOM 464 CD1 LEU A 32 -9.332 7.180 -33.676 1.00 2.11 C ATOM 465 CD2 LEU A 32 -9.857 9.244 -32.364 1.00 44.35 C ATOM 0 H LEU A 32 -5.139 6.639 -30.820 1.00 54.44 H new ATOM 0 HA LEU A 32 -6.039 7.462 -32.680 1.00 14.04 H new ATOM 0 HB2 LEU A 32 -8.124 6.730 -31.590 1.00 11.30 H new ATOM 0 HB3 LEU A 32 -8.268 8.279 -30.783 1.00 11.30 H new ATOM 0 HG LEU A 32 -8.094 8.909 -33.517 1.00 62.01 H new ATOM 0 HD11 LEU A 32 -9.918 7.578 -34.504 1.00 2.11 H new ATOM 0 HD12 LEU A 32 -8.522 6.564 -34.068 1.00 2.11 H new ATOM 0 HD13 LEU A 32 -9.973 6.573 -33.037 1.00 2.11 H new ATOM 0 HD21 LEU A 32 -10.436 9.614 -33.210 1.00 44.35 H new ATOM 0 HD22 LEU A 32 -10.511 8.688 -31.692 1.00 44.35 H new ATOM 0 HD23 LEU A 32 -9.418 10.086 -31.829 1.00 44.35 H new ATOM 477 N LYS A 33 -4.828 9.768 -32.277 1.00 12.22 N ATOM 478 CA LYS A 33 -4.389 11.146 -32.462 1.00 3.15 C ATOM 479 C LYS A 33 -3.213 11.217 -33.431 1.00 74.12 C ATOM 480 O LYS A 33 -2.767 10.197 -33.955 1.00 4.42 O ATOM 481 CB LYS A 33 -3.993 11.761 -31.117 1.00 44.34 C ATOM 482 CG LYS A 33 -5.083 11.675 -30.064 1.00 54.30 C ATOM 483 CD LYS A 33 -4.644 12.306 -28.753 1.00 40.45 C ATOM 484 CE LYS A 33 -4.992 13.786 -28.703 1.00 41.32 C ATOM 485 NZ LYS A 33 -4.403 14.454 -27.510 1.00 0.33 N ATOM 0 H LYS A 33 -4.096 9.071 -32.410 1.00 12.22 H new ATOM 0 HA LYS A 33 -5.219 11.712 -32.884 1.00 3.15 H new ATOM 0 HB2 LYS A 33 -3.100 11.258 -30.746 1.00 44.34 H new ATOM 0 HB3 LYS A 33 -3.729 12.807 -31.269 1.00 44.34 H new ATOM 0 HG2 LYS A 33 -5.981 12.175 -30.427 1.00 54.30 H new ATOM 0 HG3 LYS A 33 -5.346 10.631 -29.896 1.00 54.30 H new ATOM 0 HD2 LYS A 33 -5.123 11.790 -27.921 1.00 40.45 H new ATOM 0 HD3 LYS A 33 -3.568 12.180 -28.629 1.00 40.45 H new ATOM 0 HE2 LYS A 33 -4.631 14.275 -29.608 1.00 41.32 H new ATOM 0 HE3 LYS A 33 -6.075 13.904 -28.687 1.00 41.32 H new ATOM 0 HZ1 LYS A 33 -4.663 15.461 -27.512 1.00 0.33 H new ATOM 0 HZ2 LYS A 33 -4.767 14.005 -26.646 1.00 0.33 H new ATOM 0 HZ3 LYS A 33 -3.367 14.364 -27.538 1.00 0.33 H new ATOM 499 N ASN A 34 -2.717 12.427 -33.664 1.00 45.43 N ATOM 500 CA ASN A 34 -1.592 12.631 -34.570 1.00 60.54 C ATOM 501 C ASN A 34 -1.082 14.066 -34.492 1.00 13.43 C ATOM 502 O ASN A 34 -1.848 14.994 -34.232 1.00 14.53 O ATOM 503 CB ASN A 34 -2.002 12.301 -36.007 1.00 40.12 C ATOM 504 CG ASN A 34 -3.238 13.063 -36.445 1.00 33.43 C ATOM 505 OD1 ASN A 34 -3.246 14.293 -36.471 1.00 41.41 O ATOM 506 ND2 ASN A 34 -4.292 12.332 -36.790 1.00 63.44 N ATOM 0 H ASN A 34 -3.076 13.282 -33.238 1.00 45.43 H new ATOM 0 HA ASN A 34 -0.787 11.962 -34.265 1.00 60.54 H new ATOM 0 HB2 ASN A 34 -1.177 12.535 -36.680 1.00 40.12 H new ATOM 0 HB3 ASN A 34 -2.189 11.231 -36.092 1.00 40.12 H new ATOM 0 HD21 ASN A 34 -5.153 12.789 -37.092 1.00 63.44 H new ATOM 0 HD22 ASN A 34 -4.241 11.314 -36.753 1.00 63.44 H new ATOM 513 N ASP A 35 0.215 14.241 -34.718 1.00 52.05 N ATOM 514 CA ASP A 35 0.827 15.564 -34.675 1.00 63.21 C ATOM 515 C ASP A 35 1.418 15.934 -36.032 1.00 70.11 C ATOM 516 O ASP A 35 2.182 15.166 -36.619 1.00 15.50 O ATOM 517 CB ASP A 35 1.916 15.610 -33.601 1.00 54.44 C ATOM 518 CG ASP A 35 2.045 16.982 -32.968 1.00 25.51 C ATOM 519 OD1 ASP A 35 2.452 17.926 -33.676 1.00 74.04 O ATOM 520 OD2 ASP A 35 1.742 17.110 -31.763 1.00 52.01 O ATOM 0 H ASP A 35 0.863 13.483 -34.933 1.00 52.05 H new ATOM 0 HA ASP A 35 0.051 16.289 -34.427 1.00 63.21 H new ATOM 0 HB2 ASP A 35 1.691 14.876 -32.828 1.00 54.44 H new ATOM 0 HB3 ASP A 35 2.871 15.325 -34.043 1.00 54.44 H new ATOM 525 N CYS A 36 1.059 17.114 -36.526 1.00 12.11 N ATOM 526 CA CYS A 36 1.551 17.586 -37.814 1.00 42.33 C ATOM 527 C CYS A 36 3.066 17.430 -37.908 1.00 62.43 C ATOM 528 O CYS A 36 3.743 17.228 -36.900 1.00 62.11 O ATOM 529 CB CYS A 36 1.165 19.052 -38.025 1.00 70.45 C ATOM 530 SG CYS A 36 -0.055 19.315 -39.353 1.00 2.24 S ATOM 0 H CYS A 36 0.428 17.761 -36.053 1.00 12.11 H new ATOM 0 HA CYS A 36 1.091 16.980 -38.594 1.00 42.33 H new ATOM 0 HB2 CYS A 36 0.763 19.449 -37.093 1.00 70.45 H new ATOM 0 HB3 CYS A 36 2.064 19.624 -38.253 1.00 70.45 H new ATOM 0 HG CYS A 36 0.229 18.546 -40.362 1.00 2.24 H new ATOM 535 N TRP A 37 3.590 17.524 -39.125 1.00 5.02 N ATOM 536 CA TRP A 37 5.025 17.393 -39.351 1.00 5.03 C ATOM 537 C TRP A 37 5.617 18.701 -39.865 1.00 62.30 C ATOM 538 O TRP A 37 4.969 19.747 -39.820 1.00 63.11 O ATOM 539 CB TRP A 37 5.305 16.266 -40.346 1.00 60.11 C ATOM 540 CG TRP A 37 4.759 16.534 -41.716 1.00 34.12 C ATOM 541 CD1 TRP A 37 3.448 16.495 -42.097 1.00 72.23 C ATOM 542 CD2 TRP A 37 5.509 16.880 -42.885 1.00 53.20 C ATOM 