USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 595 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 Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=3.81e-05 USER MOD Single : A 50 HIS : no HD1:sc= -0.591 K(o=-0.59,f=0.15) USER MOD Single : A 52 HIS : no HD1:sc= -0.08 X(o=-0.08,f=-0.32) USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= 0.875 (180deg=-0.338) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot -91:sc= 0.0817 USER MOD Single : B 111 HIS : no HD1:sc= -0.59 K(o=-0.59,f=0.15) USER MOD Single : B 113 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-8.6!) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 185 N CYS A 13 -17.022 -5.307 -6.927 1.00 0.00 N ATOM 186 CA CYS A 13 -15.912 -4.521 -6.370 1.00 0.00 C ATOM 187 C CYS A 13 -14.732 -4.391 -7.332 1.00 0.00 C ATOM 188 O CYS A 13 -13.574 -4.446 -6.924 1.00 0.00 O ATOM 189 CB CYS A 13 -15.447 -5.053 -5.002 1.00 0.00 C ATOM 190 SG CYS A 13 -15.088 -6.840 -4.905 1.00 0.00 S ATOM 0 HA CYS A 13 -16.314 -3.519 -6.219 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.549 -4.508 -4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -16.215 -4.818 -4.265 1.00 0.00 H new ATOM 195 N ALA A 14 -15.033 -4.188 -8.612 1.00 0.00 N ATOM 196 CA ALA A 14 -14.003 -4.022 -9.623 1.00 0.00 C ATOM 197 C ALA A 14 -14.008 -2.596 -10.163 1.00 0.00 C ATOM 198 O ALA A 14 -13.443 -2.318 -11.220 1.00 0.00 O ATOM 199 CB ALA A 14 -14.196 -5.015 -10.758 1.00 0.00 C ATOM 0 H ALA A 14 -15.986 -4.135 -8.970 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.037 -4.215 -9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.414 -4.872 -11.503 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.143 -6.031 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.170 -4.855 -11.220 1.00 0.00 H new ATOM 205 N ALA A 15 -14.657 -1.696 -9.433 1.00 0.00 N ATOM 206 CA ALA A 15 -14.737 -0.302 -9.846 1.00 0.00 C ATOM 207 C ALA A 15 -13.591 0.510 -9.255 1.00 0.00 C ATOM 208 O ALA A 15 -12.583 0.748 -9.915 1.00 0.00 O ATOM 209 CB ALA A 15 -16.080 0.298 -9.447 1.00 0.00 C ATOM 0 H ALA A 15 -15.133 -1.906 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.651 -0.266 -10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.121 1.340 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.884 -0.259 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.196 0.243 -8.365 1.00 0.00 H new ATOM 215 N ALA A 16 -13.757 0.940 -8.010 1.00 0.00 N ATOM 216 CA ALA A 16 -12.743 1.739 -7.327 1.00 0.00 C ATOM 217 C ALA A 16 -11.552 0.893 -6.886 1.00 0.00 C ATOM 218 O ALA A 16 -10.435 1.392 -6.773 1.00 0.00 O ATOM 219 CB ALA A 16 -13.353 2.439 -6.124 1.00 0.00 C ATOM 0 H ALA A 16 -14.587 0.748 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.378 2.481 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.589 3.032 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.161 3.092 -6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.748 1.695 -5.432 1.00 0.00 H new ATOM 225 N ILE A 17 -11.801 -0.385 -6.641 1.00 0.00 N ATOM 226 CA ILE A 17 -10.762 -1.303 -6.210 1.00 0.00 C ATOM 227 C ILE A 17 -9.842 -1.657 -7.370 1.00 0.00 C ATOM 228 O ILE A 17 -8.621 -1.614 -7.239 1.00 0.00 O ATOM 229 CB ILE A 17 -11.401 -2.572 -5.596 1.00 0.00 C ATOM 230 CG1 ILE A 17 -11.930 -2.246 -4.205 1.00 0.00 C ATOM 231 CG2 ILE A 17 -10.428 -3.742 -5.526 1.00 0.00 C ATOM 232 CD1 ILE A 17 -12.763 -3.351 -3.604 1.00 0.00 C ATOM 0 H ILE A 17 -12.723 -0.811 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.156 -0.817 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.218 -2.880 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.088 -2.036 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.529 -1.337 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.928 -4.605 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.087 -3.992 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.572 -3.467 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.106 -3.051 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.624 -3.546 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.161 -4.256 -3.520 1.00 0.00 H new ATOM 244 N ALA A 18 -10.433 -1.988 -8.512 1.00 0.00 N ATOM 245 CA ALA A 18 -9.651 -2.333 -9.685 1.00 0.00 C ATOM 246 C ALA A 18 -9.186 -1.083 -10.425 1.00 0.00 C ATOM 247 O ALA A 18 -8.284 -1.144 -11.261 1.00 0.00 O ATOM 248 CB ALA A 18 -10.434 -3.245 -10.618 1.00 0.00 C ATOM 0 H ALA A 18 -11.443 -2.024 -8.647 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.768 -2.873 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.823 -3.487 -11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.697 -4.163 -10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.343 -2.739 -10.943 1.00 0.00 H new ATOM 254 N GLY A 19 -9.804 0.050 -10.114 1.00 0.00 N ATOM 255 CA GLY A 19 -9.441 1.298 -10.758 1.00 0.00 C ATOM 256 C GLY A 19 -8.235 1.944 -10.110 1.00 0.00 C ATOM 257 O GLY A 19 -7.425 2.581 -10.784 1.00 0.00 O ATOM 0 H GLY A 19 -10.552 0.127 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.231 1.114 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.286 1.986 -10.717 1.00 0.00 H new ATOM 261 N ALA A 20 -8.107 1.776 -8.796 1.00 0.00 N ATOM 262 CA ALA A 20 -6.986 2.342 -8.061 1.00 0.00 C ATOM 263 C ALA A 20 -5.708 1.558 -8.330 1.00 0.00 C ATOM 264 O ALA A 20 -4.608 2.018 -8.020 1.00 0.00 O ATOM 265 CB ALA A 20 -7.283 2.384 -6.571 1.00 0.00 C ATOM 0 H ALA A 20 -8.767 1.252 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.838 3.364 -8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.431 2.811 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.165 2.999 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.466 1.373 -6.208 1.00 0.00 H new ATOM 271 N VAL A 21 -5.857 0.379 -8.923 1.00 0.00 N ATOM 272 CA VAL A 21 -4.731 -0.460 -9.256 1.00 0.00 C ATOM 273 C VAL A 21 -3.852 0.232 -10.297 1.00 0.00 C ATOM 274 O VAL A 21 -2.623 0.179 -10.227 1.00 0.00 O ATOM 275 CB VAL A 21 -5.221 -1.818 -9.796 1.00 0.00 C ATOM 276 CG1 VAL A 21 -4.061 -2.656 -10.277 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.008 -2.567 -8.734 1.00 0.00 C ATOM 0 H VAL A 21 -6.762 -0.014 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.143 -0.632 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.879 -1.624 -10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.432 -3.609 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.538 -2.129 -11.075 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.374 -2.835 -9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.344 -3.523 -9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.372 -2.742 -7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.873 -1.974 -8.436 1.00 0.00 H new ATOM 287 N ALA A 22 -4.494 0.897 -11.253 1.00 0.00 N ATOM 288 CA ALA A 22 -3.779 1.612 -12.301 1.00 0.00 C ATOM 289 C ALA A 22 -3.094 2.855 -11.748 1.00 0.00 C ATOM 290 O ALA A 22 -2.046 3.269 -12.245 1.00 0.00 O ATOM 291 CB ALA A 22 -4.729 1.998 -13.425 1.00 0.00 C ATOM 0 H ALA A 22 -5.510 0.955 -11.322 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.013 0.946 -12.697 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.178 2.532 -14.200 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.174 1.098 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.516 2.641 -13.031 1.00 0.00 H new ATOM 297 N ALA A 23 -3.698 3.449 -10.724 1.00 0.00 N ATOM 298 CA ALA A 23 -3.157 4.653 -10.104 1.00 0.00 C ATOM 299 C ALA A 23 -1.893 4.356 -9.305 1.00 0.00 C ATOM 300 O ALA A 23 -0.914 5.101 -9.375 1.00 0.00 O ATOM 301 CB ALA A 23 -4.202 5.301 -9.207 1.00 0.00 C ATOM 0 H ALA A 23 -4.566 3.115 -10.305 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.891 5.344 -10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.784 6.198 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.076 5.569 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.496 4.600 -8.426 1.00 0.00 H new ATOM 307 N CYS A 24 -1.918 3.273 -8.540 1.00 0.00 N ATOM 308 CA CYS A 24 -0.772 2.891 -7.723 1.00 0.00 C ATOM 309 C CYS A 24 0.260 2.130 -8.547 1.00 0.00 C ATOM 310 O CYS A 24 1.420 2.022 -8.151 1.00 0.00 O ATOM 311 CB CYS A 24 -1.230 2.039 -6.538 1.00 0.00 C ATOM 312 SG CYS A 24 -2.540 2.807 -5.519 1.00 0.00 S ATOM 0 H CYS A 24 -2.717 2.644 -8.467 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.304 3.802 -7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.592 1.082 -6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.369 1.828 -5.903 1.00 0.00 H new ATOM 317 N GLY A 25 -0.164 1.592 -9.685 1.00 0.00 N ATOM 318 CA GLY A 25 0.746 0.834 -10.520 1.00 0.00 C ATOM 319 C GLY A 25 0.949 -0.553 -9.960 1.00 0.00 C ATOM 320 O GLY A 25 2.061 -0.939 -9.600 1.00 0.00 O ATOM 0 H GLY A 25 -1.117 1.667 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.350 0.769 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.704 1.350 -10.585 1.00 0.00 H new ATOM 324 N GLY A 26 -0.148 -1.276 -9.844 1.00 0.00 N ATOM 325 CA GLY A 26 -0.119 -2.602 -9.276 