USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 159:sc= 2.55 USER MOD Set 1.2: A 21 CYS SG : rot -34:sc= -0.579 USER MOD Set 1.3: A 39 CYS SG : rot 78:sc= 0.714 USER MOD Set 1.4: A 42 CYS SG : rot 121:sc= -0.141 USER MOD Set 2.1: A 33 CYS SG : rot 70:sc= -11! USER MOD Set 2.2: A 34 CYS SG : rot -115:sc= 0.781 USER MOD Set 2.3: A 36 ASN : amide:sc= -0.755 X(o=-16,f=-16) USER MOD Set 2.4: A 55 CYS SG : rot 142:sc= -1.11 USER MOD Set 2.5: A 58 CYS SG : rot -69:sc= -2.97! USER MOD Set 2.6: A 60 GLN : amide:sc= -0.954 K(o=-16,f=-17!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -127:sc= -0.035 (180deg=-2.02!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 130:sc= -0.94 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 28:sc= 0.693 USER MOD Single : A 53 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.47) USER MOD Single : A 61 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 0.984 -11.581 -5.023 1.00 0.00 N ATOM 180 CA LEU A 16 0.166 -11.391 -3.829 1.00 0.00 C ATOM 181 C LEU A 16 0.986 -10.775 -2.700 1.00 0.00 C ATOM 182 O LEU A 16 0.816 -11.127 -1.532 1.00 0.00 O ATOM 183 CB LEU A 16 -0.425 -12.727 -3.374 1.00 0.00 C ATOM 184 CG LEU A 16 -1.444 -13.366 -4.319 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.532 -14.864 -4.074 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.808 -12.715 -4.152 1.00 0.00 C ATOM 0 HA LEU A 16 -0.645 -10.708 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.393 -13.431 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.901 -12.580 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.111 -13.205 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.262 -15.302 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.556 -15.319 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.841 -15.047 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.520 -13.182 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.149 -12.844 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.734 -11.651 -4.379 1.00 0.00 H new ATOM 198 N LEU A 17 1.872 -9.852 -3.055 1.00 0.00 N ATOM 199 CA LEU A 17 2.717 -9.183 -2.071 1.00 0.00 C ATOM 200 C LEU A 17 2.893 -7.708 -2.418 1.00 0.00 C ATOM 201 O LEU A 17 2.833 -7.321 -3.585 1.00 0.00 O ATOM 202 CB LEU A 17 4.083 -9.866 -1.995 1.00 0.00 C ATOM 203 CG LEU A 17 4.072 -11.349 -1.620 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.448 -11.962 -1.826 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.614 -11.531 -0.180 1.00 0.00 C ATOM 0 H LEU A 17 2.025 -9.549 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 17 2.227 -9.254 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.574 -9.760 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.694 -9.332 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 17 3.367 -11.864 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.421 -13.017 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.737 -11.864 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.174 -11.445 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.612 -12.592 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.294 -11.002 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.607 -11.129 -0.065 1.00 0.00 H new ATOM 217 N CYS A 18 3.109 -6.887 -1.396 1.00 0.00 N ATOM 218 CA CYS A 18 3.295 -5.455 -1.590 1.00 0.00 C ATOM 219 C CYS A 18 4.714 -5.149 -2.060 1.00 0.00 C ATOM 220 O CYS A 18 5.632 -5.946 -1.858 1.00 0.00 O ATOM 221 CB CYS A 18 3.003 -4.700 -0.290 1.00 0.00 C ATOM 222 SG CYS A 18 4.275 -4.914 0.996 1.00 0.00 S ATOM 0 H CYS A 18 3.160 -7.190 -0.423 1.00 0.00 H new ATOM 0 HA CYS A 18 2.597 -5.125 -2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.903 -3.638 -0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.043 -5.034 0.104 1.00 0.00 H new ATOM 0 HG CYS A 18 4.194 -3.940 1.853 1.00 0.00 H new ATOM 227 N LEU A 19 4.887 -3.991 -2.688 1.00 0.00 N ATOM 228 CA LEU A 19 6.194 -3.580 -3.188 1.00 0.00 C ATOM 229 C LEU A 19 6.883 -2.640 -2.201 1.00 0.00 C ATOM 230 O LEU A 19 7.502 -1.653 -2.599 1.00 0.00 O ATOM 231 CB LEU A 19 6.050 -2.893 -4.547 1.00 0.00 C ATOM 232 CG LEU A 19 5.117 -3.576 -5.547 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.725 -2.612 -6.656 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.774 -4.820 -6.127 1.00 0.00 C ATOM 0 H LEU A 19 4.139 -3.320 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 19 6.809 -4.473 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.692 -1.877 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.039 -2.814 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 19 4.212 -3.880 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.061 -3.116 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.213 -1.751 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.620 -2.277 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.095 -5.293 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.695 -4.540 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.003 -5.519 -5.323 1.00 0.00 H new ATOM 246 N ILE A 20 6.771 -2.956 -0.916 1.00 0.00 N ATOM 247 CA ILE A 20 7.386 -2.142 0.125 1.00 0.00 C ATOM 248 C ILE A 20 8.097 -3.014 1.155 1.00 0.00 C ATOM 249 O ILE A 20 9.327 -3.034 1.225 1.00 0.00 O ATOM 250 CB ILE A 20 6.343 -1.266 0.844 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.848 -0.158 -0.088 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.935 -0.671 2.113 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.636 0.579 0.439 1.00 0.00 C ATOM 0 H ILE A 20 6.261 -3.769 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 20 8.114 -1.497 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 20 5.494 -1.891 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.655 0.556 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.606 -0.592 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.186 -0.055 