USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=19 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 60 GLN : amide:sc= -6.27! C(o=-6.4!,f=-10!) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.107 K(o=-6.4,f=-10) USER MOD Set 2.1: A 38 TYR OH : rot -144:sc= 0.31 USER MOD Set 2.2: A 57 THR OG1 : rot 87:sc= 0.29 USER MOD Set 3.1: A 18 CYS SG : rot 161:sc= 2.07 USER MOD Set 3.2: A 21 CYS SG : rot -33:sc= -1.07 USER MOD Set 3.3: A 39 CYS SG : rot 67:sc= 0.0448 USER MOD Set 3.4: A 42 CYS SG : rot 120:sc= 0.673 USER MOD Set 4.1: A 33 CYS SG : rot 66:sc= -11.1! USER MOD Set 4.2: A 34 CYS SG : rot 108:sc= 0.824 USER MOD Set 4.3: A 36 ASN :FLIP amide:sc= -0.117 F(o=-10,f=-9.1) USER MOD Set 4.4: A 55 CYS SG : rot 148:sc= 1.21 USER MOD Set 4.5: A 58 CYS SG : rot -42:sc= 0.0499 USER MOD Set 5.1: A 25 MET CE :methyl -141:sc= 0 (180deg=-0.356) USER MOD Set 5.2: A 37 SER OG : rot 25:sc= 0.487! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 64:sc= 1.3 USER MOD Single : A 53 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0212 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 1.156 -12.065 -4.164 1.00 0.00 N ATOM 180 CA LEU A 16 0.339 -11.704 -3.011 1.00 0.00 C ATOM 181 C LEU A 16 1.147 -10.887 -2.007 1.00 0.00 C ATOM 182 O LEU A 16 0.911 -10.958 -0.799 1.00 0.00 O ATOM 183 CB LEU A 16 -0.211 -12.961 -2.336 1.00 0.00 C ATOM 184 CG LEU A 16 -1.319 -13.697 -3.090 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.463 -15.120 -2.573 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.637 -12.947 -2.968 1.00 0.00 C ATOM 0 HA LEU A 16 -0.493 -11.095 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.615 -13.654 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.590 -12.685 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.046 -13.742 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.256 -15.628 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.524 -15.655 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.712 -15.098 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.414 -13.486 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.916 -12.870 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.527 -11.947 -3.389 1.00 0.00 H new ATOM 198 N LEU A 17 2.098 -10.111 -2.513 1.00 0.00 N ATOM 199 CA LEU A 17 2.940 -9.278 -1.661 1.00 0.00 C ATOM 200 C LEU A 17 2.985 -7.843 -2.176 1.00 0.00 C ATOM 201 O LEU A 17 2.806 -7.594 -3.369 1.00 0.00 O ATOM 202 CB LEU A 17 4.357 -9.852 -1.592 1.00 0.00 C ATOM 203 CG LEU A 17 4.493 -11.228 -0.942 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.938 -11.699 -0.984 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.983 -11.194 0.491 1.00 0.00 C ATOM 0 H LEU A 17 2.306 -10.041 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 17 2.508 -9.272 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.753 -9.911 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.985 -9.150 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 17 3.886 -11.936 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.014 -12.681 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.270 -11.764 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.567 -10.991 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.088 -12.183 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.563 -10.472 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.933 -10.903 0.497 1.00 0.00 H new ATOM 217 N CYS A 18 3.227 -6.902 -1.269 1.00 0.00 N ATOM 218 CA CYS A 18 3.298 -5.491 -1.631 1.00 0.00 C ATOM 219 C CYS A 18 4.667 -5.146 -2.209 1.00 0.00 C ATOM 220 O CYS A 18 5.633 -5.889 -2.033 1.00 0.00 O ATOM 221 CB CYS A 18 3.012 -4.616 -0.410 1.00 0.00 C ATOM 222 SG CYS A 18 4.337 -4.626 0.840 1.00 0.00 S ATOM 0 H CYS A 18 3.377 -7.091 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 18 2.543 -5.298 -2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.848 -3.591 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.086 -4.952 0.056 1.00 0.00 H new ATOM 0 HG CYS A 18 4.211 -3.589 1.614 1.00 0.00 H new ATOM 227 N LEU A 19 4.743 -4.013 -2.900 1.00 0.00 N ATOM 228 CA LEU A 19 5.993 -3.567 -3.504 1.00 0.00 C ATOM 229 C LEU A 19 6.724 -2.592 -2.588 1.00 0.00 C ATOM 230 O LEU A 19 7.497 -1.752 -3.049 1.00 0.00 O ATOM 231 CB LEU A 19 5.721 -2.908 -4.857 1.00 0.00 C ATOM 232 CG LEU A 19 4.724 -3.628 -5.767 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.262 -2.707 -6.885 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.341 -4.895 -6.338 1.00 0.00 C ATOM 0 H LEU A 19 3.953 -3.387 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 19 6.628 -4.441 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.355 -1.897 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.667 -2.815 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 19 3.855 -3.908 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.553 -3.236 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.779 -1.828 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.122 -2.396 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.617 -5.394 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.227 -4.639 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.621 -5.562 -5.523 1.00 0.00 H new ATOM 246 N ILE A 20 6.475 -2.709 -1.288 1.00 0.00 N ATOM 247 CA ILE A 20 7.112 -1.840 -0.306 1.00 0.00 C ATOM 248 C ILE A 20 7.932 -2.647 0.693 1.00 0.00 C ATOM 249 O ILE A 20 9.161 -2.673 0.628 1.00 0.00 O ATOM 250 CB ILE A 20 6.072 -0.999 0.459 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.424 0.025 -0.475 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.724 -0.304 1.645 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.180 0.665 0.100 1.00 0.00 C ATOM 0 H ILE A 20 5.836 -3.398 