1.00 0.00 C ATOM 326 C GLY A 26 -1.042 -2.657 -8.089 1.00 0.00 C ATOM 327 O GLY A 26 -1.352 -1.616 -7.502 1.00 0.00 O ATOM 0 H GLY A 26 -1.073 -0.962 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.424 -3.336 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.896 -2.858 -8.973 1.00 0.00 H new ATOM 331 N ILE A 27 -1.517 -3.830 -7.726 1.00 0.00 N ATOM 332 CA ILE A 27 -2.431 -3.910 -6.607 1.00 0.00 C ATOM 333 C ILE A 27 -1.736 -4.325 -5.315 1.00 0.00 C ATOM 334 O ILE A 27 -0.783 -5.105 -5.317 1.00 0.00 O ATOM 335 CB ILE A 27 -3.615 -4.852 -6.887 1.00 0.00 C ATOM 336 CG1 ILE A 27 -4.624 -4.739 -5.748 1.00 0.00 C ATOM 337 CG2 ILE A 27 -3.149 -6.293 -7.068 1.00 0.00 C ATOM 338 CD1 ILE A 27 -5.722 -5.753 -5.810 1.00 0.00 C ATOM 0 H ILE A 27 -1.294 -4.718 -8.175 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.818 -2.900 -6.476 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.092 -4.554 -7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.099 -4.844 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.063 -3.741 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.010 -6.932 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.457 -6.349 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.647 -6.630 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.399 -5.609 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.274 -5.635 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.295 -6.755 -5.765 1.00 0.00 H new ATOM 350 N ASP A 28 -2.253 -3.791 -4.217 1.00 0.00 N ATOM 351 CA ASP A 28 -1.753 -4.069 -2.884 1.00 0.00 C ATOM 352 C ASP A 28 -2.837 -3.679 -1.884 1.00 0.00 C ATOM 353 O ASP A 28 -3.857 -4.355 -1.782 1.00 0.00 O ATOM 354 CB ASP A 28 -0.463 -3.286 -2.628 1.00 0.00 C ATOM 355 CG ASP A 28 0.348 -3.839 -1.483 1.00 0.00 C ATOM 356 OD1 ASP A 28 -0.042 -4.879 -0.924 1.00 0.00 O ATOM 357 OD2 ASP A 28 1.383 -3.234 -1.154 1.00 0.00 O ATOM 0 H ASP A 28 -3.042 -3.144 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.518 -5.128 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.145 -3.293 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.712 -2.245 -2.420 1.00 0.00 H new ATOM 362 N LEU A 29 -2.634 -2.565 -1.185 1.00 0.00 N ATOM 363 CA LEU A 29 -3.618 -2.071 -0.221 1.00 0.00 C ATOM 364 C LEU A 29 -3.230 -0.705 0.363 1.00 0.00 C ATOM 365 O LEU A 29 -4.071 0.191 0.423 1.00 0.00 O ATOM 366 CB LEU A 29 -3.843 -3.082 0.911 1.00 0.00 C ATOM 367 CG LEU A 29 -4.907 -2.680 1.931 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.232 -2.394 1.241 1.00 0.00 C ATOM 369 CD2 LEU A 29 -5.072 -3.769 2.977 1.00 0.00 C ATOM 0 H LEU A 29 -1.798 -1.986 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.550 -1.943 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.124 -4.039 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.899 -3.236 1.434 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.581 -1.767 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.976 -2.110 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.103 -1.580 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.568 -3.287 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.833 -3.469 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.377 -4.696 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.125 -3.924 3.493 1.00 0.00 H new ATOM 381 N PRO A 30 -1.967 -0.517 0.824 1.00 0.00 N ATOM 382 CA PRO A 30 -1.511 0.755 1.426 1.00 0.00 C ATOM 383 C PRO A 30 -1.731 1.992 0.547 1.00 0.00 C ATOM 384 O PRO A 30 -1.655 3.117 1.031 1.00 0.00 O ATOM 385 CB PRO A 30 -0.010 0.536 1.655 1.00 0.00 C ATOM 386 CG PRO A 30 0.347 -0.673 0.860 1.00 0.00 C ATOM 387 CD PRO A 30 -0.886 -1.519 0.837 1.00 0.00 C ATOM 0 HA PRO A 30 -2.083 0.968 2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.566 1.402 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.207 0.387 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.655 -0.401 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.181 -1.208 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.919 -2.162 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.947 -2.169 1.710 1.00 0.00 H new ATOM 395 N CYS A 31 -1.997 1.787 -0.734 1.00 0.00 N ATOM 396 CA CYS A 31 -2.226 2.894 -1.652 1.00 0.00 C ATOM 397 C CYS A 31 -3.635 2.834 -2.229 1.00 0.00 C ATOM 398 O CYS A 31 -4.242 3.858 -2.540 1.00 0.00 O ATOM 399 CB CYS A 31 -1.190 2.867 -2.783 1.00 0.00 C ATOM 400 SG CYS A 31 -1.543 3.981 -4.189 1.00 0.00 S ATOM 0 H CYS A 31 -2.060 0.864 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.121 3.827 -1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.216 3.129 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.113 1.847 -3.159 1.00 0.00 H new ATOM 405 N VAL A 32 -4.142 1.620 -2.384 1.00 0.00 N ATOM 406 CA VAL A 32 -5.458 1.396 -2.942 1.00 0.00 C ATOM 407 C VAL A 32 -6.579 1.775 -1.965 1.00 0.00 C ATOM 408 O VAL A 32 -7.750 1.799 -2.340 1.00 0.00 O ATOM 409 CB VAL A 32 -5.606 -0.085 -3.346 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.623 -0.236 -4.450 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.269 -0.668 -3.783 1.00 0.00 C ATOM 0 H VAL A 32 -3.649 0.765 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.554 2.039 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.952 -0.636 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.713 -1.288 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.589 0.134 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.303 0.337 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.402 -1.713 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.890 -0.109 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.556 -0.600 -2.961 1.00 0.00 H new ATOM 421 N LEU A 33 -6.228 2.065 -0.713 1.00 0.00 N ATOM 422 CA LEU A 33 -7.234 2.427 0.287 1.00 0.00 C ATOM 423 C LEU A 33 -7.809 3.823 0.030 1.00 0.00 C ATOM 424 O LEU A 33 -8.836 4.189 0.601 1.00 0.00 O ATOM 425 CB LEU A 33 -6.660 2.365 1.711 1.00 0.00 C ATOM 426 CG LEU A 33 -5.998 3.653 2.227 1.00 0.00 C ATOM 427 CD1 LEU A 33 -5.774 3.570 3.725 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.677 3.917 1.528 1.00 0.00 C ATOM 0 H LEU A 33 -5.268 2.057 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.037 1.696 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.465 2.095 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.925 1.561 1.751 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.674 4.480 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.305 4.490 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.731 3.437 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.125 2.724 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.237 4.835 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.997 3.084 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.847 4.022 0.456 1.00 0.00 H new ATOM 440 N ALA A 34 -7.133 4.597 -0.819 1.00 0.00 N ATOM 441 CA ALA A 34 -7.564 5.956 -1.142 1.00 0.00 C ATOM 442 C ALA A 34 -8.986 5.985 -1.688 1.00 0.00 C ATOM 443 O ALA A 34 -9.852 6.687 -1.161 1.00 0.00 O ATOM 444 CB ALA A 34 -6.605 6.586 -2.140 1.00 0.00 C ATOM 0 H ALA A 34 -6.281 4.304 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.555 6.534 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.936 7.598 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.604 6.621 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.587 5.991 -3.053 1.00 0.00 H new ATOM 450 N ALA A 35 -9.227 5.214 -2.740 1.00 0.00 N ATOM 451 CA ALA A 35 -10.549 5.148 -3.350 1.00 0.00 C ATOM 452 C ALA A 35 -11.390 4.059 -2.694 1.00 0.00 C ATOM 453 O ALA A 35 -12.400 3.620 -3.245 1.00 0.00 O ATOM 454 CB ALA A 35 -10.430 4.893 -4.845 1.00 0.00 C ATOM 0 H ALA A 35 -8.525 4.626 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.045 6.106 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.425 4.846 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.865 5.702 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.914 3.948 -5.013 1.00 0.00 H new ATOM 460 N LEU A 36 -10.957 3.621 -1.521 1.00 0.00 N ATOM 461 CA LEU A 36 -11.650 2.574 -0.787 1.00 0.00 C ATOM 462 C LEU A 36 -12.264 3.131 0.501 1.00 0.00 C ATOM 463 O LEU A 36 -12.893 2.403 1.270 1.00 0.00 O ATOM 464 CB LEU A 36 -10.658 1.452 -0.462 1.00 0.00 C ATOM 465 CG LEU A 36 -11.279 0.123 -0.045 1.00 0.00 C ATOM 466 CD1 LEU A 36 -12.098 -0.461 -1.184 1.00 0.00 C ATOM 467 CD2 LEU A 36 -10.198 -0.853 0.392 1.00 0.00 C ATOM 0 H LEU A 36 -10.123 3.978 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.460 2.180 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.031 1.281 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.001 1.793 0.339 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.944 0.301 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.534 -1.409 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.894 0.233 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.454 -0.626 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.657 -1.797 