USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=7 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 -160:sc= -0.574 USER MOD Single : A 44 SER OG : rot -64:sc= 1.22 USER MOD Single : A 50 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-0.61) USER MOD Single : A 52 HIS : no HD1:sc= 0.654 K(o=0.65,f=-8.7!) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -0.0146 (180deg=-0.157) USER MOD Single : A 59 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.59) USER MOD Single : B 98 LYS NZ :NH3+ -133:sc= -0.156 (180deg=-0.653) USER MOD Single : B 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0.0158 USER MOD Single : B 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : B 113 HIS : no HD1:sc= 0.485 K(o=0.48,f=-5.1!) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-1) USER MOD ----------------------------------------------------------------- ATOM 185 N CYS A 13 -17.168 -5.746 -6.774 1.00 0.00 N ATOM 186 CA CYS A 13 -15.959 -5.139 -6.194 1.00 0.00 C ATOM 187 C CYS A 13 -15.233 -4.230 -7.188 1.00 0.00 C ATOM 188 O CYS A 13 -14.139 -3.735 -6.904 1.00 0.00 O ATOM 189 CB CYS A 13 -14.997 -6.230 -5.716 1.00 0.00 C ATOM 190 SG CYS A 13 -15.816 -7.600 -4.836 1.00 0.00 S ATOM 0 HA CYS A 13 -16.283 -4.528 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.462 -6.632 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.252 -5.782 -5.058 1.00 0.00 H new ATOM 195 N ALA A 14 -15.829 -4.024 -8.355 1.00 0.00 N ATOM 196 CA ALA A 14 -15.220 -3.203 -9.390 1.00 0.00 C ATOM 197 C ALA A 14 -15.400 -1.709 -9.138 1.00 0.00 C ATOM 198 O ALA A 14 -14.749 -0.884 -9.779 1.00 0.00 O ATOM 199 CB ALA A 14 -15.787 -3.570 -10.752 1.00 0.00 C ATOM 0 H ALA A 14 -16.736 -4.416 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.150 -3.407 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.324 -2.949 -11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.580 -4.619 -10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -16.864 -3.405 -10.754 1.00 0.00 H new ATOM 205 N ALA A 15 -16.283 -1.353 -8.217 1.00 0.00 N ATOM 206 CA ALA A 15 -16.528 0.054 -7.920 1.00 0.00 C ATOM 207 C ALA A 15 -15.754 0.519 -6.695 1.00 0.00 C ATOM 208 O ALA A 15 -16.044 1.576 -6.136 1.00 0.00 O ATOM 209 CB ALA A 15 -18.019 0.306 -7.731 1.00 0.00 C ATOM 0 H ALA A 15 -16.837 -2.009 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.173 0.634 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -18.185 1.360 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.552 0.038 -8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -18.389 -0.300 -6.904 1.00 0.00 H new ATOM 215 N ALA A 16 -14.768 -0.261 -6.284 1.00 0.00 N ATOM 216 CA ALA A 16 -13.961 0.097 -5.126 1.00 0.00 C ATOM 217 C ALA A 16 -12.538 -0.412 -5.267 1.00 0.00 C ATOM 218 O ALA A 16 -11.584 0.360 -5.257 1.00 0.00 O ATOM 219 CB ALA A 16 -14.584 -0.450 -3.849 1.00 0.00 C ATOM 0 H ALA A 16 -14.507 -1.140 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.931 1.185 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.966 -0.172 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.584 -0.034 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.648 -1.536 -3.912 1.00 0.00 H new ATOM 225 N ILE A 17 -12.408 -1.722 -5.399 1.00 0.00 N ATOM 226 CA ILE A 17 -11.114 -2.366 -5.532 1.00 0.00 C ATOM 227 C ILE A 17 -10.533 -2.159 -6.921 1.00 0.00 C ATOM 228 O ILE A 17 -9.345 -1.888 -7.069 1.00 0.00 O ATOM 229 CB ILE A 17 -11.244 -3.874 -5.231 1.00 0.00 C ATOM 230 CG1 ILE A 17 -11.509 -4.089 -3.746 1.00 0.00 C ATOM 231 CG2 ILE A 17 -10.005 -4.648 -5.651 1.00 0.00 C ATOM 232 CD1 ILE A 17 -11.898 -5.507 -3.428 1.00 0.00 C ATOM 0 H ILE A 17 -13.197 -2.368 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.433 -1.910 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.084 -4.252 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.616 -3.825 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.303 -3.417 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.141 -5.705 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.847 -4.528 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.138 -4.267 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.075 -5.604 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.807 -5.765 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.094 -6.180 -3.725 1.00 0.00 H new ATOM 244 N ALA A 18 -11.373 -2.292 -7.939 1.00 0.00 N ATOM 245 CA ALA A 18 -10.918 -2.133 -9.316 1.00 0.00 C ATOM 246 C ALA A 18 -10.327 -0.746 -9.570 1.00 0.00 C ATOM 247 O ALA A 18 -9.390 -0.599 -10.355 1.00 0.00 O ATOM 248 CB ALA A 18 -12.040 -2.412 -10.298 1.00 0.00 C ATOM 0 H ALA A 18 -12.365 -2.508 -7.840 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.126 -2.865 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.672 -2.286 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.395 -3.434 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.861 -1.717 -10.120 1.00 0.00 H new ATOM 254 N GLY A 19 -10.874 0.265 -8.907 1.00 0.00 N ATOM 255 CA GLY A 19 -10.378 1.617 -9.082 1.00 0.00 C ATOM 256 C GLY A 19 -9.208 1.932 -8.171 1.00 0.00 C ATOM 257 O GLY A 19 -8.322 2.703 -8.537 1.00 0.00 O ATOM 0 H GLY A 19 -11.651 0.174 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.074 1.757 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.185 2.324 -8.888 1.00 0.00 H new ATOM 261 N ALA A 20 -9.217 1.344 -6.984 1.00 0.00 N ATOM 262 CA ALA A 20 -8.163 1.571 -6.004 1.00 0.00 C ATOM 263 C ALA A 20 -6.850 0.942 -6.447 1.00 0.00 C ATOM 264 O ALA A 20 -5.769 1.486 -6.201 1.00 0.00 O ATOM 265 CB ALA A 20 -8.597 1.043 -4.653 1.00 0.00 C ATOM 0 H ALA A 20 -9.947 0.702 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.991 2.644 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.805 1.215 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.503 1.559 -4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.796 -0.026 -4.727 1.00 0.00 H new ATOM 271 N VAL A 21 -6.954 -0.196 -7.117 1.00 0.00 N ATOM 272 CA VAL A 21 -5.802 -0.904 -7.625 1.00 0.00 C ATOM 273 C VAL A 21 -5.077 -0.072 -8.683 1.00 0.00 C ATOM 274 O VAL A 21 -3.851 0.026 -8.668 1.00 0.00 O ATOM 275 CB VAL A 21 -6.242 -2.263 -8.216 1.00 0.00 C ATOM 276 CG1 VAL A 21 -5.159 -2.862 -9.088 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.577 -3.230 -7.094 1.00 0.00 C ATOM 0 H VAL A 21 -7.844 -0.650 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.110 -1.081 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.124 -2.090 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.500 -3.817 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.937 -2.183 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.259 -3.018 -8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.886 -4.186 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.698 -3.378 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.388 -2.821 -6.491 1.00 0.00 H new ATOM 287 N ALA A 22 -5.838 0.530 -9.590 1.00 0.00 N ATOM 288 CA ALA A 22 -5.258 1.351 -10.646 1.00 0.00 C ATOM 289 C ALA A 22 -4.595 2.605 -10.084 1.00 0.00 C ATOM 290 O ALA A 22 -3.731 3.199 -10.728 1.00 0.00 O ATOM 291 CB ALA A 22 -6.322 1.736 -11.658 1.00 0.00 C ATOM 0 H ALA A 22 -6.856 0.465 -9.615 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.489 0.757 -11.140 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.875 2.349 -12.441 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.746 0.835 -12.101 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.110 2.301 -11.160 1.00 0.00 H new ATOM 297 N ALA A 23 -5.011 3.013 -8.888 1.00 0.00 N ATOM 298 CA ALA A 23 -4.465 4.204 -8.248 1.00 0.00 C ATOM 299 C ALA A 23 -3.033 3.998 -7.757 1.00 0.00 C ATOM 300 O ALA A 23 -2.192 4.882 -7.909 1.00 0.00 O ATOM 301 CB ALA A 23 -5.345 4.629 -7.086 1.00 0.00 C ATOM 0 H ALA A 23 -5.727 2.534 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.445 4.988 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.925 5.519 -6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.348 4.850 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.395 3.823 -6.354 1.00 0.00 H new ATOM 307 N CYS A 24 -2.760 2.854 -7.143 1.00 0.00 N ATOM 308 CA CYS A 24 -1.422 2.598 -6.610 1.00 0.00 C ATOM 309 C CYS A 24 -0.620 1.635 -7.483 1.00 0.00 C ATOM 310 O CYS A 24 0.526 1.315 -7.166 1.00 0.00 O ATOM 311 CB CYS A 24 -1.519 2.063 -5.181 1.00 0.00 C ATOM 312 SG CYS A 24 -2.453 3.153 -4.054 1.00 0.00 S ATOM 0 H CYS A 24 -3.431 2.099 -7.002 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.888 3.548 -6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.994 1.082 -5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.513 1.922 -4.786 1.00 0.00 H new ATOM 317 N GLY A 25 -1.212 1.180 -8.581 1.00 0.00 N ATOM 318 CA GLY A 25 -0.514 0.264 -9.474 1.00 0.00 C ATOM 319 C GLY A 25 -0.536 -1.171 -8.982 1.00 0.00 C ATOM 320 O GLY A 25 0.474 -1.873 -9.040 1.00 0.00 O ATOM 0 H GLY A 25 -2.159 1.425 -8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.970 0.311 