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 20 7.773 -1.172 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 20 5.293 -1.663 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.150 0.804 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.170 -0.463 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.977 0.287 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.143 -1.051 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.520 0.351 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.774 1.380 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.436 -0.105 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.432 1.182 1.026 1.00 0.00 H new ATOM 265 N CYS A 21 7.243 -3.307 1.619 1.00 0.00 N ATOM 266 CA CYS A 21 7.907 -4.118 2.633 1.00 0.00 C ATOM 267 C CYS A 21 7.888 -5.594 2.247 1.00 0.00 C ATOM 268 O CYS A 21 8.468 -6.435 2.934 1.00 0.00 O ATOM 269 CB CYS A 21 7.231 -3.926 3.992 1.00 0.00 C ATOM 270 SG CYS A 21 5.632 -4.784 4.155 1.00 0.00 S ATOM 0 H CYS A 21 6.225 -3.296 1.688 1.00 0.00 H new ATOM 0 HA CYS A 21 8.945 -3.792 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.903 -4.281 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.078 -2.860 4.163 1.00 0.00 H new ATOM 0 HG CYS A 21 5.031 -4.804 3.002 1.00 0.00 H new ATOM 275 N LYS A 22 7.215 -5.903 1.143 1.00 0.00 N ATOM 276 CA LYS A 22 7.120 -7.277 0.664 1.00 0.00 C ATOM 277 C LYS A 22 6.502 -8.182 1.725 1.00 0.00 C ATOM 278 O LYS A 22 6.993 -9.283 1.978 1.00 0.00 O ATOM 279 CB LYS A 22 8.505 -7.800 0.275 1.00 0.00 C ATOM 280 CG LYS A 22 9.093 -7.117 -0.946 1.00 0.00 C ATOM 281 CD LYS A 22 9.710 -5.774 -0.592 1.00 0.00 C ATOM 282 CE LYS A 22 10.258 -5.069 -1.824 1.00 0.00 C ATOM 283 NZ LYS A 22 11.529 -5.686 -2.296 1.00 0.00 N ATOM 0 H LYS A 22 6.727 -5.220 0.563 1.00 0.00 H new ATOM 0 HA LYS A 22 6.475 -7.285 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.184 -7.667 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.439 -8.871 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.851 -7.760 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.314 -6.974 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.961 -5.143 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.512 -5.920 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.518 -5.106 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.428 -4.017 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.870 -5.178 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.244 -5.628 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.362 -6.683 -2.539 1.00 0.00 H new ATOM 297 N ASP A 23 5.423 -7.713 2.340 1.00 0.00 N ATOM 298 CA ASP A 23 4.736 -8.481 3.371 1.00 0.00 C ATOM 299 C ASP A 23 3.248 -8.601 3.060 1.00 0.00 C ATOM 300 O ASP A 23 2.643 -7.681 2.508 1.00 0.00 O ATOM 301 CB ASP A 23 4.932 -7.827 4.741 1.00 0.00 C ATOM 302 CG ASP A 23 4.746 -8.806 5.882 1.00 0.00 C ATOM 303 OD1 ASP A 23 3.903 -9.718 5.751 1.00 0.00 O ATOM 304 OD2 ASP A 23 5.445 -8.662 6.907 1.00 0.00 O ATOM 0 H ASP A 23 5.005 -6.804 2.142 1.00 0.00 H new ATOM 0 HA ASP A 23 5.167 -9.482 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.932 -7.397 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.225 -7.005 4.852 1.00 0.00 H new ATOM 309 N ILE A 24 2.664 -9.740 3.414 1.00 0.00 N ATOM 310 CA ILE A 24 1.247 -9.980 3.172 1.00 0.00 C ATOM 311 C ILE A 24 0.420 -8.735 3.472 1.00 0.00 C ATOM 312 O ILE A 24 0.591 -8.100 4.512 1.00 0.00 O ATOM 313 CB ILE A 24 0.720 -11.150 4.024 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.480 -12.436 3.691 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.773 -11.338 3.801 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.348 -13.508 4.749 1.00 0.00 C ATOM 0 H ILE A 24 3.151 -10.512 3.870 1.00 0.00 H new ATOM 0 HA ILE A 24 1.146 -10.235 2.117 1.00 0.00 H new ATOM 0 HB ILE A 24 0.884 -10.916 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.116 -12.828 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.535 -12.200 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.130 -12.168 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.301 -10.427 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.959 -11.553 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.912 -14.390 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.739 -13.135 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.298 -13.773 4.869 1.00 0.00 H new ATOM 328 N MET A 25 -0.478 -8.394 2.553 1.00 0.00 N ATOM 329 CA MET A 25 -1.335 -7.225 2.721 1.00 0.00 C ATOM 330 C MET A 25 -2.681 -7.619 3.319 1.00 0.00 C ATOM 331 O MET A 25 -3.580 -8.073 2.610 1.00 0.00 O ATOM 332 CB MET A 25 -1.547 -6.524 1.378 1.00 0.00 C ATOM 333 CG MET A 25 -0.253 -6.211 0.644 1.00 0.00 C ATOM 334 SD MET A 25 0.452 -7.658 -0.170 1.00 0.00 S ATOM 335 CE MET A 25 -0.469 -7.663 -1.706 1.00 0.00 C ATOM 0 H MET A 25 -0.631 -8.909 1.686 1.00 0.00 H new ATOM 0 HA MET A 25 -0.839 -6.538 3.407 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.172 -7.153 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.094 -5.596 1.544 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.440 -5.436 -0.099 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.472 -5.807 1.350 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.712 -8.689 -1.981 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.390 -7.094 -1.580 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.133 -7.209 -2.493 1.00 0.00 H new ATOM 345 N THR A 26 -2.815 -7.445 4.631 1.00 0.00 N ATOM 346 CA THR A 26 -4.050 -7.784 5.325 1.00 0.00 C ATOM 347 C THR A 26 -5.263 -7.206 4.605 1.00 0.00 C ATOM 348 O THR A 26 -6.333 -7.814 4.584 1.00 0.00 O ATOM 349 CB THR A 26 -4.038 -7.269 6.777 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.274 -7.596 7.423 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.821 -5.765 6.817 1.00 0.00 C ATOM 0 H THR A 26 -2.082 -7.071 5.234 1.00 0.00 H new ATOM 0 HA THR A 26 -4.119 -8.872 5.332 1.00 0.00 H new ATOM 0 HB THR A 26 -3.215 -7.752 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.258 -7.267 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.817 -5.425 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.866 -5.523 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.625 -5.267 6.275 1.00 0.00 H new ATOM 359 N ASP A 27 -5.088 -6.030 4.013 1.00 0.00 N ATOM 360 CA ASP A 27 -6.168 -5.370 3.288 1.00 0.00 C ATOM 361 C ASP A 27 -5.676 -4.837 1.946 1.00 0.00 C ATOM 362 O ASP A 27 -5.375 -3.651 1.811 1.00 0.00 O ATOM 363 CB ASP A 27 -6.748 -4.228 4.123 1.00 0.00 C ATOM 364 CG ASP A 27 -8.207 -3.962 3.807 1.00 0.00 C ATOM 365 OD1 ASP A 27 -9.070 -4.708 4.315 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.485 -3.007 3.051 1.00 0.00 O ATOM 0 H ASP A 27 -4.208 -5.514 4.021 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.950 -6.106 3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.647 -4.468 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.170 -3.321 3.945 1.00 0.00 H new ATOM 371 N ALA A 28 -5.596 -5.721 0.957 1.00 0.00 N ATOM 372 CA ALA A 28 -5.141 -5.339 -0.374 1.00 0.00 C ATOM 373 C ALA A 28 -5.891 -4.110 -0.879 1.00 0.00 C ATOM 374 O ALA A 28 -7.102 -4.156 -1.093 1.00 0.00 O ATOM 375 CB ALA A 28 -5.312 -6.499 -1.343 1.00 0.00 C ATOM 0 H ALA A 28 -5.840 -6.707 1.052 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.083 -5.086 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.968 -6.200 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.726 -7.351 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.364 -6.779 -1.394 1.00 0.00 H new ATOM 381 N VAL A 29 -5.163 -3.015 -1.066 1.00 0.00 N ATOM 382 CA VAL A 29 -5.759 -1.773 -1.546 1.00 0.00 C ATOM 383 C VAL A 29 -5.146 -1.347 -2.875 1.00 0.00 C ATOM 384 O VAL A 29 -3.926 -1.362 -3.042 1.00 0.00 O ATOM 385 CB VAL A 29 -5.585 -0.635 -0.524 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.379 -0.926 0.740 1.00 0.00 C ATOM 387 CG2 VAL A 29 -4.113 -0.428 -0.202 1.00 0.00 C ATOM 0 H VAL A 29 -4.159 -2.962 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.823 -1.966 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.970 0.285 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.244 -0.111 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.436 -1.019 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.027 -1.857 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.009 0.380 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.700 -1.346 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.574 -0.170 -1.114 1.00 0.00 H new ATOM 397 N VAL A 30 -6.000 -0.966 -3.819 1.00 0.00 N ATOM 398 CA VAL A 30 -5.542 -0.534 -5.135 1.00 0.00 C ATOM 399 C VAL A 30 -5.685 0.975 -5.297 1.00 0.00 C ATOM 400 O VAL A 30 -6.797 1.506 -5.306 1.00 0.00 O ATOM 401 CB VAL A 30 -6.324 -1.236 -6.261 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.887 -0.715 -7.620 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.140 -2.744 -6.174 1.00 0.00 C ATOM 0 H VAL A 30 -7.013 -0.947 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.490 -0.808 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.384 -1.013 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.451 -1.223 -8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.074 0.357 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.823 -0.905 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.699 -3.226 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.082 -2.988 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.507 -3.100 -5.212 1.00 0.00 H new ATOM 413 N ILE A 31 -4.554 1.662 -5.425 1.00 0.00 N ATOM 414 CA ILE A 31 -4.555 3.110 -5.589 1.00 0.00 C ATOM 415 C ILE A 31 -5.038 3.506 -6.980 1.00 0.00 C ATOM 416 O ILE A 31 -4.617 2.948 -7.993 1.00 0.00 O ATOM 417 CB ILE A 31 -3.152 3.702 -5.358 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.258 5.163 -4.915 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.313 3.585 -6.621 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.949 5.744 -4.426 1.00 0.00 C ATOM 0 H ILE A 31 -3.626 1.239 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.239 3.512 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.661 3.137 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.622 5.762 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.000 5.240 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.324 4.008 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.214 2.535 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.798 4.128 -7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.100 6.782 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.593 5.170 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.210 5.699 -5.226 1.00 0.00 H new ATOM 432 N PRO A 32 -5.943 4.495 -7.032 1.00 0.00 N ATOM 433 CA PRO A 32 -6.502 4.990 -8.294 1.00 0.00 C ATOM 434 C PRO A 32 -5.475 5.753 -9.123 1.00 0.00 C ATOM 435 O PRO A 32 -5.402 5.592 -10.342 1.00 0.00 O ATOM 436 CB PRO A 32 -7.626 5.925 -7.841 1.00 0.00 C ATOM 437 CG PRO A 32 -7.224 6.366 -6.476 1.00 0.00 C ATOM 438 CD PRO A 32 -6.490 5.205 -5.865 1.00 0.00 C ATOM 0 HA PRO A 32 -6.839 4.177 -8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.731 6.774 -8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.587 5.410 -7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.587 7.249 -6.523 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.096 6.634 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.701 5.538 -5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.157 4.569 -5.284 1.00 0.00 H new ATOM 446 N CYS A 33 -4.682 6.584 -8.455 1.00 0.00 N ATOM 447 CA CYS A 33 -3.659 7.373 -9.130 1.00 0.00 C ATOM 448 C CYS A 33 -3.022 6.579 -10.268 1.00 0.00 C ATOM 449 O CYS A 33 -2.965 7.044 -11.407 1.00 0.00 O ATOM 450 CB CYS A 33 -2.583 7.809 -8.134 1.00 0.00 C ATOM 451 SG CYS A 33 -1.716 6.427 -7.323 1.00 0.00 S ATOM 0 H CYS A 33 -4.728 6.728 -7.446 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.136 8.258 -9.551 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.851 8.428 -8.654 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.043 8.434 -7.369 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.028 5.767 -8.207 1.00 0.00 H new ATOM 456 N CYS A 34 -2.546 5.381 -9.951 1.00 0.00 N ATOM 457 CA CYS A 34 -1.914 4.522 -10.945 1.00 0.00 C ATOM 458 C CYS A 34 -2.418 3.086 -10.824 1.00 0.00 C ATOM 459 O CYS A 34 -2.843 2.481 -11.806 1.00 0.00 O ATOM 460 CB CYS A 34 -0.392 4.555 -10.785 1.00 0.00 C ATOM 461 SG CYS A 34 0.193 4.069 -9.130 1.00 0.00 S ATOM 0 H CYS A 34 -2.586 4.982 -9.013 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.177 4.899 -11.933 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.055 3.892 -11.526 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.036 5.562 -11.003 1.00 0.00 H new ATOM 0 HG CYS A 34 0.750 2.896 -9.194 1.00 0.00 H new ATOM 466 N GLY A 35 -2.366 2.548 -9.609 1.00 0.00 N ATOM 467 CA GLY A 35 -2.819 1.189 -9.380 1.00 0.00 C ATOM 468 C GLY A 35 -1.706 0.278 -8.902 1.00 0.00 C ATOM 469 O GLY A 35 -0.857 -0.141 -9.688 1.00 0.00 O ATOM 0 H GLY A 35 -2.018 3.029 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.620 1.196 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.240 0.790 -10.303 1.00 0.00 H new ATOM 473 N ASN A 36 -1.708 -0.027 -7.609 1.00 0.00 N ATOM 474 CA ASN A 36 -0.688 -0.892 -7.026 1.00 0.00 C ATOM 475 C ASN A 36 -1.189 -1.531 -5.735 1.00 0.00 C ATOM 476 O ASN A 36 -2.134 -1.042 -5.115 1.00 0.00 O ATOM 477 CB ASN A 36 0.589 -0.097 -6.752 1.00 0.00 C ATOM 478 CG ASN A 36 1.474 0.017 -7.978 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.662 1.240 -8.461 1.00 0.00 O flip ATOM 480 ND2 ASN A 36 1.984 -0.983 -8.484 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.404 0.312 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.468 -1.685 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.324 0.902 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.147 -0.577 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.812 -1.903 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.578 -0.891 -9.308 1.00 0.00 H new ATOM 487 N SER A 37 -0.550 -2.626 -5.335 1.00 0.00 N ATOM 488 CA SER A 37 -0.934 -3.335 -4.119 1.00 0.00 C ATOM 489 C SER A 37 -0.009 -2.967 -2.963 1.00 0.00 C ATOM 490 O SER A 37 1.212 -3.090 -3.067 1.00 0.00 O ATOM 491 CB SER A 37 -0.903 -4.846 -4.352 1.00 0.00 C ATOM 492 OG SER A 37 0.430 -5.322 -4.434 1.00 0.00 O ATOM 0 H SER A 37 0.236 -3.042 -5.835 1.00 0.00 H new ATOM 0 HA SER A 37 -1.950 -3.037 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.424 -5.353 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.436 -5.086 -5.272 1.00 0.00 H new ATOM 0 HG SER A 37 1.026 -4.711 -3.952 1.00 0.00 H new ATOM 498 N TYR A 38 -0.600 -2.518 -1.861 1.00 0.00 N ATOM 499 CA TYR A 38 0.170 -2.130 -0.685 1.00 0.00 C ATOM 500 C TYR A 38 -0.592 -2.457 0.596 1.00 0.00 C ATOM 501 O TYR A 38 -1.822 -2.453 0.619 1.00 0.00 O ATOM 502 CB TYR A 38 0.495 -0.636 -0.732 1.00 0.00 C ATOM 503 CG TYR A 38 1.319 -0.233 -1.934 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.597 -0.743 -2.128 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.819 0.657 -2.876 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.353 -0.376 -3.223 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.568 1.028 -3.976 1.00 0.00 C ATOM 508 CZ TYR A 38 2.835 0.509 -4.145 1.00 0.00 C ATOM 509 OH TYR A 38 3.585 0.875 -5.239 1.00 0.00 O ATOM 0 H TYR A 38 -1.609 -2.414 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 38 1.101 -2.697 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.437 -0.070 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.033 -0.361 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.006 -1.438 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.172 1.066 -2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.346 -0.780 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.164 1.720 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 38 3.407 1.814 -5.458 1.00 0.00 H new ATOM 519 N CYS A 39 0.151 -2.739 1.662 1.00 0.00 N ATOM 520 CA CYS A 39 -0.451 -3.067 2.949 1.00 0.00 C ATOM 521 C CYS A 39 -1.253 -1.888 3.491 1.00 0.00 C ATOM 522 O CYS A 39 -0.785 -0.749 3.480 1.00 0.00 O ATOM 523 CB CYS A 39 0.630 -3.469 3.954 1.00 0.00 C ATOM 524 SG CYS A 39 1.797 -4.721 3.329 1.00 0.00 S ATOM 0 H CYS A 39 1.171 -2.747 1.659 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.130 -3.907 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.189 -2.580 4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.150 -3.853 4.854 1.00 0.00 H new ATOM 0 HG CYS A 39 2.511 -4.209 2.371 1.00 0.00 H new ATOM 529 N ASP A 40 -2.462 -2.170 3.965 1.00 0.00 N ATOM 530 CA ASP A 40 -3.328 -1.132 4.513 1.00 0.00 C ATOM 531 C ASP A 40 -2.513 -0.076 5.251 1.00 0.00 C ATOM 532 O ASP A 40 -2.876 1.099 5.272 1.00 0.00 O ATOM 533 CB ASP A 40 -4.362 -1.748 5.458 1.00 0.00 C ATOM 534 CG ASP A 40 -3.818 -1.948 6.859 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.894 -2.771 7.026 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.317 -1.281 7.790 1.00 0.00 O ATOM 0 H ASP A 40 -2.864 -3.107 3.981 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.845 -0.650 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.240 -1.104 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.690 -2.708 5.058 1.00 0.00 H new ATOM 541 N GLU A 41 -1.408 -0.503 5.855 1.00 0.00 N ATOM 542 CA GLU A 41 -0.541 0.406 6.596 1.00 0.00 C ATOM 543 C GLU A 41 0.553 0.969 5.694 1.00 0.00 C ATOM 544 O GLU A 41 0.829 2.170 5.710 1.00 0.00 O ATOM 545 CB GLU A 41 0.087 -0.313 7.792 1.00 0.00 C ATOM 546 CG GLU A 41 0.932 -1.515 7.404 1.00 0.00 C ATOM 547 CD GLU A 41 1.642 -2.136 8.591 1.00 0.00 C ATOM 548 OE1 GLU A 41 1.019 -2.236 9.668 1.00 0.00 O ATOM 549 OE2 GLU A 41 2.821 -2.522 8.443 1.00 0.00 O ATOM 0 H GLU A 41 -1.092 -1.473 5.846 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.150 1.234 6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.707 0.393 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.705 -0.639 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.296 -2.265 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.670 -1.211 6.662 1.00 0.00 H new ATOM 556 N CYS A 42 1.174 0.094 4.911 1.00 0.00 N ATOM 557 CA CYS A 42 2.239 0.503 4.003 1.00 0.00 C ATOM 558 C CYS A 42 1.861 1.781 3.260 1.00 0.00 C ATOM 559 O CYS A 42 2.465 2.834 3.470 1.00 0.00 O ATOM 560 CB CYS A 42 2.539 -0.613 2.999 1.00 0.00 C ATOM 561 SG CYS A 42 3.825 -1.780 3.548 1.00 0.00 S ATOM 0 H CYS A 42 0.958 -0.903 4.887 1.00 0.00 H new ATOM 0 HA CYS A 42 3.132 0.699 4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.621 -1.167 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.849 -0.164 2.055 1.00 0.00 H new ATOM 0 HG CYS A 42 3.326 -2.979 3.606 1.00 0.00 H new ATOM 566 N ILE A 43 0.860 1.681 2.392 1.00 0.00 N ATOM 567 CA ILE A 43 0.401 2.829 1.620 1.00 0.00 C ATOM 568 C ILE A 43 0.160 4.035 2.521 1.00 0.00 C ATOM 569 O ILE A 43 0.443 5.172 2.141 1.00 0.00 O ATOM 570 CB ILE A 43 -0.895 2.508 0.851 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.361 3.733 0.062 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.980 2.046 1.812 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.512 4.025 -1.156 1.00 0.00 C ATOM 0 H ILE A 43 0.351 0.817 2.206 1.00 0.00 H new ATOM 0 HA ILE A 43 1.189 3.065 0.905 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.693 1.701 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.394 3.582 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.352 4.603 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.889 1.823 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.646 1.150 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.183 2.834 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.900 4.906 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.517 4.208 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.541 3.171 -1.833 1.00 0.00 H new ATOM 585 N ARG A 44 -0.364 3.780 3.715 1.00 0.00 N ATOM 586 CA ARG A 44 -0.643 4.846 4.670 1.00 0.00 C ATOM 587 C ARG A 44 0.650 5.507 5.140 1.00 0.00 C ATOM 588 O ARG A 44 0.935 6.654 4.793 1.00 0.00 O ATOM 589 CB ARG A 44 -1.413 4.295 5.871 1.00 0.00 C ATOM 590 CG ARG A 44 -1.660 5.326 6.961 1.00 0.00 C ATOM 591 CD ARG A 44 -2.895 6.164 6.665 1.00 0.00 C ATOM 592 NE ARG A 44 -3.097 7.212 7.661 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.226 7.899 7.786 1.00 0.00 C ATOM 594 NH1 ARG A 44 -5.251 7.650 6.981 1.00 0.00 N ATOM 595 NH2 ARG A 44 -4.334 8.838 8.717 1.00 0.00 N ATOM 0 H ARG A 44 -0.604 2.845 4.044 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.254 5.597 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.371 3.903 5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.859 3.457 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.782 4.822 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.790 5.977 7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.798 6.616 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.773 5.518 6.635 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.328 7.428 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.173 6.929 6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.117 8.180 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.549 9.033 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.202 9.365 8.812 1.00 0.00 H new ATOM 609 N THR A 45 1.428 4.777 5.932 1.00 0.00 N ATOM 610 CA THR A 45 2.688 5.292 6.451 1.00 0.00 C ATOM 611 C THR A 45 3.460 6.046 5.374 1.00 0.00 C ATOM 612 O THR A 45 4.101 7.059 5.651 1.00 0.00 O ATOM 613 CB THR A 45 3.574 4.158 7.002 1.00 0.00 C ATOM 614 OG1 THR A 45 4.505 4.682 7.955 1.00 0.00 O ATOM 615 CG2 THR A 45 4.329 3.466 5.877 1.00 0.00 C ATOM 0 H THR A 45 1.207 3.826 6.228 1.00 0.00 H new ATOM 0 HA THR A 45 2.439 5.976 7.262 1.00 0.00 H new ATOM 0 HB THR A 45 2.928 3.427 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.063 3.955 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.948 2.669 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.618 3.042 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.963 4.190 5.366 1.00 0.00 H new ATOM 623 N ALA A 46 3.391 5.546 4.145 1.00 0.00 N ATOM 624 CA ALA A 46 4.082 6.175 3.024 1.00 0.00 C ATOM 625 C ALA A 46 3.639 7.623 2.851 1.00 0.00 C ATOM 626 O ALA A 46 4.457 8.506 2.586 1.00 0.00 O ATOM 627 CB ALA A 46 3.837 5.388 1.745 1.00 0.00 C ATOM 0 H ALA A 46 2.864 4.708 3.899 1.00 0.00 H new ATOM 0 HA ALA A 46 5.151 6.173 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.358 5.868 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.209 4.371 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.768 5.360 1.534 1.00 0.00 H new ATOM 633 N LEU A 47 2.341 7.862 3.000 1.00 0.00 N ATOM 634 CA LEU A 47 1.789 9.205 2.859 1.00 0.00 C ATOM 635 C LEU A 47 2.215 10.094 4.022 1.00 0.00 C ATOM 636 O LEU A 47 2.408 11.300 3.858 1.00 