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.245 -1.474 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.799 -0.057 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.341 1.350 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.814 -0.123 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.879 1.042 1.395 1.00 0.00 H new ATOM 265 N CYS A 21 7.316 -3.733 1.954 1.00 0.00 N ATOM 266 CA CYS A 21 7.869 -4.608 2.981 1.00 0.00 C ATOM 267 C CYS A 21 7.803 -6.068 2.544 1.00 0.00 C ATOM 268 O CYS A 21 8.375 -6.948 3.189 1.00 0.00 O ATOM 269 CB CYS A 21 7.115 -4.423 4.298 1.00 0.00 C ATOM 270 SG CYS A 21 5.470 -5.206 4.330 1.00 0.00 S ATOM 0 H CYS A 21 6.297 -3.727 1.910 1.00 0.00 H new ATOM 0 HA CYS A 21 8.915 -4.338 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.717 -4.833 5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.002 -3.357 4.493 1.00 0.00 H new ATOM 0 HG CYS A 21 4.940 -5.150 3.144 1.00 0.00 H new ATOM 275 N LYS A 22 7.103 -6.320 1.444 1.00 0.00 N ATOM 276 CA LYS A 22 6.962 -7.672 0.917 1.00 0.00 C ATOM 277 C LYS A 22 6.267 -8.579 1.928 1.00 0.00 C ATOM 278 O LYS A 22 6.756 -9.666 2.240 1.00 0.00 O ATOM 279 CB LYS A 22 8.335 -8.247 0.559 1.00 0.00 C ATOM 280 CG LYS A 22 9.140 -7.362 -0.375 1.00 0.00 C ATOM 281 CD LYS A 22 8.511 -7.289 -1.756 1.00 0.00 C ATOM 282 CE LYS A 22 9.018 -8.404 -2.659 1.00 0.00 C ATOM 283 NZ LYS A 22 8.019 -8.770 -3.701 1.00 0.00 N ATOM 0 H LYS A 22 6.623 -5.604 0.899 1.00 0.00 H new ATOM 0 HA LYS A 22 6.349 -7.623 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.903 -8.405 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.201 -9.224 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.213 -6.359 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.156 -7.748 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.427 -7.356 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.735 -6.323 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.945 -8.090 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.252 -9.281 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.401 -9.533 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.143 -9.094 -3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.814 -7.939 -4.292 1.00 0.00 H new ATOM 297 N ASP A 23 5.126 -8.127 2.435 1.00 0.00 N ATOM 298 CA ASP A 23 4.363 -8.899 3.409 1.00 0.00 C ATOM 299 C ASP A 23 2.902 -9.017 2.984 1.00 0.00 C ATOM 300 O ASP A 23 2.316 -8.062 2.474 1.00 0.00 O ATOM 301 CB ASP A 23 4.454 -8.250 4.791 1.00 0.00 C ATOM 302 CG ASP A 23 3.857 -9.120 5.880 1.00 0.00 C ATOM 303 OD1 ASP A 23 4.514 -10.103 6.280 1.00 0.00 O ATOM 304 OD2 ASP A 23 2.732 -8.818 6.331 1.00 0.00 O ATOM 0 H ASP A 23 4.709 -7.230 2.188 1.00 0.00 H new ATOM 0 HA ASP A 23 4.791 -9.900 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.499 -8.046 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.938 -7.290 4.773 1.00 0.00 H new ATOM 309 N ILE A 24 2.322 -10.193 3.198 1.00 0.00 N ATOM 310 CA ILE A 24 0.931 -10.435 2.837 1.00 0.00 C ATOM 311 C ILE A 24 0.053 -9.243 3.203 1.00 0.00 C ATOM 312 O ILE A 24 0.010 -8.822 4.358 1.00 0.00 O ATOM 313 CB ILE A 24 0.381 -11.695 3.530 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.220 -12.918 3.155 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.078 -11.912 3.156 1.00 0.00 C ATOM 316 CD1 ILE A 24 2.319 -13.225 4.148 1.00 0.00 C ATOM 0 H ILE A 24 2.794 -10.993 3.620 1.00 0.00 H new ATOM 0 HA ILE A 24 0.906 -10.584 1.757 1.00 0.00 H new ATOM 0 HB ILE A 24 0.442 -11.553 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.565 -13.785 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.664 -12.757 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.452 -12.807 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.666 -11.049 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.162 -12.036 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.873 -14.104 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.997 -12.374 4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.881 -13.419 5.127 1.00 0.00 H new ATOM 328 N MET A 25 -0.647 -8.705 2.209 1.00 0.00 N ATOM 329 CA MET A 25 -1.528 -7.563 2.428 1.00 0.00 C ATOM 330 C MET A 25 -2.874 -8.013 2.986 1.00 0.00 C ATOM 331 O MET A 25 -3.634 -8.712 2.316 1.00 0.00 O ATOM 332 CB MET A 25 -1.735 -6.795 1.120 1.00 0.00 C ATOM 333 CG MET A 25 -0.438 -6.392 0.440 1.00 0.00 C ATOM 334 SD MET A 25 0.216 -7.685 -0.633 1.00 0.00 S ATOM 335 CE MET A 25 -0.930 -7.594 -2.008 1.00 0.00 C ATOM 0 H MET A 25 -0.621 -9.041 1.246 1.00 0.00 H new ATOM 0 HA MET A 25 -1.055 -6.905 3.157 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.318 -7.411 0.435 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.323 -5.900 1.323 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.606 -5.489 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.304 -6.146 1.199 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.343 -8.583 -2.203 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.738 -6.905 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.406 -7.238 -2.895 1.00 0.00 H new ATOM 345 N THR A 26 -3.164 -7.607 4.219 1.00 0.00 N ATOM 346 CA THR A 26 -4.417 -7.970 4.868 1.00 0.00 C ATOM 347 C THR A 26 -5.612 -7.393 4.117 1.00 0.00 C ATOM 348 O THR A 26 -6.610 -8.079 3.900 1.00 0.00 O ATOM 349 CB THR A 26 -4.456 -7.478 6.327 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.696 -7.853 6.937 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.288 -5.968 6.395 1.00 0.00 C ATOM 0 H THR A 26 -2.547 -7.027 4.788 1.00 0.00 H new ATOM 0 HA THR A 26 -4.476 -9.058 4.857 1.00 0.00 H new ATOM 0 HB THR A 26 -3.631 -7.943 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.713 -7.538 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.319 -5.645 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.330 -5.688 