543 NE1 TRP A 37 3.338 16.796 -43.433 1.00 70.15 N ATOM 544 CE2 TRP A 37 4.588 17.037 -43.939 1.00 52.14 C ATOM 545 CE3 TRP A 37 6.868 17.075 -43.144 1.00 21.04 C ATOM 546 CZ2 TRP A 37 4.985 17.378 -45.230 1.00 0.14 C ATOM 547 CZ3 TRP A 37 7.261 17.413 -44.425 1.00 33.03 C ATOM 548 CH2 TRP A 37 6.322 17.563 -45.454 1.00 62.44 C ATOM 0 H TRP A 37 3.043 17.690 -39.970 1.00 5.02 H new ATOM 0 HA TRP A 37 5.497 17.152 -38.398 1.00 5.03 H new ATOM 0 HB2 TRP A 37 6.382 16.112 -40.416 1.00 60.11 H new ATOM 0 HB3 TRP A 37 4.874 15.340 -39.966 1.00 60.11 H new ATOM 0 HD1 TRP A 37 2.620 16.262 -41.444 1.00 72.23 H new ATOM 0 HE1 TRP A 37 2.467 16.834 -43.962 1.00 70.15 H new ATOM 0 HE3 TRP A 37 7.599 16.964 -42.357 1.00 21.04 H new ATOM 0 HZ2 TRP A 37 4.263 17.492 -46.025 1.00 0.14 H new ATOM 0 HZ3 TRP A 37 8.309 17.564 -44.636 1.00 33.03 H new ATOM 0 HH2 TRP A 37 6.660 17.830 -46.444 1.00 62.44 H new ATOM 559 N CYS A 38 6.851 18.635 -40.354 1.00 20.01 N ATOM 560 CA CYS A 38 7.531 19.814 -40.877 1.00 74.10 C ATOM 561 C CYS A 38 6.608 20.612 -41.794 1.00 33.23 C ATOM 562 O CYS A 38 5.938 20.050 -42.661 1.00 31.34 O ATOM 563 CB CYS A 38 8.794 19.405 -41.637 1.00 74.14 C ATOM 564 SG CYS A 38 10.336 20.068 -40.929 1.00 35.42 S ATOM 0 H CYS A 38 7.401 17.777 -40.399 1.00 20.01 H new ATOM 0 HA CYS A 38 7.811 20.445 -40.034 1.00 74.10 H new ATOM 0 HB2 CYS A 38 8.855 18.317 -41.659 1.00 74.14 H new ATOM 0 HB3 CYS A 38 8.708 19.740 -42.671 1.00 74.14 H new ATOM 569 N CYS A 39 6.578 21.926 -41.596 1.00 61.50 N ATOM 570 CA CYS A 39 5.738 22.802 -42.403 1.00 44.14 C ATOM 571 C CYS A 39 6.325 22.982 -43.801 1.00 21.05 C ATOM 572 O CYS A 39 7.237 22.257 -44.201 1.00 52.12 O ATOM 573 CB CYS A 39 5.585 24.164 -41.723 1.00 51.15 C ATOM 574 SG CYS A 39 3.860 24.732 -41.578 1.00 1.13 S ATOM 0 H CYS A 39 7.126 22.407 -40.883 1.00 61.50 H new ATOM 0 HA CYS A 39 4.756 22.338 -42.497 1.00 44.14 H new ATOM 0 HB2 CYS A 39 6.024 24.112 -40.727 1.00 51.15 H new ATOM 0 HB3 CYS A 39 6.154 24.905 -42.285 1.00 51.15 H new ATOM 0 HG CYS A 39 3.838 25.926 -41.065 1.00 1.13 H new ATOM 579 N LEU A 40 5.796 23.953 -44.537 1.00 65.44 N ATOM 580 CA LEU A 40 6.267 24.229 -45.890 1.00 43.12 C ATOM 581 C LEU A 40 7.784 24.385 -45.918 1.00 4.25 C ATOM 582 O LEU A 40 8.503 23.489 -46.361 1.00 54.12 O ATOM 583 CB LEU A 40 5.603 25.495 -46.434 1.00 0.32 C ATOM 584 CG LEU A 40 6.074 25.962 -47.811 1.00 44.14 C ATOM 585 CD1 LEU A 40 5.064 25.576 -48.880 1.00 61.25 C ATOM 586 CD2 LEU A 40 6.308 27.466 -47.814 1.00 72.20 C ATOM 0 H LEU A 40 5.041 24.562 -44.220 1.00 65.44 H new ATOM 0 HA LEU A 40 5.996 23.383 -46.522 1.00 43.12 H new ATOM 0 HB2 LEU A 40 4.527 25.326 -46.478 1.00 0.32 H new ATOM 0 HB3 LEU A 40 5.770 26.303 -45.722 1.00 0.32 H new ATOM 0 HG LEU A 40 7.019 25.467 -48.037 1.00 44.14 H new ATOM 0 HD11 LEU A 40 5.416 25.917 -49.854 1.00 61.25 H new ATOM 0 HD12 LEU A 40 4.947 24.492 -48.895 1.00 61.25 H new ATOM 0 HD13 LEU A 40 4.104 26.042 -48.658 1.00 61.25 H new ATOM 0 HD21 LEU A 40 6.643 27.780 -48.803 1.00 72.20 H new ATOM 0 HD22 LEU A 40 5.379 27.979 -47.565 1.00 72.20 H new ATOM 0 HD23 LEU A 40 7.070 27.717 -47.076 1.00 72.20 H new ATOM 598 N ARG A 41 8.265 25.528 -45.439 1.00 22.15 N ATOM 599 CA ARG A 41 9.697 25.801 -45.407 1.00 70.21 C ATOM 600 C ARG A 41 10.047 26.734 -44.252 1.00 3.21 C ATOM 601 O ARG A 41 9.616 27.888 -44.219 1.00 22.52 O ATOM 602 CB ARG A 41 10.149 26.419 -46.731 1.00 61.04 C ATOM 603 CG ARG A 41 11.533 27.044 -46.670 1.00 40.45 C ATOM 604 CD ARG A 41 11.456 28.560 -46.570 1.00 74.24 C ATOM 605 NE ARG A 41 12.513 29.214 -47.336 1.00 63.22 N ATOM 606 CZ ARG A 41 12.680 30.531 -47.382 1.00 64.23 C ATOM 607 NH1 ARG A 41 11.864 31.330 -46.710 1.00 34.10 N ATOM 608 NH2 ARG A 41 13.667 31.051 -48.102 1.00 34.22 N ATOM 0 H ARG A 41 7.684 26.280 -45.068 1.00 22.15 H new ATOM 0 HA ARG A 41 10.219 24.856 -45.258 1.00 70.21 H new ATOM 0 HB2 ARG A 41 10.141 25.650 -47.503 1.00 61.04 H new ATOM 0 HB3 ARG A 41 9.429 27.180 -47.032 1.00 61.04 H new ATOM 0 HG2 ARG A 41 12.074 26.649 -45.811 1.00 40.45 H new ATOM 0 HG3 ARG A 41 12.099 26.765 -47.559 1.00 40.45 H new ATOM 0 HD2 ARG A 41 10.485 28.898 -46.931 1.00 74.24 H new ATOM 0 HD3 ARG A 41 11.529 28.858 -45.524 1.00 74.24 H new ATOM 0 HE ARG A 41 13.159 28.627 -47.865 1.00 63.22 H new ATOM 0 HH11 ARG A 41 11.105 30.934 -46.155 1.00 34.10 H new ATOM 0 HH12 ARG A 41 11.995 32.341 -46.747 1.00 34.10 H new ATOM 0 HH21 ARG A 41 14.297 30.439 -48.620 1.00 34.22 H new ATOM 0 HH22 ARG A 41 13.795 32.062 -48.137 1.00 34.22 H new