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.520 0.589 -9.584 1.00 0.00 H new ATOM 324 N GLY A 26 -1.686 -1.610 -8.501 1.00 0.00 N ATOM 325 CA GLY A 26 -1.820 -2.963 -8.004 1.00 0.00 C ATOM 326 C GLY A 26 -2.460 -2.993 -6.639 1.00 0.00 C ATOM 327 O GLY A 26 -2.816 -1.945 -6.097 1.00 0.00 O ATOM 0 H GLY A 26 -2.536 -1.049 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.420 -3.549 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.837 -3.432 -7.956 1.00 0.00 H new ATOM 331 N ILE A 27 -2.613 -4.183 -6.073 1.00 0.00 N ATOM 332 CA ILE A 27 -3.217 -4.303 -4.758 1.00 0.00 C ATOM 333 C ILE A 27 -2.248 -3.847 -3.691 1.00 0.00 C ATOM 334 O ILE A 27 -1.061 -4.184 -3.705 1.00 0.00 O ATOM 335 CB ILE A 27 -3.715 -5.735 -4.451 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.568 -6.746 -4.474 1.00 0.00 C ATOM 337 CG2 ILE A 27 -4.793 -6.148 -5.438 1.00 0.00 C ATOM 338 CD1 ILE A 27 -2.313 -7.389 -3.128 1.00 0.00 C ATOM 0 H ILE A 27 -2.331 -5.066 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.095 -3.657 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.137 -5.726 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.792 -7.524 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.659 -6.247 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.131 -7.158 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.634 -5.459 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.388 -6.124 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.487 -8.096 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.058 -6.619 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.209 -7.916 -2.801 1.00 0.00 H new ATOM 350 N ASP A 28 -2.767 -3.056 -2.787 1.00 0.00 N ATOM 351 CA ASP A 28 -1.988 -2.506 -1.708 1.00 0.00 C ATOM 352 C ASP A 28 -2.902 -2.340 -0.506 1.00 0.00 C ATOM 353 O ASP A 28 -3.602 -3.283 -0.137 1.00 0.00 O ATOM 354 CB ASP A 28 -1.380 -1.172 -2.165 1.00 0.00 C ATOM 355 CG ASP A 28 -0.329 -0.631 -1.228 1.00 0.00 C ATOM 356 OD1 ASP A 28 0.636 -1.357 -0.927 1.00 0.00 O ATOM 357 OD2 ASP A 28 -0.473 0.530 -0.805 1.00 0.00 O ATOM 0 H ASP A 28 -3.747 -2.774 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.165 -3.163 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.940 -1.303 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.177 -0.436 -2.267 1.00 0.00 H new ATOM 362 N LEU A 29 -2.926 -1.145 0.067 1.00 0.00 N ATOM 363 CA LEU A 29 -3.789 -0.850 1.215 1.00 0.00 C ATOM 364 C LEU A 29 -3.550 0.564 1.768 1.00 0.00 C ATOM 365 O LEU A 29 -4.493 1.342 1.863 1.00 0.00 O ATOM 366 CB LEU A 29 -3.606 -1.887 2.334 1.00 0.00 C ATOM 367 CG LEU A 29 -4.686 -1.875 3.415 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.047 -2.230 2.824 1.00 0.00 C ATOM 369 CD2 LEU A 29 -4.317 -2.836 4.532 1.00 0.00 C ATOM 0 H LEU A 29 -2.357 -0.357 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.816 -0.902 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.574 -2.880 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.639 -1.720 2.808 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.752 -0.869 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.801 -2.215 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.311 -1.503 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.003 -3.225 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.093 -2.820 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.226 -3.845 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.367 -2.534 4.973 1.00 0.00 H new ATOM 381 N PRO A 30 -2.295 0.927 2.159 1.00 0.00 N ATOM 382 CA PRO A 30 -1.986 2.258 2.715 1.00 0.00 C ATOM 383 C PRO A 30 -2.524 3.408 1.865 1.00 0.00 C ATOM 384 O PRO A 30 -2.930 4.443 2.394 1.00 0.00 O ATOM 385 CB PRO A 30 -0.452 2.311 2.766 1.00 0.00 C ATOM 386 CG PRO A 30 0.033 1.074 2.083 1.00 0.00 C ATOM 387 CD PRO A 30 -1.093 0.081 2.117 1.00 0.00 C ATOM 0 HA PRO A 30 -2.459 2.383 3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.077 3.204 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.098 2.350 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.325 1.291 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.913 0.676 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.086 -0.564 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.029 -0.569 2.990 1.00 0.00 H new ATOM 395 N CYS A 31 -2.526 3.230 0.555 1.00 0.00 N ATOM 396 CA CYS A 31 -3.020 4.255 -0.339 1.00 0.00 C ATOM 397 C CYS A 31 -4.327 3.823 -0.996 1.00 0.00 C ATOM 398 O CYS A 31 -5.165 4.650 -1.353 1.00 0.00 O ATOM 399 CB CYS A 31 -1.972 4.568 -1.404 1.00 0.00 C ATOM 400 SG CYS A 31 -1.385 3.110 -2.330 1.00 0.00 S ATOM 0 H CYS A 31 -2.191 2.386 0.091 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.216 5.154 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.390 5.287 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.118 5.049 -0.927 1.00 0.00 H new ATOM 405 N VAL A 32 -4.475 2.516 -1.154 1.00 0.00 N ATOM 406 CA VAL A 32 -5.643 1.915 -1.770 1.00 0.00 C ATOM 407 C VAL A 32 -6.911 2.085 -0.915 1.00 0.00 C ATOM 408 O VAL A 32 -8.024 2.044 -1.437 1.00 0.00 O ATOM 409 CB VAL A 32 -5.343 0.416 -2.026 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.578 -0.357 -2.413 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.287 0.276 -3.105 1.00 0.00 C ATOM 0 H VAL A 32 -3.777 1.836 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.845 2.426 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.975 -0.006 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.316 -1.401 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.314 -0.293 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.999 0.063 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.082 -0.780 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.646 0.732 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.372 0.775 -2.786 1.00 0.00 H new ATOM 421 N LEU A 33 -6.737 2.273 0.394 1.00 0.00 N ATOM 422 CA LEU A 33 -7.866 2.433 1.322 1.00 0.00 C ATOM 423 C LEU A 33 -8.819 3.562 0.911 1.00 0.00 C ATOM 424 O LEU A 33 -9.996 3.539 1.269 1.00 0.00 O ATOM 425 CB LEU A 33 -7.351 2.678 2.754 1.00 0.00 C ATOM 426 CG LEU A 33 -6.659 4.029 3.011 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.664 5.098 3.420 1.00 0.00 C ATOM 428 CD2 LEU A 33 -5.594 3.885 4.077 1.00 0.00 C ATOM 0 H LEU A 33 -5.821 2.319 0.841 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.434 1.503 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.194 2.590 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.650 1.882 3.006 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.190 4.342 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.143 6.040 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.398 5.231 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.171 4.790 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.115 4.850 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.052 3.540 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.847 3.162 3.750 1.00 0.00 H new ATOM 440 N ALA A 34 -8.302 4.554 0.189 1.00 0.00 N ATOM 441 CA ALA A 34 -9.103 5.697 -0.240 1.00 0.00 C ATOM 442 C ALA A 34 -10.239 5.289 -1.174 1.00 0.00 C ATOM 443 O ALA A 34 -11.411 5.503 -0.866 1.00 0.00 O ATOM 444 CB ALA A 34 -8.217 6.735 -0.912 1.00 0.00 C ATOM 0 H ALA A 34 -7.328 4.588 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.557 6.129 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.825 7.583 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.457 7.075 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.733 6.292 -1.782 1.00 0.00 H new ATOM 450 N ALA A 35 -9.893 4.711 -2.321 1.00 0.00 N ATOM 451 CA ALA A 35 -10.903 4.295 -3.292 1.00 0.00 C ATOM 452 C ALA A 35 -11.579 2.997 -2.869 1.00 0.00 C ATOM 453 O ALA A 35 -12.689 2.695 -3.305 1.00 0.00 O ATOM 454 CB ALA A 35 -10.290 4.151 -4.675 1.00 0.00 C ATOM 0 H ALA A 35 -8.931 4.521 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.667 5.072 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.058 3.841 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.872 5.107 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.499 3.401 -4.646 1.00 0.00 H new ATOM 460 N LEU A 36 -10.902 2.240 -2.014 1.00 0.00 N ATOM 461 CA LEU A 36 -11.427 0.974 -1.513 1.00 0.00 C ATOM 462 C LEU A 36 -12.631 1.216 -0.606 1.00 0.00 C ATOM 463 O LEU A 36 -13.585 0.440 -0.599 1.00 0.00 O ATOM 464 CB LEU A 36 -10.325 0.233 -0.743 1.00 0.00 C ATOM 465 CG LEU A 36 -10.726 -1.097 -0.102 1.00 0.00 C ATOM 466 CD1 LEU A 36 -11.017 -2.147 -1.160 1.00 0.00 C ATOM 467 CD2 LEU A 36 -9.631 -1.582 0.829 1.00 0.00 C ATOM 0 H LEU A 36 -9.981 2.483 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.751 0.365 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.495 0.048 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.952 0.892 0.041 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.636 -0.934 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.299 -3.082 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.834 -1.806 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.127 -2.307 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.929 -2.529 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.709 -1.722 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.467 -0.843 1.614 1.00 0.00 H new ATOM 479 N LYS A 37 -12.564 2.301 0.160 1.00 0.00 N ATOM 480 CA LYS A 37 -13.625 2.670 1.089 1.00 0.00 C ATOM 481 C LYS A 37 -14.909 3.043 0.351 1.00 0.00 C ATOM 482 O LYS A 37 -16.007 2.690 0.790 1.00 0.00 O ATOM 483 CB LYS A 37 -13.150 3.840 1.954 1.00 0.00 C ATOM 484 CG LYS A 37 -13.943 4.029 3.238 1.00 0.00 C ATOM 485 CD LYS A 37 -13.293 5.053 4.161 1.00 0.00 C ATOM 486 CE LYS A 37 -11.849 4.682 4.470 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.299 5.455 5.617 1.00 0.00 N ATOM 0 H LYS A 37 -11.775 2.947 0.154 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.850 1.811 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.101 3.687 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.206 4.757 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.956 4.350 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.027 3.074 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.326 6.038 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.860 5.120 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.790 3.616 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.234 4.859 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.314 5.168 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.330 6.471 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.868 5.267 6.467 1.00 0.00 H new ATOM 501 N ALA A 38 -14.759 3.755 -0.768 1.00 0.00 N ATOM 502 CA ALA A 38 -15.893 4.188 -1.587 1.00 0.00 C ATOM 503 C ALA A 38 -16.876 5.044 -0.781 1.00 0.00 C ATOM 504 O ALA A 38 -16.644 6.236 -0.572 1.00 0.00 O ATOM 505 CB ALA A 38 -16.596 2.986 -2.208 1.00 0.00 C ATOM 0 H ALA A 38 -13.851 4.047 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.504 4.812 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.436 3.328 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.894 2.439 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.961 2.330 -1.418 1.00 0.00 H new ATOM 511 N ALA A 39 -17.971 4.435 -0.332 1.00 0.00 N ATOM 512 CA ALA A 39 -18.979 5.148 0.447 1.00 0.00 C ATOM 513 C ALA A 39 -19.382 4.360 1.690 1.00 0.00 C ATOM 514 O ALA A 39 -20.437 4.611 2.273 1.00 0.00 O ATOM 515 CB ALA A 39 -20.205 5.439 -0.407 1.00 0.00 C ATOM 0 H ALA A 39 -18.182 3.450 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.540 6.091 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -20.946 5.971 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.917 6.054 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -20.631 4.501 -0.763 1.00 0.00 H new ATOM 521 N GLU A 40 -18.542 3.411 2.084 1.00 0.00 N ATOM 522 CA GLU A 40 -18.800 2.578 3.257 1.00 0.00 C ATOM 523 C GLU A 40 -17.528 1.803 3.603 1.00 0.00 C ATOM 524 O GLU A 40 -16.530 2.390 4.016 1.00 0.00 O ATOM 525 CB GLU A 40 -19.962 1.612 2.972 1.00 0.00 C ATOM 526 CG GLU A 40 -20.485 0.875 4.197 1.00 0.00 C ATOM 527 CD GLU A 40 -21.473 -0.205 3.833 1.00 0.00 C ATOM 528 OE1 GLU A 40 -22.509 0.124 3.227 1.00 0.00 O ATOM 529 OE2 GLU A 40 -21.207 -1.383 4.140 1.00 0.00 O ATOM 0 H GLU A 40 -17.668 3.196 1.605 1.00 0.00 H new ATOM 0 HA GLU A 40 -19.081 3.206 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -20.782 2.173 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -19.636 0.879 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -19.648 0.432 4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -20.960 1.587 4.872 1.00 0.00 H new ATOM 536 N GLY A 41 -17.561 0.495 3.394 1.00 0.00 N ATOM 537 CA GLY A 41 -16.401 -0.332 3.645 1.00 0.00 C ATOM 538 C GLY A 41 -15.851 -0.843 2.338 1.00 0.00 C ATOM 539 O GLY A 41 -14.749 -0.479 1.936 1.00 0.00 O ATOM 0 H GLY A 41 -18.378 -0.011 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.639 0.243 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.671 -1.169 4.289 1.00 0.00 H new ATOM 543 N CYS A 42 -16.663 -1.658 1.661 1.00 0.00 N ATOM 544 CA CYS A 42 -16.332 -2.223 0.350 1.00 0.00 C ATOM 545 C CYS A 42 -14.934 -2.846 0.305 1.00 0.00 C ATOM 546 O CYS A 42 -14.293 -2.867 -0.748 1.00 0.00 O ATOM 547 CB CYS A 42 -16.435 -1.130 -0.719 1.00 0.00 C ATOM 548 SG CYS A 42 -17.935 -0.091 -0.605 1.00 0.00 S ATOM 0 H CYS A 42 -17.577 -1.947 2.010 1.00 0.00 H new ATOM 0 HA CYS A 42 -17.048 -3.022 0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -15.558 -0.487 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.408 -1.599 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 42 -18.145 0.495 -1.746 1.00 0.00 H new ATOM 553 N ALA A 43 -14.455 -3.350 1.437 1.00 0.00 N ATOM 554 CA ALA A 43 -13.128 -3.948 1.483 1.00 0.00 C ATOM 555 C ALA A 43 -13.170 -5.434 1.794 1.00 0.00 C ATOM 556 O ALA A 43 -12.183 -6.130 1.586 1.00 0.00 O ATOM 557 CB ALA A 43 -12.265 -3.231 2.503 1.00 0.00 C ATOM 0 H ALA A 43 -14.959 -3.357 2.324 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.694 -3.837 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.276 -3.688 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.173 -2.180 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.725 -3.309 3.488 1.00 0.00 H new ATOM 563 N SER A 44 -14.301 -5.918 2.294 1.00 0.00 N ATOM 564 CA SER A 44 -14.450 -7.335 2.642 1.00 0.00 C ATOM 565 C SER A 44 -14.194 -8.246 1.439 1.00 0.00 C ATOM 566 O SER A 44 -13.944 -9.435 1.590 1.00 0.00 O ATOM 567 CB SER A 44 -15.855 -7.588 3.185 1.00 0.00 C ATOM 568 OG SER A 44 -16.259 -6.538 4.052 1.00 0.00 O ATOM 0 H SER A 44 -15.132 -5.353 2.469 1.00 0.00 H new ATOM 0 HA SER A 44 -13.707 -7.569 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.559 -7.673 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.877 -8.537 3.721 1.00 0.00 H new ATOM 0 HG SER A 44 -15.675 -6.520 4.839 1.00 0.00 H new ATOM 574 N CYS A 45 -14.275 -7.685 0.246 1.00 0.00 N ATOM 575 CA CYS A 45 -14.069 -8.451 -0.972 1.00 0.00 C ATOM 576 C CYS A 45 -12.642 -8.978 -1.090 1.00 0.00 C ATOM 577 O CYS A 45 -12.435 -10.174 -1.289 1.00 0.00 O ATOM 578 CB CYS A 45 -14.417 -7.593 -2.181 1.00 0.00 C ATOM 579 SG CYS A 45 -14.322 -8.459 -3.774 1.00 0.00 S ATOM 0 H CYS A 45 -14.483 -6.698 0.093 1.00 0.00 H new ATOM 0 HA CYS A 45 -14.727 -9.319 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -15.427 -7.202 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -13.744 -6.736 -2.208 1.00 0.00 H new ATOM 584 N PHE A 46 -11.660 -8.095 -0.976 1.00 0.00 N ATOM 585 CA PHE A 46 -10.268 -8.513 -1.084 1.00 0.00 C ATOM 586 C PHE A 46 -9.597 -8.466 0.277 1.00 0.00 C ATOM 587 O PHE A 46 -8.912 -9.403 0.668 1.00 0.00 O ATOM 588 CB PHE A 46 -9.531 -7.644 -2.111 1.00 0.00 C ATOM 589 CG PHE A 46 -8.672 -6.556 -1.553 1.00 0.00 C ATOM 590 CD1 PHE A 46 -7.358 -6.799 -1.188 1.00 0.00 C ATOM 591 CD2 PHE A 46 -9.186 -5.289 -1.393 1.00 0.00 C ATOM 592 CE1 PHE A 46 -6.577 -5.792 -0.670 1.00 0.00 C ATOM 593 CE2 PHE A 46 -8.415 -4.280 -0.880 1.00 0.00 C ATOM 594 CZ PHE A 46 -7.106 -4.531 -0.514 1.00 0.00 C ATOM 0 H PHE A 46 -11.797 -7.098 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.230 -9.544 -1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.907 -8.293 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.270 -7.193 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.943 -7.788 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.209 -5.088 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.554 -5.990 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.829 -3.290 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.498 -3.737 -0.105 1.00 0.00 H new ATOM 604 N CYS A 47 -9.807 -7.364 0.988 1.00 0.00 N ATOM 605 CA CYS A 47 -9.238 -7.157 2.326 1.00 0.00 C ATOM 606 C CYS A 47 -9.863 -8.107 3.361 1.00 0.00 C ATOM 607 O CYS A 47 -9.821 -7.837 4.555 1.00 0.00 O ATOM 608 CB CYS A 47 -9.465 -5.704 2.766 1.00 0.00 C ATOM 609 SG CYS A 47 -8.021 -4.913 3.544 1.00 0.00 S ATOM 0 H CYS A 47 -10.376 -6.585 0.658 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.170 -7.370 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.760 -5.117 1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.299 -5.677 3.467 1.00 0.00 H new ATOM 614 N GLU A 48 -10.445 -9.204 2.889 1.00 0.00 N ATOM 615 CA GLU A 48 -11.085 -10.199 3.741 1.00 0.00 C ATOM 616 C GLU A 48 -10.084 -10.873 4.683 1.00 0.00 C ATOM 617 O GLU A 48 -10.050 -10.588 5.880 1.00 0.00 O ATOM 618 CB GLU A 48 -11.734 -11.253 2.842 1.00 0.00 C ATOM 619 CG GLU A 48 -12.540 -12.319 3.575 1.00 0.00 C ATOM 620 CD GLU A 48 -13.801 -11.792 4.226 1.00 0.00 C ATOM 621 OE1 GLU A 48 -14.072 -10.581 4.131 1.00 0.00 O ATOM 622 OE2 GLU A 48 -14.527 -12.601 4.834 1.00 0.00 O ATOM 0 H GLU A 48 -10.486 -9.429 1.895 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.830 -9.701 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.389 -10.749 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.953 -11.745 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.808 -13.107 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.911 -12.775 4.339 1.00 0.00 H new ATOM 629 N ASP A 49 -9.290 -11.787 4.129 1.00 0.00 N ATOM 630 CA ASP A 49 -8.301 -12.531 4.905 1.00 0.00 C ATOM 631 C ASP A 49 -7.159 -11.621 5.344 1.00 0.00 C ATOM 632 O ASP A 49 -6.719 -11.666 6.494 1.00 0.00 O ATOM 633 CB ASP A 49 -7.746 -13.693 4.073 1.00 0.00 C ATOM 634 CG ASP A 49 -6.946 -14.684 4.893 1.00 0.00 C ATOM 635 OD1 ASP A 49 -6.961 -14.588 6.134 1.00 0.00 O ATOM 636 OD2 ASP A 49 -6.311 -15.572 4.291 1.00 0.00 O ATOM 0 H ASP A 49 -9.313 -12.031 3.139 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.792 -12.925 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.573 -14.214 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.114 -13.294 3.279 1.00 0.00 H new ATOM 641 N HIS A 50 -6.678 -10.801 4.421 1.00 0.00 N ATOM 642 CA HIS A 50 -5.581 -9.891 4.717 1.00 0.00 C ATOM 643 C HIS A 50 -6.067 -8.459 4.913 1.00 0.00 C ATOM 644 O HIS A 50 -6.515 -7.803 3.971 1.00 0.00 O ATOM 645 CB HIS A 50 -4.494 -9.962 3.626 1.00 0.00 C ATOM 646 CG HIS A 50 -4.978 -9.904 2.197 1.00 0.00 C ATOM 647 ND1 HIS A 50 -4.211 -10.357 1.148 1.00 0.00 N ATOM 648 CD2 HIS A 50 -6.133 -9.449 1.634 1.00 0.00 C ATOM 649 CE1 HIS A 50 -4.859 -10.190 0.013 1.00 0.00 C ATOM 650 NE2 HIS A 50 -6.031 -9.644 0.277 1.00 0.00 N ATOM 0 H HIS A 50 -7.028 -10.747 3.465 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.139 -10.214 5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.795 -9.140 3.785 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.934 -10.887 3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.279 -10.762 1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.973 -9.016 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.493 -10.455 -0.968 1.00 0.00 H new ATOM 658 N CYS A 51 -5.975 -7.973 6.143 1.00 0.00 N ATOM 659 CA CYS A 51 -6.399 -6.616 6.453 1.00 0.00 C ATOM 660 C CYS A 51 -5.859 -6.182 7.811 1.00 0.00 C ATOM 661 O CYS A 51 -6.511 -5.452 8.545 1.00 0.00 O ATOM 662 CB CYS A 51 -7.933 -6.506 6.407 1.00 0.00 C ATOM 663 SG CYS A 51 -8.845 -7.187 7.832 1.00 0.00 S ATOM 0 H CYS A 51 -5.612 -8.496 6.940 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.990 -5.944 5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.196 -5.453 6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.284 -7.010 5.506 1.00 0.00 H new ATOM 668 N HIS A 52 -4.654 -6.635 8.128 1.00 0.00 N ATOM 669 CA HIS A 52 -4.005 -6.320 9.396 1.00 0.00 C ATOM 670 C HIS A 52 -3.308 -4.967 9.375 1.00 0.00 C ATOM 671 O HIS A 52 -2.980 -4.421 10.431 1.00 0.00 O ATOM 672 CB HIS A 52 -3.007 -7.422 9.791 1.00 0.00 C ATOM 673 CG HIS A 52 -2.227 -8.005 8.649 1.00 0.00 C ATOM 674 ND1 HIS A 52 -2.809 -8.750 7.645 1.00 0.00 N ATOM 675 CD2 HIS A 52 -0.907 -7.957 8.359 1.00 0.00 C ATOM 676 CE1 HIS A 52 -1.884 -9.135 6.788 1.00 0.00 C ATOM 677 NE2 HIS A 52 -0.719 -8.668 7.196 1.00 0.00 N ATOM 0 H HIS A 52 -4.098 -7.231 7.515 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.796 -6.268 10.144 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.307 -7.014 10.520 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.552 -8.225 10.288 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.143 -7.454 8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.051 -9.731 5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.175 -8.811 6.726 1.00 0.00 H new ATOM 685 N GLY A 53 -3.085 -4.426 8.188 1.00 0.00 N ATOM 686 CA GLY A 53 -2.431 -3.136 8.081 1.00 0.00 C ATOM 687 C GLY A 53 -3.370 -1.993 8.412 1.00 0.00 C ATOM 688 O GLY A 53 -3.972 -1.962 9.485 1.00 0.00 O ATOM 0 H GLY A 53 -3.343 -4.854 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.574 -3.107 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.046 -3.008 7.069 1.00 0.00 H new ATOM 692 N VAL A 54 -3.518 -1.056 7.488 1.00 0.00 N ATOM 693 CA VAL A 54 -4.406 0.081 7.696 1.00 0.00 C ATOM 694 C VAL A 54 -5.842 -0.283 7.286 1.00 0.00 C ATOM 695 O VAL A 54 -6.691 0.581 7.063 1.00 0.00 O ATOM 696 CB VAL A 54 -3.887 1.323 6.922 1.00 0.00 C ATOM 697 CG1 VAL A 54 -3.999 1.138 5.415 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.600 2.588 7.375 1.00 0.00 C ATOM 0 H VAL A 54 -3.037 -1.059 6.589 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.417 0.334 8.756 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.828 1.431 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.626 2.029 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.409 0.274 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.043 0.978 5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.217 3.442 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.670 2.487 7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.425 2.743 8.440 1.00 0.00 H new ATOM 708 N CYS A 55 -6.118 -1.583 7.205 1.00 0.00 N ATOM 709 CA CYS A 55 -7.448 -2.043 6.841 1.00 0.00 C ATOM 710 C CYS A 55 -8.283 -2.251 8.100 1.00 0.00 C ATOM 711 O CYS A 55 -9.407 -1.766 8.193 1.00 0.00 O ATOM 712 CB CYS A 55 -7.351 -3.332 6.028 1.00 0.00 C ATOM 713 SG CYS A 55 -8.801 -3.709 4.987 1.00 0.00 S ATOM 0 H CYS A 55 -5.443 -2.326 7.385 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.937 -1.289 6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.471 -3.273 5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.191 -4.164 6.714 1.00 0.00 H new ATOM 718 N LYS A 56 -7.720 -2.950 9.085 1.00 0.00 N ATOM 719 CA LYS A 56 -8.429 -3.183 10.344 1.00 0.00 C ATOM 720 C LYS A 56 -8.149 -2.059 11.335 1.00 0.00 C ATOM 721 O LYS A 56 -8.435 -2.189 12.525 1.00 0.00 O ATOM 722 CB LYS A 56 -8.055 -4.533 10.973 1.00 0.00 C ATOM 723 CG LYS A 56 -6.621 -4.616 11.485 1.00 0.00 C ATOM 724 CD LYS A 56 -6.421 -5.831 12.382 1.00 0.00 C ATOM 725 CE LYS A 56 -4.964 -5.988 12.805 1.00 0.00 C ATOM 726 NZ LYS A 56 -4.426 -4.757 13.451 1.00 0.00 N ATOM 0 H LYS A 56 -6.787 -3.360 9.038 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.494 -3.203 10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.735 -4.735 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.210 -5.319 10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.934 -4.668 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.377 -3.709 12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.049 -5.736 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.746 -6.729 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.877 -6.826 13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.359 -6.231 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.505 -4.967 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.309 -4.012 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.088 -4.432 14.184 1.00 0.00 H new ATOM 740 N ASP A 57 -7.589 -0.958 10.833 1.00 0.00 N ATOM 741 CA ASP A 57 -7.271 0.204 11.662 1.00 0.00 C ATOM 742 C ASP A 57 -8.533 0.686 12.382 1.00 0.00 C ATOM 743 O ASP A 57 -8.510 0.996 13.576 1.00 0.00 O ATOM 744 CB ASP A 57 -6.670 1.314 10.786 1.00 0.00 C ATOM 745 CG ASP A 57 -6.222 2.529 11.572 1.00 0.00 C ATOM 746 OD1 ASP A 57 -6.182 2.461 12.814 1.00 0.00 O ATOM 747 OD2 ASP A 57 -5.876 3.546 10.936 1.00 0.00 O ATOM 0 H ASP A 57 -7.345 -0.847 9.849 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.534 -0.071 12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.818 0.912 10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.409 1.622 10.046 1.00 0.00 H new ATOM 752 N LEU A 58 -9.644 0.696 11.659 1.00 0.00 N ATOM 753 CA LEU A 58 -10.930 1.083 12.228 1.00 0.00 C ATOM 754 C LEU A 58 -11.988 0.089 11.759 1.00 0.00 C ATOM 755 O LEU A 58 -12.361 -0.829 12.491 1.00 0.00 O ATOM 756 CB LEU A 58 -11.313 2.519 11.821 1.00 0.00 C ATOM 757 CG LEU A 58 -12.243 3.272 12.794 1.00 0.00 C ATOM 758 CD1 LEU A 58 -12.466 4.699 12.323 1.00 0.00 C ATOM 759 CD2 LEU A 58 -13.583 2.565 12.954 1.00 0.00 C ATOM 0 H LEU A 58 -9.682 0.439 10.673 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.862 1.066 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.397 3.098 11.703 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.795 2.482 10.844 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.751 3.287 13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.125 5.214 13.022 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.510 5.220 12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.924 4.688 11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.210 3.126 13.647 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.079 2.502 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.420 1.560 13.344 1.00 0.00 H new ATOM 771 N HIS A 59 -12.451 0.264 10.528 1.00 0.00 N ATOM 772 CA HIS A 59 -13.448 -0.621 9.953 1.00 0.00 C ATOM 773 C HIS A 59 -13.348 -0.600 8.434 1.00 0.00 C ATOM 774 O HIS A 59 -13.533 0.447 7.806 1.00 0.00 O ATOM 775 CB HIS A 59 -14.859 -0.222 10.411 1.00 0.00 C ATOM 776 CG HIS A 59 -15.941 -1.117 9.889 1.00 0.00 C ATOM 777 ND1 HIS A 59 -16.439 -1.029 8.607 1.00 0.00 N ATOM 778 CD2 