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.094 -5.487 5.842 1.00 0.00 H new ATOM 359 N ASP A 27 -5.503 -6.129 3.722 1.00 0.00 N ATOM 360 CA ASP A 27 -6.574 -5.461 2.994 1.00 0.00 C ATOM 361 C ASP A 27 -6.042 -4.811 1.720 1.00 0.00 C ATOM 362 O ASP A 27 -5.818 -3.602 1.675 1.00 0.00 O ATOM 363 CB ASP A 27 -7.240 -4.405 3.879 1.00 0.00 C ATOM 364 CG ASP A 27 -8.017 -5.020 5.027 1.00 0.00 C ATOM 365 OD1 ASP A 27 -9.022 -5.712 4.760 1.00 0.00 O ATOM 366 OD2 ASP A 27 -7.622 -4.808 6.192 1.00 0.00 O ATOM 0 H ASP A 27 -4.683 -5.547 3.894 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.314 -6.212 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.478 -3.735 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.912 -3.798 3.273 1.00 0.00 H new ATOM 371 N ALA A 28 -5.843 -5.623 0.687 1.00 0.00 N ATOM 372 CA ALA A 28 -5.338 -5.128 -0.588 1.00 0.00 C ATOM 373 C ALA A 28 -6.022 -3.822 -0.978 1.00 0.00 C ATOM 374 O ALA A 28 -7.237 -3.777 -1.165 1.00 0.00 O ATOM 375 CB ALA A 28 -5.534 -6.174 -1.675 1.00 0.00 C ATOM 0 H ALA A 28 -6.024 -6.627 0.708 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.272 -4.931 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.153 -5.791 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.994 -7.082 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.596 -6.399 -1.776 1.00 0.00 H new ATOM 381 N VAL A 29 -5.232 -2.759 -1.099 1.00 0.00 N ATOM 382 CA VAL A 29 -5.760 -1.452 -1.467 1.00 0.00 C ATOM 383 C VAL A 29 -5.061 -0.906 -2.707 1.00 0.00 C ATOM 384 O VAL A 29 -3.841 -0.744 -2.725 1.00 0.00 O ATOM 385 CB VAL A 29 -5.606 -0.439 -0.317 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.475 -0.839 0.866 1.00 0.00 C ATOM 387 CG2 VAL A 29 -4.147 -0.322 0.098 1.00 0.00 C ATOM 0 H VAL A 29 -4.224 -2.779 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.820 -1.589 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.939 0.537 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.353 -0.112 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.520 -0.867 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.175 -1.825 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.057 0.398 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.785 -1.294 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.553 0.014 -0.752 1.00 0.00 H new ATOM 397 N VAL A 30 -5.843 -0.623 -3.745 1.00 0.00 N ATOM 398 CA VAL A 30 -5.299 -0.092 -4.990 1.00 0.00 C ATOM 399 C VAL A 30 -5.325 1.432 -4.996 1.00 0.00 C ATOM 400 O VAL A 30 -6.377 2.045 -4.808 1.00 0.00 O ATOM 401 CB VAL A 30 -6.080 -0.614 -6.210 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.542 0.002 -7.492 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.018 -2.133 -6.273 1.00 0.00 C ATOM 0 H VAL A 30 -6.855 -0.753 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.266 -0.434 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.124 -0.320 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.106 -0.379 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.643 1.086 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.490 -0.259 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.575 -2.484 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.979 -2.452 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.455 -2.553 -5.367 1.00 0.00 H new ATOM 413 N ILE A 31 -4.164 2.037 -5.215 1.00 0.00 N ATOM 414 CA ILE A 31 -4.055 3.490 -5.248 1.00 0.00 C ATOM 415 C ILE A 31 -4.474 4.043 -6.605 1.00 0.00 C ATOM 416 O ILE A 31 -4.113 3.513 -7.658 1.00 0.00 O ATOM 417 CB ILE A 31 -2.619 3.954 -4.939 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.631 5.363 -4.344 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.767 3.913 -6.199 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.290 5.801 -3.797 1.00 0.00 C ATOM 0 H ILE A 31 -3.285 1.544 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.726 3.873 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.184 3.275 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.950 6.069 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.371 5.405 -3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.755 4.244 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.736 2.894 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.199 4.572 -6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.374 6.809 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.978 5.117 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.550 5.792 -4.597 1.00 0.00 H new ATOM 432 N PRO A 32 -5.254 5.134 -6.585 1.00 0.00 N ATOM 433 CA PRO A 32 -5.738 5.784 -7.807 1.00 0.00 C ATOM 434 C PRO A 32 -4.619 6.478 -8.577 1.00 0.00 C ATOM 435 O PRO A 32 -4.490 6.309 -9.790 1.00 0.00 O ATOM 436 CB PRO A 32 -6.746 6.811 -7.286 1.00 0.00 C ATOM 437 CG PRO A 32 -6.308 7.099 -5.892 1.00 0.00 C ATOM 438 CD PRO A 32 -5.723 5.817 -5.369 1.00 0.00 C ATOM 0 HA PRO A 32 -6.163 5.067 -8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.742 7.714 -7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.761 6.415 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.570 7.901 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.148 7.424 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.906 6.003 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.467 5.224 -4.837 1.00 0.00 H new ATOM 446 N CYS A 33 -3.813 7.258 -7.864 1.00 0.00 N ATOM 447 CA CYS A 33 -2.705 7.977 -8.481 1.00 0.00 C ATOM 448 C CYS A 33 -2.126 7.187 -9.650 1.00 0.00 C ATOM 449 O CYS A 33 -1.968 7.714 -10.752 1.00 0.00 O ATOM 450 CB CYS A 33 -1.612 8.254 -7.446 1.00 0.00 C ATOM 451 SG CYS A 33 -1.001 6.764 -6.593 1.00 0.00 S ATOM 0 H CYS A 33 -3.906 7.408 -6.859 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.086 8.925 -8.861 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.774 8.746 -7.941 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.998 8.952 -6.703 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.326 6.032 -7.428 1.00 0.00 H new ATOM 456 N CYS A 34 -1.813 5.919 -9.404 1.00 0.00 N ATOM 457 CA CYS A 34 -1.251 5.056 -10.435 1.00 0.00 C ATOM 458 C CYS A 34 -1.932 3.689 -10.428 1.00 0.00 C ATOM 459 O CYS A 34 -2.466 3.246 -11.445 1.00 0.00 O ATOM 460 CB CYS A 34 0.255 4.888 -10.225 1.00 0.00 C ATOM 461 SG CYS A 34 0.718 4.372 -8.540 1.00 0.00 S ATOM 0 H CYS A 34 -1.939 5.467 -8.499 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.425 5.526 -11.403 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.630 4.151 -10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.750 5.832 -10.454 1.00 0.00 H new ATOM 0 HG CYS A 34 1.409 5.315 -7.972 1.00 0.00 H new ATOM 466 N GLY A 35 -1.908 3.026 -9.277 1.00 0.00 N ATOM 467 CA GLY A 35 -2.525 1.718 -9.160 1.00 0.00 C ATOM 468 C GLY A 35 -1.533 0.643 -8.767 1.00 0.00 C ATOM 469 O GLY A 35 -0.814 0.113 -9.614 1.00 0.00 O ATOM 0 H GLY A 35 -1.472 3.372 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.323 1.761 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.988 1.451 -10.110 1.00 0.00 H new ATOM 473 N ASN A 36 -1.493 0.318 -7.479 1.00 0.00 N ATOM 474 CA ASN A 36 -0.579 -0.701 -6.976 1.00 0.00 C ATOM 475 C ASN A 36 -1.119 -1.332 -5.696 1.00 0.00 C ATOM 476 O ASN A 36 -2.043 -0.807 -5.075 1.00 0.00 O ATOM 477 CB ASN A 36 0.802 -0.095 -6.716 1.00 0.00 C ATOM 478 CG ASN A 36 1.624 0.033 -7.983 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.278 -0.919 -8.410 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.596 1.213 -8.591 1.00 0.00 N ATOM 0 H ASN A 36 -2.083 0.745 -6.765 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.490 -1.479 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.684 0.889 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.339 -0.716 -5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.130 1.358 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.040 1.974 -8.202 1.00 0.00 H new ATOM 487 N SER A 37 -0.536 -2.461 -5.307 1.00 0.00 N ATOM 488 CA SER A 37 -0.960 -3.165 -4.103 1.00 0.00 C ATOM 489 C SER A 37 0.001 -2.896 -2.949 1.00 0.00 C ATOM 490 O SER A 37 1.214 -3.062 -3.083 1.00 0.00 O ATOM 491 CB SER A 37 -1.045 -4.669 -4.369 1.00 0.00 C ATOM 492 OG SER A 37 -1.832 -4.940 -5.516 1.00 0.00 O ATOM 0 H SER A 37 0.232 -2.908 -5.808 1.00 0.00 H new ATOM 0 HA SER A 37 -1.947 -2.795 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.043 -5.074 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.475 -5.171 -3.502 1.00 0.00 H new ATOM 0 HG SER A 37 -1.870 -5.908 -5.666 1.00 0.00 H new ATOM 498 N TYR A 38 -0.550 -2.478 -1.814 1.00 0.00 N ATOM 499 CA TYR A 38 0.258 -2.183 -0.636 1.00 0.00 C ATOM 500 C TYR A 38 -0.505 -2.512 0.643 1.00 0.00 C ATOM 501 O TYR A 38 -1.736 -2.503 0.667 1.00 0.00 O ATOM 502 CB TYR A 38 0.671 -0.710 -0.631 1.00 0.00 C ATOM 503 CG TYR A 38 1.567 -0.329 -1.789 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.864 -0.818 -1.880 1.00 0.00 C ATOM 505 CD2 TYR A 38 1.115 0.520 -2.791 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.685 -0.473 -2.935 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.929 0.871 -3.851 1.00 0.00 C ATOM 508 CZ TYR A 38 3.214 0.372 -3.918 1.00 0.00 C ATOM 509 OH TYR A 38 4.028 0.719 -4.972 1.00 0.00 O ATOM 0 H TYR A 38 -1.552 -2.336 -1.685 1.00 0.00 H new ATOM 0 HA TYR A 38 1.153 -2.805 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.225 -0.090 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.186 -0.489 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.237 -1.480 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.110 0.913 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.691 -0.863 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.562 1.532 -4.622 1.00 0.00 H new ATOM 0 HH TYR A 38 3.550 0.576 -5.815 1.00 0.00 H new ATOM 519 N CYS A 39 0.237 -2.804 1.707 1.00 0.00 N ATOM 520 CA CYS A 39 -0.366 -3.136 2.992 1.00 0.00 C ATOM 521 C CYS A 39 -1.105 -1.934 3.575 1.00 0.00 C ATOM 522 O CYS A 39 -0.594 -0.814 3.562 1.00 0.00 O ATOM 523 CB CYS A 39 0.704 -3.615 3.974 1.00 0.00 C ATOM 524 SG CYS A 39 1.651 -5.060 3.396 1.00 0.00 S ATOM 0 H CYS A 39 1.257 -2.817 1.704 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.085 -3.938 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.396 -2.795 4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.227 -3.862 4.922 1.00 0.00 H new ATOM 0 HG CYS A 39 2.534 -4.679 2.522 1.00 0.00 H new ATOM 529 N ASP A 40 -2.308 -2.176 4.083 1.00 0.00 N ATOM 530 CA ASP A 40 -3.117 -1.114 4.671 1.00 0.00 C ATOM 531 C ASP A 40 -2.234 -0.073 5.353 1.00 0.00 C ATOM 532 O ASP A 40 -2.541 1.118 5.340 1.00 0.00 O ATOM 533 CB ASP A 40 -4.109 -1.698 5.679 1.00 0.00 C ATOM 534 CG ASP A 40 -3.517 -1.822 7.069 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.657 -2.705 7.270 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.915 -1.037 7.956 1.00 0.00 O ATOM 0 H ASP A 40 -2.745 -3.098 4.100 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.671 -0.626 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.996 -1.065 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.434 -2.680 5.337 1.00 0.00 H new ATOM 541 N GLU A 41 -1.138 -0.533 5.948 1.00 0.00 N ATOM 542 CA GLU A 41 -0.212 0.360 6.637 1.00 0.00 C ATOM 543 C GLU A 41 0.866 0.867 5.684 1.00 0.00 C ATOM 544 O GLU A 41 1.150 2.063 5.630 1.00 0.00 O ATOM 545 CB GLU A 41 0.436 -0.359 7.823 1.00 0.00 C ATOM 546 CG GLU A 41 1.265 -1.568 7.422 1.00 0.00 C ATOM 547 CD GLU A 41 1.534 -2.502 8.586 1.00 0.00 C ATOM 548 OE1 GLU A 41 1.874 -2.005 9.679 1.00 0.00 O ATOM 549 OE2 GLU A 41 1.404 -3.731 8.402 1.00 0.00 O ATOM 0 H GLU A 41 -0.869 -1.517 5.967 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.778 1.216 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.071 0.345 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.344 -0.677 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.746 -2.115 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.214 -1.231 7.004 1.00 0.00 H new ATOM 556 N CYS A 42 1.463 -0.053 4.932 1.00 0.00 N ATOM 557 CA CYS A 42 2.511 0.298 3.981 1.00 0.00 C ATOM 558 C CYS A 42 2.166 1.591 3.247 1.00 0.00 C ATOM 559 O CYS A 42 2.925 2.560 3.286 1.00 0.00 O ATOM 560 CB CYS A 42 2.715 -0.835 2.974 1.00 0.00 C ATOM 561 SG CYS A 42 3.984 -2.047 3.466 1.00 0.00 S ATOM 0 H CYS A 42 1.238 -1.047 4.963 1.00 0.00 H new ATOM 0 HA CYS A 42 3.436 0.451 4.536 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.768 -1.355 2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.992 -0.406 2.011 1.00 0.00 H new ATOM 0 HG CYS A 42 3.446 -3.228 3.552 1.00 0.00 H new ATOM 566 N ILE A 43 1.019 1.597 2.578 1.00 0.00 N ATOM 567 CA ILE A 43 0.573 2.770 1.836 1.00 0.00 C ATOM 568 C ILE A 43 0.204 3.911 2.779 1.00 0.00 C ATOM 569 O ILE A 43 0.496 5.074 2.506 1.00 0.00 O ATOM 570 CB ILE A 43 -0.638 2.445 0.943 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.038 3.672 0.121 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.808 1.965 1.791 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.128 3.930 -1.060 1.00 0.00 C ATOM 0 H ILE A 43 0.381 0.803 2.534 1.00 0.00 H new ATOM 0 HA ILE A 43 1.406 3.079 1.205 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.360 1.646 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.059 3.542 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.038 4.549 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.657 1.739 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.518 1.067 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.088 2.745 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.471 4.814 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.890 4.092 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.147 3.069 -1.729 1.00 0.00 H new ATOM 585 N ARG A 44 -0.437 3.566 3.892 1.00 0.00 N ATOM 586 CA ARG A 44 -0.845 4.562 4.876 1.00 0.00 C ATOM 587 C ARG A 44 0.346 5.401 5.326 1.00 0.00 C ATOM 588 O ARG A 44 0.416 6.600 5.050 1.00 0.00 O ATOM 589 CB ARG A 44 -1.488 3.879 6.085 1.00 0.00 C ATOM 590 CG ARG A 44 -2.027 4.854 7.120 1.00 0.00 C ATOM 591 CD ARG A 44 -2.062 4.232 8.506 1.00 0.00 C ATOM 592 NE ARG A 44 -3.271 3.440 8.720 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.495 3.957 8.730 1.00 0.00 C ATOM 594 NH1 ARG A 44 -4.671 5.257 8.538 1.00 0.00 N ATOM 595 NH2 ARG A 44 -5.546 3.173 8.931 1.00 0.00 N ATOM 0 H ARG A 44 -0.684 2.607 4.134 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.575 5.222 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.302 3.241 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.752 3.229 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.405 5.749 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.031 5.169 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.185 3.599 8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.006 5.019 9.258 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.170 2.436 8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.866 5.863 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.612 5.651 8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.415 2.172 9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.485 3.571 8.938 1.00 0.00 H new ATOM 609 N THR A 45 1.283 4.765 6.023 1.00 0.00 N ATOM 610 CA THR A 45 2.470 5.453 6.513 1.00 0.00 C ATOM 611 C THR A 45 3.239 6.107 5.370 1.00 0.00 C ATOM 612 O THR A 45 3.681 7.249 5.479 1.00 0.00 O ATOM 613 CB THR A 45 3.409 4.489 7.262 1.00 0.00 C ATOM 614 OG1 THR A 45 2.705 3.855 8.336 1.00 0.00 O ATOM 615 CG2 THR A 45 4.621 5.229 7.810 1.00 0.00 C ATOM 0 H THR A 45 1.242 3.774 6.261 1.00 0.00 H new ATOM 0 HA THR A 45 2.126 6.223 7.203 1.00 0.00 H new ATOM 0 HB THR A 45 3.754 3.732 6.557 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.308 3.242 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.269 4.527 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.171 5.686 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.292 6.005 8.501 1.00 0.00 H new ATOM 623 N ALA A 46 3.394 5.373 4.272 1.00 0.00 N ATOM 624 CA ALA A 46 4.107 5.883 3.108 1.00 0.00 C ATOM 625 C ALA A 46 3.754 7.343 2.843 1.00 0.00 C ATOM 626 O ALA A 46 4.635 8.184 2.671 1.00 0.00 O ATOM 627 CB ALA A 46 3.796 5.032 1.884 1.00 0.00 C ATOM 0 H ALA A 46 3.035 4.424 4.165 1.00 0.00 H new ATOM 0 HA ALA A 46 5.176 5.827 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.335 5.424 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.105 4.003 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.725 5.059 1.685 1.00 0.00 H new ATOM 633 N LEU A 47 2.458 7.636 2.810 1.00 0.00 N ATOM 634 CA LEU A 47 1.988 8.994 2.566 1.00 0.00 C ATOM 635 C LEU A 47 2.354 9.915 3.725 1.00 0.00 C ATOM 636 O LEU A 47 2.804 11.043 3.519 1.00 0.00 O ATOM 637 CB LEU A 47 0.473 9.001 2.353 1.00 0.00 C ATOM 638 CG LEU A 47 -0.033 8.273 1.108 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.553 8.198 1.113 1.00 0.00 C ATOM 640 CD2 LEU A 47 0.463 8.966 -0.153 1.00 0.00 C ATOM 0 H LEU A 47 1.715 6.951 2.949 1.00 0.00 H new ATOM 0 HA LEU A 47 2.477 9.363 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.001 8.554 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.138 10.037 2.305 1.00 0.00 H new ATOM 0 HG LEU A 47 0.361 7.257 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.894 7.676 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.888 7.658 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.967 9.206 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.093 8.434 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.099 9.993 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.553 8.968 -0.163 1.00 0.00 H new ATOM 652 N LEU A 48 2.160 9.426 4.945 1.00 