ATOM 622 N LEU A 42 10.831 26.228 -43.306 1.00 51.01 N ATOM 623 CA LEU A 42 11.239 27.016 -42.148 1.00 62.22 C ATOM 624 C LEU A 42 12.536 26.477 -41.553 1.00 32.45 C ATOM 625 O LEU A 42 13.158 25.572 -42.109 1.00 23.43 O ATOM 626 CB LEU A 42 10.136 27.010 -41.088 1.00 45.11 C ATOM 627 CG LEU A 42 9.657 25.634 -40.626 1.00 30.31 C ATOM 628 CD1 LEU A 42 9.069 25.716 -39.226 1.00 24.45 C ATOM 629 CD2 LEU A 42 8.636 25.069 -41.602 1.00 73.05 C ATOM 0 H LEU A 42 11.197 25.276 -43.318 1.00 51.01 H new ATOM 0 HA LEU A 42 11.411 28.041 -42.478 1.00 62.22 H new ATOM 0 HB2 LEU A 42 10.494 27.559 -40.217 1.00 45.11 H new ATOM 0 HB3 LEU A 42 9.279 27.558 -41.481 1.00 45.11 H new ATOM 0 HG LEU A 42 10.515 24.962 -40.599 1.00 30.31 H new ATOM 0 HD11 LEU A 42 8.733 24.727 -38.914 1.00 24.45 H new ATOM 0 HD12 LEU A 42 9.829 26.077 -38.533 1.00 24.45 H new ATOM 0 HD13 LEU A 42 8.223 26.403 -39.226 1.00 24.45 H new ATOM 0 HD21 LEU A 42 8.306 24.089 -41.257 1.00 73.05 H new ATOM 0 HD22 LEU A 42 7.779 25.740 -41.661 1.00 73.05 H new ATOM 0 HD23 LEU A 42 9.090 24.972 -42.588 1.00 73.05 H new ATOM 641 N LYS A 43 12.937 27.037 -40.416 1.00 72.15 N ATOM 642 CA LYS A 43 14.157 26.611 -39.742 1.00 3.12 C ATOM 643 C LYS A 43 13.865 26.183 -38.307 1.00 72.54 C ATOM 644 O LYS A 43 14.753 25.715 -37.594 1.00 45.41 O ATOM 645 CB LYS A 43 15.189 27.742 -39.747 1.00 74.34 C ATOM 646 CG LYS A 43 15.420 28.347 -41.121 1.00 41.00 C ATOM 647 CD LYS A 43 16.238 29.625 -41.037 1.00 23.43 C ATOM 648 CE LYS A 43 17.298 29.681 -42.126 1.00 63.40 C ATOM 649 NZ LYS A 43 18.662 29.419 -41.587 1.00 73.12 N ATOM 0 H LYS A 43 12.434 27.787 -39.942 1.00 72.15 H new ATOM 0 HA LYS A 43 14.561 25.756 -40.283 1.00 3.12 H new ATOM 0 HB2 LYS A 43 14.860 28.526 -39.064 1.00 74.34 H new ATOM 0 HB3 LYS A 43 16.135 27.361 -39.363 1.00 74.34 H new ATOM 0 HG2 LYS A 43 15.935 27.625 -41.755 1.00 41.00 H new ATOM 0 HG3 LYS A 43 14.460 28.558 -41.593 1.00 41.00 H new ATOM 0 HD2 LYS A 43 15.577 30.487 -41.126 1.00 23.43 H new ATOM 0 HD3 LYS A 43 16.716 29.689 -40.059 1.00 23.43 H new ATOM 0 HE2 LYS A 43 17.065 28.947 -42.897 1.00 63.40 H new ATOM 0 HE3 LYS A 43 17.278 30.661 -42.602 1.00 63.40 H new ATOM 0 HZ1 LYS A 43 19.356 29.466 -42.360 1.00 73.12 H new ATOM 0 HZ2 LYS A 43 18.895 30.134 -40.869 1.00 73.12 H new ATOM 0 HZ3 LYS A 43 18.689 28.473 -41.155 1.00 73.12 H new ATOM 663 N THR A 44 12.613 26.343 -37.890 1.00 72.11 N ATOM 664 CA THR A 44 12.203 25.972 -36.541 1.00 43.53 C ATOM 665 C THR A 44 10.730 26.286 -36.308 1.00 51.33 C ATOM 666 O THR A 44 10.026 25.542 -35.625 1.00 3.32 O ATOM 667 CB THR A 44 13.046 26.702 -35.478 1.00 62.21 C ATOM 668 OG1 THR A 44 12.378 26.663 -34.212 1.00 62.11 O ATOM 669 CG2 THR A 44 13.294 28.147 -35.882 1.00 41.22 C ATOM 0 H THR A 44 11.865 26.727 -38.467 1.00 72.11 H new ATOM 0 HA THR A 44 12.362 24.898 -36.446 1.00 43.53 H new ATOM 0 HB THR A 44 14.007 26.194 -35.397 1.00 62.21 H new ATOM 0 HG1 THR A 44 13.042 26.668 -33.491 1.00 62.11 H new ATOM 0 HG21 THR A 44 13.891 28.642 -35.116 1.00 41.22 H new ATOM 0 HG22 THR A 44 13.829 28.173 -36.832 1.00 41.22 H new ATOM 0 HG23 THR A 44 12.340 28.664 -35.988 1.00 41.22 H new ATOM 677 N LYS A 45 10.268 27.392 -36.881 1.00 54.42 N ATOM 678 CA LYS A 45 8.876 27.805 -36.738 1.00 64.31 C ATOM 679 C LYS A 45 8.578 29.023 -37.606 1.00 51.01 C ATOM 680 O LYS A 45 7.468 29.175 -38.116 1.00 45.23 O ATOM 681 CB LYS A 45 8.565 28.120 -35.273 1.00 55.14 C ATOM 682 CG LYS A 45 9.106 29.462 -34.812 1.00 12.04 C ATOM 683 CD LYS A 45 10.622 29.447 -34.711 1.00 51.01 C ATOM 684 CE LYS A 45 11.099 30.039 -33.394 1.00 20.54 C ATOM 685 NZ LYS A 45 11.570 28.986 -32.451 1.00 74.11 N ATOM 0 H LYS A 45 10.837 28.019 -37.449 1.00 54.42 H new ATOM 0 HA LYS A 45 8.242 26.982 -37.069 1.00 64.31 H new ATOM 0 HB2 LYS A 45 7.485 28.104 -35.128 1.00 55.14 H new ATOM 0 HB3 LYS A 45 8.983 27.334 -34.644 1.00 55.14 H new ATOM 0 HG2 LYS A 45 8.795 30.240 -35.509 1.00 12.04 H new ATOM 0 HG3 LYS A 45 8.678 29.714 -33.842 1.00 12.04 H new ATOM 0 HD2 LYS A 45 10.984 28.423 -34.803 1.00 51.01 H new ATOM 0 HD3 LYS A 45 11.049 30.011 -35.540 1.00 51.01 H new ATOM 0 HE2 LYS A 45 11.908 30.744 -33.585 1.00 20.54 H new ATOM 0 HE3 LYS A 45 10.287 30.602 -32.934 1.00 20.54 H new ATOM 0 HZ1 LYS A 45 12.411 29.326 -31.943 1.00 74.11 H new ATOM 0 HZ2 LYS A 45 10.817 28.770 -31.767 1.00 74.11 H new ATOM 0 HZ3 LYS A 45 11.811 28.126 -32.984 1.00 74.11 H new ATOM 699 N GLN A 46 9.575 29.886 -37.770 1.00 4.13 N ATOM 700 CA GLN A 46 9.418 31.090 -38.577 1.00 44.11 C ATOM 701 C