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.509 -1.027 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.652 -0.436 1.238 1.00 0.00 H new ATOM 479 N LYS A 37 -12.068 4.424 0.732 1.00 0.00 N ATOM 480 CA LYS A 37 -12.587 5.080 1.928 1.00 0.00 C ATOM 481 C LYS A 37 -13.896 5.817 1.633 1.00 0.00 C ATOM 482 O LYS A 37 -14.150 6.205 0.490 1.00 0.00 O ATOM 483 CB LYS A 37 -11.520 6.035 2.490 1.00 0.00 C ATOM 484 CG LYS A 37 -11.936 6.783 3.750 1.00 0.00 C ATOM 485 CD LYS A 37 -10.738 7.102 4.635 1.00 0.00 C ATOM 486 CE LYS A 37 -9.653 7.863 3.885 1.00 0.00 C ATOM 487 NZ LYS A 37 -8.462 8.132 4.739 1.00 0.00 N ATOM 0 H LYS A 37 -11.552 5.041 0.105 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.812 4.322 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.617 5.463 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.261 6.762 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.442 7.708 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.653 6.183 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.068 7.692 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.322 6.174 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.348 7.290 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.059 8.807 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.750 8.652 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.746 8.702 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.058 7.231 5.065 1.00 0.00 H new ATOM 501 N ALA A 38 -14.716 5.990 2.682 1.00 0.00 N ATOM 502 CA ALA A 38 -16.014 6.666 2.594 1.00 0.00 C ATOM 503 C ALA A 38 -17.043 5.813 1.858 1.00 0.00 C ATOM 504 O ALA A 38 -17.543 6.200 0.802 1.00 0.00 O ATOM 505 CB ALA A 38 -15.882 8.037 1.940 1.00 0.00 C ATOM 0 H ALA A 38 -14.492 5.661 3.621 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.370 6.811 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.862 8.512 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.207 8.658 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.482 7.923 0.932 1.00 0.00 H new ATOM 511 N ALA A 39 -17.358 4.657 2.434 1.00 0.00 N ATOM 512 CA ALA A 39 -18.334 3.741 1.851 1.00 0.00 C ATOM 513 C ALA A 39 -18.800 2.725 2.884 1.00 0.00 C ATOM 514 O ALA A 39 -18.148 2.536 3.914 1.00 0.00 O ATOM 515 CB ALA A 39 -17.744 3.020 0.645 1.00 0.00 C ATOM 0 H ALA A 39 -16.949 4.330 3.309 1.00 0.00 H new ATOM 0 HA ALA A 39 -19.192 4.328 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.488 2.343 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.453 3.751 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.868 2.450 0.955 1.00 0.00 H new ATOM 521 N GLU A 40 -19.919 2.069 2.600 1.00 0.00 N ATOM 522 CA GLU A 40 -20.463 1.059 3.500 1.00 0.00 C ATOM 523 C GLU A 40 -19.791 -0.286 3.243 1.00 0.00 C ATOM 524 O GLU A 40 -20.404 -1.210 2.703 1.00 0.00 O ATOM 525 CB GLU A 40 -21.983 0.917 3.330 1.00 0.00 C ATOM 526 CG GLU A 40 -22.791 2.133 3.767 1.00 0.00 C ATOM 527 CD GLU A 40 -22.986 3.148 2.664 1.00 0.00 C ATOM 528 OE1 GLU A 40 -22.022 3.855 2.322 1.00 0.00 O ATOM 529 OE2 GLU A 40 -24.107 3.232 2.130 1.00 0.00 O ATOM 0 H GLU A 40 -20.468 2.218 1.753 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.262 1.380 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -22.200 0.712 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.319 0.051 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.766 1.803 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.289 2.612 4.607 1.00 0.00 H new ATOM 536 N GLY A 41 -18.525 -0.387 3.616 1.00 0.00 N ATOM 537 CA GLY A 41 -17.793 -1.618 3.405 1.00 0.00 C ATOM 538 C GLY A 41 -17.113 -1.645 2.055 1.00 0.00 C ATOM 539 O GLY A 41 -16.168 -0.893 1.823 1.00 0.00 O ATOM 0 H GLY A 41 -17.992 0.360 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.046 -1.735 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.475 -2.464 3.485 1.00 0.00 H new ATOM 543 N CYS A 42 -17.602 -2.515 1.165 1.00 0.00 N ATOM 544 CA CYS A 42 -17.061 -2.667 -0.197 1.00 0.00 C ATOM 545 C CYS A 42 -15.707 -3.377 -0.208 1.00 0.00 C ATOM 546 O CYS A 42 -15.401 -4.128 -1.135 1.00 0.00 O ATOM 547 CB CYS A 42 -16.934 -1.314 -0.904 1.00 0.00 C ATOM 548 SG CYS A 42 -18.508 -0.412 -1.101 1.00 0.00 S ATOM 0 H CYS A 42 -18.386 -3.136 1.366 1.00 0.00 H new ATOM 0 HA CYS A 42 -17.775 -3.287 -0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -16.240 -0.689 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.495 -1.473 -1.889 1.00 0.00 H new ATOM 0 HG CYS A 42 -18.288 0.717 -1.707 1.00 0.00 H new ATOM 553 N ALA A 43 -14.895 -3.133 0.814 1.00 0.00 N ATOM 554 CA ALA A 43 -13.573 -3.738 0.914 1.00 0.00 C ATOM 555 C ALA A 43 -13.637 -5.175 1.420 1.00 0.00 C ATOM 556 O ALA A 43 -12.629 -5.723 1.859 1.00 0.00 O ATOM 557 CB ALA A 43 -12.691 -2.907 1.830 1.00 0.00 C ATOM 0 H ALA A 43 -15.132 -2.515 1.590 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.146 -3.761 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.705 -3.366 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.595 -1.899 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.140 -2.859 2.822 1.00 0.00 H new ATOM 563 N SER A 44 -14.816 -5.778 1.358 1.00 0.00 N ATOM 564 CA SER A 44 -15.000 -7.149 1.814 1.00 0.00 C ATOM 565 C SER A 44 -14.236 -8.125 0.919 1.00 0.00 C ATOM 566 O SER A 44 -13.362 -8.851 1.384 1.00 0.00 O ATOM 567 CB SER A 44 -16.489 -7.496 1.822 1.00 0.00 C ATOM 568 OG SER A 44 -17.250 -6.439 2.389 1.00 0.00 O ATOM 0 H SER A 44 -15.662 -5.338 0.995 1.00 0.00 H new ATOM 0 HA SER A 44 -14.606 -7.235 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.828 -7.689 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.651 -8.412 2.390 1.00 0.00 H new ATOM 0 HG SER A 44 -18.200 -6.680 2.383 1.00 0.00 H new ATOM 574 N CYS A 45 -14.568 -8.120 -0.368 1.00 0.00 N ATOM 575 CA CYS A 45 -13.919 -8.992 -1.349 1.00 0.00 C ATOM 576 C CYS A 45 -12.456 -8.619 -1.552 1.00 0.00 C ATOM 577 O CYS A 45 -11.644 -9.444 -1.966 1.00 0.00 O ATOM 578 CB CYS A 45 -14.655 -8.894 -2.686 1.00 0.00 C ATOM 579 SG CYS A 45 -15.451 -7.275 -2.956 1.00 0.00 S ATOM 0 H CYS A 45 -15.290 -7.516 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.959 -10.013 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -13.950 -9.084 -3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.413 -9.676 -2.734 1.00 0.00 H new ATOM 584 N PHE A 46 -12.135 -7.367 -1.277 1.00 0.00 N ATOM 585 CA PHE A 46 -10.781 -6.865 -1.446 1.00 0.00 C ATOM 586 C PHE A 46 -9.897 -7.230 -0.259 1.00 0.00 C ATOM 587 O PHE A 46 -9.009 -8.076 -0.370 1.00 0.00 O ATOM 588 CB PHE A 46 -10.832 -5.346 -1.616 1.00 0.00 C ATOM 589 CG PHE A 46 -9.524 -4.693 -1.970 1.00 0.00 C ATOM 590 CD1 PHE A 46 -8.358 -5.428 -2.121 1.00 0.00 C ATOM 591 CD2 PHE A 46 -9.475 -3.327 -2.154 1.00 0.00 C ATOM 592 CE1 PHE A 46 -7.172 -4.806 -2.446 1.00 0.00 C ATOM 593 CE2 PHE A 46 -8.298 -2.699 -2.479 1.00 0.00 C ATOM 594 CZ PHE A 46 -7.140 -3.440 -2.624 1.00 0.00 C ATOM 0 H PHE A 46 -12.799 -6.674 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.346 -7.327 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.559 -5.108 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.200 -4.906 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.379 -6.499 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.376 -2.742 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.270 -5.388 -2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.277 -1.629 -2.621 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.212 -2.949 -2.876 1.00 0.00 H new ATOM 604 N CYS A 47 -10.128 -6.565 0.861 1.00 0.00 N ATOM 605 CA CYS A 47 -9.339 -6.780 2.067 1.00 0.00 C ATOM 606 C CYS A 47 -9.750 -8.036 2.810 1.00 0.00 C ATOM 607 O CYS A 47 -9.791 -8.042 4.028 1.00 0.00 O ATOM 608 CB CYS A 47 -9.498 -5.592 2.998 1.00 0.00 C ATOM 609 SG CYS A 47 -9.269 -3.984 2.189 1.00 0.00 S ATOM 0 H CYS A 47 -10.863 -5.865 0.962 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.301 -6.895 1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.492 -5.624 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.779 -5.683 3.812 1.00 0.00 H new ATOM 614 N GLU A 48 -10.041 -9.093 2.090 1.00 0.00 N ATOM 615 CA GLU A 48 -10.431 -10.340 2.718 1.00 0.00 C ATOM 616 C GLU A 48 -9.206 -10.984 3.354 1.00 0.00 C ATOM 617 O GLU A 48 -9.179 -11.300 4.544 1.00 0.00 O ATOM 618 CB GLU A 48 -11.011 -11.270 1.657 1.00 0.00 C ATOM 619 CG GLU A 48 -11.763 -12.472 2.209 1.00 0.00 C ATOM 620 CD GLU A 48 -13.139 -12.128 2.727 1.00 0.00 C ATOM 621 OE1 GLU A 48 -13.254 -11.698 3.892 1.00 0.00 O ATOM 622 OE2 GLU A 48 -14.108 -12.278 1.960 1.00 0.00 O ATOM 0 H GLU A 48 -10.016 -9.118 1.071 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.181 -10.154 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.686 -10.697 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.200 -11.626 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.855 -13.225 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.180 -12.918 3.015 1.00 