HIS A 59 -16.599 -2.144 10.476 1.00 0.00 C ATOM 779 CE1 HIS A 59 -17.356 -1.959 8.426 1.00 0.00 C ATOM 780 NE2 HIS A 59 -17.472 -2.652 9.545 1.00 0.00 N ATOM 0 H HIS A 59 -12.148 1.015 9.908 1.00 0.00 H new ATOM 0 HA HIS A 59 -13.257 -1.636 10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.892 -0.226 11.501 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -15.060 0.800 10.090 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -16.463 -2.498 11.487 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.917 -2.126 7.518 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -18.107 -3.437 9.693 1.00 0.00 H new ATOM 788 N LEU A 60 -13.050 -1.755 7.854 1.00 0.00 N ATOM 789 CA LEU A 60 -12.920 -1.879 6.412 1.00 0.00 C ATOM 790 C LEU A 60 -13.220 -3.314 5.984 1.00 0.00 C ATOM 791 O LEU A 60 -14.051 -3.543 5.105 1.00 0.00 O ATOM 792 CB LEU A 60 -11.517 -1.451 5.966 1.00 0.00 C ATOM 793 CG LEU A 60 -11.447 -0.751 4.604 1.00 0.00 C ATOM 794 CD1 LEU A 60 -12.356 0.468 4.577 1.00 0.00 C ATOM 795 CD2 LEU A 60 -10.016 -0.347 4.288 1.00 0.00 C ATOM 0 H LEU A 60 -12.893 -2.623 8.366 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.641 -1.220 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.102 -0.783 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.878 -2.334 5.935 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.789 -1.452 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.290 0.949 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.385 0.159 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.045 1.171 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.984 0.149 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.652 0.335 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.384 -1.235 4.263 1.00 0.00 H new ATOM 807 N CYS A 61 -12.569 -4.283 6.630 1.00 0.00 N ATOM 808 CA CYS A 61 -12.809 -5.691 6.320 1.00 0.00 C ATOM 809 C CYS A 61 -14.007 -6.214 7.104 1.00 0.00 C ATOM 810 O CYS A 61 -13.981 -6.141 8.345 1.00 0.00 O ATOM 811 CB CYS A 61 -11.573 -6.565 6.601 1.00 0.00 C ATOM 812 SG CYS A 61 -10.488 -5.984 7.953 1.00 0.00 S ATOM 813 OXT CYS A 61 -14.970 -6.684 6.470 1.00 0.00 O ATOM 0 H CYS A 61 -11.879 -4.120 7.363 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.022 -5.753 5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.910 -7.574 6.837 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.982 -6.632 5.688 1.00 0.00 H new ATOM 1003 N CYS B 74 17.423 -9.677 5.331 1.00 0.00 N ATOM 1004 CA CYS B 74 16.239 -8.958 5.798 1.00 0.00 C ATOM 1005 C CYS B 74 15.476 -9.757 6.859 1.00 0.00 C ATOM 1006 O CYS B 74 14.264 -9.597 7.014 1.00 0.00 O ATOM 1007 CB CYS B 74 15.295 -8.598 4.649 1.00 0.00 C ATOM 1008 SG CYS B 74 15.947 -8.836 2.960 1.00 0.00 S ATOM 0 HA CYS B 74 16.602 -8.033 6.247 1.00 0.00 H new ATOM 0 HB2 CYS B 74 14.388 -9.193 4.752 1.00 0.00 H new ATOM 0 HB3 CYS B 74 15.005 -7.553 4.759 1.00 0.00 H new ATOM 1013 N ALA B 75 16.182 -10.611 7.592 1.00 0.00 N ATOM 1014 CA ALA B 75 15.557 -11.420 8.626 1.00 0.00 C ATOM 1015 C ALA B 75 15.254 -10.585 9.862 1.00 0.00 C ATOM 1016 O ALA B 75 14.121 -10.549 10.336 1.00 0.00 O ATOM 1017 CB ALA B 75 16.445 -12.596 8.990 1.00 0.00 C ATOM 0 H ALA B 75 17.186 -10.759 7.488 1.00 0.00 H new ATOM 0 HA ALA B 75 14.615 -11.801 8.232 1.00 0.00 H new ATOM 0 HB1 ALA B 75 15.962 -13.191 9.765 1.00 0.00 H new ATOM 0 HB2 ALA B 75 16.609 -13.215 8.108 1.00 0.00 H new ATOM 0 HB3 ALA B 75 17.403 -12.228 9.359 1.00 0.00 H new ATOM 1023 N ALA B 76 16.275 -9.907 10.381 1.00 0.00 N ATOM 1024 CA ALA B 76 16.113 -9.071 11.570 1.00 0.00 C ATOM 1025 C ALA B 76 15.541 -7.703 11.214 1.00 0.00 C ATOM 1026 O ALA B 76 15.983 -6.676 11.733 1.00 0.00 O ATOM 1027 CB ALA B 76 17.441 -8.917 12.294 1.00 0.00 C ATOM 0 H ALA B 76 17.221 -9.919 9.999 1.00 0.00 H new ATOM 0 HA ALA B 76 15.405 -9.567 12.233 1.00 0.00 H new ATOM 0 HB1 ALA B 76 17.304 -8.292 13.177 1.00 0.00 H new ATOM 0 HB2 ALA B 76 17.806 -9.898 12.597 1.00 0.00 H new ATOM 0 HB3 ALA B 76 18.166 -8.450 11.628 1.00 0.00 H new ATOM 1033 N ALA B 77 14.549 -7.701 10.332 1.00 0.00 N ATOM 1034 CA ALA B 77 13.892 -6.474 9.897 1.00 0.00 C ATOM 1035 C ALA B 77 12.519 -6.779 9.318 1.00 0.00 C ATOM 1036 O ALA B 77 11.544 -6.099 9.615 1.00 0.00 O ATOM 1037 CB ALA B 77 14.743 -5.741 8.869 1.00 0.00 C ATOM 0 H ALA B 77 14.178 -8.547 9.899 1.00 0.00 H new ATOM 0 HA ALA B 77 13.769 -5.830 10.768 1.00 0.00 H new ATOM 0 HB1 ALA B 77 14.233 -4.829 8.559 1.00 0.00 H new ATOM 0 HB2 ALA B 77 15.707 -5.486 9.310 1.00 0.00 H new ATOM 0 HB3 ALA B 77 14.899 -6.383 8.002 1.00 0.00 H new ATOM 1043 N ILE B 78 12.457 -7.805 8.483 1.00 0.00 N ATOM 1044 CA ILE B 78 11.212 -8.209 7.844 1.00 0.00 C ATOM 1045 C ILE B 78 10.598 -9.411 8.546 1.00 0.00 C ATOM 1046 O ILE B 78 9.434 -9.377 8.929 1.00 0.00 O ATOM 1047 CB ILE B 78 11.465 -8.498 6.344 1.00 0.00 C ATOM 1048 CG1 ILE B 78 11.453 -7.186 5.581 1.00 0.00 C ATOM 1049 CG2 ILE B 78 10.449 -9.455 5.738 1.00 0.00 C ATOM 1050 CD1 ILE B 78 12.176 -7.252 4.262 1.00 0.00 C ATOM 0 H ILE B 78 13.262 -8.378 8.230 1.00 0.00 H new ATOM 0 HA ILE B 78 10.494 -7.392 7.924 1.00 0.00 H new ATOM 0 HB ILE B 78 12.436 -8.987 6.266 1.00 0.00 H new ATOM 0 HG12 ILE B 78 10.420 -6.886 5.405 1.00 0.00 H new ATOM 0 HG13 ILE B 78 11.909 -6.412 6.198 1.00 0.00 H new ATOM 0 HG21 ILE B 78 10.683 -9.615 4.686 1.00 0.00 H new ATOM 0 HG22 ILE B 78 10.486 -10.407 6.267 1.00 0.00 H new ATOM 0 HG23 ILE B 78 9.450 -9.029 5.827 1.00 0.00 H new ATOM 0 HD11 ILE B 78 12.127 -6.280 3.771 1.00 0.00 H new ATOM 0 HD12 ILE B 78 13.219 -7.521 4.432 1.00 0.00 H new ATOM 0 HD13 ILE B 78 11.706 -8.003 3.627 1.00 0.00 H new ATOM 1062 N ALA B 79 11.383 -10.466 8.724 1.00 0.00 N ATOM 1063 CA ALA B 79 10.894 -11.674 9.386 1.00 0.00 C ATOM 1064 C ALA B 79 10.446 -11.395 10.822 1.00 0.00 C ATOM 1065 O ALA B 79 9.503 -12.014 11.317 1.00 0.00 O ATOM 1066 CB ALA B 79 11.955 -12.765 9.366 1.00 0.00 C ATOM 0 H ALA B 79 12.356 -10.512 8.422 1.00 0.00 H new ATOM 0 HA ALA B 79 10.023 -12.018 8.829 1.00 0.00 H new ATOM 0 HB1 ALA B 79 11.571 -13.655 9.864 1.00 0.00 H new ATOM 0 HB2 ALA B 79 12.208 -13.007 8.334 1.00 0.00 H new ATOM 0 HB3 ALA B 79 12.847 -12.415 9.886 1.00 0.00 H new ATOM 1072 N GLY B 80 11.121 -10.462 11.484 1.00 0.00 N ATOM 1073 CA GLY B 80 10.774 -10.124 12.854 1.00 0.00 C ATOM 1074 C GLY B 80 9.600 -9.174 12.940 1.00 0.00 C ATOM 1075 O GLY B 80 8.764 -9.291 13.835 1.00 0.00 O ATOM 0 H GLY B 80 11.903 -9.933 11.097 1.00 0.00 H new ATOM 0 HA2 GLY B 80 10.538 -11.037 13.401 1.00 0.00 H new ATOM 0 HA3 GLY B 80 11.638 -9.673 13.343 1.00 0.00 H new ATOM 1079 N ALA B 81 9.532 -8.227 12.011 1.00 0.00 N ATOM 1080 CA ALA B 81 8.448 -7.255 11.996 1.00 0.00 C ATOM 1081 C ALA B 81 7.136 -7.888 11.543 1.00 0.00 C ATOM 1082 O ALA B 81 6.053 -7.468 11.953 1.00 0.00 O ATOM 1083 CB ALA B 81 8.806 -6.076 11.108 1.00 0.00 C ATOM 0 H ALA B 81 10.213 -8.113 11.261 1.00 0.00 H new ATOM 0 HA ALA B 81 8.307 -6.897 13.016 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.985 -5.359 11.107 1.00 0.00 H new ATOM 0 HB2 ALA B 81 9.708 -5.596 11.487 1.00 0.00 H new ATOM 0 HB3 ALA B 81 8.982 -6.427 10.091 1.00 0.00 H new ATOM 1089 N VAL B 82 7.245 -8.907 10.704 1.00 0.00 N ATOM 1090 CA VAL B 82 6.091 -9.619 10.196 1.00 0.00 C ATOM 1091 C VAL B 82 5.378 -10.363 11.325 1.00 0.00 C ATOM 1092 O VAL B 82 4.147 -10.383 11.392 1.00 0.00 O ATOM 1093 CB VAL B 82 6.531 -10.595 9.078 1.00 0.00 C ATOM 1094 CG1 VAL B 82 5.586 -11.774 8.947 1.00 0.00 C ATOM 1095 CG2 VAL B 82 6.633 -9.862 7.749 1.00 0.00 C ATOM 0 H VAL B 82 8.137 -9.261 10.359 1.00 0.00 H new ATOM 0 HA VAL B 82 5.386 -8.902 9.775 1.00 0.00 H new ATOM 0 HB VAL B 82 7.510 -10.985 9.355 1.00 0.00 H new ATOM 0 HG11 VAL B 82 5.934 -12.432 8.151 1.00 0.00 H new ATOM 0 HG12 VAL B 82 5.559 -12.325 9.887 1.00 0.00 H new ATOM 0 HG13 VAL B 82 4.585 -11.414 8.709 1.00 0.00 H new ATOM 0 HG21 VAL B 82 6.943 -10.560 6.971 1.00 0.00 H new ATOM 0 HG22 VAL B 82 5.662 -9.440 7.491 1.00 0.00 H new ATOM 0 HG23 VAL B 82 7.367 -9.060 7.831 1.00 0.00 H new ATOM 1105 N ALA B 83 6.160 -10.955 12.223 1.00 0.00 N ATOM 1106 CA ALA B 83 5.608 -11.684 13.356 1.00 0.00 C ATOM 1107 C ALA B 83 4.884 -10.746 14.318 1.00 0.00 C ATOM 1108 O ALA B 83 4.011 -11.169 15.074 1.00 0.00 O ATOM 1109 CB ALA B 83 6.707 -12.435 14.091 1.00 0.00 C ATOM 0 H ALA B 83 7.179 -10.943 12.186 1.00 0.00 H new ATOM 0 HA ALA B 83 4.884 -12.401 12.969 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.277 -12.974 14.935 1.00 0.00 H new ATOM 0 HB2 ALA B 83 7.181 -13.143 13.411 1.00 0.00 H new ATOM 0 HB3 ALA B 83 7.451 -11.727 14.454 1.00 0.00 H new ATOM 1115 N ALA B 84 5.260 -9.471 14.293 1.00 0.00 N ATOM 1116 CA ALA B 84 4.657 -8.476 15.168 1.00 0.00 C ATOM 1117 C ALA B 84 3.285 -8.029 14.668 1.00 0.00 C ATOM 1118 O ALA B 84 2.374 -7.810 15.462 1.00 0.00 O ATOM 1119 CB ALA B 84 5.578 -7.272 15.314 1.00 0.00 C ATOM 0 H ALA B 84 5.982 -9.103 13.673 1.00 0.00 H new ATOM 0 HA ALA B 84 4.516 -8.944 16.142 1.00 0.00 