GLN A 46 9.302 30.742 -40.057 1.00 64.43 C ATOM 702 O GLN A 46 9.022 29.598 -40.416 1.00 11.34 O ATOM 703 CB GLN A 46 10.600 32.036 -38.355 1.00 15.33 C ATOM 704 CG GLN A 46 11.902 31.537 -38.960 1.00 35.32 C ATOM 705 CD GLN A 46 13.060 32.484 -38.717 1.00 15.53 C ATOM 706 OE1 GLN A 46 14.017 32.148 -38.019 1.00 35.41 O ATOM 707 NE2 GLN A 46 12.979 33.678 -39.293 1.00 12.23 N ATOM 0 H GLN A 46 10.500 29.774 -37.355 1.00 4.13 H new ATOM 0 HA GLN A 46 8.499 31.588 -38.266 1.00 44.11 H new ATOM 0 HB2 GLN A 46 10.360 33.010 -38.782 1.00 15.33 H new ATOM 0 HB3 GLN A 46 10.740 32.184 -37.284 1.00 15.33 H new ATOM 0 HG2 GLN A 46 12.142 30.560 -38.540 1.00 35.32 H new ATOM 0 HG3 GLN A 46 11.770 31.399 -40.033 1.00 35.32 H new ATOM 0 HE21 GLN A 46 12.167 33.915 -39.864 1.00 12.23 H new ATOM 0 HE22 GLN A 46 13.728 34.358 -39.165 1.00 12.23 H new ATOM 716 N ALA A 47 9.520 31.735 -40.913 1.00 11.22 N ATOM 717 CA ALA A 47 9.441 31.533 -42.354 1.00 43.12 C ATOM 718 C ALA A 47 7.998 31.326 -42.802 1.00 3.03 C ATOM 719 O ALA A 47 7.062 31.568 -42.040 1.00 74.32 O ATOM 720 CB ALA A 47 10.300 30.347 -42.768 1.00 53.14 C ATOM 0 H ALA A 47 9.753 32.688 -40.633 1.00 11.22 H new ATOM 0 HA ALA A 47 9.820 32.431 -42.843 1.00 43.12 H new ATOM 0 HB1 ALA A 47 10.232 30.207 -43.847 1.00 53.14 H new ATOM 0 HB2 ALA A 47 11.337 30.535 -42.491 1.00 53.14 H new ATOM 0 HB3 ALA A 47 9.947 29.448 -42.263 1.00 53.14 H new ATOM 726 N ARG A 48 7.827 30.878 -44.041 1.00 55.21 N ATOM 727 CA ARG A 48 6.497 30.641 -44.590 1.00 60.32 C ATOM 728 C ARG A 48 6.035 29.216 -44.299 1.00 62.23 C ATOM 729 O ARG A 48 6.841 28.285 -44.265 1.00 51.23 O ATOM 730 CB ARG A 48 6.493 30.891 -46.099 1.00 50.53 C ATOM 731 CG ARG A 48 7.016 32.264 -46.490 1.00 41.01 C ATOM 732 CD ARG A 48 5.917 33.314 -46.441 1.00 70.21 C ATOM 733 NE ARG A 48 6.297 34.537 -47.143 1.00 34.12 N ATOM 734 CZ ARG A 48 5.432 35.483 -47.490 1.00 52.44 C ATOM 735 NH1 ARG A 48 4.145 35.348 -47.202 1.00 53.23 N ATOM 736 NH2 ARG A 48 5.854 36.568 -48.127 1.00 41.32 N ATOM 0 H ARG A 48 8.592 30.672 -44.684 1.00 55.21 H new ATOM 0 HA ARG A 48 5.805 31.334 -44.112 1.00 60.32 H new ATOM 0 HB2 ARG A 48 7.100 30.128 -46.587 1.00 50.53 H new ATOM 0 HB3 ARG A 48 5.476 30.778 -46.475 1.00 50.53 H new ATOM 0 HG2 ARG A 48 7.825 32.551 -45.818 1.00 41.01 H new ATOM 0 HG3 ARG A 48 7.436 32.222 -47.495 1.00 41.01 H new ATOM 0 HD2 ARG A 48 5.008 32.908 -46.885 1.00 70.21 H new ATOM 0 HD3 ARG A 48 5.686 33.549 -45.402 1.00 70.21 H new ATOM 0 HE ARG A 48 7.280 34.672 -47.380 1.00 34.12 H new ATOM 0 HH11 ARG A 48 3.817 34.516 -46.712 1.00 53.23 H new ATOM 0 HH12 ARG A 48 3.483 36.077 -47.470 1.00 53.23 H new ATOM 0 HH21 ARG A 48 6.843 36.676 -48.350 1.00 41.32 H new ATOM 0 HH22 ARG A 48 5.189 37.294 -48.393 1.00 41.32 H new ATOM 750 N CYS A 49 4.733 29.053 -44.090 1.00 22.45 N ATOM 751 CA CYS A 49 4.163 27.742 -43.800 1.00 41.34 C ATOM 752 C CYS A 49 3.126 27.356 -44.851 1.00 41.44 C ATOM 753 O CYS A 49 2.848 28.122 -45.774 1.00 11.40 O ATOM 754 CB CYS A 49 3.523 27.737 -42.411 1.00 23.33 C ATOM 755 SG CYS A 49 3.812 26.207 -41.465 1.00 62.53 S ATOM 0 H CYS A 49 4.052 29.812 -44.116 1.00 22.45 H new ATOM 0 HA CYS A 49 4.970 27.009 -43.824 1.00 41.34 H new ATOM 0 HB2 CYS A 49 3.910 28.582 -41.841 1.00 23.33 H new ATOM 0 HB3 CYS A 49 2.449 27.889 -42.517 1.00 23.33 H new ATOM 0 HG CYS A 49 3.853 25.194 -42.279 1.00 62.53 H new ATOM 760 N TRP A 50 2.558 26.165 -44.704 1.00 64.01 N ATOM 761 CA TRP A 50 1.552 25.677 -45.640 1.00 52.23 C ATOM 762 C TRP A 50 0.147 26.022 -45.158 1.00 42.41 C ATOM 763 O TRP A 50 -0.260 25.628 -44.065 1.00 64.52 O ATOM 764 CB TRP A 50 1.685 24.164 -45.821 1.00 52.35 C ATOM 765 CG TRP A 50 1.455 23.713 -47.232 1.00 65.50 C ATOM 766 CD1 TRP A 50 0.330 23.905 -47.982 1.00 21.15 C ATOM 767 CD2 TRP A 50 2.373 22.991 -48.061 1.00 4.22 C ATOM 768 NE1 TRP A 50 0.493 23.347 -49.226 1.00 63.54 N ATOM 769 CE2 TRP A 50 1.738 22.781 -49.300 1.00 65.45 C ATOM 770 CE3 TRP A 50 3.670 22.505 -47.877 1.00 64.53 C ATOM 771 CZ2 TRP A 50 2.357 22.104 -50.348 1.00 24.20 C ATOM 772 CZ3 TRP A 50 4.283 21.833 -48.918 1.00 22.32 C ATOM 773 CH2 TRP A 50 3.627 21.638 -50.141 1.00 23.04 C ATOM 0 H TRP A 50 2.777 25.519 -43.945 1.00 64.01 H new ATOM 0 HA TRP A 50 1.717 26.167 -46.600 1.00 52.23 H new ATOM 0 HB2 TRP A 50 2.681 23.854 -45.506 1.00 52.35 H new ATOM 0 HB3 TRP A 50 0.972 23.663 -45.166 1.00 52.35 H new ATOM 0 HD1 TRP A 50 -0.558 24.420 -47.646 1.00 21.15 H new ATOM 0 HE1 TRP A 50 -0.201 23.353 -49.974 1.00 63.54 H new ATOM 0 HE3 TRP A 50 4.184 