0.00 N ATOM 653 CA LEU A 48 2.472 10.204 6.140 1.00 0.00 C ATOM 654 C LEU A 48 3.903 10.730 6.088 1.00 0.00 C ATOM 655 O LEU A 48 4.150 11.908 6.346 1.00 0.00 O ATOM 656 CB LEU A 48 2.276 9.351 7.393 1.00 0.00 C ATOM 657 CG LEU A 48 0.904 9.446 8.062 1.00 0.00 C ATOM 658 CD1 LEU A 48 -0.076 8.483 7.409 1.00 0.00 C ATOM 659 CD2 LEU A 48 1.017 9.166 9.553 1.00 0.00 C ATOM 0 H LEU A 48 1.788 8.495 5.133 1.00 0.00 H new ATOM 0 HA LEU A 48 1.792 11.055 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.459 8.309 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.034 9.634 8.123 1.00 0.00 H new ATOM 0 HG LEU A 48 0.527 10.460 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.047 8.564 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.180 8.730 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.296 7.463 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.031 9.238 10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.416 8.163 9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.685 9.896 10.011 1.00 0.00 H new ATOM 671 N GLU A 49 4.840 9.850 5.752 1.00 0.00 N ATOM 672 CA GLU A 49 6.246 10.227 5.665 1.00 0.00 C ATOM 673 C GLU A 49 6.467 11.251 4.555 1.00 0.00 C ATOM 674 O GLU A 49 7.168 12.245 4.743 1.00 0.00 O ATOM 675 CB GLU A 49 7.114 8.992 5.415 1.00 0.00 C ATOM 676 CG GLU A 49 7.591 8.316 6.689 1.00 0.00 C ATOM 677 CD GLU A 49 8.246 9.285 7.654 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.198 9.980 7.244 1.00 0.00 O ATOM 679 OE2 GLU A 49 7.803 9.348 8.820 1.00 0.00 O ATOM 0 H GLU A 49 4.651 8.871 5.536 1.00 0.00 H new ATOM 0 HA GLU A 49 6.534 10.678 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.547 8.274 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.981 9.282 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.744 7.837 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.300 7.528 6.434 1.00 0.00 H new ATOM 686 N SER A 50 5.863 11.000 3.397 1.00 0.00 N ATOM 687 CA SER A 50 5.997 11.896 2.255 1.00 0.00 C ATOM 688 C SER A 50 5.129 13.137 2.434 1.00 0.00 C ATOM 689 O SER A 50 3.933 13.119 2.143 1.00 0.00 O ATOM 690 CB SER A 50 5.613 11.172 0.963 1.00 0.00 C ATOM 691 OG SER A 50 4.253 10.771 0.990 1.00 0.00 O ATOM 0 H SER A 50 5.276 10.183 3.226 1.00 0.00 H new ATOM 0 HA SER A 50 7.039 12.209 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.786 11.828 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.251 10.298 0.828 1.00 0.00 H new ATOM 0 HG SER A 50 3.742 11.385 1.557 1.00 0.00 H new ATOM 697 N ASP A 51 5.740 14.215 2.916 1.00 0.00 N ATOM 698 CA ASP A 51 5.024 15.467 3.133 1.00 0.00 C ATOM 699 C ASP A 51 4.121 15.789 1.946 1.00 0.00 C ATOM 700 O ASP A 51 2.981 16.218 2.121 1.00 0.00 O ATOM 701 CB ASP A 51 6.012 16.610 3.364 1.00 0.00 C ATOM 702 CG ASP A 51 5.318 17.918 3.691 1.00 0.00 C ATOM 703 OD1 ASP A 51 4.950 18.117 4.868 1.00 0.00 O ATOM 704 OD2 ASP A 51 5.142 18.743 2.770 1.00 0.00 O ATOM 0 H ASP A 51 6.729 14.246 3.164 1.00 0.00 H new ATOM 0 HA ASP A 51 4.400 15.352 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.685 16.345 4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.626 16.741 2.473 1.00 0.00 H new ATOM 709 N GLU A 52 4.640 15.581 0.740 1.00 0.00 N ATOM 710 CA GLU A 52 3.880 15.852 -0.474 1.00 0.00 C ATOM 711 C GLU A 52 3.181 14.590 -0.973 1.00 0.00 C ATOM 712 O GLU A 52 3.190 14.292 -2.167 1.00 0.00 O ATOM 713 CB GLU A 52 4.801 16.402 -1.566 1.00 0.00 C ATOM 714 CG GLU A 52 5.306 17.807 -1.284 1.00 0.00 C ATOM 715 CD GLU A 52 6.011 18.424 -2.478 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.450 18.369 -3.592 1.00 0.00 O ATOM 717 OE2 GLU A 52 7.123 18.962 -2.296 1.00 0.00 O ATOM 0 H GLU A 52 5.582 15.226 0.578 1.00 0.00 H new ATOM 0 HA GLU A 52 3.121 16.598 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.655 15.734 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.266 16.401 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.467 18.440 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.991 17.780 -0.436 1.00 0.00 H new ATOM 724 N HIS A 53 2.576 13.852 -0.047 1.00 0.00 N ATOM 725 CA HIS A 53 1.872 12.622 -0.391 1.00 0.00 C ATOM 726 C HIS A 53 2.486 11.971 -1.627 1.00 0.00 C ATOM 727 O HIS A 53 1.773 11.482 -2.503 1.00 0.00 O ATOM 728 CB HIS A 53 0.390 12.909 -0.634 1.00 0.00 C ATOM 729 CG HIS A 53 -0.408 13.052 0.625 1.00 0.00 C ATOM 730 ND1 HIS A 53 -1.607 13.729 0.684 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.172 12.599 1.879 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.074 13.687 1.919 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.222 13.007 2.664 1.00 0.00 N ATOM 0 H HIS A 53 2.559 14.084 0.946 1.00 0.00 H new ATOM 0 HA HIS A 53 1.968 11.931 0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.297 13.824 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.034 12.103 -1.233 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.683 12.024 2.202 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.996 14.133 2.261 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.327 12.816 3.660 1.00 0.00 H new ATOM 741 N THR A 54 3.814 11.971 -1.691 1.00 0.00 N ATOM 742 CA THR A 54 4.524 11.384 -2.821 1.00 0.00 C ATOM 743 C THR A 54 4.378 9.867 -2.831 1.00 0.00 C ATOM 744 O THR A 54 4.441 9.218 -1.786 1.00 0.00 O ATOM 745 CB THR A 54 6.022 11.744 -2.792 1.00 0.00 C ATOM 746 OG1 THR A 54 6.182 13.153 -2.589 1.00 0.00 O ATOM 747 CG2 THR A 54 6.702 11.332 -4.088 1.00 0.00 C ATOM 0 H THR A 54 4.419 12.371 -0.974 1.00 0.00 H new ATOM 0 HA THR A 54 4.077 11.797 -3.725 1.00 0.00 H new ATOM 0 HB THR A 54 6.488 11.203 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.136 13.374 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.759 11.596 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.602 10.255 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.233 11.849 -4.925 1.00 0.00 H