0.00 H new ATOM 629 N ASP A 49 -8.186 -11.154 2.526 1.00 0.00 N ATOM 630 CA ASP A 49 -6.921 -11.740 2.940 1.00 0.00 C ATOM 631 C ASP A 49 -5.999 -10.647 3.477 1.00 0.00 C ATOM 632 O ASP A 49 -4.934 -10.923 4.023 1.00 0.00 O ATOM 633 CB ASP A 49 -6.278 -12.420 1.725 1.00 0.00 C ATOM 634 CG ASP A 49 -5.098 -13.302 2.063 1.00 0.00 C ATOM 635 OD1 ASP A 49 -4.927 -13.659 3.242 1.00 0.00 O ATOM 636 OD2 ASP A 49 -4.359 -13.669 1.133 1.00 0.00 O ATOM 0 H ASP A 49 -8.214 -10.887 1.542 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.087 -12.474 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.033 -13.020 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.954 -11.653 1.022 1.00 0.00 H new ATOM 641 N HIS A 50 -6.416 -9.401 3.293 1.00 0.00 N ATOM 642 CA HIS A 50 -5.631 -8.244 3.721 1.00 0.00 C ATOM 643 C HIS A 50 -6.287 -7.535 4.905 1.00 0.00 C ATOM 644 O HIS A 50 -7.114 -6.640 4.712 1.00 0.00 O ATOM 645 CB HIS A 50 -5.501 -7.256 2.557 1.00 0.00 C ATOM 646 CG HIS A 50 -5.175 -7.899 1.243 1.00 0.00 C ATOM 647 ND1 HIS A 50 -3.962 -8.494 0.980 1.00 0.00 N ATOM 648 CD2 HIS A 50 -5.918 -8.048 0.116 1.00 0.00 C ATOM 649 CE1 HIS A 50 -3.965 -8.977 -0.248 1.00 0.00 C ATOM 650 NE2 HIS A 50 -5.140 -8.721 -0.798 1.00 0.00 N ATOM 0 H HIS A 50 -7.301 -9.162 2.846 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.648 -8.598 4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.435 -6.704 2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.725 -6.529 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.930 -7.703 -0.035 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.145 -9.495 -0.724 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -5.423 -8.980 -1.743 1.00 0.00 H new ATOM 658 N CYS A 51 -5.932 -7.922 6.125 1.00 0.00 N ATOM 659 CA CYS A 51 -6.523 -7.295 7.306 1.00 0.00 C ATOM 660 C CYS A 51 -5.491 -6.983 8.388 1.00 0.00 C ATOM 661 O CYS A 51 -5.665 -7.389 9.535 1.00 0.00 O ATOM 662 CB CYS A 51 -7.607 -8.197 7.908 1.00 0.00 C ATOM 663 SG CYS A 51 -9.035 -8.508 6.821 1.00 0.00 S ATOM 0 H CYS A 51 -5.250 -8.654 6.323 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.955 -6.354 6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.157 -9.153 8.175 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.964 -7.744 8.833 1.00 0.00 H new ATOM 668 N HIS A 52 -4.440 -6.240 8.062 1.00 0.00 N ATOM 669 CA HIS A 52 -3.449 -5.889 9.073 1.00 0.00 C ATOM 670 C HIS A 52 -3.432 -4.381 9.298 1.00 0.00 C ATOM 671 O HIS A 52 -3.585 -3.907 10.422 1.00 0.00 O ATOM 672 CB HIS A 52 -2.034 -6.349 8.708 1.00 0.00 C ATOM 673 CG HIS A 52 -1.890 -7.790 8.315 1.00 0.00 C ATOM 674 ND1 HIS A 52 -2.046 -8.230 7.021 1.00 0.00 N ATOM 675 CD2 HIS A 52 -1.534 -8.881 9.037 1.00 0.00 C ATOM 676 CE1 HIS A 52 -1.779 -9.521 6.955 1.00 0.00 C ATOM 677 NE2 HIS A 52 -1.469 -9.944 8.166 1.00 0.00 N ATOM 0 H HIS A 52 -4.253 -5.876 7.128 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.746 -6.410 9.984 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.674 -5.731 7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.381 -6.159 9.560 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.338 -8.910 10.099 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.809 -10.128 6.062 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.222 -10.902 8.415 1.00 0.00 H new ATOM 685 N GLY A 53 -3.247 -3.631 8.220 1.00 0.00 N ATOM 686 CA GLY A 53 -3.214 -2.184 8.317 1.00 0.00 C ATOM 687 C GLY A 53 -4.041 -1.523 7.236 1.00 0.00 C ATOM 688 O GLY A 53 -4.747 -2.220 6.512 1.00 0.00 O ATOM 0 H GLY A 53 -3.119 -3.999 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.585 -1.878 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.182 -1.840 8.245 1.00 0.00 H new ATOM 692 N VAL A 54 -3.924 -0.183 7.146 1.00 0.00 N ATOM 693 CA VAL A 54 -4.624 0.694 6.169 1.00 0.00 C ATOM 694 C VAL A 54 -6.117 0.396 5.945 1.00 0.00 C ATOM 695 O VAL A 54 -6.959 1.253 6.199 1.00 0.00 O ATOM 696 CB VAL A 54 -3.897 0.796 4.797 1.00 0.00 C ATOM 697 CG1 VAL A 54 -2.617 1.603 4.934 1.00 0.00 C ATOM 698 CG2 VAL A 54 -3.594 -0.563 4.193 1.00 0.00 C ATOM 0 H VAL A 54 -3.317 0.344 7.774 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.580 1.662 6.669 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.579 1.306 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.121 1.665 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.856 2.607 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.955 1.117 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.087 -0.431 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.952 -1.127 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.525 -1.108 4.038 1.00 0.00 H new ATOM 708 N CYS A 55 -6.455 -0.785 5.456 1.00 0.00 N ATOM 709 CA CYS A 55 -7.845 -1.123 5.201 1.00 0.00 C ATOM 710 C CYS A 55 -8.621 -1.299 6.496 1.00 0.00 C ATOM 711 O CYS A 55 -9.733 -0.789 6.629 1.00 0.00 O ATOM 712 CB CYS A 55 -7.949 -2.386 4.367 1.00 0.00 C ATOM 713 SG CYS A 55 -9.610 -2.674 3.691 1.00 0.00 S ATOM 0 H CYS A 55 -5.789 -1.523 5.228 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.283 -0.293 4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.236 -2.329 3.545 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.661 -3.241 4.979 1.00 0.00 H new ATOM 718 N LYS A 56 -8.046 -2.004 7.470 1.00 0.00 N ATOM 719 CA LYS A 56 -8.749 -2.186 8.732 1.00 0.00 C ATOM 720 C LYS A 56 -8.588 -0.963 9.627 1.00 0.00 C ATOM 721 O LYS A 56 -8.973 -0.977 10.790 1.00 0.00 O ATOM 722 CB LYS A 56 -8.366 -3.482 9.460 1.00 0.00 C ATOM 723 CG LYS A 56 -6.898 -3.624 9.827 1.00 0.00 C ATOM 724 CD LYS A 56 -6.720 -3.860 11.323 1.00 0.00 C ATOM 725 CE LYS A 56 -7.693 -4.906 11.865 1.00 0.00 C ATOM 726 NZ LYS A 56 -7.485 -6.257 11.264 1.00 0.00 N ATOM 0 H LYS A 56 -7.127 -2.443 7.412 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.806 -2.291 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.958 -3.553 10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.647 -4.327 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.461 -4.454 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.359 -2.724 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.697 -4.183 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.865 -2.921 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.581 -4.974 12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.715 -4.580 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.348 -6.551 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.691 -6.220 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.271 -6.943 12.016 1.00 0.00 H new ATOM 740 N ASP A 57 -8.092 0.127 9.046 1.00 0.00 N ATOM 741 CA ASP A 57 -7.981 1.385 9.766 1.00 0.00 C ATOM 742 C ASP A 57 -9.389 1.962 9.804 1.00 0.00 C ATOM 743 O ASP A 57 -9.786 2.669 10.730 1.00 0.00 O ATOM 744 CB ASP A 57 -7.010 2.335 9.053 1.00 0.00 C ATOM 745 CG ASP A 57 -6.782 3.630 9.799 1.00 0.00 C ATOM 746 OD1 ASP A 57 -7.701 4.471 9.836 1.00 0.00 O ATOM 747 OD2 ASP A 57 -5.682 3.805 10.351 1.00 0.00 O ATOM 0 H ASP A 57 -7.762 0.161 8.081 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.585 1.242 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.054 1.830 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.397 2.560 8.059 1.00 0.00 H new ATOM 752 N LEU A 58 -10.150 1.577 8.783 1.00 0.00 N ATOM 753 CA LEU A 58 -11.543 1.958 8.640 1.00 0.00 C ATOM 754 C LEU A 58 -12.423 0.817 9.139 1.00 0.00 C ATOM 755 O LEU A 58 -13.611 1.005 9.395 1.00 0.00 O ATOM 756 CB LEU A 58 -11.861 2.242 7.170 1.00 0.00 C ATOM 757 CG LEU A 58 -10.910 3.215 6.475 1.00 0.00 C ATOM 758 CD1 LEU A 58 -11.180 3.245 4.981 1.00 0.00 C ATOM 759 CD2 LEU A 58 -11.044 4.607 7.072 1.00 0.00 C ATOM 0 H LEU A 58 -9.808 0.985 8.026 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.734 2.859 9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.853 1.299 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.874 2.639 7.104 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.887 2.872 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.494 3.943 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.034 2.248 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.207 3.565 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.360 5.288 6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.067 4.960 6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.801 4.572 8.134 1.00 0.00 H new ATOM 771 N HIS A 59 -11.805 -0.369 9.261 1.00 0.00 N ATOM 772 CA HIS A 59 -12.477 -1.593 9.720 1.00 0.00 C ATOM 773 C HIS A 59 -13.552 -2.026 8.732 1.00 0.00 C ATOM 774 O HIS A 59 -14.733 -1.717 8.909 1.00 0.00 O ATOM 775 CB HIS A 59 -13.082 -1.404 11.116 1.00 0.00 C ATOM 776 CG HIS A 59 -12.062 -1.218 12.193 1.00 0.00 C ATOM 777 ND1 HIS A 59 -11.156 -2.194 12.546 1.00 0.00 N ATOM 778 CD2 HIS A 59 -11.805 -0.160 12.996 1.00 0.00 C ATOM 779 CE1 HIS A 59 -10.383 -1.746 13.520 1.00 0.00 C ATOM 780 NE2 HIS A 59 -10.758 -0.514 13.812 1.00 0.00 N ATOM 0 H HIS A 59 -10.818 -0.505 9.042 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.724 -2.379 9.779 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.744 -0.538 11.101 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.697 -2.271 11.356 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.326 0.786 12.996 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.582 -2.293 13.995 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -10.338 0.079 14.528 1.00 0.00 H new ATOM 788 N LEU A 60 -13.138 -2.727 7.676 1.00 0.00 N ATOM 789 CA LEU A 60 -14.072 -3.169 6.652 1.00 0.00 C ATOM 790 C LEU A 60 -14.025 -4.684 6.402 1.00 0.00 C ATOM 791 O LEU A 60 -14.870 -5.209 5.677 1.00 0.00 O ATOM 792 CB LEU A 60 -13.815 -2.407 5.347 1.00 0.00 C ATOM 793 CG LEU A 60 -13.956 -0.881 5.447 1.00 0.00 C ATOM 794 CD1 LEU A 60 -13.582 -0.220 4.132 1.00 0.00 C ATOM 795 CD2 LEU A 60 -15.374 -0.495 5.846 1.00 0.00 C ATOM 0 H LEU A 60 -12.168 -2.997 7.512 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.073 -2.948 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.809 -2.642 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.508 -2.772 4.589 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.272 -0.529 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.689 0.861 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.549 -0.462 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.240 -0.583 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.451 0.590 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.076 -0.865 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.612 -0.934 6.815 1.00 0.00 H new ATOM 807 N CYS A 61 -13.068 -5.392 7.006 1.00 0.00 N ATOM 808 CA CYS A 61 -12.988 -6.848 6.830 1.00 0.00 C ATOM 809 C CYS A 61 -13.059 -7.554 8.175 1.00 0.00 C ATOM 810 O CYS A 61 -12.877 -6.882 9.207 1.00 0.00 O ATOM 811 CB CYS A 61 -11.710 -7.293 6.102 1.00 0.00 C ATOM 812 SG CYS A 61 -10.148 -6.806 6.915 1.00 0.00 S ATOM 813 OXT CYS A 61 -13.293 -8.777 8.189 1.00 0.00 O ATOM 0 H CYS A 61 -12.350 -4.993 7.610 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.841 -7.125 6.211 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.727 -8.378 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.722 -6.879 5.094 1.00 0.00 H new ATOM 1003 N CYS B 74 17.502 -10.746 6.066 1.00 0.00 N ATOM 1004 CA CYS B 74 16.501 -9.692 6.285 1.00 0.00 C ATOM 1005 C CYS B 74 15.332 -10.168 7.142 1.00 0.00 C ATOM 1006 O CYS B 74 14.171 -9.893 6.841 1.00 0.00 O ATOM 1007 CB CYS B 74 16.002 -9.066 4.970 1.00 0.00 C ATOM 1008 SG CYS B 74 15.350 -10.220 3.724 1.00 0.00 S ATOM 0 HA CYS B 74 17.016 -8.909 6.841 1.00 0.00 H new ATOM 0 HB2 CYS B 74 15.221 -8.344 5.209 1.00 0.00 H new ATOM 0 HB3 CYS B 74 16.825 -8.509 4.523 1.00 0.00 H new ATOM 1013 N ALA B 75 15.644 -10.869 8.227 1.00 0.00 N ATOM 1014 CA ALA B 75 14.622 -11.365 9.132 1.00 0.00 C ATOM 1015 C ALA B 75 14.646 -10.601 10.450 1.00 0.00 C ATOM 1016 O ALA B 75 13.918 -10.927 11.383 1.00 0.00 O ATOM 1017 CB ALA B 75 14.806 -12.856 9.381 1.00 0.00 C ATOM 0 H ALA B 75 16.599 -11.105 8.498 1.00 0.00 H new ATOM 0 HA ALA B 75 13.651 -11.208 8.663 1.00 0.00 H new ATOM 0 HB1 ALA B 75 14.031 -13.210 10.061 1.00 0.00 H new ATOM 0 HB2 ALA B 75 14.733 -13.394 8.436 1.00 0.00 H new ATOM 0 HB3 ALA B 75 15.786 -13.033 9.824 1.00 0.00 H new ATOM 1023 N ALA B 76 15.501 -9.588 10.517 1.00 0.00 N ATOM 1024 CA ALA B 76 15.647 -8.775 11.720 1.00 0.00 C ATOM 1025 C ALA B 76 14.403 -7.931 12.009 1.00 0.00 C ATOM 1026 O ALA B 76 13.626 -8.241 12.910 1.00 0.00 O ATOM 1027 CB ALA B 76 16.874 -7.883 11.595 1.00 0.00 C ATOM 0 H ALA B 76 16.108 -9.308 9.747 1.00 0.00 H new ATOM 0 HA ALA B 76 15.772 -9.456 12.562 1.00 0.00 H new ATOM 0 HB1 ALA B 76 16.978 -7.278 12.496 1.00 0.00 H new ATOM 0 HB2 ALA B 76 17.762 -8.502 11.469 1.00 0.00 H new ATOM 0 HB3 ALA B 76 16.762 -7.229 10.730 1.00 0.00 H new ATOM 1033 N ALA B 77 14.234 -6.850 11.258 1.00 0.00 N ATOM 1034 CA ALA B 77 13.100 -5.950 11.460 1.00 0.00 C ATOM 1035 C ALA B 77 11.924 -6.297 10.553 1.00 0.00 C ATOM 1036 O ALA B 77 10.830 -5.758 10.708 1.00 0.00 O ATOM 1037 CB ALA B 77 13.536 -4.512 11.220 1.00 0.00 C ATOM 0 H ALA B 77 14.864 -6.574 10.505 1.00 0.00 H new ATOM 0 HA ALA B 77 12.763 -6.068 12.490 1.00 0.00 H new ATOM 0 HB1 ALA B 77 12.688 -3.844 11.372 1.00 0.00 H new ATOM 0 HB2 ALA B 77 14.332 -4.252 11.918 1.00 0.00 H new ATOM 0 HB3 ALA B 77 13.901 -4.408 10.198 1.00 0.00 H new ATOM 1043 N ILE B 78 12.159 -7.186 9.604 1.00 0.00 N ATOM 1044 CA ILE B 78 11.130 -7.593 8.660 1.00 0.00 C ATOM 1045 C ILE B 78 10.324 -8.780 9.182 1.00 0.00 C ATOM 1046 O ILE B 78 9.095 -8.766 9.149 1.00 0.00 O ATOM 1047 CB ILE B 78 11.779 -7.896 7.290 1.00 0.00 C ATOM 1048 CG1 ILE B 78 12.095 -6.574 6.599 1.00 0.00 C ATOM 1049 CG2 ILE B 78 10.900 -8.764 6.400 1.00 0.00 C ATOM 1050 CD1 ILE B 78 12.968 -6.720 5.372 1.00 0.00 C ATOM 0 H ILE B 78 13.060 -7.643 9.465 1.00 0.00 H new ATOM 0 HA ILE B 78 10.422 -6.774 8.536 1.00 0.00 H new ATOM 0 HB ILE B 78 12.692 -8.466 7.465 1.00 0.00 H new ATOM 0 HG12 ILE B 78 11.160 -6.092 6.313 1.00 0.00 H new ATOM 0 HG13 ILE B 78 12.591 -5.913 7.310 1.00 0.00 H new ATOM 0 HG21 ILE B 78 11.407 -8.944 5.452 1.00 0.00 H new ATOM 0 HG22 ILE B 78 10.708 -9.716 6.895 1.00 0.00 H new ATOM 0 HG23 ILE B 78 9.954 -8.255 6.215 1.00 0.00 H new ATOM 0 HD11 ILE B 78 13.149 -5.738 4.935 1.00 0.00 H new ATOM 0 HD12 ILE B 78 13.919 -7.173 5.654 1.00 0.00 H new ATOM 0 HD13 ILE B 78 12.466 -7.355 4.642 1.00 0.00 H new ATOM 1062 N ALA B 79 11.013 -9.797 9.677 1.00 0.00 N ATOM 1063 CA ALA B 79 10.341 -10.972 10.210 1.00 0.00 C ATOM 1064 C ALA B 79 9.917 -10.756 11.657 1.00 0.00 C ATOM 1065 O ALA B 79 9.060 -11.469 12.178 1.00 0.00 O ATOM 1066 CB ALA B 79 11.228 -12.200 10.102 1.00 0.00 C ATOM 0 H ALA B 79 12.031 -9.833 9.721 1.00 0.00 H new ATOM 0 HA ALA B 79 9.445 -11.137 9.612 1.00 0.00 H new ATOM 0 HB1 ALA B 79 10.703 -13.065 10.507 1.00 0.00 H new ATOM 0 HB2 ALA B 79 11.472 -12.381 9.055 1.00 0.00 H new ATOM 0 HB3 ALA B 79 12.146 -12.036 10.666 1.00 0.00 H new ATOM 1072 N GLY B 80 10.521 -9.765 12.302 1.00 0.00 N ATOM 1073 CA GLY B 80 10.194 -9.473 13.682 1.00 0.00 C ATOM 1074 C GLY B 80 8.894 -8.715 13.816 1.00 0.00 C ATOM 1075 O GLY B 80 8.227 -8.791 14.847 1.00 0.00 O ATOM 0 H GLY B 80 11.232 -9.159 11.892 1.00 0.00 H new ATOM 0 HA2 GLY B 80 10.127 -10.406 14.242 1.00 0.00 H new ATOM 0 HA3 GLY B 80 11.000 -8.890 14.128 1.00 0.00 H new ATOM 1079 N ALA B 81 8.524 -7.985 12.770 1.00 0.00 N ATOM 1080 CA ALA B 81 7.290 -7.219 12.784 1.00 0.00 C ATOM 1081 C ALA B 81 6.097 -8.097 12.423 1.00 0.00 C ATOM 1082 O ALA B 81 4.943 -7.689 12.566 1.00 0.00 O ATOM 1083 CB ALA B 81 7.385 -6.036 11.838 1.00 0.00 C ATOM 0 H ALA B 81 9.061 -7.909 11.906 1.00 0.00 H new ATOM 0 HA ALA B 81 7.139 -6.842 13.796 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.451 -5.475 11.863 1.00 0.00 H new ATOM 0 HB2 ALA B 81 8.206 -5.388 12.146 1.00 0.00 H new ATOM 0 HB3 ALA B 81 7.567 -6.394 10.825 1.00 0.00 H new ATOM 1089 N VAL B 82 6.382 -9.310 11.966 1.00 0.00 N ATOM 1090 CA VAL B 82 5.352 -10.253 11.602 1.00 0.00 C ATOM 1091 C VAL B 82 4.598 -10.712 12.851 1.00 0.00 C ATOM 1092 O VAL B 82 3.380 -10.893 12.825 1.00 0.00 O ATOM 1093 CB VAL B 82 5.977 -11.463 10.878 1.00 0.00 C ATOM 1094 CG1 VAL B 82 4.948 -12.537 10.625 1.00 0.00 C ATOM 1095 CG2 VAL B 82 6.621 -11.026 9.572 1.00 0.00 C ATOM 0 H VAL B 82 7.332 -9.659 11.840 1.00 0.00 H new ATOM 0 HA VAL B 82 4.647 -9.767 10.927 1.00 0.00 H new ATOM 0 HB VAL B 82 6.748 -11.881 11.525 1.00 0.00 H new ATOM 0 HG11 VAL B 82 5.417 -13.377 10.113 1.00 0.00 H new ATOM 0 HG12 VAL B 82 4.534 -12.876 11.575 1.00 0.00 H new ATOM 0 HG13 VAL B 82 4.148 -12.135 10.004 1.00 0.00 H new ATOM 0 HG21 VAL B 82 7.057 -11.892 9.074 1.00 0.00 H new ATOM 0 HG22 VAL B 82 5.866 -10.578 8.926 1.00 0.00 H new ATOM 0 HG23 VAL B 82 7.402 -10.294 9.778 1.00 0.00 H new ATOM 1105 N ALA B 83 5.336 -10.871 13.948 1.00 0.00 N ATOM 1106 CA ALA B 83 4.760 -11.289 15.221 1.00 0.00 C ATOM 1107 C ALA B 83 4.092 -10.118 15.944 1.00 0.00 C ATOM 1108 O ALA B 83 3.716 -10.230 17.112 1.00 0.00 O ATOM 1109 CB ALA B 83 5.835 -11.911 16.102 1.00 0.00 C ATOM 0 H ALA B 83 6.343 -10.714 13.978 1.00 0.00 H new ATOM 0 HA ALA B 83 3.991 -12.034 15.015 1.00 0.00 H new ATOM 0 HB1 ALA B 83 5.395 -12.220 17.050 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.260 -12.780 15.599 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.621 -11.179 16.288 1.00 0.00 H new ATOM 1115 N ALA B 84 3.948 -8.996 15.247 1.00 0.00 N ATOM 1116 CA ALA B 84 3.325 -7.810 15.813 1.00 0.00 C ATOM 1117 C ALA B 84 1.964 -7.554 15.179 1.00 0.00 C ATOM 1118 O ALA B 84 0.980 -7.320 15.877 1.00 0.00 O ATOM 1119 CB ALA B 84 4.223 -6.593 15.642 1.00 0.00 C ATOM 0 H ALA B 84 4.258 -8.885 14.282 1.00 0.00 H new ATOM 0 HA ALA B 84 3.180 -7.987 16.879 1.00 0.00 H new ATOM 0 HB1 ALA B 84 3.736 -5.718 16.073 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.172 -6.767 16.149 1.00 0.00 H new ATOM 0 HB3 ALA B 84 4.405 -6.421 14.581 1.00 0.00 H new ATOM 1125 N CYS B 85 1.910 -7.596 13.851 1.00 0.00 N ATOM 1126 CA CYS B 85 0.657 -7.362 13.138 1.00 0.00 C ATOM 1127 C CYS B 85 -0.122 -8.658 12.946 1.00 0.00 C ATOM 1128 O CYS B 85 -1.279 -8.637 12.525 1.00 0.00 O ATOM 1129 CB CYS B 85 0.923 -6.714 11.780 1.00 0.00 C ATOM 1130 SG CYS B 85 1.847 -5.146 11.869 1.00 0.00 S ATOM 0 H CYS B 85 2.712 -7.788 13.250 1.00 0.00 H new ATOM 0 HA CYS B 85 0.056 -6.685 13.746 1.00 0.00 H new ATOM 0 HB2 CYS B 85 1.479 -7.415 11.158 1.00 0.00 H new ATOM 0 HB3 CYS B 85 -0.030 -6.533 11.283 1.00 0.00 H new ATOM 1135 N GLY B 86 0.513 -9.784 13.256 1.00 0.00 N ATOM 1136 CA GLY B 86 -0.144 -11.070 13.113 1.00 0.00 C ATOM 1137 C GLY B 86 -0.023 -11.635 11.714 1.00 0.00 C ATOM 1138 O GLY B 86 -0.998 -12.138 11.151 1.00 0.00 O ATOM 0 H GLY B 86 1.471 -9.829 13.604 1.00 0.00 H new ATOM 0 HA2 GLY B 86 0.287 -11.775 13.824 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -1.198 -10.965 13.368 1.00 0.00 H new ATOM 1142 N GLY B 87 1.173 -11.555 11.151 1.00 0.00 N ATOM 1143 CA GLY B 87 1.396 -12.065 9.815 1.00 0.00 C ATOM 1144 C GLY B 87 2.147 -11.078 8.948 1.00 0.00 C ATOM 1145 O GLY B 87 2.392 -9.942 9.362 1.00 0.00 O ATOM 0 H GLY B 87 1.994 -11.145 11.596 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.958 -12.997 9.872 1.00 0.00 H new ATOM 0 HA3 GLY B 87 0.437 -12.298 9.352 1.00 0.00 H new ATOM 1149 N ILE B 88 2.509 -11.506 7.747 1.00 0.00 N ATOM 1150 CA ILE B 88 3.232 -10.655 6.810 1.00 0.00 C ATOM 1151 C ILE B 88 2.295 -9.653 6.151 1.00 0.00 C ATOM 1152 O ILE B 88 1.183 -9.994 5.747 1.00 0.00 O ATOM 1153 CB ILE B 88 3.949 -11.496 5.724 1.00 0.00 C ATOM 1154 CG1 ILE B 88 4.339 -10.607 4.526 1.00 0.00 C ATOM 1155 CG2 ILE B 88 3.085 -12.685 5.307 1.00 0.00 C ATOM 1156 CD1 ILE B 88 4.176 -11.267 3.173 1.00 0.00 C ATOM 0 H ILE B 88 2.313 -12.443 7.396 1.00 0.00 H new ATOM 0 HA ILE B 88 3.985 -10.111 7.380 1.00 0.00 H new ATOM 0 HB ILE B 88 4.872 -11.902 6.139 1.00 0.00 H new ATOM 0 HG12 ILE B 88 3.733 -9.702 4.550 1.00 0.00 H new ATOM 0 HG13 ILE B 88 5.378 -10.298 4.642 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.606 -13.263 4.544 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.894 -13.317 6.174 1.00 0.00 H new ATOM 0 HG23 ILE B 88 2.138 -12.324 4.905 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.473 -10.570 2.390 1.00 0.00 H new ATOM 0 HD12 ILE B 88 4.804 -12.157 3.124 1.00 0.00 H new ATOM 0 HD13 ILE B 88 3.133 -11.551 3.030 1.00 0.00 H new ATOM 1168 N ASP B 89 2.766 -8.420 6.051 1.00 0.00 N ATOM 1169 CA ASP B 89 2.001 -7.346 5.449 1.00 0.00 C ATOM 1170 C ASP B 89 2.956 -6.287 4.893 1.00 0.00 C ATOM 1171 O ASP B 89 3.831 -6.589 4.085 1.00 0.00 O ATOM 1172 CB ASP B 89 1.068 -6.726 6.501 1.00 0.00 C ATOM 1173 CG ASP B 89 0.020 -5.814 5.907 1.00 0.00 C ATOM 1174 OD1 ASP B 89 -0.314 -5.983 4.722 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -0.471 -4.928 6.633 1.00 0.00 O ATOM 0 H ASP B 89 3.688 -8.139 6.385 1.00 0.00 H new ATOM 0 HA ASP B 89 1.397 -7.739 4.632 1.00 0.00 H new ATOM 0 HB2 ASP B 89 0.573 -7.525 7.054 1.00 0.00 H new ATOM 0 HB3 ASP B 89 1.665 -6.163 7.219 1.00 0.00 H new ATOM 1180 N LEU B 90 2.777 -5.061 5.370 1.00 0.00 N ATOM 1181 CA LEU B 90 3.587 -3.900 4.990 1.00 0.00 C ATOM 1182 C LEU B 90 2.985 -2.630 5.603 1.00 0.00 C ATOM 1183 O LEU B 90 3.662 -1.937 6.356 1.00 0.00 O ATOM 1184 CB LEU B 90 3.726 -3.760 3.463 1.00 0.00 C ATOM 1185 CG LEU B 90 4.481 -2.513 2.983 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.866 -2.427 3.613 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.593 -2.515 1.468 1.00 0.00 C ATOM 0 H LEU B 90 2.049 -4.837 6.048 1.00 0.00 H new ATOM 0 HA LEU B 90 4.593 -4.050 5.382 1.00 0.00 H new ATOM 0 HB2 LEU B 90 4.236 -4.643 3.079 1.00 0.00 H new ATOM 0 HB3 LEU B 90 2.729 -3.752 3.023 1.00 0.00 H new ATOM 0 HG LEU B 90 3.913 -1.637 3.297 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.375 -1.533 3.253 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.770 -2.378 4.698 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.445 -3.309 3.340 1.00 0.00 H new ATOM 0 HD21 LEU B 90 5.131 -1.625 1.142 1.00 0.00 H new ATOM 0 HD22 LEU B 90 5.134 -3.404 1.144 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.595 -2.517 1.029 1.00 0.00 H new ATOM 1199 N PRO B 91 1.695 -2.302 5.309 1.00 0.00 N ATOM 1200 CA PRO B 91 1.029 -1.109 5.867 1.00 0.00 C ATOM 1201 C PRO B 91 1.087 -1.052 7.389 1.00 0.00 C ATOM 1202 O PRO B 91 1.016 0.020 7.985 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.422 -1.258 5.418 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.368 -2.123 4.212 1.00 0.00 C ATOM 1205 CD PRO B 91 0.786 -3.057 4.419 1.00 0.00 C ATOM 0 HA PRO B 91 1.514 -0.195 5.524 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -1.032 -1.710 6.200 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.865 -0.289 5.188 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -1.299 -2.676 4.088 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -0.229 -1.526 3.311 1.00 0.00 H new ATOM 0 HD2 PRO B 91 0.466 -3.994 4.875 1.00 0.00 H new ATOM 0 HD3 PRO B 91 1.269 -3.311 3.476 1.00 0.00 H new ATOM 1213 N CYS B 92 1.211 -2.213 8.010 1.00 0.00 N ATOM 1214 CA CYS B 92 1.283 -2.301 9.454 1.00 0.00 C ATOM 1215 C CYS B 92 2.702 -2.660 9.894 1.00 0.00 C ATOM 1216 O CYS B 92 3.175 -2.219 10.940 1.00 0.00 O ATOM 1217 CB CYS B 92 0.283 -3.345 9.968 1.00 0.00 C ATOM 1218 SG CYS B 92 0.411 -3.710 11.753 1.00 0.00 S ATOM 0 H CYS B 92 1.264 -3.112 7.531 1.00 0.00 H new ATOM 0 HA CYS B 92 1.025 -1.331 9.879 1.00 0.00 H new ATOM 0 HB2 CYS B 92 -0.727 -2.997 9.754 1.00 0.00 H new ATOM 0 HB3 CYS B 92 0.426 -4.271 9.411 1.00 0.00 H new ATOM 1223 N VAL B 93 3.366 -3.479 9.083 1.00 0.00 N ATOM 1224 CA VAL B 93 4.715 -3.941 9.353 1.00 0.00 C ATOM 1225 C VAL B 93 5.768 -2.827 9.208 1.00 0.00 C ATOM 1226 O VAL B 93 6.895 -2.965 9.690 1.00 0.00 O ATOM 1227 CB VAL B 93 5.034 -5.111 8.394 1.00 0.00 C ATOM 1228 CG1 VAL B 93 6.373 -5.730 8.702 1.00 0.00 C ATOM 1229 CG2 VAL B 93 3.943 -6.167 8.469 1.00 0.00 C ATOM 0 H VAL B 93 2.975 -3.841 8.213 1.00 0.00 H new ATOM 0 HA VAL B 93 4.760 -4.270 10.391 1.00 0.00 H new ATOM 0 HB VAL B 93 5.075 -4.707 7.382 1.00 0.00 H new ATOM 0 HG11 VAL B 93 6.564 -6.549 8.008 1.00 0.00 H new ATOM 0 HG12 VAL B 93 7.154 -4.977 8.598 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.371 -6.112 9.723 1.00 0.00 H new ATOM 0 HG21 VAL B 93 4.181 -6.985 7.789 1.00 0.00 H new ATOM 0 HG22 VAL B 93 3.877 -6.550 9.487 1.00 0.00 H new ATOM 0 HG23 VAL B 93 2.988 -5.725 8.185 1.00 0.00 H new ATOM 1239 N LEU B 94 5.406 -1.726 8.549 1.00 0.00 N ATOM 1240 CA LEU B 94 6.335 -0.608 8.347 1.00 0.00 C ATOM 1241 C LEU B 94 6.792 0.000 9.681 1.00 0.00 C ATOM 1242 O LEU B 94 7.795 0.712 9.735 1.00 0.00 O ATOM 1243 CB LEU B 94 5.697 0.483 7.465 1.00 0.00 C ATOM 1244 CG LEU B 94 4.938 1.598 8.205 1.00 0.00 C ATOM 1245 CD1 LEU B 94 4.533 2.696 7.237 1.00 0.00 C ATOM 1246 CD2 LEU B 94 3.711 1.054 8.917 1.00 0.00 C ATOM 0 H LEU B 94 4.480 -1.582 8.146 1.00 0.00 H new ATOM 0 HA LEU B 94 7.212 -1.008 7.839 1.00 0.00 H new ATOM 0 HB2 LEU B 94 6.483 0.943 6.867 1.00 0.00 H new ATOM 0 HB3 LEU B 94 5.008 0.002 6.770 1.00 0.00 H new ATOM 0 HG LEU B 94 5.610 2.014 8.956 1.00 0.00 H new ATOM 0 HD11 LEU B 94 3.997 3.477 7.776 1.00 0.00 H new ATOM 0 HD12 LEU B 94 5.424 3.120 6.775 1.00 0.00 H new ATOM 0 HD13 LEU B 94 3.887 2.280 6.464 1.00 0.00 H new ATOM 0 HD21 LEU B 94 3.197 1.867 9.430 1.00 0.00 H new ATOM 0 HD22 LEU B 94 3.038 0.602 8.188 1.00 0.00 H new ATOM 0 HD23 LEU B 94 4.016 0.302 9.644 1.00 0.00 H new ATOM 1258 N ALA B 95 6.044 -0.282 10.751 1.00 0.00 N ATOM 1259 CA ALA B 95 6.355 0.237 12.083 1.00 0.00 C ATOM 1260 C ALA B 95 7.726 -0.219 12.574 1.00 0.00 C ATOM 1261 O ALA B 95 8.417 0.517 13.275 1.00 0.00 O ATOM 1262 CB ALA B 95 5.284 -0.181 13.078 1.00 0.00 C ATOM 0 H ALA B 95 5.212 -0.872 10.718 1.00 0.00 H new ATOM 0 HA ALA B 95 6.377 1.324 12.006 1.00 0.00 H new ATOM 0 HB1 ALA B 95 5.530 0.213 14.064 1.00 0.00 H new ATOM 0 HB2 ALA B 95 4.319 0.213 12.760 1.00 0.00 H new ATOM 0 HB3 ALA B 95 5.235 -1.269 13.124 1.00 0.00 H new ATOM 1268 N ALA B 96 8.123 -1.430 12.209 1.00 0.00 N ATOM 1269 CA ALA B 96 9.418 -1.953 12.624 1.00 0.00 C ATOM 1270 C ALA B 96 10.433 -1.830 11.496 1.00 0.00 C ATOM 1271 O ALA B 96 11.607 -2.153 11.666 1.00 0.00 O ATOM 1272 CB ALA B 96 9.295 -3.400 13.073 1.00 0.00 C ATOM 0 H ALA B 96 7.572 -2.065 11.631 1.00 0.00 H new ATOM 0 HA ALA B 96 9.769 -1.360 13.469 1.00 0.00 H new ATOM 0 HB1 ALA B 96 10.273 -3.771 13.379 1.00 0.00 H new ATOM 0 HB2 ALA B 96 8.604 -3.463 13.914 1.00 0.00 H new ATOM 0 HB3 ALA B 96 8.919 -4.006 12.249 1.00 0.00 H new ATOM 1278 N LEU B 97 9.972 -1.356 10.345 1.00 0.00 N ATOM 1279 CA LEU B 97 10.833 -1.183 9.181 1.00 0.00 C ATOM 1280 C LEU B 97 11.397 0.239 9.142 1.00 0.00 C ATOM 1281 O LEU B 97 12.110 0.616 8.212 1.00 