H new ATOM 0 HB1 ALA B 84 5.114 -6.536 15.971 1.00 0.00 H new ATOM 0 HB2 ALA B 84 6.529 -7.591 15.741 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.751 -6.826 14.335 1.00 0.00 H new ATOM 1125 N CYS B 85 3.141 -7.877 13.355 1.00 0.00 N ATOM 1126 CA CYS B 85 1.869 -7.433 12.786 1.00 0.00 C ATOM 1127 C CYS B 85 0.924 -8.612 12.564 1.00 0.00 C ATOM 1128 O CYS B 85 -0.297 -8.447 12.556 1.00 0.00 O ATOM 1129 CB CYS B 85 2.098 -6.682 11.468 1.00 0.00 C ATOM 1130 SG CYS B 85 0.739 -5.546 11.007 1.00 0.00 S ATOM 0 H CYS B 85 3.877 -8.052 12.671 1.00 0.00 H new ATOM 0 HA CYS B 85 1.405 -6.753 13.500 1.00 0.00 H new ATOM 0 HB2 CYS B 85 3.024 -6.111 11.544 1.00 0.00 H new ATOM 0 HB3 CYS B 85 2.236 -7.409 10.668 1.00 0.00 H new ATOM 1135 N GLY B 86 1.486 -9.803 12.393 1.00 0.00 N ATOM 1136 CA GLY B 86 0.667 -10.983 12.182 1.00 0.00 C ATOM 1137 C GLY B 86 0.674 -11.442 10.739 1.00 0.00 C ATOM 1138 O GLY B 86 -0.356 -11.849 10.199 1.00 0.00 O ATOM 0 H GLY B 86 2.492 -9.973 12.397 1.00 0.00 H new ATOM 0 HA2 GLY B 86 1.028 -11.791 12.819 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -0.357 -10.770 12.487 1.00 0.00 H new ATOM 1142 N GLY B 87 1.839 -11.372 10.113 1.00 0.00 N ATOM 1143 CA GLY B 87 1.968 -11.777 8.727 1.00 0.00 C ATOM 1144 C GLY B 87 2.544 -10.670 7.875 1.00 0.00 C ATOM 1145 O GLY B 87 2.687 -9.539 8.346 1.00 0.00 O ATOM 0 H GLY B 87 2.703 -11.040 10.542 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.608 -12.657 8.663 1.00 0.00 H new ATOM 0 HA3 GLY B 87 0.991 -12.065 8.339 1.00 0.00 H new ATOM 1149 N ILE B 88 2.882 -10.979 6.625 1.00 0.00 N ATOM 1150 CA ILE B 88 3.443 -9.974 5.732 1.00 0.00 C ATOM 1151 C ILE B 88 2.415 -8.906 5.426 1.00 0.00 C ATOM 1152 O ILE B 88 1.218 -9.180 5.311 1.00 0.00 O ATOM 1153 CB ILE B 88 3.976 -10.578 4.412 1.00 0.00 C ATOM 1154 CG1 ILE B 88 2.850 -11.233 3.613 1.00 0.00 C ATOM 1155 CG2 ILE B 88 5.076 -11.587 4.696 1.00 0.00 C ATOM 1156 CD1 ILE B 88 2.788 -10.764 2.175 1.00 0.00 C ATOM 0 H ILE B 88 2.778 -11.906 6.213 1.00 0.00 H new ATOM 0 HA ILE B 88 4.292 -9.532 6.254 1.00 0.00 H new ATOM 0 HB ILE B 88 4.389 -9.766 3.813 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.983 -12.315 3.630 1.00 0.00 H new ATOM 0 HG13 ILE B 88 1.898 -11.021 4.099 1.00 0.00 H new ATOM 0 HG21 ILE B 88 5.440 -12.003 3.756 1.00 0.00 H new ATOM 0 HG22 ILE B 88 5.897 -11.094 5.217 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.681 -12.390 5.319 1.00 0.00 H new ATOM 0 HD11 ILE B 88 1.967 -11.267 1.663 1.00 0.00 H new ATOM 0 HD12 ILE B 88 2.625 -9.687 2.150 1.00 0.00 H new ATOM 0 HD13 ILE B 88 3.727 -11.000 1.674 1.00 0.00 H new ATOM 1168 N ASP B 89 2.891 -7.686 5.326 1.00 0.00 N ATOM 1169 CA ASP B 89 2.037 -6.554 5.064 1.00 0.00 C ATOM 1170 C ASP B 89 2.876 -5.439 4.459 1.00 0.00 C ATOM 1171 O ASP B 89 3.609 -5.669 3.500 1.00 0.00 O ATOM 1172 CB ASP B 89 1.380 -6.112 6.380 1.00 0.00 C ATOM 1173 CG ASP B 89 0.227 -5.163 6.184 1.00 0.00 C ATOM 1174 OD1 ASP B 89 -0.713 -5.512 5.444 1.00 0.00 O ATOM 1175 OD2 ASP B 89 0.263 -4.071 6.778 1.00 0.00 O ATOM 0 H ASP B 89 3.879 -7.452 5.424 1.00 0.00 H new ATOM 0 HA ASP B 89 1.248 -6.814 4.358 1.00 0.00 H new ATOM 0 HB2 ASP B 89 1.028 -6.994 6.916 1.00 0.00 H new ATOM 0 HB3 ASP B 89 2.131 -5.635 7.010 1.00 0.00 H new ATOM 1180 N LEU B 90 2.787 -4.260 5.053 1.00 0.00 N ATOM 1181 CA LEU B 90 3.548 -3.084 4.622 1.00 0.00 C ATOM 1182 C LEU B 90 3.059 -1.827 5.355 1.00 0.00 C ATOM 1183 O LEU B 90 3.850 -1.169 6.026 1.00 0.00 O ATOM 1184 CB LEU B 90 3.484 -2.865 3.102 1.00 0.00 C ATOM 1185 CG LEU B 90 4.382 -1.743 2.572 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.839 -1.998 2.940 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.228 -1.611 1.067 1.00 0.00 C ATOM 0 H LEU B 90 2.182 -4.084 5.855 1.00 0.00 H new ATOM 0 HA LEU B 90 4.590 -3.272 4.880 1.00 0.00 H new ATOM 0 HB2 LEU B 90 3.758 -3.795 2.604 1.00 0.00 H new ATOM 0 HB3 LEU B 90 2.453 -2.647 2.824 1.00 0.00 H new ATOM 0 HG LEU B 90 4.073 -0.807 3.037 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.459 -1.189 2.554 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.938 -2.044 4.025 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.164 -2.943 2.505 1.00 0.00 H new ATOM 0 HD21 LEU B 90 4.872 -0.810 0.704 1.00 0.00 H new ATOM 0 HD22 LEU B 90 4.511 -2.549 0.589 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.190 -1.380 0.826 1.00 0.00 H new ATOM 1199 N PRO B 91 1.748 -1.464 5.245 1.00 0.00 N ATOM 1200 CA PRO B 91 1.193 -0.272 5.913 1.00 0.00 C ATOM 1201 C PRO B 91 1.373 -0.282 7.429 1.00 0.00 C ATOM 1202 O PRO B 91 1.228 0.752 8.080 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.300 -0.300 5.567 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.571 -1.682 5.081 1.00 0.00 C ATOM 1205 CD PRO B 91 0.709 -2.166 4.464 1.00 0.00 C ATOM 0 HA PRO B 91 1.710 0.626 5.574 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -0.909 -0.064 6.440 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.539 0.439 4.802 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -0.877 -2.330 5.902 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.381 -1.687 4.352 1.00 0.00 H new ATOM 0 HD2 PRO B 91 0.809 -3.249 4.542 1.00 0.00 H new ATOM 0 HD3 PRO B 91 0.765 -1.916 3.404 1.00 0.00 H new ATOM 1213 N CYS B 92 1.680 -1.439 7.996 1.00 0.00 N ATOM 1214 CA CYS B 92 1.877 -1.536 9.429 1.00 0.00 C ATOM 1215 C CYS B 92 3.343 -1.787 9.746 1.00 0.00 C ATOM 1216 O CYS B 92 3.859 -1.339 10.765 1.00 0.00 O ATOM 1217 CB CYS B 92 1.017 -2.653 10.037 1.00 0.00 C ATOM 1218 SG CYS B 92 1.549 -4.344 9.582 1.00 0.00 S ATOM 0 H CYS B 92 1.797 -2.316 7.488 1.00 0.00 H new ATOM 0 HA CYS B 92 1.569 -0.588 9.870 1.00 0.00 H new ATOM 0 HB2 CYS B 92 1.034 -2.559 11.123 1.00 0.00 H new ATOM 0 HB3 CYS B 92 -0.017 -2.512 9.721 1.00 0.00 H new ATOM 1223 N VAL B 93 3.998 -2.529 8.870 1.00 0.00 N ATOM 1224 CA VAL B 93 5.390 -2.882 9.036 1.00 0.00 C ATOM 1225 C VAL B 93 6.324 -1.699 8.753 1.00 0.00 C ATOM 1226 O VAL B 93 7.486 -1.735 9.135 1.00 0.00 O ATOM 1227 CB VAL B 93 5.740 -4.044 8.080 1.00 0.00 C ATOM 1228 CG1 VAL B 93 7.012 -4.733 8.506 1.00 0.00 C ATOM 1229 CG2 VAL B 93 4.596 -5.046 7.993 1.00 0.00 C ATOM 0 H VAL B 93 3.574 -2.903 8.021 1.00 0.00 H new ATOM 0 HA VAL B 93 5.534 -3.180 10.075 1.00 0.00 H new ATOM 0 HB VAL B 93 5.897 -3.618 7.089 1.00 0.00 H new ATOM 0 HG11 VAL B 93 7.234 -5.546 7.815 1.00 0.00 H new ATOM 0 HG12 VAL B 93 7.834 -4.017 8.499 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.889 -5.134 9.512 1.00 0.00 H new ATOM 0 HG21 VAL B 93 4.870 -5.853 7.313 1.00 0.00 H new ATOM 0 HG22 VAL B 93 4.396 -5.457 8.983 1.00 0.00 H new ATOM 0 HG23 VAL B 93 3.702 -4.546 7.621 1.00 0.00 H new ATOM 1239 N LEU B 94 5.815 -0.678 8.062 1.00 0.00 N ATOM 1240 CA LEU B 94 6.598 0.510 7.680 1.00 0.00 C ATOM 1241 C LEU B 94 7.558 1.045 8.764 1.00 0.00 C ATOM 1242 O LEU B 94 8.600 1.612 8.430 1.00 0.00 O ATOM 1243 CB LEU B 94 5.670 1.651 7.216 1.00 0.00 C ATOM 1244 CG LEU B 94 4.329 1.802 7.959 1.00 0.00 C ATOM 1245 CD1 LEU B 94 4.532 2.159 9.426 1.00 0.00 C ATOM 1246 CD2 LEU B 94 3.467 2.862 7.283 1.00 0.00 C ATOM 0 H LEU B 94 4.845 -0.647 7.748 1.00 0.00 H new ATOM 0 HA LEU B 94 7.231 0.164 6.863 1.00 0.00 H new ATOM 0 HB2 LEU B 94 6.216 2.590 7.306 1.00 0.00 H new ATOM 0 HB3 LEU B 94 5.457 1.506 6.157 1.00 0.00 H new ATOM 0 HG LEU B 94 3.821 0.838 7.916 1.00 0.00 H new ATOM 0 HD11 LEU B 94 3.562 2.256 9.914 1.00 0.00 H new ATOM 0 HD12 LEU B 94 5.107 1.373 9.915 1.00 0.00 H new ATOM 0 HD13 LEU B 94 5.072 3.103 9.499 1.00 0.00 H new ATOM 0 HD21 LEU B 94 2.522 2.958 7.818 1.00 0.00 H new ATOM 0 HD22 LEU B 94 3.990 3.818 7.295 1.00 0.00 H new ATOM 0 HD23 LEU B 94 3.271 2.568 6.252 1.00 0.00 H new ATOM 1258 N ALA B 95 7.213 0.904 10.042 1.00 0.00 N ATOM 1259 CA ALA B 95 8.069 1.426 11.107 1.00 0.00 C ATOM 1260 C ALA B 95 9.180 0.457 11.480 1.00 0.00 C ATOM 1261 O ALA B 95 10.356 0.822 11.480 1.00 0.00 O ATOM 1262 CB ALA B 95 7.253 1.782 12.341 1.00 0.00 C ATOM 0 H ALA B 95 6.362 0.441 10.363 1.00 0.00 H new ATOM 0 HA ALA B 95 8.534 2.331 10.716 1.00 0.00 H new ATOM 0 HB1 ALA B 95 7.915 2.167 13.116 1.00 0.00 H new ATOM 0 HB2 ALA B 95 6.516 2.542 12.083 1.00 0.00 H new ATOM 0 HB3 ALA B 95 6.743 0.892 12.709 1.00 0.00 H new ATOM 1268 N ALA B 96 8.807 -0.770 11.814 1.00 0.00 N ATOM 1269 CA ALA B 96 9.780 -1.783 12.205 1.00 0.00 C ATOM 1270 C ALA B 96 10.600 -2.267 11.009 1.00 0.00 C ATOM 1271 O ALA B 96 11.659 -2.871 11.181 1.00 0.00 O ATOM 1272 CB ALA B 96 9.077 -2.954 12.879 1.00 0.00 C ATOM 0 H ALA B 96 7.838 -1.089 11.822 1.00 0.00 H new ATOM 0 HA ALA B 96 10.471 -1.327 12.914 1.00 0.00 H new ATOM 0 HB1 ALA B 96 9.814 -3.704 13.167 1.00 0.00 H new ATOM 0 HB2 ALA B 96 8.553 -2.601 13.767 1.00 0.00 H new ATOM 0 HB3 ALA B 96 8.361 -3.396 12.186 1.00 0.00 H new ATOM 1278 N LEU B 97 10.098 -2.002 9.808 1.00 0.00 N ATOM 1279 CA LEU B 97 10.760 -2.407 8.573 1.00 0.00 C ATOM 1280 C LEU B 97 12.061 -1.643 8.361 1.00 0.00 C ATOM 1281 O LEU B 97 