new ATOM 755 N CYS A 55 4.184 9.304 -4.019 1.00 0.00 N ATOM 756 CA CYS A 55 4.029 7.862 -4.168 1.00 0.00 C ATOM 757 C CYS A 55 5.388 7.180 -4.301 1.00 0.00 C ATOM 758 O CYS A 55 6.265 7.627 -5.040 1.00 0.00 O ATOM 759 CB CYS A 55 3.165 7.543 -5.389 1.00 0.00 C ATOM 760 SG CYS A 55 2.195 6.009 -5.233 1.00 0.00 S ATOM 0 H CYS A 55 4.130 9.826 -4.894 1.00 0.00 H new ATOM 0 HA CYS A 55 3.536 7.481 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.483 8.375 -5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.808 7.466 -6.266 1.00 0.00 H new ATOM 0 HG CYS A 55 1.022 6.181 -5.767 1.00 0.00 H new ATOM 765 N PRO A 56 5.569 6.071 -3.568 1.00 0.00 N ATOM 766 CA PRO A 56 6.817 5.304 -3.588 1.00 0.00 C ATOM 767 C PRO A 56 7.032 4.580 -4.912 1.00 0.00 C ATOM 768 O PRO A 56 8.125 4.085 -5.191 1.00 0.00 O ATOM 769 CB PRO A 56 6.630 4.294 -2.451 1.00 0.00 C ATOM 770 CG PRO A 56 5.155 4.142 -2.319 1.00 0.00 C ATOM 771 CD PRO A 56 4.567 5.482 -2.664 1.00 0.00 C ATOM 0 HA PRO A 56 7.691 5.945 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.107 3.342 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.075 4.655 -1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.781 3.368 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.883 3.846 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.597 5.382 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.417 6.096 -1.776 1.00 0.00 H new ATOM 779 N THR A 57 5.983 4.523 -5.727 1.00 0.00 N ATOM 780 CA THR A 57 6.058 3.860 -7.023 1.00 0.00 C ATOM 781 C THR A 57 5.962 4.867 -8.163 1.00 0.00 C ATOM 782 O THR A 57 6.563 4.682 -9.222 1.00 0.00 O ATOM 783 CB THR A 57 4.939 2.813 -7.183 1.00 0.00 C ATOM 784 OG1 THR A 57 4.984 2.245 -8.497 1.00 0.00 O ATOM 785 CG2 THR A 57 3.574 3.439 -6.943 1.00 0.00 C ATOM 0 H THR A 57 5.072 4.928 -5.512 1.00 0.00 H new ATOM 0 HA THR A 57 7.025 3.359 -7.066 1.00 0.00 H new ATOM 0 HB THR A 57 5.097 2.029 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.271 1.580 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.800 2.681 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.533 3.845 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.410 4.241 -7.663 1.00 0.00 H new ATOM 793 N CYS A 58 5.204 5.935 -7.940 1.00 0.00 N ATOM 794 CA CYS A 58 5.029 6.974 -8.948 1.00 0.00 C ATOM 795 C CYS A 58 5.338 8.352 -8.369 1.00 0.00 C ATOM 796 O CYS A 58 5.486 8.509 -7.157 1.00 0.00 O ATOM 797 CB CYS A 58 3.601 6.948 -9.496 1.00 0.00 C ATOM 798 SG CYS A 58 2.360 7.665 -8.372 1.00 0.00 S ATOM 0 H CYS A 58 4.700 6.104 -7.069 1.00 0.00 H new ATOM 0 HA CYS A 58 5.727 6.776 -9.762 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.576 7.491 -10.441 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.325 5.916 -9.713 1.00 0.00 H new ATOM 0 HG CYS A 58 2.222 6.898 -7.332 1.00 0.00 H new ATOM 803 N HIS A 59 5.433 9.348 -9.245 1.00 0.00 N ATOM 804 CA HIS A 59 5.723 10.713 -8.821 1.00 0.00 C ATOM 805 C HIS A 59 4.436 11.472 -8.515 1.00 0.00 C ATOM 806 O HIS A 59 4.030 12.353 -9.272 1.00 0.00 O ATOM 807 CB HIS A 59 6.517 11.447 -9.902 1.00 0.00 C ATOM 808 CG HIS A 59 6.824 12.871 -9.555 1.00 0.00 C ATOM 809 ND1 HIS A 59 6.302 13.944 -10.247 1.00 0.00 N ATOM 810 CD2 HIS A 59 7.606 13.397 -8.583 1.00 0.00 C ATOM 811 CE1 HIS A 59 6.749 15.068 -9.715 1.00 0.00 C ATOM 812 NE2 HIS A 59 7.542 14.764 -8.704 1.00 0.00 N ATOM 0 H HIS A 59 5.313 9.235 -10.252 1.00 0.00 H new ATOM 0 HA HIS A 59 6.321 10.665 -7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.452 10.915 -10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.954 11.422 -10.835 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.174 12.845 -7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.507 16.066 -10.050 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.028 15.435 -8.109 1.00 0.00 H new ATOM 820 N GLN A 60 3.798 11.123 -7.402 1.00 0.00 N ATOM 821 CA GLN A 60 2.556 11.771 -6.998 1.00 0.00 C ATOM 822 C GLN A 60 2.831 12.924 -6.038 1.00 0.00 C ATOM 823 O GLN A 60 3.936 13.058 -5.515 1.00 0.00 O ATOM 824 CB GLN A 60 1.617 10.757 -6.340 1.00 0.00 C ATOM 825 CG GLN A 60 0.145 11.089 -6.515 1.00 0.00 C ATOM 826 CD GLN A 60 -0.182 11.575 -7.914 1.00 0.00 C ATOM 827 OE1 GLN A 60 -0.047 10.834 -8.888 1.00 0.00 O ATOM 828 NE2 GLN A 60 -0.613 12.826 -8.019 1.00 0.00 N ATOM 0 H GLN A 60 4.121 10.395 -6.764 1.00 0.00 H new ATOM 0 HA GLN A 60 2.078 12.172 -7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.811 9.770 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.844 10.701 -5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.452 10.204 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.139 11.855 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.710 13.404 -7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.848 13.209 -8.935 1.00 0.00 H new ATOM 837 N ASN A 61 1.817 13.753 -5.812 1.00 0.00 N ATOM 838 CA ASN A 61 1.950 14.896 -4.916 1.00 0.00 C ATOM 839 C ASN A 61 0.749 14.996 -3.980 1.00 0.00 C ATOM 840 O ASN A 61 0.897 15.287 -2.793 1.00 0.00 O ATOM 841 CB ASN A 61 2.092 16.189 -5.721 1.00 0.00 C ATOM 842 CG ASN A 61 1.416 16.103 -7.076 1.00 0.00 C ATOM 843 OD1 ASN A 61 0.275 16.535 -7.242 1.00 0.00 O ATOM 844 ND2 ASN A 61 2.119 15.542 -8.053 1.00 0.00 N ATOM 0 H ASN A 61 0.895 13.655 -6.237 1.00 0.00 H new ATOM 0 HA ASN A 61 2.847 14.751 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.662 17.015 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.150 16.414 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.716 15.456 -8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.062 15.198 -7.870 1.00 0.00 H new ATOM 851 N ASP A 62 -0.438 14.751 -4.522 1.00 0.00 N ATOM 852 CA ASP A 62 -1.665 14.810 -3.735 1.00 0.00 C ATOM 853 C ASP A 62 -2.435 13.497 -3.828 1.00 0.00 C ATOM 854 O ASP A 62 -3.081 13.214 -4.836 1.00 0.00 O ATOM 855 CB ASP A 62 -2.546 15.966 -4.212 1.00 