22.652 -46.939 1.00 64.53 H new ATOM 0 HZ2 TRP A 50 1.853 21.952 -51.291 1.00 24.20 H new ATOM 0 HZ3 TRP A 50 5.285 21.452 -48.787 1.00 22.32 H new ATOM 0 HH2 TRP A 50 4.133 21.110 -50.935 1.00 23.04 H new ATOM 784 N LYS A 51 -0.591 26.762 -45.979 1.00 63.54 N ATOM 785 CA LYS A 51 -1.951 27.159 -45.638 1.00 13.12 C ATOM 786 C LYS A 51 -2.946 26.061 -46.000 1.00 52.11 C ATOM 787 O LYS A 51 -3.368 25.949 -47.151 1.00 23.23 O ATOM 788 CB LYS A 51 -2.322 28.457 -46.360 1.00 20.51 C ATOM 789 CG LYS A 51 -2.312 29.679 -45.458 1.00 73.31 C ATOM 790 CD LYS A 51 -1.312 30.717 -45.937 1.00 52.44 C ATOM 791 CE LYS A 51 -0.848 31.611 -44.798 1.00 5.22 C ATOM 792 NZ LYS A 51 -0.070 32.781 -45.292 1.00 62.01 N ATOM 0 H LYS A 51 -0.269 27.099 -46.886 1.00 63.54 H new ATOM 0 HA LYS A 51 -1.995 27.324 -44.561 1.00 13.12 H new ATOM 0 HB2 LYS A 51 -1.625 28.617 -47.183 1.00 20.51 H new ATOM 0 HB3 LYS A 51 -3.314 28.348 -46.799 1.00 20.51 H new ATOM 0 HG2 LYS A 51 -3.309 30.119 -45.429 1.00 73.31 H new ATOM 0 HG3 LYS A 51 -2.066 29.379 -44.439 1.00 73.31 H new ATOM 0 HD2 LYS A 51 -0.452 30.217 -46.382 1.00 52.44 H new ATOM 0 HD3 LYS A 51 -1.765 31.327 -46.718 1.00 52.44 H new ATOM 0 HE2 LYS A 51 -1.714 31.962 -44.236 1.00 5.22 H new ATOM 0 HE3 LYS A 51 -0.234 31.032 -44.109 1.00 5.22 H new ATOM 0 HZ1 LYS A 51 0.228 33.365 -44.485 1.00 62.01 H new ATOM 0 HZ2 LYS A 51 0.770 32.447 -45.807 1.00 62.01 H new ATOM 0 HZ3 LYS A 51 -0.664 33.349 -45.930 1.00 62.01 H new ATOM 806 N GLU A 52 -3.318 25.255 -45.010 1.00 42.23 N ATOM 807 CA GLU A 52 -4.264 24.167 -45.227 1.00 20.04 C ATOM 808 C GLU A 52 -5.628 24.707 -45.645 1.00 52.44 C ATOM 809 O GLU A 52 -6.477 23.966 -46.141 1.00 51.23 O ATOM 810 CB GLU A 52 -4.405 23.324 -43.957 1.00 42.13 C ATOM 811 CG GLU A 52 -3.076 22.971 -43.311 1.00 21.40 C ATOM 812 CD GLU A 52 -2.901 23.612 -41.948 1.00 41.22 C ATOM 813 OE1 GLU A 52 -2.412 24.759 -41.890 1.00 45.44 O ATOM 814 OE2 GLU A 52 -3.254 22.966 -40.939 1.00 52.23 O ATOM 0 H GLU A 52 -2.979 25.335 -44.051 1.00 42.23 H new ATOM 0 HA GLU A 52 -3.879 23.540 -46.031 1.00 20.04 H new ATOM 0 HB2 GLU A 52 -5.017 23.867 -43.237 1.00 42.13 H new ATOM 0 HB3 GLU A 52 -4.938 22.404 -44.199 1.00 42.13 H new ATOM 0 HG2 GLU A 52 -3.001 21.888 -43.211 1.00 21.40 H new ATOM 0 HG3 GLU A 52 -2.263 23.288 -43.964 1.00 21.40 H new ATOM 821 N LYS A 53 -5.832 26.004 -45.442 1.00 12.44 N ATOM 822 CA LYS A 53 -7.092 26.647 -45.798 1.00 22.44 C ATOM 823 C LYS A 53 -7.200 26.833 -47.308 1.00 22.13 C ATOM 824 O LYS A 53 -8.272 26.662 -47.888 1.00 4.35 O ATOM 825 CB LYS A 53 -7.214 28.001 -45.096 1.00 44.20 C ATOM 826 CG LYS A 53 -6.109 28.977 -45.462 1.00 2.22 C ATOM 827 CD LYS A 53 -6.059 30.150 -44.497 1.00 53.45 C ATOM 828 CE LYS A 53 -6.375 31.462 -45.199 1.00 51.43 C ATOM 829 NZ LYS A 53 -6.963 32.463 -44.266 1.00 42.12 N ATOM 0 H LYS A 53 -5.140 26.632 -45.032 1.00 12.44 H new ATOM 0 HA LYS A 53 -7.906 26.001 -45.470 1.00 22.44 H new ATOM 0 HB2 LYS A 53 -8.177 28.445 -45.346 1.00 44.20 H new ATOM 0 HB3 LYS A 53 -7.206 27.844 -44.017 1.00 44.20 H new ATOM 0 HG2 LYS A 53 -5.149 28.460 -45.458 1.00 2.22 H new ATOM 0 HG3 LYS A 53 -6.268 29.345 -46.476 1.00 2.22 H new ATOM 0 HD2 LYS A 53 -6.771 29.988 -43.688 1.00 53.45 H new ATOM 0 HD3 LYS A 53 -5.070 30.208 -44.043 1.00 53.45 H new ATOM 0 HE2 LYS A 53 -5.464 31.867 -45.639 1.00 51.43 H new ATOM 0 HE3 LYS A 53 -7.070 31.277 -46.018 1.00 51.43 H new ATOM 0 HZ1 LYS A 53 -7.164 33.343 -44.783 1.00 42.12 H new ATOM 0 HZ2 LYS A 53 -7.846 32.087 -43.865 1.00 42.12 H new ATOM 0 HZ3 LYS A 53 -6.290 32.659 -43.498 1.00 42.12 H new ATOM 843 N GLU A 54 -6.083 27.182 -47.938 1.00 4.22 N ATOM 844 CA GLU A 54 -6.053 27.390 -49.381 1.00 14.42 C ATOM 845 C GLU A 54 -5.578 26.133 -50.102 1.00 62.25 C ATOM 846 O GLU A 54 -6.116 25.761 -51.145 1.00 72.23 O ATOM 847 CB GLU A 54 -5.141 28.568 -49.730 1.00 50.01 C ATOM 848 CG GLU A 54 -5.781 29.925 -49.491 1.00 4.42 C ATOM 849 CD GLU A 54 -6.082 30.664 -50.780 1.00 64.05 C ATOM 850 OE1 GLU A 54 -7.101 30.340 -51.425 1.00 32.30 O ATOM 851 OE2 GLU A 54 -5.298 31.565 -51.145 1.00 54.34 O ATOM 0 H GLU A 54 -5.187 27.327 -47.472 1.00 4.22 H new ATOM 0 HA GLU A 54 -7.067 27.615 -49.711 1.00 14.42 H new ATOM 0 HB2 GLU A 54 -4.228 28.497 -49.139 1.00 50.01 H new ATOM 0 HB3 GLU A 54 -4.849 28.493 -50.778 1.00 50.01 H new ATOM 0 HG2 GLU A 54 -6.705 29.792 -48.928 1.00 4.42 H new ATOM 0 HG3 GLU A 54 -5.117 30.532 -48.875 1.00 4.42 H new ATOM 858 N PHE A 55 -4.565 25.482 -49.540 1.00 4.41 N ATOM 859 CA PHE A 55 -4.014 24.267 -50.130 