0.00 O ATOM 1282 CB LEU B 97 10.045 -1.486 7.899 1.00 0.00 C ATOM 1283 CG LEU B 97 10.881 -1.627 6.621 1.00 0.00 C ATOM 1284 CD1 LEU B 97 11.800 -2.836 6.702 1.00 0.00 C ATOM 1285 CD2 LEU B 97 9.976 -1.729 5.405 1.00 0.00 C ATOM 0 H LEU B 97 9.001 -1.083 10.192 1.00 0.00 H new ATOM 0 HA LEU B 97 11.668 -1.880 9.252 1.00 0.00 H new ATOM 0 HB2 LEU B 97 9.485 -2.409 8.048 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.315 -0.691 7.747 1.00 0.00 H new ATOM 0 HG LEU B 97 11.501 -0.736 6.521 1.00 0.00 H new ATOM 0 HD11 LEU B 97 12.382 -2.913 5.783 1.00 0.00 H new ATOM 0 HD12 LEU B 97 12.475 -2.724 7.550 1.00 0.00 H new ATOM 0 HD13 LEU B 97 11.203 -3.739 6.830 1.00 0.00 H new ATOM 0 HD21 LEU B 97 10.584 -1.829 4.506 1.00 0.00 H new ATOM 0 HD22 LEU B 97 9.330 -2.601 5.504 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.363 -0.830 5.331 1.00 0.00 H new ATOM 1297 N LYS B 98 11.076 1.027 10.166 1.00 0.00 N ATOM 1298 CA LYS B 98 11.558 2.401 10.251 1.00 0.00 C ATOM 1299 C LYS B 98 13.026 2.425 10.665 1.00 0.00 C ATOM 1300 O LYS B 98 13.446 1.652 11.532 1.00 0.00 O ATOM 1301 CB LYS B 98 10.717 3.212 11.244 1.00 0.00 C ATOM 1302 CG LYS B 98 11.153 4.664 11.354 1.00 0.00 C ATOM 1303 CD LYS B 98 10.177 5.485 12.174 1.00 0.00 C ATOM 1304 CE LYS B 98 8.833 5.607 11.473 1.00 0.00 C ATOM 1305 NZ LYS B 98 7.973 6.641 12.100 1.00 0.00 N ATOM 0 H LYS B 98 10.486 0.737 10.946 1.00 0.00 H new ATOM 0 HA LYS B 98 11.462 2.856 9.265 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.671 3.176 10.939 1.00 0.00 H new ATOM 0 HB3 LYS B 98 10.778 2.746 12.227 1.00 0.00 H new ATOM 0 HG2 LYS B 98 12.142 4.713 11.810 1.00 0.00 H new ATOM 0 HG3 LYS B 98 11.241 5.094 10.356 1.00 0.00 H new ATOM 0 HD2 LYS B 98 10.039 5.021 13.151 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.590 6.478 12.348 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.992 5.855 10.424 1.00 0.00 H new ATOM 0 HE3 LYS B 98 8.321 4.645 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 7.067 6.693 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 7.800 6.392 13.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.449 7.564 12.053 1.00 0.00 H new ATOM 1361 N CYS B 103 16.767 -1.402 4.759 1.00 0.00 N ATOM 1362 CA CYS B 103 16.758 -2.863 4.639 1.00 0.00 C ATOM 1363 C CYS B 103 15.518 -3.347 3.893 1.00 0.00 C ATOM 1364 O CYS B 103 14.954 -4.391 4.221 1.00 0.00 O ATOM 1365 CB CYS B 103 16.819 -3.533 6.018 1.00 0.00 C ATOM 1366 SG CYS B 103 18.304 -3.151 7.012 1.00 0.00 S ATOM 0 HA CYS B 103 17.645 -3.144 4.070 1.00 0.00 H new ATOM 0 HB2 CYS B 103 15.937 -3.237 6.586 1.00 0.00 H new ATOM 0 HB3 CYS B 103 16.763 -4.613 5.881 1.00 0.00 H new ATOM 0 HG CYS B 103 18.235 -3.773 8.151 1.00 0.00 H new ATOM 1371 N ALA B 104 15.097 -2.594 2.883 1.00 0.00 N ATOM 1372 CA ALA B 104 13.922 -2.964 2.101 1.00 0.00 C ATOM 1373 C ALA B 104 14.315 -3.567 0.758 1.00 0.00 C ATOM 1374 O ALA B 104 13.512 -3.595 -0.173 1.00 0.00 O ATOM 1375 CB ALA B 104 13.021 -1.757 1.891 1.00 0.00 C ATOM 0 H ALA B 104 15.548 -1.728 2.587 1.00 0.00 H new ATOM 0 HA ALA B 104 13.375 -3.721 2.663 1.00 0.00 H new ATOM 0 HB1 ALA B 104 12.150 -2.051 1.306 1.00 0.00 H new ATOM 0 HB2 ALA B 104 12.696 -1.373 2.858 1.00 0.00 H new ATOM 0 HB3 ALA B 104 13.571 -0.981 1.358 1.00 0.00 H new ATOM 1381 N SER B 105 15.550 -4.046 0.669 1.00 0.00 N ATOM 1382 CA SER B 105 16.062 -4.650 -0.558 1.00 0.00 C ATOM 1383 C SER B 105 15.390 -5.991 -0.855 1.00 0.00 C ATOM 1384 O SER B 105 15.215 -6.361 -2.012 1.00 0.00 O ATOM 1385 CB SER B 105 17.577 -4.819 -0.455 1.00 0.00 C ATOM 1386 OG SER B 105 17.975 -5.039 0.892 1.00 0.00 O ATOM 0 H SER B 105 16.221 -4.028 1.437 1.00 0.00 H new ATOM 0 HA SER B 105 15.828 -3.983 -1.387 1.00 0.00 H new ATOM 0 HB2 SER B 105 17.896 -5.658 -1.074 1.00 0.00 H new ATOM 0 HB3 SER B 105 18.073 -3.930 -0.844 1.00 0.00 H new ATOM 0 HG SER B 105 18.177 -4.180 1.318 1.00 0.00 H new ATOM 1392 N CYS B 106 15.008 -6.720 0.184 1.00 0.00 N ATOM 1393 CA CYS B 106 14.351 -8.010 -0.016 1.00 0.00 C ATOM 1394 C CYS B 106 12.853 -7.876 0.193 1.00 0.00 C ATOM 1395 O CYS B 106 12.060 -8.623 -0.377 1.00 0.00 O ATOM 1396 CB CYS B 106 14.896 -9.066 0.948 1.00 0.00 C ATOM 1397 SG CYS B 106 14.151 -9.021 2.611 1.00 0.00 S ATOM 0 H CYS B 106 15.137 -6.449 1.159 1.00 0.00 H new ATOM 0 HA CYS B 106 14.555 -8.327 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS B 106 14.733 -10.054 0.516 1.00 0.00 H new ATOM 0 HB3 CYS B 106 15.974 -8.933 1.042 1.00 0.00 H new ATOM 1402 N PHE B 107 12.483 -6.936 1.044 1.00 0.00 N ATOM 1403 CA PHE B 107 11.090 -6.706 1.382 1.00 0.00 C ATOM 1404 C PHE B 107 10.384 -5.848 0.339 1.00 0.00 C ATOM 1405 O PHE B 107 9.815 -6.372 -0.617 1.00 0.00 O ATOM 1406 CB PHE B 107 11.022 -6.042 2.750 1.00 0.00 C ATOM 1407 CG PHE B 107 9.679 -6.099 3.405 1.00 0.00 C ATOM 1408 CD1 PHE B 107 8.582 -6.655 2.765 1.00 0.00 C ATOM 1409 CD2 PHE B 107 9.524 -5.598 4.678 1.00 0.00 C ATOM 1410 CE1 PHE B 107 7.357 -6.703 3.389 1.00 0.00 C ATOM 1411 CE2 PHE B 107 8.309 -5.642 5.308 1.00 0.00 C ATOM 1412 CZ PHE B 107 7.217 -6.195 4.661 1.00 0.00 C ATOM 0 H PHE B 107 13.137 -6.313 1.518 1.00 0.00 H new ATOM 0 HA PHE B 107 10.574 -7.666 1.403 1.00 0.00 H new ATOM 0 HB2 PHE B 107 11.752 -6.517 3.406 1.00 0.00 H new ATOM 0 HB3 PHE B 107 11.317 -4.998 2.647 1.00 0.00 H new ATOM 0 HD1 PHE B 107 8.690 -7.054 1.767 1.00 0.00 H new ATOM 0 HD2 PHE B 107 10.372 -5.164 5.187 1.00 0.00 H new ATOM 0 HE1 PHE B 107 6.508 -7.138 2.883 1.00 0.00 H new ATOM 0 HE2 PHE B 107 8.203 -5.246 6.307 1.00 0.00 H new ATOM 0 HZ PHE B 107 6.256 -6.228 5.154 1.00 0.00 H new ATOM 1422 N CYS B 108 10.404 -4.531 0.546 1.00 0.00 N ATOM 1423 CA CYS B 108 9.743 -3.579 -0.352 1.00 0.00 C ATOM 1424 C CYS B 108 10.444 -3.462 -1.691 1.00 0.00 C ATOM 1425 O CYS B 108 10.578 -2.372 -2.224 1.00 0.00 O ATOM 1426 CB CYS B 108 9.714 -2.193 0.275 1.00 0.00 C ATOM 1427 SG CYS B 108 9.046 -2.136 1.961 1.00 0.00 S ATOM 0 H CYS B 108 10.876 -4.094 1.337 1.00 0.00 H new ATOM 0 HA CYS B 108 8.735 -3.961 -0.511 1.00 0.00 H new ATOM 0 HB2 CYS B 108 10.728 -1.794 0.287 1.00 0.00 H new ATOM 0 HB3 CYS B 108 9.120 -1.535 -0.359 1.00 0.00 H new ATOM 1432 N GLU B 109 10.883 -4.567 -2.236 1.00 0.00 N ATOM 1433 CA GLU B 109 11.555 -4.547 -3.509 1.00 0.00 C ATOM 1434 C GLU B 109 10.530 -4.392 -4.620 1.00 0.00 C ATOM 1435 O GLU B 109 10.620 -3.495 -5.456 1.00 0.00 O ATOM 1436 CB GLU B 109 12.337 -5.844 -3.683 1.00 0.00 C ATOM 1437 CG GLU B 109 13.294 -5.840 -4.867 1.00 0.00 C ATOM 1438 CD GLU B 109 14.385 -4.797 -4.753 1.00 0.00 C ATOM 1439 OE1 GLU B 109 14.063 -3.596 -4.709 1.00 0.00 O ATOM 1440 OE2 GLU B 109 15.571 -5.181 -4.725 1.00 0.00 O ATOM 0 H GLU B 109 10.787 -5.492 -1.818 1.00 0.00 H new ATOM 0 HA GLU B 109 12.248 -3.706 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU B 109 12.904 -6.039 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU B 109 11.632 -6.667 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.751 -6.825 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU B 109 12.728 -5.665 -5.782 1.00 0.00 H new ATOM 1447 N ASP B 110 9.546 -5.275 -4.608 1.00 0.00 N ATOM 1448 CA ASP B 110 8.483 -5.256 -5.599 1.00 0.00 C ATOM 1449 C ASP B 110 7.258 -4.545 -5.028 1.00 0.00 C ATOM 1450 O ASP B 110 6.223 -4.428 -5.682 1.00 0.00 O ATOM 1451 CB ASP B 110 8.130 -6.691 -5.990 1.00 0.00 C ATOM 1452 CG ASP B 110 7.531 -6.802 -7.369 1.00 0.00 C ATOM 1453 OD1 ASP B 110 7.472 -5.782 -8.080 1.00 0.00 O ATOM 1454 OD2 ASP B 110 7.137 -7.921 -7.748 1.00 0.00 O ATOM 0 H ASP B 110 9.461 -6.020 -3.917 1.00 0.00 H new ATOM 0 HA ASP B 110 8.817 -4.717 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP B 110 9.029 -7.305 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP B 110 7.427 -7.096 -5.262 1.00 0.00 H new ATOM 1459 N HIS B 111 7.396 -4.076 -3.792 1.00 0.00 N ATOM 1460 CA HIS B 111 6.319 -3.374 -3.093 1.00 0.00 C ATOM 1461 C HIS B 111 6.706 -1.910 -2.902 1.00 0.00 C ATOM 1462 O HIS B 111 7.326 -1.561 -1.893 1.00 0.00 O ATOM 1463 CB HIS B 111 6.073 -4.012 -1.716 1.00 0.00 C ATOM 1464 CG HIS B 111 6.107 -5.514 -1.706 1.00 0.00 C ATOM 1465 ND1 HIS B 111 5.251 -6.289 -2.455 1.00 0.00 N ATOM 1466 CD2 HIS B 111 6.896 -6.386 -1.024 1.00 0.00 C ATOM 1467 CE1 HIS B 111 5.502 -7.567 -2.237 1.00 0.00 C ATOM 1468 NE2 HIS B 111 6.497 -7.656 -1.373 1.00 0.00 N ATOM 0 H HIS B 111 8.253 -4.170 -3.246 1.00 0.00 H new ATOM 0 HA HIS B 111 5.409 -3.445 -3.689 1.00 0.00 H new ATOM 0 HB2 HIS B 111 6.824 -3.640 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS B 111 5.103 -3.681 -1.345 1.00 0.00 H new ATOM 0 HD2 HIS B 111 7.688 -6.130 -0.336 1.00 0.00 H new ATOM 0 HE1 HIS B 111 4.982 -8.399 -2.689 1.00 0.00 H new ATOM 0 HE2 HIS B 111 6.903 -8.523 -1.022 1.00 0.00 H new ATOM 1476 N CYS B 112 6.385 -1.053 -3.870 1.00 0.00 N ATOM 1477 CA CYS B 112 6.772 0.355 -3.763 1.00 0.00 C ATOM 1478 C CYS B 112 5.675 1.349 -4.145 1.00 0.00 C ATOM 1479 O CYS B 112 5.957 2.318 -4.851 1.00 0.00 O ATOM 1480 CB