0.00 C ATOM 856 CG ASP A 62 -3.711 16.230 -3.278 1.00 0.00 C ATOM 857 OD1 ASP A 62 -3.509 16.178 -2.046 1.00 0.00 O ATOM 858 OD2 ASP A 62 -4.825 16.488 -3.779 1.00 0.00 O ATOM 0 H ASP A 62 -0.577 14.510 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.391 14.976 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.941 16.869 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.927 15.742 -5.208 1.00 0.00 H new ATOM 863 N VAL A 63 -2.359 12.696 -2.769 1.00 0.00 N ATOM 864 CA VAL A 63 -3.049 11.413 -2.730 1.00 0.00 C ATOM 865 C VAL A 63 -4.122 11.398 -1.649 1.00 0.00 C ATOM 866 O VAL A 63 -3.899 11.862 -0.531 1.00 0.00 O ATOM 867 CB VAL A 63 -2.065 10.254 -2.477 1.00 0.00 C ATOM 868 CG1 VAL A 63 -2.818 8.951 -2.259 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.085 10.126 -3.634 1.00 0.00 C ATOM 0 H VAL A 63 -1.826 12.914 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.518 11.277 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.498 10.473 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.106 8.145 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.475 9.051 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.413 8.722 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.397 9.303 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.633 9.930 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.521 11.053 -3.737 1.00 0.00 H new ATOM 879 N SER A 64 -5.290 10.861 -1.989 1.00 0.00 N ATOM 880 CA SER A 64 -6.402 10.789 -1.049 1.00 0.00 C ATOM 881 C SER A 64 -6.554 9.375 -0.496 1.00 0.00 C ATOM 882 O SER A 64 -6.839 8.423 -1.225 1.00 0.00 O ATOM 883 CB SER A 64 -7.701 11.226 -1.727 1.00 0.00 C ATOM 884 OG SER A 64 -7.682 12.612 -2.020 1.00 0.00 O ATOM 0 H SER A 64 -5.490 10.469 -2.909 1.00 0.00 H new ATOM 0 HA SER A 64 -6.189 11.464 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.844 10.659 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.547 11.000 -1.078 1.00 0.00 H new ATOM 0 HG SER A 64 -8.523 12.866 -2.455 1.00 0.00 H new ATOM 890 N PRO A 65 -6.360 9.232 0.824 1.00 0.00 N ATOM 891 CA PRO A 65 -6.471 7.939 1.504 1.00 0.00 C ATOM 892 C PRO A 65 -7.909 7.435 1.562 1.00 0.00 C ATOM 893 O PRO A 65 -8.208 6.460 2.252 1.00 0.00 O ATOM 894 CB PRO A 65 -5.951 8.233 2.914 1.00 0.00 C ATOM 895 CG PRO A 65 -6.188 9.692 3.107 1.00 0.00 C ATOM 896 CD PRO A 65 -6.018 10.322 1.752 1.00 0.00 C ATOM 0 HA PRO A 65 -5.917 7.157 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.480 7.643 3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.893 7.988 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.188 9.876 3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.481 10.111 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.676 11.181 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.998 10.676 1.598 1.00 0.00 H new ATOM 904 N ASP A 66 -8.796 8.105 0.834 1.00 0.00 N ATOM 905 CA ASP A 66 -10.203 7.725 0.801 1.00 0.00 C ATOM 906 C ASP A 66 -10.548 7.029 -0.513 1.00 0.00 C ATOM 907 O ASP A 66 -11.349 6.096 -0.540 1.00 0.00 O ATOM 908 CB ASP A 66 -11.091 8.956 0.989 1.00 0.00 C ATOM 909 CG ASP A 66 -10.979 9.543 2.383 1.00 0.00 C ATOM 910 OD1 ASP A 66 -9.866 9.521 2.949 1.00 0.00 O ATOM 911 OD2 ASP A 66 -12.005 10.024 2.907 1.00 0.00 O ATOM 0 H ASP A 66 -8.565 8.915 0.258 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.384 7.028 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.816 9.714 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.129 8.685 0.794 1.00 0.00 H new ATOM 916 N ALA A 67 -9.937 7.492 -1.598 1.00 0.00 N ATOM 917 CA ALA A 67 -10.178 6.914 -2.915 1.00 0.00 C ATOM 918 C ALA A 67 -9.408 5.610 -3.092 1.00 0.00 C ATOM 919 O ALA A 67 -8.804 5.370 -4.138 1.00 0.00 O ATOM 920 CB ALA A 67 -9.797 7.906 -4.004 1.00 0.00 C ATOM 0 H ALA A 67 -9.272 8.265 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.242 6.691 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.982 7.462 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.395 8.811 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.740 8.157 -3.914 1.00 0.00 H new ATOM 926 N LEU A 68 -9.432 4.770 -2.063 1.00 0.00 N ATOM 927 CA LEU A 68 -8.734 3.489 -2.104 1.00 0.00 C ATOM 928 C LEU A 68 -9.723 2.329 -2.060 1.00 0.00 C ATOM 929 O LEU A 68 -10.889 2.508 -1.708 1.00 0.00 O ATOM 930 CB LEU A 68 -7.753 3.382 -0.935 1.00 0.00 C ATOM 931 CG LEU A 68 -6.555 4.332 -0.976 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.824 4.327 0.358 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.609 3.947 -2.105 1.00 0.00 C ATOM 0 H LEU A 68 -9.927 4.953 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.180 3.435 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.301 3.560 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.379 2.359 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.922 5.341 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.975 5.009 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.504 4.649 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.469 3.319 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.762 4.633 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.249 2.930 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.137 4.002 -3.057 1.00 0.00 H new ATOM 945 N SER A 69 -9.250 1.140 -2.419 1.00 0.00 N ATOM 946 CA SER A 69 -10.093 -0.050 -2.422 1.00 0.00 C ATOM 947 C SER A 69 -9.918 -0.843 -1.130 1.00 0.00 C ATOM 948 O SER A 69 -9.098 -1.756 -1.056 1.00 0.00 O ATOM 949 CB SER A 69 -9.760 -0.933 -3.626 1.00 0.00 C ATOM 950 OG SER A 69 -10.329 -2.223 -3.485 1.00 0.00 O ATOM 0 H SER A 69 -8.287 0.975 -2.712 1.00 0.00 H new ATOM 0 HA SER A 69 -11.132 0.271 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.132 -0.466 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.678 -1.019 -3.730 1.00 0.00 H new ATOM 0 HG SER A 69 -10.103 -2.768 -4.268 1.00 0.00 H new