1.00 14.45 C ATOM 860 C PHE A 55 -4.372 23.045 -49.289 1.00 61.13 C ATOM 861 O PHE A 55 -3.900 22.873 -48.165 1.00 42.13 O ATOM 862 CB PHE A 55 -2.494 24.382 -50.262 1.00 14.51 C ATOM 863 CG PHE A 55 -2.036 25.721 -50.766 1.00 12.23 C ATOM 864 CD1 PHE A 55 -2.195 26.066 -52.098 1.00 41.03 C ATOM 865 CD2 PHE A 55 -1.447 26.635 -49.907 1.00 13.03 C ATOM 866 CE1 PHE A 55 -1.773 27.297 -52.565 1.00 34.15 C ATOM 867 CE2 PHE A 55 -1.024 27.868 -50.367 1.00 72.32 C ATOM 868 CZ PHE A 55 -1.188 28.199 -51.698 1.00 15.33 C ATOM 0 H PHE A 55 -4.109 25.775 -48.676 1.00 4.41 H new ATOM 0 HA PHE A 55 -4.449 24.145 -51.122 1.00 14.45 H new ATOM 0 HB2 PHE A 55 -2.038 24.193 -49.290 1.00 14.51 H new ATOM 0 HB3 PHE A 55 -2.136 23.606 -50.939 1.00 14.51 H new ATOM 0 HD1 PHE A 55 -2.654 25.365 -52.780 1.00 41.03 H new ATOM 0 HD2 PHE A 55 -1.317 26.381 -48.865 1.00 13.03 H new ATOM 0 HE1 PHE A 55 -1.901 27.553 -53.606 1.00 34.15 H new ATOM 0 HE2 PHE A 55 -0.566 28.571 -49.687 1.00 72.32 H new ATOM 0 HZ PHE A 55 -0.859 29.162 -52.060 1.00 15.33 H new ATOM 878 N PRO A 56 -5.227 22.175 -49.846 1.00 72.51 N ATOM 879 CA PRO A 56 -5.668 20.953 -49.166 1.00 62.23 C ATOM 880 C PRO A 56 -4.549 19.924 -49.041 1.00 35.15 C ATOM 881 O PRO A 56 -4.620 19.015 -48.215 1.00 21.22 O ATOM 882 CB PRO A 56 -6.781 20.424 -50.074 1.00 34.03 C ATOM 883 CG PRO A 56 -6.465 20.974 -51.421 1.00 52.25 C ATOM 884 CD PRO A 56 -5.829 22.316 -51.182 1.00 75.23 C ATOM 0 HA PRO A 56 -5.990 21.149 -48.143 1.00 62.23 H new ATOM 0 HB2 PRO A 56 -6.798 19.334 -50.086 1.00 34.03 H new ATOM 0 HB3 PRO A 56 -7.762 20.754 -49.732 1.00 34.03 H new ATOM 0 HG2 PRO A 56 -5.789 20.313 -51.964 1.00 52.25 H new ATOM 0 HG3 PRO A 56 -7.368 21.072 -52.024 1.00 52.25 H new ATOM 0 HD2 PRO A 56 -5.079 22.546 -51.939 1.00 75.23 H new ATOM 0 HD3 PRO A 56 -6.565 23.120 -51.208 1.00 75.23 H new ATOM 892 N ASN A 57 -3.518 20.074 -49.865 1.00 1.20 N ATOM 893 CA ASN A 57 -2.384 19.157 -49.846 1.00 0.15 C ATOM 894 C ASN A 57 -1.778 19.071 -48.448 1.00 42.21 C ATOM 895 O ASN A 57 -1.462 17.985 -47.963 1.00 53.11 O ATOM 896 CB ASN A 57 -1.320 19.608 -50.848 1.00 61.54 C ATOM 897 CG ASN A 57 -0.610 18.438 -51.503 1.00 33.11 C ATOM 898 OD1 ASN A 57 -0.480 18.382 -52.726 1.00 4.32 O ATOM 899 ND2 ASN A 57 -0.148 17.496 -50.689 1.00 33.11 N ATOM 0 H ASN A 57 -3.444 20.822 -50.555 1.00 1.20 H new ATOM 0 HA ASN A 57 -2.744 18.168 -50.129 1.00 0.15 H new ATOM 0 HB2 ASN A 57 -1.787 20.223 -51.617 1.00 61.54 H new ATOM 0 HB3 ASN A 57 -0.588 20.235 -50.339 1.00 61.54 H new ATOM 0 HD21 ASN A 57 0.337 16.685 -51.072 1.00 33.11 H new ATOM 0 HD22 ASN A 57 -0.278 17.584 -49.681 1.00 33.11 H new ATOM 906 N ALA A 58 -1.619 20.224 -47.806 1.00 63.02 N ATOM 907 CA ALA A 58 -1.053 20.279 -46.464 1.00 12.11 C ATOM 908 C ALA A 58 -1.895 19.474 -45.480 1.00 12.11 C ATOM 909 O ALA A 58 -1.363 18.759 -44.631 1.00 22.21 O ATOM 910 CB ALA A 58 -0.933 21.723 -46.001 1.00 13.44 C ATOM 0 H ALA A 58 -1.874 21.132 -48.194 1.00 63.02 H new ATOM 0 HA ALA A 58 -0.058 19.836 -46.497 1.00 12.11 H new ATOM 0 HB1 ALA A 58 -0.509 21.749 -44.997 1.00 13.44 H new ATOM 0 HB2 ALA A 58 -0.284 22.271 -46.684 1.00 13.44 H new ATOM 0 HB3 ALA A 58 -1.920 22.185 -45.990 1.00 13.44 H new ATOM 916 N LYS A 59 -3.213 19.596 -45.599 1.00 30.53 N ATOM 917 CA LYS A 59 -4.130 18.879 -44.720 1.00 71.03 C ATOM 918 C LYS A 59 -3.998 17.371 -44.909 1.00 52.24 C ATOM 919 O LYS A 59 -3.948 16.617 -43.938 1.00 43.41 O ATOM 920 CB LYS A 59 -5.572 19.313 -44.991 1.00 53.42 C ATOM 921 CG LYS A 59 -6.555 18.860 -43.925 1.00 64.53 C ATOM 922 CD LYS A 59 -7.706 18.071 -44.527 1.00 64.02 C ATOM 923 CE LYS A 59 -7.341 16.606 -44.713 1.00 2.12 C ATOM 924 NZ LYS A 59 -8.481 15.814 -45.251 1.00 53.45 N ATOM 0 H LYS A 59 -3.670 20.185 -46.295 1.00 30.53 H new ATOM 0 HA LYS A 59 -3.871 19.122 -43.690 1.00 71.03 H new ATOM 0 HB2 LYS A 59 -5.607 20.400 -45.067 1.00 53.42 H new ATOM 0 HB3 LYS A 59 -5.887 18.916 -45.956 1.00 53.42 H new ATOM 0 HG2 LYS A 59 -6.037 18.245 -43.189 1.00 64.53 H new ATOM 0 HG3 LYS A 59 -6.946 19.729 -43.396 1.00 64.53 H new ATOM 0 HD2 LYS A 59 -8.580 18.150 -43.880 1.00 64.02 H new ATOM 0 HD3 LYS A 59 -7.981 18.503 -45.489 1.00 64.02 H new ATOM 0 HE2 LYS A 59 -6.492 16.527 -45.392 1.00 2.12 H new ATOM 0 HE3 LYS A 59 -7.026 16.186 -43.758 1.00 2.12 H new ATOM 0 HZ1 LYS A 59 -8.192 14.821 -45.363 1.00 53.45 H new ATOM 0 HZ2 LYS A 59 -9.283 15.868 -44.592 1.00 53.45 H new ATOM 0 HZ3 LYS A 59 -8.765 16.198 -46.175 1.00 53.45 H new ATOM 938 N GLU A 60 -3.941 16.939 -46.165 1.00 55.44 N