CYS B 112 7.998 0.620 -4.641 1.00 0.00 C ATOM 1481 SG CYS B 112 9.479 -0.314 -4.157 1.00 0.00 S ATOM 0 H CYS B 112 5.872 -1.298 -4.717 1.00 0.00 H new ATOM 0 HA CYS B 112 6.985 0.518 -2.707 1.00 0.00 H new ATOM 0 HB2 CYS B 112 7.750 0.376 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS B 112 8.228 1.685 -4.611 1.00 0.00 H new ATOM 1486 N HIS B 113 4.447 1.182 -3.661 1.00 0.00 N ATOM 1487 CA HIS B 113 3.423 2.163 -3.983 1.00 0.00 C ATOM 1488 C HIS B 113 2.605 2.551 -2.765 1.00 0.00 C ATOM 1489 O HIS B 113 1.720 3.396 -2.850 1.00 0.00 O ATOM 1490 CB HIS B 113 2.526 1.738 -5.162 1.00 0.00 C ATOM 1491 CG HIS B 113 1.564 0.595 -4.948 1.00 0.00 C ATOM 1492 ND1 HIS B 113 0.617 0.561 -3.943 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.343 -0.511 -5.698 1.00 0.00 C ATOM 1494 CE1 HIS B 113 -0.143 -0.515 -4.089 1.00 0.00 C ATOM 1495 NE2 HIS B 113 0.279 -1.184 -5.145 1.00 0.00 N ATOM 0 H HIS B 113 4.147 0.408 -3.068 1.00 0.00 H new ATOM 0 HA HIS B 113 3.957 3.053 -4.315 1.00 0.00 H new ATOM 0 HB2 HIS B 113 1.946 2.608 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS B 113 3.175 1.475 -5.997 1.00 0.00 H new ATOM 0 HD2 HIS B 113 1.902 -0.810 -6.573 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -0.968 -0.797 -3.451 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -0.118 -2.056 -5.494 1.00 0.00 H new ATOM 1503 N GLY B 114 2.920 1.957 -1.624 1.00 0.00 N ATOM 1504 CA GLY B 114 2.200 2.289 -0.416 1.00 0.00 C ATOM 1505 C GLY B 114 3.012 2.037 0.834 1.00 0.00 C ATOM 1506 O GLY B 114 3.796 1.090 0.865 1.00 0.00 O ATOM 0 H GLY B 114 3.654 1.258 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.907 3.338 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY B 114 1.282 1.703 -0.372 1.00 0.00 H new ATOM 1510 N VAL B 115 2.792 2.903 1.847 1.00 0.00 N ATOM 1511 CA VAL B 115 3.442 2.888 3.185 1.00 0.00 C ATOM 1512 C VAL B 115 4.978 2.797 3.186 1.00 0.00 C ATOM 1513 O VAL B 115 5.632 3.563 3.887 1.00 0.00 O ATOM 1514 CB VAL B 115 2.857 1.819 4.153 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.405 2.118 4.480 1.00 0.00 C ATOM 1516 CG2 VAL B 115 2.982 0.412 3.613 1.00 0.00 C ATOM 0 H VAL B 115 2.126 3.670 1.754 1.00 0.00 H new ATOM 0 HA VAL B 115 3.192 3.881 3.558 1.00 0.00 H new ATOM 0 HB VAL B 115 3.452 1.875 5.065 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.020 1.356 5.158 1.00 0.00 H new ATOM 0 HG12 VAL B 115 1.333 3.096 4.955 1.00 0.00 H new ATOM 0 HG13 VAL B 115 0.818 2.117 3.562 1.00 0.00 H new ATOM 0 HG21 VAL B 115 2.558 -0.292 4.329 1.00 0.00 H new ATOM 0 HG22 VAL B 115 2.444 0.336 2.668 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.034 0.176 3.452 1.00 0.00 H new ATOM 1526 N CYS B 116 5.562 1.879 2.432 1.00 0.00 N ATOM 1527 CA CYS B 116 7.010 1.747 2.412 1.00 0.00 C ATOM 1528 C CYS B 116 7.627 2.891 1.629 1.00 0.00 C ATOM 1529 O CYS B 116 8.765 3.283 1.870 1.00 0.00 O ATOM 1530 CB CYS B 116 7.428 0.409 1.817 1.00 0.00 C ATOM 1531 SG CYS B 116 9.063 -0.155 2.380 1.00 0.00 S ATOM 0 H CYS B 116 5.063 1.222 1.833 1.00 0.00 H new ATOM 0 HA CYS B 116 7.372 1.786 3.439 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.683 -0.344 2.076 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.434 0.490 0.730 1.00 0.00 H new ATOM 1536 N LYS B 117 6.850 3.449 0.709 1.00 0.00 N ATOM 1537 CA LYS B 117 7.299 4.572 -0.083 1.00 0.00 C ATOM 1538 C LYS B 117 7.220 5.848 0.754 1.00 0.00 C ATOM 1539 O LYS B 117 7.938 6.816 0.502 1.00 0.00 O ATOM 1540 CB LYS B 117 6.465 4.679 -1.365 1.00 0.00 C ATOM 1541 CG LYS B 117 6.436 6.073 -1.953 1.00 0.00 C ATOM 1542 CD LYS B 117 5.868 6.103 -3.362 1.00 0.00 C ATOM 1543 CE LYS B 117 6.873 5.607 -4.391 1.00 0.00 C ATOM 1544 NZ LYS B 117 6.386 5.815 -5.780 1.00 0.00 N ATOM 0 H LYS B 117 5.903 3.136 0.497 1.00 0.00 H new ATOM 0 HA LYS B 117 8.337 4.425 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.865 3.989 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS B 117 5.444 4.362 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.839 6.721 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS B 117 7.447 6.479 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS B 117 4.971 5.486 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS B 117 5.567 7.121 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS B 117 7.820 6.129 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS B 117 7.067 4.547 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 7.097 5.465 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 5.495 5.296 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 6.225 6.829 -5.943 1.00 0.00 H new ATOM 1558 N ASP B 118 6.368 5.817 1.780 1.00 0.00 N ATOM 1559 CA ASP B 118 6.215 6.945 2.693 1.00 0.00 C ATOM 1560 C ASP B 118 7.527 7.157 3.436 1.00 0.00 C ATOM 1561 O ASP B 118 7.980 8.288 3.626 1.00 0.00 O ATOM 1562 CB ASP B 118 5.071 6.667 3.674 1.00 0.00 C ATOM 1563 CG ASP B 118 4.821 7.801 4.643 1.00 0.00 C ATOM 1564 OD1 ASP B 118 5.618 7.973 5.587 1.00 0.00 O ATOM 1565 OD2 ASP B 118 3.819 8.522 4.466 1.00 0.00 O ATOM 0 H ASP B 118 5.772 5.018 1.998 1.00 0.00 H new ATOM 0 HA ASP B 118 5.971 7.849 2.136 1.00 0.00 H new ATOM 0 HB2 ASP B 118 4.158 6.473 3.111 1.00 0.00 H new ATOM 0 HB3 ASP B 118 5.297 5.761 4.237 1.00 0.00 H new ATOM 1570 N LEU B 119 8.150 6.046 3.816 1.00 0.00 N ATOM 1571 CA LEU B 119 9.435 6.081 4.501 1.00 0.00 C ATOM 1572 C LEU B 119 10.547 6.244 3.470 1.00 0.00 C ATOM 1573 O LEU B 119 11.646 6.701 3.788 1.00 0.00 O ATOM 1574 CB LEU B 119 9.662 4.792 5.302 1.00 0.00 C ATOM 1575 CG LEU B 119 8.516 4.376 6.231 1.00 0.00 C ATOM 1576 CD1 LEU B 119 8.869 3.098 6.974 1.00 0.00 C ATOM 1577 CD2 LEU B 119 8.192 5.483 7.218 1.00 0.00 C ATOM 0 H LEU B 119 7.783 5.107 3.660 1.00 0.00 H new ATOM 0 HA LEU B 119 9.441 6.922 5.194 1.00 0.00 H new ATOM 0 HB2 LEU B 119 9.850 3.979 4.601 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.565 4.912 5.901 1.00 0.00 H new ATOM 0 HG LEU B 119 7.634 4.192 5.618 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.044 2.818 7.629 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.050 2.298 6.256 1.00 0.00 H new ATOM 0 HD13 LEU B 119 9.767 3.260 7.571 1.00 0.00 H new ATOM 0 HD21 LEU B 119 7.376 5.165 7.867 1.00 0.00 H new ATOM 0 HD22 LEU B 119 9.072 5.700 7.823 1.00 0.00 H new ATOM 0 HD23 LEU B 119 7.895 6.380 6.674 1.00 0.00 H new ATOM 1589 N HIS B 120 10.229 5.854 2.231 1.00 0.00 N ATOM 1590 CA HIS B 120 11.151 5.922 1.098 1.00 0.00 C ATOM 1591 C HIS B 120 12.331 4.981 1.321 1.00 0.00 C ATOM 1592 O HIS B 120 13.408 5.406 1.745 1.00 0.00 O ATOM 1593 CB HIS B 120 11.632 7.361 0.871 1.00 0.00 C ATOM 1594 CG HIS B 120 12.014 7.647 -0.546 1.00 0.00 C ATOM 1595 ND1 HIS B 120 13.033 6.992 -1.201 1.00 0.00 N ATOM 1596 CD2 HIS B 120 11.489 8.514 -1.442 1.00 0.00 C ATOM 1597 CE1 HIS B 120 13.121 7.445 -2.439 1.00 0.00 C ATOM 1598 NE2 HIS B 120 12.194 8.370 -2.613 1.00 0.00 N ATOM 0 H HIS B 120 9.313 5.478 1.987 1.00 0.00 H new ATOM 0 HA HIS B 120 10.621 5.603 0.201 1.00 0.00 H new ATOM 0 HB2 HIS B 120 10.844 8.051 1.172 1.00 0.00 H new ATOM 0 HB3 HIS B 120 12.489 7.555 1.516 1.00 0.00 H new ATOM 0 HD2 HIS B 120 10.668 9.194 -1.269 1.00 0.00 H new ATOM 0 HE1 HIS B 120 13.831 7.115 -3.183 1.00 0.00 H new ATOM 0 HE2 HIS B 120 12.029 8.891 -3.474 1.00 0.00 H new ATOM 1606 N LEU B 121 12.116 3.691 1.059 1.00 0.00 N ATOM 1607 CA LEU B 121 13.158 2.694 1.263 1.00 0.00 C ATOM 1608 C LEU B 121 13.468 1.883 -0.001 1.00 0.00 C ATOM 1609 O LEU B 121 14.415 1.097 -0.013 1.00 0.00 O ATOM 1610 CB LEU B 121 12.770 1.751 2.408 1.00 0.00 C ATOM 1611 CG LEU B 121 12.504 2.434 3.755 1.00 0.00 C ATOM 1612 CD1 LEU B 121 12.068 1.418 4.797 1.00 0.00 C ATOM 1613 CD2 LEU B 121 13.741 3.177 4.233 1.00 0.00 C ATOM 0 H LEU B 121 11.234 3.318 0.707 1.00 0.00 H new ATOM 0 HA LEU B 121 14.066 3.239 1.521 1.00 0.00 H new ATOM 0 HB2 LEU B 121 11.877 1.199 2.116 1.00 0.00 H new ATOM 0 HB3 LEU B 121 13.567 1.020 2.541 1.00 0.00 H new ATOM 0 HG LEU B 121 11.698 3.154 3.615 1.00 0.00 H new ATOM 0 HD11 LEU B 121 11.885 1.924 5.745 1.00 0.00 H new ATOM 0 HD12 LEU B 121 11.153 0.926 4.465 1.00 0.00 H new ATOM 0 HD13 LEU B 121 12.853 0.673 4.930 1.00 0.00 H new ATOM 0 HD21 LEU B 121 13.531 3.655 5.190 1.00 0.00 H new ATOM 0 HD22 LEU B 121 14.565 2.473 4.351 1.00 0.00 H new ATOM 0 HD23 LEU B 121 14.015 3.937 3.501 1.00 0.00 H new ATOM 1625 N CYS B 122 12.693 2.069 -1.066 1.00 0.00 N ATOM 1626 CA CYS B 122 12.943 1.343 -2.312 1.00 0.00 C ATOM 1627 C CYS B 122 12.877 2.287 -3.504 1.00 0.00 C ATOM 1628 O CYS B 122 12.620 3.487 -3.297 1.00 0.00 O ATOM 1629 CB CYS B 122 11.953 0.190 -2.519 1.00 0.00 C ATOM 1630 SG CYS B 122 10.203 0.696 -2.551 1.00 0.00 S ATOM 1631 OXT CYS B 122 13.090 1.823 -4.639 1.00 0.00 O ATOM 0 H CYS B 122 11.897 2.706 -1.095 1.00 0.00 H new ATOM 0 HA CYS B 122 13.944 0.919 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS B 122 12.190 -0.312 -3.457 1.00 0.00 H new ATOM 0 HB3 CYS B 122 12.093 -0.540 -1.722 1.00 0.00 H new