0.00 O ATOM 637 CB LEU A 47 0.262 9.146 2.780 1.00 0.00 C ATOM 638 CG LEU A 47 -0.320 8.336 1.621 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.827 8.197 1.770 1.00 0.00 C ATOM 640 CD2 LEU A 47 0.029 8.985 0.290 1.00 0.00 C ATOM 0 H LEU A 47 1.651 7.143 3.218 1.00 0.00 H new ATOM 0 HA LEU A 47 2.178 9.635 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.114 8.728 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.118 10.165 2.711 1.00 0.00 H new ATOM 0 HG LEU A 47 0.119 7.339 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.223 7.618 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.055 7.688 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.285 9.186 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.393 8.396 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.382 9.994 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.113 9.031 0.181 1.00 0.00 H new ATOM 652 N LEU A 48 2.363 9.492 5.197 1.00 0.00 N ATOM 653 CA LEU A 48 2.770 10.228 6.388 1.00 0.00 C ATOM 654 C LEU A 48 4.198 10.746 6.248 1.00 0.00 C ATOM 655 O LEU A 48 4.431 11.954 6.238 1.00 0.00 O ATOM 656 CB LEU A 48 2.658 9.336 7.626 1.00 0.00 C ATOM 657 CG LEU A 48 1.241 9.067 8.133 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.523 10.373 8.432 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.459 8.246 7.119 1.00 0.00 C ATOM 0 H LEU A 48 2.207 8.496 5.350 1.00 0.00 H new ATOM 0 HA LEU A 48 2.103 11.083 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.131 8.379 7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.230 9.795 8.433 1.00 0.00 H new ATOM 0 HG LEU A 48 1.310 8.495 9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.484 10.161 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.072 10.924 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.465 10.972 7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.547 8.064 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.400 8.791 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.963 7.293 6.956 1.00 0.00 H new ATOM 671 N GLU A 49 5.148 9.824 6.136 1.00 0.00 N ATOM 672 CA GLU A 49 6.553 10.187 5.995 1.00 0.00 C ATOM 673 C GLU A 49 6.734 11.242 4.906 1.00 0.00 C ATOM 674 O GLU A 49 7.368 12.274 5.126 1.00 0.00 O ATOM 675 CB GLU A 49 7.393 8.951 5.668 1.00 0.00 C ATOM 676 CG GLU A 49 6.897 8.182 4.456 1.00 0.00 C ATOM 677 CD GLU A 49 7.515 8.672 3.161 1.00 0.00 C ATOM 678 OE1 GLU A 49 8.617 9.257 3.215 1.00 0.00 O ATOM 679 OE2 GLU A 49 6.898 8.471 2.095 1.00 0.00 O ATOM 0 H GLU A 49 4.970 8.820 6.140 1.00 0.00 H new ATOM 0 HA GLU A 49 6.891 10.605 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.425 9.258 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.398 8.287 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.123 7.124 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.812 8.271 4.393 1.00 0.00 H new ATOM 686 N SER A 50 6.175 10.972 3.731 1.00 0.00 N ATOM 687 CA SER A 50 6.278 11.893 2.606 1.00 0.00 C ATOM 688 C SER A 50 5.764 13.278 2.989 1.00 0.00 C ATOM 689 O SER A 50 4.588 13.449 3.309 1.00 0.00 O ATOM 690 CB SER A 50 5.492 11.359 1.407 1.00 0.00 C ATOM 691 OG SER A 50 6.305 10.536 0.589 1.00 0.00 O ATOM 0 H SER A 50 5.646 10.123 3.533 1.00 0.00 H new ATOM 0 HA SER A 50 7.330 11.977 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.630 10.791 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.107 12.193 0.820 1.00 0.00 H new ATOM 0 HG SER A 50 6.583 9.744 1.095 1.00 0.00 H new ATOM 697 N ASP A 51 6.655 14.263 2.954 1.00 0.00 N ATOM 698 CA ASP A 51 6.293 15.634 3.295 1.00 0.00 C ATOM 699 C ASP A 51 4.863 15.942 2.863 1.00 0.00 C ATOM 700 O ASP A 51 4.108 16.581 3.595 1.00 0.00 O ATOM 701 CB ASP A 51 7.262 16.619 2.638 1.00 0.00 C ATOM 702 CG ASP A 51 8.675 16.481 3.169 1.00 0.00 C ATOM 703 OD1 ASP A 51 8.883 16.731 4.374 1.00 0.00 O ATOM 704 OD2 ASP A 51 9.574 16.127 2.377 1.00 0.00 O ATOM 0 H ASP A 51 7.633 14.138 2.693 1.00 0.00 H new ATOM 0 HA ASP A 51 6.357 15.742 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.265 16.458 1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.911 17.637 2.807 1.00 0.00 H new ATOM 709 N GLU A 52 4.499 15.485 1.669 1.00 0.00 N ATOM 710 CA GLU A 52 3.160 15.714 1.140 1.00 0.00 C ATOM 711 C GLU A 52 2.561 14.422 0.595 1.00 0.00 C ATOM 712 O GLU A 52 3.283 13.470 0.289 1.00 0.00 O ATOM 713 CB GLU A 52 3.198 16.776 0.037 1.00 0.00 C ATOM 714 CG GLU A 52 3.642 18.144 0.526 1.00 0.00 C ATOM 715 CD GLU A 52 3.835 19.133 -0.608 1.00 0.00 C ATOM 716 OE1 GLU A 52 2.826 19.684 -1.094 1.00 0.00 O ATOM 717 OE2 GLU A 52 4.998 19.357 -1.008 1.00 0.00 O ATOM 0 H GLU A 52 5.112 14.954 1.050 1.00 0.00 H new ATOM 0 HA GLU A 52 2.531 16.069 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.873 16.445 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.206 16.862 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.901 18.535 1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.576 18.043 1.078 1.00 0.00 H new ATOM 724 N HIS A 53 1.238 14.392 0.477 1.00 0.00 N ATOM 725 CA HIS A 53 0.541 13.215 -0.031 1.00 0.00 C ATOM 726 C HIS A 53 0.946 12.925 -1.473 1.00 0.00 C ATOM 727 O HIS A 53 0.255 13.316 -2.414 1.00 0.00 O ATOM 728 CB HIS A 53 -0.972 13.417 0.056 1.00 0.00 C ATOM 729 CG HIS A 53 -1.492 13.455 1.460 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.690 14.045 1.803 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.969 12.971 2.611 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.881 13.924 3.104 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.851 13.275 3.619 1.00 0.00 N ATOM 0 H HIS A 53 0.626 15.169 0.726 1.00 0.00 H new ATOM 0 HA HIS A 53 0.822 12.361 0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.235 14.348 