ATOM 939 CA GLU A 60 -3.815 15.521 -46.480 1.00 4.20 C ATOM 940 C GLU A 60 -2.507 14.957 -45.931 1.00 52.10 C ATOM 941 O GLU A 60 -2.475 13.854 -45.384 1.00 10.13 O ATOM 942 CB GLU A 60 -3.881 15.304 -47.993 1.00 71.31 C ATOM 943 CG GLU A 60 -5.157 14.619 -48.454 1.00 22.20 C ATOM 944 CD GLU A 60 -4.894 13.277 -49.110 1.00 53.33 C ATOM 945 OE1 GLU A 60 -3.894 13.163 -49.848 1.00 64.22 O ATOM 946 OE2 GLU A 60 -5.690 12.342 -48.885 1.00 73.51 O ATOM 0 H GLU A 60 -3.980 17.551 -46.980 1.00 55.44 H new ATOM 0 HA GLU A 60 -4.645 14.995 -46.008 1.00 4.20 H new ATOM 0 HB2 GLU A 60 -3.795 16.268 -48.494 1.00 71.31 H new ATOM 0 HB3 GLU A 60 -3.025 14.706 -48.304 1.00 71.31 H new ATOM 0 HG2 GLU A 60 -5.819 14.478 -47.599 1.00 22.20 H new ATOM 0 HG3 GLU A 60 -5.679 15.267 -49.158 1.00 22.20 H new ATOM 953 N LEU A 61 -1.431 15.721 -46.082 1.00 21.22 N ATOM 954 CA LEU A 61 -0.120 15.298 -45.602 1.00 44.21 C ATOM 955 C LEU A 61 -0.093 15.231 -44.079 1.00 21.25 C ATOM 956 O LEU A 61 0.503 14.324 -43.497 1.00 5.02 O ATOM 957 CB LEU A 61 0.962 16.259 -46.101 1.00 35.25 C ATOM 958 CG LEU A 61 1.077 16.411 -47.618 1.00 33.13 C ATOM 959 CD1 LEU A 61 1.608 17.790 -47.977 1.00 74.11 C ATOM 960 CD2 LEU A 61 1.972 15.325 -48.196 1.00 44.11 C ATOM 0 H LEU A 61 -1.440 16.636 -46.533 1.00 21.22 H new ATOM 0 HA LEU A 61 0.079 14.301 -45.994 1.00 44.21 H new ATOM 0 HB2 LEU A 61 0.773 17.242 -45.671 1.00 35.25 H new ATOM 0 HB3 LEU A 61 1.924 15.922 -45.716 1.00 35.25 H new ATOM 0 HG LEU A 61 0.083 16.303 -48.052 1.00 33.13 H new ATOM 0 HD11 LEU A 61 1.683 17.880 -49.061 1.00 74.11 H new ATOM 0 HD12 LEU A 61 0.928 18.552 -47.596 1.00 74.11 H new ATOM 0 HD13 LEU A 61 2.594 17.928 -47.532 1.00 74.11 H new ATOM 0 HD21 LEU A 61 2.043 15.449 -49.277 1.00 44.11 H new ATOM 0 HD22 LEU A 61 2.967 15.401 -47.756 1.00 44.11 H new ATOM 0 HD23 LEU A 61 1.549 14.346 -47.970 1.00 44.11 H new ATOM 972 N CYS A 62 -0.745 16.195 -43.437 1.00 44.13 N ATOM 973 CA CYS A 62 -0.798 16.245 -41.981 1.00 42.43 C ATOM 974 C CYS A 62 -1.582 15.061 -41.424 1.00 72.24 C ATOM 975 O CYS A 62 -1.197 14.465 -40.418 1.00 12.30 O ATOM 976 CB CYS A 62 -1.436 17.557 -41.518 1.00 61.44 C ATOM 977 SG CYS A 62 -0.290 18.676 -40.650 1.00 61.54 S ATOM 0 H CYS A 62 -1.244 16.953 -43.903 1.00 44.13 H new ATOM 0 HA CYS A 62 0.223 16.192 -41.603 1.00 42.43 H new ATOM 0 HB2 CYS A 62 -1.846 18.075 -42.385 1.00 61.44 H new ATOM 0 HB3 CYS A 62 -2.273 17.329 -40.858 1.00 61.44 H new ATOM 0 HG CYS A 62 -0.704 18.861 -39.432 1.00 61.54 H new ATOM 982 N PHE A 63 -2.684 14.724 -42.086 1.00 52.34 N ATOM 983 CA PHE A 63 -3.524 13.612 -41.658 1.00 22.40 C ATOM 984 C PHE A 63 -2.856 12.275 -41.968 1.00 43.34 C ATOM 985 O PHE A 63 -2.926 11.336 -41.177 1.00 23.41 O ATOM 986 CB PHE A 63 -4.890 13.683 -42.343 1.00 32.23 C ATOM 987 CG PHE A 63 -5.991 14.154 -41.436 1.00 51.23 C ATOM 988 CD1 PHE A 63 -6.269 15.505 -41.306 1.00 42.44 C ATOM 989 CD2 PHE A 63 -6.748 13.246 -40.714 1.00 11.14 C ATOM 990 CE1 PHE A 63 -7.281 15.943 -40.473 1.00 75.35 C ATOM 991 CE2 PHE A 63 -7.762 13.677 -39.880 1.00 12.45 C ATOM 992 CZ PHE A 63 -8.028 15.027 -39.758 1.00 54.33 C ATOM 0 H PHE A 63 -3.016 15.206 -42.922 1.00 52.34 H new ATOM 0 HA PHE A 63 -3.662 13.688 -40.579 1.00 22.40 H new ATOM 0 HB2 PHE A 63 -4.824 14.354 -43.200 1.00 32.23 H new ATOM 0 HB3 PHE A 63 -5.146 12.696 -42.730 1.00 32.23 H new ATOM 0 HD1 PHE A 63 -5.687 16.225 -41.863 1.00 42.44 H new ATOM 0 HD2 PHE A 63 -6.543 12.189 -40.804 1.00 11.14 H new ATOM 0 HE1 PHE A 63 -7.487 16.999 -40.381 1.00 75.35 H new ATOM 0 HE2 PHE A 63 -8.346 12.959 -39.324 1.00 12.45 H new ATOM 0 HZ PHE A 63 -8.819 15.366 -39.105 1.00 54.33 H new ATOM 1002 N ALA A 64 -2.209 12.199 -43.127 1.00 3.02 N ATOM 1003 CA ALA A 64 -1.527 10.980 -43.542 1.00 61.51 C ATOM 1004 C ALA A 64 -0.197 10.818 -42.813 1.00 14.32 C ATOM 1005 O ALA A 64 0.356 9.721 -42.746 1.00 54.53 O ATOM 1006 CB ALA A 64 -1.308 10.984 -45.048 1.00 30.12 C ATOM 0 H ALA A 64 -2.143 12.967 -43.795 1.00 3.02 H new ATOM 0 HA ALA A 64 -2.160 10.133 -43.280 1.00 61.51 H new ATOM 0 HB1 ALA A 64 -0.798 10.067 -45.344 1.00 30.12 H new ATOM 0 HB2 ALA A 64 -2.271 11.043 -45.556 1.00 30.12 H new ATOM 0 HB3 ALA A 64 -0.699 11.844 -45.325 1.00 30.12 H new ATOM 1012 N ASN A 65 0.311 11.919 -42.268 1.00 35.02 N ATOM 1013 CA ASN A 65 1.577 11.899 -41.544 1.00 54.31 C ATOM 1014 C ASN A 65 1.592 10.782 -40.505 1.00 41.12 C ATOM 1015 O ASN A 65 0.646 10.624 -39.734 1.00 34.34 O ATOM 1016 CB ASN A 65 1.820 13.248 -40.863 1.00 73.31 C ATOM 1017 CG ASN A 65 1.789 13.145 -39.350 1.00 43.24 C ATOM 1018 OD1 ASN A 65 2.830 13.017 -38.705 1.00 33.21 O ATOM 1019 ND2 ASN A 65 0.593 13.201 -38.778 1.00 14.43 N ATOM 0 H ASN A 65 -0.134 12.835 -42.314 1.00 35.02 H new ATOM 0 HA ASN A 65 2.375 11.713 -42.263 1.00 54.31 H new ATOM 0 HB2 ASN A 65 2.786 13.642 -41.178 1.00 73.31 H new ATOM 0 HB3 ASN A 65 1.063 13.960 -41.192 1.00 73.31 H new ATOM 0 HD21 ASN A 65 0.509 13.137 -37.763 1.00 14.43 H new ATOM 0 HD22 ASN A 65 -0.243 13.308 -39.353 1.00 14.43 H new ATOM 1026 N CYS A 66 2.673 10.010 -40.491 1.00 4.02 N ATOM 1027 CA CYS A 66 2.814 8.907 -39.547 1.00 51.54 C ATOM 1028 C CYS A 66 4.247 8.383 -39.534 1.00 33.44 C ATOM 1029 O CYS A 66 4.979 8.480 -40.518 1.00 65.12 O ATOM 1030 CB CYS A 66 1.848 7.776 -39.905 1.00 41.25 C ATOM 1031 SG CYS A 66 0.386 7.676 -38.823 1.00 41.23 S ATOM 0 H CYS A 66 3.465 10.128 -41.123 1.00 4.02 H new ATOM 0 HA CYS A 66 2.573 9.280 -38.551 1.00 51.54 H new ATOM 0 HB2 CYS A 66 1.516 7.908 -40.935 1.00 41.25 H new ATOM 0 HB3 CYS A 66 2.384 6.828 -39.862 1.00 41.25 H new ATOM 1036 N PRO A 67 4.657 7.812 -38.391 1.00 52.11 N ATOM 1037 CA PRO A 67 6.004 7.260 -38.221 1.00 71.31 C ATOM 1038 C PRO A 67 6.220 5.995 -39.045 1.00 30.33 C ATOM 1039 O PRO A 67 5.287 5.429 -39.615 1.00 14.32 O ATOM 1040 CB PRO A 67 6.071 6.942 -36.725 1.00 72.32 C ATOM 1041 CG PRO A 67 4.653 6.736 -36.318 1.00 14.21 C ATOM 1042 CD PRO A 67 3.837 7.662 -37.177 1.00 73.13 C ATOM 0 HA PRO A 67 6.774 7.954 -38.558 1.00 71.31 H new ATOM 0 HB2 PRO A 67 6.671 6.052 -36.536 1.00 72.32 H new ATOM 0 HB3 PRO A 67 6.529 7.759 -36.167 1.00 72.32 H new ATOM 0 HG2 PRO A 67 4.351 5.699 -36.466 1.00 14.21 H new ATOM 0 HG3 PRO A 67 4.514 6.961 -35.261 1.00 14.21 H new ATOM 0 HD2 PRO A 67 2.857 7.241 -37.403 1.00 73.13 H new ATOM 0 HD3 PRO A 67 3.667 8.620 -36.686 1.00 73.13 H new ATOM 1050 N PRO A 68 7.479 5.538 -39.110 1.00 24.10 N ATOM 1051 CA PRO A 68 7.847 4.334 -39.861 1.00 32.21 C ATOM 1052 C PRO A 68 7.315 3.061 -39.212 1.00 32.24 C ATOM 1053 O PRO A 68 6.595 3.115 -38.214 1.00 32.23 O ATOM 1054 CB PRO A 68 9.377 4.350 -39.831 1.00 2.22 C ATOM 1055 CG PRO A 68 9.724 5.129 -38.609 1.00 33.32 C ATOM 1056 CD PRO A 68 8.642 6.162 -38.455 1.00 74.51 C ATOM 0 HA PRO A 68 7.427 4.337 -40.867 1.00 32.21 H new ATOM 0 HB2 PRO A 68 9.783 3.339 -39.785 1.00 2.22 H new ATOM 0 HB3 PRO A 68 9.786 4.817 -40.727 1.00 2.22 H new ATOM 0 HG2 PRO A 68 9.772 4.481 -37.734 1.00 33.32 H new ATOM 0 HG3 PRO A 68 10.702 5.600 -38.711 1.00 33.32 H new ATOM 0 HD2 PRO A 68 8.443 6.382 -37.406 1.00 74.51 H new ATOM 0 HD3 PRO A 68 8.914 7.104 -38.932 1.00 74.51 H new ATOM 1064 N LEU A 69 7.674 1.916 -39.783 1.00 15.50 N ATOM 1065 CA LEU A 69 7.232 0.628 -39.259 1.00 44.41 C ATOM 1066 C LEU A 69 8.401 -0.346 -39.155 1.00 22.15 C ATOM 1067 O LEU A 69 8.231 -1.554 -39.317 1.00 15.21 O ATOM 1068 CB LEU A 69 6.140 0.039 -40.153 1.00 64.24 C ATOM 1069 CG LEU A 69 6.397 0.107 -41.659 1.00 72.33 C ATOM 1070 CD1 LEU A 69 5.820 -1.116 -42.355 1.00 34.43 C ATOM 1071 CD2 LEU A 69 5.808 1.382 -42.244 1.00 12.44 C ATOM 0 H LEU A 69 8.270 1.853 -40.609 1.00 15.50 H new ATOM 0 HA LEU A 69 6.827 0.789 -38.260 1.00 44.41 H new ATOM 0 HB2 LEU A 69 5.995 -1.005 -39.876 1.00 64.24 H new ATOM 0 HB3 LEU A 69 5.205 0.558 -39.940 1.00 64.24 H new ATOM 0 HG LEU A 69 7.474 0.119 -41.823 1.00 72.33 H new ATOM 0 HD11 LEU A 69 6.013 -1.050 -43.426 1.00 34.43 H new ATOM 0 HD12 LEU A 69 6.289 -2.016 -41.957 1.00 34.43 H new ATOM 0 HD13 LEU A 69 4.745 -1.160 -42.182 1.00 34.43 H new ATOM 0 HD21 LEU A 69 6.001 1.413 -43.316 1.00 12.44 H new ATOM 0 HD22 LEU A 69 4.732 1.400 -42.068 1.00 12.44 H new ATOM 0 HD23 LEU A 69 6.268 2.247 -41.767 1.00 12.44 H new ATOM 1083 N GLU A 70 9.587 0.188 -38.880 1.00 65.33 N ATOM 1084 CA GLU A 70 10.784 -0.636 -38.753 1.00 31.04 C ATOM 1085 C GLU A 70 11.392 -0.500 -37.360 1.00 3.32 C ATOM 1086 O GLU A 70 12.107 -1.387 -36.895 1.00 11.23 O ATOM 1087 CB GLU A 70 11.816 -0.244 -39.812 1.00 54.24 C ATOM 1088 CG GLU A 70 11.471 -0.734 -41.208 1.00 73.35 C ATOM 1089 CD GLU A 70 12.585 -1.553 -41.831 1.00 32.32 C ATOM 1090 OE1 GLU A 70 12.866 -2.657 -41.319 1.00 33.41 O ATOM 1091 OE2 GLU A 70 13.176 -1.091 -42.829 1.00 13.32 O ATOM 0 H GLU A 70 9.745 1.186 -38.741 1.00 65.33 H new ATOM 0 HA GLU A 70 10.496 -1.676 -38.906 1.00 31.04 H new ATOM 0 HB2 GLU A 70 11.911 0.842 -39.830 1.00 54.24 H new ATOM 0 HB3 GLU A 70 12.788 -0.644 -39.525 1.00 54.24 H new ATOM 0 HG2 GLU A 70 10.564 -1.336 -41.164 1.00 73.35 H new ATOM 0 HG3 GLU A 70 11.254 0.123 -41.846 1.00 73.35 H new