13.048 -2.207 7.887 1.00 0.00 O ATOM 1282 CB LEU B 97 9.816 -2.173 7.395 1.00 0.00 C ATOM 1283 CG LEU B 97 10.323 -2.642 6.036 1.00 0.00 C ATOM 1284 CD1 LEU B 97 10.836 -4.066 6.115 1.00 0.00 C ATOM 1285 CD2 LEU B 97 9.217 -2.537 5.001 1.00 0.00 C ATOM 0 H LEU B 97 9.222 -1.501 9.663 1.00 0.00 H new ATOM 0 HA LEU B 97 11.008 -3.466 8.645 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.873 -2.678 7.604 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.600 -1.106 7.333 1.00 0.00 H new ATOM 0 HG LEU B 97 11.150 -1.998 5.736 1.00 0.00 H new ATOM 0 HD11 LEU B 97 11.193 -4.379 5.134 1.00 0.00 H new ATOM 0 HD12 LEU B 97 11.655 -4.118 6.832 1.00 0.00 H new ATOM 0 HD13 LEU B 97 10.030 -4.726 6.436 1.00 0.00 H new ATOM 0 HD21 LEU B 97 9.590 -2.875 4.034 1.00 0.00 H new ATOM 0 HD22 LEU B 97 8.376 -3.161 5.303 1.00 0.00 H new ATOM 0 HD23 LEU B 97 8.890 -1.500 4.922 1.00 0.00 H new ATOM 1297 N LYS B 98 12.051 -0.361 8.715 1.00 0.00 N ATOM 1298 CA LYS B 98 13.231 0.485 8.571 1.00 0.00 C ATOM 1299 C LYS B 98 14.431 -0.088 9.315 1.00 0.00 C ATOM 1300 O LYS B 98 15.517 -0.207 8.743 1.00 0.00 O ATOM 1301 CB LYS B 98 12.967 1.898 9.092 1.00 0.00 C ATOM 1302 CG LYS B 98 12.350 2.833 8.071 1.00 0.00 C ATOM 1303 CD LYS B 98 12.264 4.251 8.618 1.00 0.00 C ATOM 1304 CE LYS B 98 11.954 5.258 7.523 1.00 0.00 C ATOM 1305 NZ LYS B 98 12.992 5.241 6.453 1.00 0.00 N ATOM 0 H LYS B 98 11.237 0.115 9.104 1.00 0.00 H new ATOM 0 HA LYS B 98 13.454 0.521 7.505 1.00 0.00 H new ATOM 0 HB2 LYS B 98 12.307 1.836 9.957 1.00 0.00 H new ATOM 0 HB3 LYS B 98 13.907 2.327 9.439 1.00 0.00 H new ATOM 0 HG2 LYS B 98 12.946 2.826 7.158 1.00 0.00 H new ATOM 0 HG3 LYS B 98 11.354 2.481 7.804 1.00 0.00 H new ATOM 0 HD2 LYS B 98 11.492 4.299 9.386 1.00 0.00 H new ATOM 0 HD3 LYS B 98 13.207 4.514 9.098 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.979 5.036 7.089 1.00 0.00 H new ATOM 0 HE3 LYS B 98 11.891 6.257 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 13.276 6.216 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 13.821 4.706 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 12.604 4.789 5.600 1.00 0.00 H new ATOM 1361 N CYS B 103 16.784 -1.864 4.218 1.00 0.00 N ATOM 1362 CA CYS B 103 16.879 -3.328 4.271 1.00 0.00 C ATOM 1363 C CYS B 103 15.562 -4.000 3.870 1.00 0.00 C ATOM 1364 O CYS B 103 15.292 -5.138 4.259 1.00 0.00 O ATOM 1365 CB CYS B 103 17.296 -3.791 5.677 1.00 0.00 C ATOM 1366 SG CYS B 103 19.060 -3.524 6.110 1.00 0.00 S ATOM 0 HA CYS B 103 17.641 -3.628 3.552 1.00 0.00 H new ATOM 0 HB2 CYS B 103 16.678 -3.271 6.409 1.00 0.00 H new ATOM 0 HB3 CYS B 103 17.075 -4.854 5.770 1.00 0.00 H new ATOM 0 HG CYS B 103 19.280 -3.953 7.317 1.00 0.00 H new ATOM 1371 N ALA B 104 14.752 -3.299 3.082 1.00 0.00 N ATOM 1372 CA ALA B 104 13.475 -3.834 2.627 1.00 0.00 C ATOM 1373 C ALA B 104 13.493 -4.062 1.125 1.00 0.00 C ATOM 1374 O ALA B 104 12.444 -4.215 0.496 1.00 0.00 O ATOM 1375 CB ALA B 104 12.342 -2.892 3.003 1.00 0.00 C ATOM 0 H ALA B 104 14.959 -2.358 2.746 1.00 0.00 H new ATOM 0 HA ALA B 104 13.311 -4.793 3.119 1.00 0.00 H new ATOM 0 HB1 ALA B 104 11.395 -3.305 2.656 1.00 0.00 H new ATOM 0 HB2 ALA B 104 12.312 -2.774 4.086 1.00 0.00 H new ATOM 0 HB3 ALA B 104 12.506 -1.921 2.536 1.00 0.00 H new ATOM 1381 N SER B 105 14.694 -4.075 0.561 1.00 0.00 N ATOM 1382 CA SER B 105 14.882 -4.274 -0.869 1.00 0.00 C ATOM 1383 C SER B 105 14.290 -5.606 -1.322 1.00 0.00 C ATOM 1384 O SER B 105 13.491 -5.650 -2.253 1.00 0.00 O ATOM 1385 CB SER B 105 16.375 -4.199 -1.199 1.00 0.00 C ATOM 1386 OG SER B 105 17.151 -4.877 -0.217 1.00 0.00 O ATOM 0 H SER B 105 15.562 -3.948 1.081 1.00 0.00 H new ATOM 0 HA SER B 105 14.356 -3.486 -1.408 1.00 0.00 H new ATOM 0 HB2 SER B 105 16.557 -4.640 -2.179 1.00 0.00 H new ATOM 0 HB3 SER B 105 16.686 -3.156 -1.256 1.00 0.00 H new ATOM 0 HG SER B 105 18.101 -4.816 -0.451 1.00 0.00 H new ATOM 1392 N CYS B 106 14.679 -6.676 -0.636 1.00 0.00 N ATOM 1393 CA CYS B 106 14.193 -8.032 -0.933 1.00 0.00 C ATOM 1394 C CYS B 106 12.666 -8.092 -0.936 1.00 0.00 C ATOM 1395 O CYS B 106 12.046 -8.764 -1.758 1.00 0.00 O ATOM 1396 CB CYS B 106 14.715 -9.000 0.137 1.00 0.00 C ATOM 1397 SG CYS B 106 14.300 -8.473 1.833 1.00 0.00 S ATOM 0 H CYS B 106 15.338 -6.635 0.141 1.00 0.00 H new ATOM 0 HA CYS B 106 14.555 -8.310 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS B 106 14.298 -9.991 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS B 106 15.797 -9.088 0.044 1.00 0.00 H new ATOM 1402 N PHE B 107 12.095 -7.404 0.032 1.00 0.00 N ATOM 1403 CA PHE B 107 10.661 -7.348 0.256 1.00 0.00 C ATOM 1404 C PHE B 107 9.920 -6.579 -0.832 1.00 0.00 C ATOM 1405 O PHE B 107 9.172 -7.156 -1.620 1.00 0.00 O ATOM 1406 CB PHE B 107 10.470 -6.672 1.610 1.00 0.00 C ATOM 1407 CG PHE B 107 9.084 -6.638 2.192 1.00 0.00 C ATOM 1408 CD1 PHE B 107 7.954 -7.021 1.482 1.00 0.00 C ATOM 1409 CD2 PHE B 107 8.932 -6.192 3.489 1.00 0.00 C ATOM 1410 CE1 PHE B 107 6.704 -6.953 2.069 1.00 0.00 C ATOM 1411 CE2 PHE B 107 7.699 -6.119 4.077 1.00 0.00 C ATOM 1412 CZ PHE B 107 6.578 -6.498 3.369 1.00 0.00 C ATOM 0 H PHE B 107 12.629 -6.853 0.704 1.00 0.00 H new ATOM 0 HA PHE B 107 10.244 -8.355 0.234 1.00 0.00 H new ATOM 0 HB2 PHE B 107 11.121 -7.171 2.327 1.00 0.00 H new ATOM 0 HB3 PHE B 107 10.821 -5.644 1.522 1.00 0.00 H new ATOM 0 HD1 PHE B 107 8.052 -7.374 0.466 1.00 0.00 H new ATOM 0 HD2 PHE B 107 9.805 -5.894 4.052 1.00 0.00 H new ATOM 0 HE1 PHE B 107 5.828 -7.254 1.514 1.00 0.00 H new ATOM 0 HE2 PHE B 107 7.604 -5.765 5.093 1.00 0.00 H new ATOM 0 HZ PHE B 107 5.603 -6.440 3.829 1.00 0.00 H new ATOM 1422 N CYS B 108 10.081 -5.268 -0.825 1.00 0.00 N ATOM 1423 CA CYS B 108 9.374 -4.407 -1.758 1.00 0.00 C ATOM 1424 C CYS B 108 10.004 -4.327 -3.144 1.00 0.00 C ATOM 1425 O CYS B 108 9.921 -3.282 -3.786 1.00 0.00 O ATOM 1426 CB CYS B 108 9.270 -3.010 -1.169 1.00 0.00 C ATOM 1427 SG CYS B 108 8.594 -2.976 0.516 1.00 0.00 S ATOM 0 H CYS B 108 10.698 -4.774 -0.181 1.00 0.00 H new ATOM 0 HA CYS B 108 8.391 -4.856 -1.901 1.00 0.00 H new ATOM 0 HB2 CYS B 108 10.260 -2.553 -1.163 1.00 0.00 H new ATOM 0 HB3 CYS B 108 8.641 -2.399 -1.816 1.00 0.00 H new ATOM 1432 N GLU B 109 10.587 -5.415 -3.633 1.00 0.00 N ATOM 1433 CA GLU B 109 11.166 -5.410 -4.974 1.00 0.00 C ATOM 1434 C GLU B 109 10.078 -5.110 -5.987 1.00 0.00 C ATOM 1435 O GLU B 109 10.119 -4.099 -6.691 1.00 0.00 O ATOM 1436 CB GLU B 109 11.799 -6.759 -5.301 1.00 0.00 C ATOM 1437 CG GLU B 109 13.279 -6.817 -5.011 1.00 0.00 C ATOM 1438 CD GLU B 109 14.098 -6.074 -6.044 1.00 0.00 C ATOM 1439 OE1 GLU B 109 13.968 -6.393 -7.240 1.00 0.00 O ATOM 1440 OE2 GLU B 109 14.868 -5.170 -5.661 1.00 0.00 O ATOM 0 H GLU B 109 10.672 -6.299 -3.132 1.00 0.00 H new ATOM 0 HA GLU B 109 11.941 -4.645 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU B 109 11.294 -7.537 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU B 109 11.635 -6.982 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.470 -6.393 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU B 109 13.600 -7.858 -4.977 1.00 0.00 H new ATOM 1447 N ASP B 110 9.086 -5.984 -6.021 1.00 0.00 N ATOM 1448 CA ASP B 110 7.951 -5.813 -6.906 1.00 0.00 C ATOM 1449 C ASP B 110 6.823 -5.160 -6.115 1.00 0.00 C ATOM 1450 O ASP B 110 5.744 -4.885 -6.636 1.00 0.00 O ATOM 1451 CB ASP B 110 7.503 -7.160 -7.479 1.00 0.00 C ATOM 1452 CG ASP B 110 6.769 -7.021 -8.795 1.00 0.00 C ATOM 1453 OD1 ASP B 110 6.673 -5.889 -9.309 1.00 0.00 O ATOM 1454 OD2 ASP B 110 6.300 -8.048 -9.325 1.00 0.00 O ATOM 0 H ASP B 110 9.046 -6.823 -5.442 1.00 0.00 H new ATOM 0 HA ASP B 110 8.229 -5.178 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP B 110 8.375 -7.798 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP B 110 6.856 -7.660 -6.758 1.00 0.00 H new ATOM 1459 N HIS B 111 7.103 -4.900 -4.837 1.00 0.00 N ATOM 1460 CA HIS B 111 6.133 -4.256 -3.951 1.00 0.00 C ATOM 1461 C HIS B 111 6.573 -2.831 -3.647 1.00 0.00 C ATOM 1462 O HIS B 111 6.454 -2.356 -2.517 1.00 0.00 O ATOM 1463 CB HIS B 111 5.975 -5.018 -2.628 1.00 0.00 C ATOM 1464 CG HIS B 111 5.539 -6.439 -2.775 1.00 0.00 C ATOM 1465 ND1 HIS B 111 4.488 -6.826 -3.575 1.00 0.00 N ATOM 1466 CD2 HIS B 111 6.001 -7.569 -2.191 1.00 0.00 C ATOM 1467 CE1 HIS B 111 4.320 -8.132 -3.479 1.00 0.00 C ATOM 1468 NE2 HIS B 111 5.226 -8.609 -2.645 1.00 0.00 N ATOM 0 H HIS B 111 7.993 -5.125 -4.393 1.00 0.00 H new ATOM 0 HA HIS B 111 5.173 -4.256 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS B 111 6.926 -4.997 -2.096 1.00 0.00 H new ATOM 0 HB3 HIS B 111 5.251 -4.492 -2.006 1.00 0.00 H new ATOM 0 HD2 HIS B 111 6.826 -7.640 -1.497 1.00 0.00 H new ATOM 0 HE1 HIS B 111 3.569 -8.712 -3.995 1.00 0.00 H new ATOM 0 HE2 HIS B 111 5.333 -9.588 -2.381 1.00 0.00 H new ATOM 1476 N CYS B 112 7.099 -2.152 -4.649 1.00 0.00 N ATOM 1477 CA CYS B 112 7.565 -0.786 -4.467 1.00 0.00 C ATOM 1478 C CYS B 112 6.495 0.194 -4.942 1.00 0.00 C ATOM 1479 O CYS B 112 6.773 1.104 -5.720 1.00 0.00 O ATOM 1480 CB CYS B 112 8.879 -0.577 -5.231 1.00 0.00 C ATOM 1481 SG CYS B 112 9.981 0.690 -4.515 1.00 0.00 S ATOM 0 H CYS B 112 7.215 -2.520 -5.593 1.00 0.00 H new ATOM 0 HA CYS B 112 7.752 -0.604 -3.409 1.00 0.00 H new ATOM 0 HB2 CYS B 112 9.415 -1.525 -5.272 1.00 0.00 H new ATOM 0 HB3 CYS B 112 8.646 -0.298 -6.259 1.00 0.00 H new ATOM 1486 N HIS B 113 5.262 -0.017 -4.482 1.00 0.00 N ATOM 1487 CA HIS B 113 4.140 0.826 -4.871 1.00 0.00 C ATOM 1488 C HIS B 113 3.441 1.452 -3.658 1.00 0.00 C ATOM 1489 O HIS B 113 2.923 2.567 -3.743 1.00 0.00 O ATOM 1490 CB HIS B 113 3.131 0.016 -5.703 1.00 0.00 C ATOM 1491 CG HIS B 113 2.560 -1.177 -4.990 1.00 0.00 C ATOM 1492 ND1 HIS B 113 3.328 -2.233 -4.547 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.287 -1.467 -4.632 1.00 0.00 C ATOM 1494 CE1 HIS B 113 2.554 -3.120 -3.946 1.00 0.00 C ATOM 1495 NE2 HIS B 113 1.310 -2.679 -3.984 1.00 0.00 N ATOM 0 H HIS B 113 5.018 -0.769 -3.837 1.00 0.00 H new ATOM 0 HA HIS B 113 4.539 1.641 -5.475 1.00 0.00 H new ATOM 0 HB2 HIS B 113 2.313 0.672 -6.001 1.00 0.00 H new ATOM 0 HB3 HIS B 113 3.619 -0.321 -6.618 1.00 0.00 H new ATOM 0 HD2 HIS B 113 0.415 -0.859 -4.821 1.00 0.00 H new ATOM 0 HE1 HIS B 113 2.883 -4.047 -3.500 1.00 0.00 H new ATOM 0 HE2 HIS B 113 0.498 -3.159 -3.596 1.00 0.00 H new ATOM 1503 N GLY B 114 3.412 0.728 -2.541 1.00 0.00 N ATOM 1504 CA GLY B 114 2.752 1.230 -1.341 1.00 0.00 C ATOM 1505 C GLY B 114 3.641 2.122 -0.491 1.00 0.00 C ATOM 1506 O GLY B 114 4.482 2.852 -1.017 1.00 0.00 O ATOM 0 H GLY B 114 3.832 -0.196 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.862 1.788 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY B 114 2.417 0.385 -0.740 1.00 0.00 H new ATOM 1510 N VAL B 115 3.456 2.061 0.831 1.00 0.00 N ATOM 1511 CA VAL B 115 4.240 2.872 1.771 1.00 0.00 C ATOM 1512 C VAL B 115 5.672 2.327 1.926 1.00 0.00 C ATOM 1513 O VAL B 115 6.275 2.357 2.998 1.00 0.00 O ATOM 1514 CB VAL B 115 3.514 2.971 3.144 1.00 0.00 C ATOM 1515 CG1 VAL B 115 3.499 1.634 3.885 1.00 0.00 C ATOM 1516 CG2 VAL B 115 4.124 4.070 4.005 1.00 0.00 C ATOM 0 H VAL B 115 2.767 1.456 1.277 1.00 0.00 H new ATOM 0 HA VAL B 115 4.324 3.879 1.362 1.00 0.00 H new ATOM 0 HB VAL B 115 2.476 3.234 2.941 1.00 0.00 H new ATOM 0 HG11 VAL B 115 2.982 1.752 4.837 1.00 0.00 H new ATOM 0 HG12 VAL B 115 2.981 0.889 3.281 1.00 0.00 H new ATOM 0 HG13 VAL B 115 4.523 1.307 4.066 1.00 0.00 H new ATOM 0 HG21 VAL B 115 3.599 4.119 4.959 1.00 0.00 H new ATOM 0 HG22 VAL B 115 5.177 3.852 4.181 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.033 5.027 3.492 1.00 0.00 H new ATOM 1526 N CYS B 116 6.222 1.853 0.825 1.00 0.00 N ATOM 1527 CA CYS B 116 7.573 1.334 0.810 1.00 0.00 C ATOM 1528 C CYS B 116 8.403 2.143 -0.175 1.00 0.00 C ATOM 1529 O CYS B 116 9.618 2.265 -0.035 1.00 0.00 O ATOM 1530 CB CYS B 116 7.570 -0.143 0.431 1.00 0.00 C ATOM 1531 SG CYS B 116 8.969 -1.081 1.112 1.00 0.00 S ATOM 0 H CYS B 116 5.748 1.817 -0.077 1.00 0.00 H new ATOM 0 HA CYS B 116 8.011 1.422 1.804 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.640 -0.595 0.776 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.582 -0.229 -0.656 1.00 0.00 H new ATOM 1536 N LYS B 117 7.721 2.725 -1.161 1.00 0.00 N ATOM 1537 CA LYS B 117 8.378 3.562 -2.159 1.00 0.00 C ATOM 1538 C LYS B 117 8.339 5.017 -1.721 1.00 0.00 C ATOM 1539 O LYS B 117 8.968 5.873 -2.340 1.00 0.00 O ATOM 1540 CB LYS B 117 7.703 3.435 -3.533 1.00 0.00 C ATOM 1541 CG LYS B 117 6.204 3.716 -3.520 1.00 0.00 C ATOM 1542 CD LYS B 117 5.832 4.863 -4.455 1.00 0.00 C ATOM 1543 CE LYS B 117 6.317 6.196 -3.906 1.00 0.00 C ATOM 1544 NZ LYS B 117 5.915 7.355 -4.745 1.00 0.00 N ATOM 0 H LYS B 117 6.713 2.631 -1.288 1.00 0.00 H new ATOM 0 HA LYS B 117 9.410 3.223 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS B 117 8.185 4.124 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS B 117 7.870 2.428 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.664 2.817 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS B 117 5.889 3.958 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS B 117 6.269 4.691 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS B 117 4.750 4.892 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS B 117 5.924 6.331 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS B 117 7.404 6.174 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 6.275 8.233 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 6.311 7.246 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 4.878 7.398 -4.803 1.00 0.00 H new ATOM 1558 N ASP B 118 7.566 5.284 -0.665 1.00 0.00 N ATOM 1559 CA ASP B 118 7.403 6.634 -0.131 1.00 0.00 C ATOM 1560 C ASP B 118 8.765 7.301 0.074 1.00 0.00 C ATOM 1561 O ASP B 118 9.018 8.390 -0.441 1.00 0.00 O ATOM 1562 CB ASP B 118 6.600 6.574 1.174 1.00 0.00 C ATOM 1563 CG ASP B 118 6.353 7.940 1.774 1.00 0.00 C ATOM 1564 OD1 ASP B 118 6.431 8.937 1.031 1.00 0.00 O ATOM 1565 OD2 ASP B 118 6.049 8.010 2.980 1.00 0.00 O ATOM 0 H ASP B 118 7.039 4.572 -0.160 1.00 0.00 H new ATOM 0 HA ASP B 118 6.851 7.243 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP B 118 5.643 6.087 0.984 1.00 0.00 H new ATOM 0 HB3 ASP B 118 7.134 5.956 1.896 1.00 0.00 H new ATOM 1570 N LEU B 119 9.655 6.620 0.777 1.00 0.00 N ATOM 1571 CA LEU B 119 11.003 7.126 0.988 1.00 0.00 C ATOM 1572 C LEU B 119 11.973 6.306 0.141 1.00 0.00 C ATOM 1573 O LEU B 119 12.020 6.454 -1.082 1.00 0.00 O ATOM 1574 CB LEU B 119 11.390 7.066 2.470 1.00 0.00 C ATOM 1575 CG LEU B 119 10.639 8.035 3.385 1.00 0.00 C ATOM 1576 CD1 LEU B 119 11.103 7.870 4.822 1.00 0.00 C ATOM 1577 CD2 LEU B 119 10.838 9.470 2.920 1.00 0.00 C ATOM 0 H LEU B 119 9.469 5.716 1.211 1.00 0.00 H new ATOM 0 HA LEU B 119 11.047 8.172 0.686 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.224 6.051 2.830 1.00 0.00 H new ATOM 0 HB3 LEU B 119 12.458 7.265 2.557 1.00 0.00 H new ATOM 0 HG LEU B 119 9.575 7.804 3.337 1.00 0.00 H new ATOM 0 HD11 LEU B 119 10.560 8.566 5.462 1.00 0.00 H new ATOM 0 HD12 LEU B 119 10.911 6.849 5.151 1.00 0.00 H new ATOM 0 HD13 LEU B 119 12.171 8.077 4.885 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.297 10.146 3.582 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.900 9.715 2.941 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.460 9.579 1.903 1.00 0.00 H new ATOM 1589 N HIS B 120 12.713 5.414 0.783 1.00 0.00 N ATOM 1590 CA HIS B 120 13.639 4.547 0.078 1.00 0.00 C ATOM 1591 C HIS B 120 13.801 3.238 0.835 1.00 0.00 C ATOM 1592 O HIS B 120 14.627 3.123 1.745 1.00 0.00 O ATOM 1593 CB HIS B 120 15.003 5.220 -0.132 1.00 0.00 C ATOM 1594 CG HIS B 120 15.897 4.460 -1.068 1.00 0.00 C ATOM 1595 ND1 HIS B 120 16.447 3.238 -0.754 1.00 0.00 N ATOM 1596 CD2 HIS B 120 16.299 4.733 -2.333 1.00 0.00 C ATOM 1597 CE1 HIS B 120 17.144 2.788 -1.779 1.00 0.00 C ATOM 1598 NE2 HIS B 120 17.072 3.674 -2.755 1.00 0.00 N ATOM 0 H HIS B 120 12.688 5.273 1.793 1.00 0.00 H new ATOM 0 HA HIS B 120 13.223 4.343 -0.909 1.00 0.00 H new ATOM 0 HB2 HIS B 120 14.849 6.226 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS B 120 15.502 5.325 0.832 1.00 0.00 H new ATOM 0 HD2 HIS B 120 16.058 5.617 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS B 120 17.683 1.853 -1.814 1.00 0.00 H new ATOM 0 HE2 HIS B 120 17.515 3.589 -3.670 1.00 0.00 H new ATOM 1606 N LEU B 121 13.000 2.256 0.456 1.00 0.00 N ATOM 1607 CA LEU B 121 13.040 0.947 1.079 1.00 0.00 C ATOM 1608 C LEU B 121 13.337 -0.120 0.031 1.00 0.00 C ATOM 1609 O LEU B 121 13.917 -1.158 0.337 1.00 0.00 O ATOM 1610 CB LEU B 121 11.720 0.633 1.800 1.00 0.00 C ATOM 1611 CG LEU B 121 11.649 1.029 3.284 1.00 0.00 C ATOM 1612 CD1 LEU B 121 11.837 2.522 3.475 1.00 0.00 C ATOM 1613 CD2 LEU B 121 10.323 0.593 3.885 1.00 0.00 C ATOM 0 H LEU B 121 12.308 2.344 -0.288 1.00 0.00 H new ATOM 0 HA LEU B 121 13.836 0.949 1.824 1.00 0.00 H new ATOM 0 HB2 LEU B 121 10.912 1.138 1.271 1.00 0.00 H new ATOM 0 HB3 LEU B 121 11.532 -0.438 1.721 1.00 0.00 H new ATOM 0 HG LEU B 121 12.463 0.519 3.799 1.00 0.00 H new ATOM 0 HD11 LEU B 121 11.780 2.763 4.537 1.00 0.00 H new ATOM 0 HD12 LEU B 121 12.811 2.819 3.087 1.00 0.00 H new ATOM 0 HD13 LEU B 121 11.054 3.059 2.939 1.00 0.00 H new ATOM 0 HD21 LEU B 121 10.288 0.880 4.936 1.00 0.00 H new ATOM 0 HD22 LEU B 121 9.505 1.075 3.350 1.00 0.00 H new ATOM 0 HD23 LEU B 121 10.224 -0.489 3.801 1.00 0.00 H new ATOM 1625 N CYS B 122 12.945 0.154 -1.210 1.00 0.00 N ATOM 1626 CA CYS B 122 13.180 -0.770 -2.314 1.00 0.00 C ATOM 1627 C CYS B 122 14.109 -0.150 -3.350 1.00 0.00 C ATOM 1628 O CYS B 122 14.075 1.084 -3.514 1.00 0.00 O ATOM 1629 CB CYS B 122 11.857 -1.183 -2.971 1.00 0.00 C ATOM 1630 SG CYS B 122 10.464 -0.033 -2.676 1.00 0.00 S ATOM 1631 OXT CYS B 122 14.868 -0.903 -3.992 1.00 0.00 O ATOM 0 H CYS B 122 12.462 1.012 -1.476 1.00 0.00 H new ATOM 0 HA CYS B 122 13.658 -1.661 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS B 122 12.014 -1.274 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS B 122 11.578 -2.171 -2.605 1.00 0.00 H new