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.469 12.612 -0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.032 12.444 2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.734 14.293 3.654 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.731 13.039 4.604 1.00 0.00 H new ATOM 741 N THR A 54 2.070 12.235 -1.640 1.00 0.00 N ATOM 742 CA THR A 54 2.568 11.894 -2.966 1.00 0.00 C ATOM 743 C THR A 54 2.750 10.389 -3.114 1.00 0.00 C ATOM 744 O THR A 54 3.276 9.725 -2.219 1.00 0.00 O ATOM 745 CB THR A 54 3.908 12.593 -3.260 1.00 0.00 C ATOM 746 OG1 THR A 54 3.803 13.994 -2.980 1.00 0.00 O ATOM 747 CG2 THR A 54 4.318 12.391 -4.712 1.00 0.00 C ATOM 0 H THR A 54 2.653 11.901 -0.872 1.00 0.00 H new ATOM 0 HA THR A 54 1.822 12.239 -3.682 1.00 0.00 H new ATOM 0 HB THR A 54 4.670 12.151 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.660 14.430 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.267 12.894 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.427 11.326 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.554 12.809 -5.367 1.00 0.00 H new ATOM 755 N CYS A 55 2.314 9.852 -4.249 1.00 0.00 N ATOM 756 CA CYS A 55 2.429 8.424 -4.516 1.00 0.00 C ATOM 757 C CYS A 55 3.885 8.028 -4.741 1.00 0.00 C ATOM 758 O CYS A 55 4.606 8.639 -5.531 1.00 0.00 O ATOM 759 CB CYS A 55 1.591 8.043 -5.737 1.00 0.00 C ATOM 760 SG CYS A 55 1.681 6.277 -6.179 1.00 0.00 S ATOM 0 H CYS A 55 1.877 10.386 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 55 2.055 7.886 -3.645 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.551 8.306 -5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.920 8.637 -6.590 1.00 0.00 H new ATOM 0 HG CYS A 55 0.549 5.901 -6.696 1.00 0.00 H new ATOM 765 N PRO A 56 4.330 6.981 -4.032 1.00 0.00 N ATOM 766 CA PRO A 56 5.704 6.479 -4.137 1.00 0.00 C ATOM 767 C PRO A 56 5.975 5.810 -5.480 1.00 0.00 C ATOM 768 O PRO A 56 7.048 5.248 -5.701 1.00 0.00 O ATOM 769 CB PRO A 56 5.796 5.456 -3.002 1.00 0.00 C ATOM 770 CG PRO A 56 4.392 5.011 -2.778 1.00 0.00 C ATOM 771 CD PRO A 56 3.527 6.204 -3.072 1.00 0.00 C ATOM 0 HA PRO A 56 6.438 7.282 -4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.438 4.618 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.219 5.901 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.139 4.175 -3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.250 4.669 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.567 5.909 -3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.314 6.777 -2.170 1.00 0.00 H new ATOM 779 N THR A 57 4.993 5.871 -6.375 1.00 0.00 N ATOM 780 CA THR A 57 5.125 5.271 -7.697 1.00 0.00 C ATOM 781 C THR A 57 5.019 6.324 -8.793 1.00 0.00 C ATOM 782 O THR A 57 5.949 6.516 -9.577 1.00 0.00 O ATOM 783 CB THR A 57 4.053 4.190 -7.932 1.00 0.00 C ATOM 784 OG1 THR A 57 3.969 3.327 -6.793 1.00 0.00 O ATOM 785 CG2 THR A 57 4.374 3.372 -9.174 1.00 0.00 C ATOM 0 H THR A 57 4.098 6.330 -6.208 1.00 0.00 H new ATOM 0 HA THR A 57 6.111 4.809 -7.737 1.00 0.00 H new ATOM 0 HB THR A 57 3.094 4.686 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.347 3.708 -6.139 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.604 2.615 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.407 4.028 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.342 2.886 -9.049 1.00 0.00 H new ATOM 793 N CYS A 58 3.880 7.007 -8.842 1.00 0.00 N ATOM 794 CA CYS A 58 3.651 8.043 -9.843 1.00 0.00 C ATOM 795 C CYS A 58 3.585 9.421 -9.193 1.00 0.00 C ATOM 796 O CYS A 58 3.341 9.543 -7.992 1.00 0.00 O ATOM 797 CB CYS A 58 2.356 7.764 -10.608 1.00 0.00 C ATOM 798 SG CYS A 58 0.849 7.907 -9.595 1.00 0.00 S ATOM 0 H CYS A 58 3.101 6.862 -8.200 1.00 0.00 H new ATOM 0 HA CYS A 58 4.487 8.030 -10.542 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.285 8.458 -11.446 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.404 6.760 -11.029 1.00 0.00 H new ATOM 0 HG CYS A 58 1.052 7.356 -8.435 1.00 0.00 H new ATOM 803 N HIS A 59 3.802 10.459 -9.995 1.00 0.00 N ATOM 804 CA HIS A 59 3.765 11.830 -9.498 1.00 0.00 C ATOM 805 C HIS A 59 2.328 12.288 -9.274 1.00 0.00 C ATOM 806 O HIS A 59 1.709 12.874 -10.162 1.00 0.00 O ATOM 807 CB HIS A 59 4.466 12.769 -10.481 1.00 0.00 C ATOM 808 CG HIS A 59 4.841 14.090 -9.883 1.00 0.00 C ATOM 809 ND1 HIS A 59 3.996 15.179 -9.875 1.00 0.00 N ATOM 810 CD2 HIS A 59 5.977 14.493 -9.269 1.00 0.00 C ATOM 811 CE1 HIS A 59 4.596 16.197 -9.284 1.00 0.00 C ATOM 812 NE2 HIS A 59 5.800 15.806 -8.906 1.00 0.00 N ATOM 0 H HIS A 59 4.005 10.377 -10.991 1.00 0.00 H new ATOM 0 HA HIS A 59 4.289 11.859 -8.543 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.365 12.282 -10.858 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.813 12.939 -11.337 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.859 13.894 -9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.174 17.180 -9.135 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.487 16.385 -8.423 1.00 0.00 H new ATOM 820 N GLN A 60 1.805 12.018 -8.083 1.00 0.00 N ATOM 821 CA GLN A 60 0.439 12.402 -7.745 1.00 0.00 C ATOM 822 C GLN A 60 0.430 13.563 -6.756 1.00 0.00 C ATOM 823 O GLN A 60 1.228 13.600 -5.820 1.00 0.00 O ATOM 824 CB GLN A 60 -0.317 11.209 -7.156 1.00 0.00 C ATOM 825 CG GLN A 60 -1.805 11.218 -7.468 1.00 0.00 C ATOM 826 CD GLN A 60 -2.412 12.605 -7.376 1.00 0.00 C ATOM 827 OE1 GLN A 60 -2.872 13.024 -6.313 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.417 13.324 -8.491 1.00 0.00 N ATOM 0 H GLN A 60 2.305 11.535 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.059 12.723 -8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.121 10.287 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.181 11.201 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.965 10.821 -8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.322 10.553 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.025 12.937 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.813 14.264 -8.490 1.00 0.00 H new ATOM 837 N ASN A 61 -0.478 14.509 -6.970 1.00 0.00 N ATOM 838 CA ASN A 61 -0.591 15.672 -6.098 1.00 0.00 C ATOM 839 C ASN A 61 -1.001 15.258 -4.688 1.00 0.00 C ATOM 840 O ASN A 61 -0.237 15.420 -3.736 1.00 0.00 O ATOM 841 CB ASN A 61 -1.608 16.665 -6.665 1.00 0.00 C ATOM 842 CG ASN A 61 -1.719 16.579 -8.176 1.00 0.00 C ATOM 843 OD1 ASN A 61 -2.792 16.313 -8.717 1.00 0.00 O ATOM 844 ND2 ASN A 61 -0.605 16.805 -8.864 1.00 0.00 N ATOM 0 H ASN A 61 -1.147 14.493 -7.740 1.00 0.00 H new ATOM 0 HA ASN A 61 0.386 16.152 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.585 16.475 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.320 17.677 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.617 16.761 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.262 17.022 -8.373 1.00 0.00 H new ATOM 851 N ASP A 62 -2.210 14.721 -4.563 1.00 0.00 N ATOM 852 CA ASP A 62 -2.721 14.282 -3.270 1.00 0.00 C ATOM 853 C ASP A 62 -3.690 13.116 -3.437 1.00 0.00 C ATOM 854 O ASP A 62 -4.717 13.239 -4.104 1.00 0.00 O ATOM 855 CB ASP A 62 -3.417 15.440 -2.552 1.00 0.00 C ATOM 856 CG ASP A 62 -2.540 16.673 -2.459 1.00 0.00 C ATOM 857 OD1 ASP A 62 -1.432 16.572 -1.892 1.00 0.00 O ATOM 858 OD2 ASP A 62 -2.962 17.741 -2.951 1.00 0.00 O ATOM 0 H ASP A 62 -2.854 14.579 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.876 13.947 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.337 15.691 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.702 15.123 -1.549 1.00 0.00 H new ATOM 863 N VAL A 63 -3.355 11.982 -2.827 1.00 0.00 N ATOM 864 CA VAL A 63 -4.194 10.793 -2.908 1.00 0.00 C ATOM 865 C VAL A 63 -4.965 10.576 -1.611 1.00 0.00 C ATOM 866 O VAL A 63 -4.372 10.428 -0.542 1.00 0.00 O ATOM 867 CB VAL A 63 -3.359 9.536 -3.214 1.00 0.00 C ATOM 868 CG1 VAL A 63 -4.243 8.298 -3.231 1.00 0.00 C ATOM 869 CG2 VAL A 63 -2.623 9.694 -4.536 1.00 0.00 C ATOM 0 H VAL A 63 -2.508 11.863 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.899 10.958 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.618 9.413 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.635 7.420 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.719 8.177 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.009 8.408 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.038 8.796 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.345 9.843 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.958 10.556 -4.481 1.00 0.00 H new ATOM 879 N SER A 64 -6.290 10.555 -1.713 1.00 0.00 N ATOM 880 CA SER A 64 -7.143 10.357 -0.547 1.00 0.00 C ATOM 881 C SER A 64 -7.228 8.879 -0.179 1.00 0.00 C ATOM 882 O SER A 64 -7.457 8.015 -1.025 1.00 0.00 O ATOM 883 CB SER A 64 -8.544 10.910 -0.815 1.00 0.00 C ATOM 884 OG SER A 64 -8.595 12.308 -0.587 1.00 0.00 O ATOM 0 H SER A 64 -6.796 10.673 -2.591 1.00 0.00 H new ATOM 0 HA SER A 64 -6.701 10.896 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.832 10.696 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.266 10.407 -0.171 1.00 0.00 H new ATOM 0 HG SER A 64 -9.501 12.636 -0.767 1.00 0.00 H new ATOM 890 N PRO A 65 -7.038 8.580 1.115 1.00 0.00 N ATOM 891 CA PRO A 65 -7.089 7.207 1.626 1.00 0.00 C ATOM 892 C PRO A 65 -8.500 6.630 1.598 1.00 0.00 C ATOM 893 O PRO A 65 -8.726 5.498 2.027 1.00 0.00 O ATOM 894 CB PRO A 65 -6.597 7.347 3.069 1.00 0.00 C ATOM 895 CG PRO A 65 -6.910 8.756 3.440 1.00 0.00 C ATOM 896 CD PRO A 65 -6.761 9.560 2.179 1.00 0.00 C ATOM 0 HA PRO A 65 -6.491 6.525 1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.102 6.642 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.528 7.146 3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.921 8.839 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.232 9.115 4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.462 10.394 2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.760 9.981 2.087 1.00 0.00 H new ATOM 904 N ASP A 66 -9.444 7.413 1.089 1.00 0.00 N ATOM 905 CA ASP A 66 -10.834 6.979 1.004 1.00 0.00 C ATOM 906 C ASP A 66 -11.086 6.215 -0.293 1.00 0.00 C ATOM 907 O ASP A 66 -11.711 5.155 -0.289 1.00 0.00 O ATOM 908 CB ASP A 66 -11.773 8.182 1.092 1.00 0.00 C ATOM 909 CG ASP A 66 -13.205 7.827 0.742 1.00 0.00 C ATOM 910 OD1 ASP A 66 -13.622 6.687 1.038 1.00 0.00 O ATOM 911 OD2 ASP A 66 -13.909 8.687 0.174 1.00 0.00 O ATOM 0 H ASP A 66 -9.273 8.352 0.729 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.032 6.312 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.740 8.592 2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.421 8.964 0.419 1.00 0.00 H new ATOM 916 N ALA A 67 -10.595 6.762 -1.400 1.00 0.00 N ATOM 917 CA ALA A 67 -10.765 6.132 -2.704 1.00 0.00 C ATOM 918 C ALA A 67 -10.241 4.700 -2.695 1.00 0.00 C ATOM 919 O ALA A 67 -10.883 3.789 -3.219 1.00 0.00 O ATOM 920 CB ALA A 67 -10.064 6.947 -3.780 1.00 0.00 C ATOM 0 H ALA A 67 -10.076 7.640 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.831 6.099 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.199 6.465 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.489 7.950 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.000 7.011 -3.552 1.00 0.00 H new ATOM 926 N LEU A 68 -9.070 4.508 -2.098 1.00 0.00 N ATOM 927 CA LEU A 68 -8.458 3.186 -2.021 1.00 0.00 C ATOM 928 C LEU A 68 -9.516 2.108 -1.804 1.00 0.00 C ATOM 929 O LEU A 68 -10.436 2.280 -1.004 1.00 0.00 O ATOM 930 CB LEU A 68 -7.430 3.144 -0.889 1.00 0.00 C ATOM 931 CG LEU A 68 -6.361 4.237 -0.912 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.560 4.227 0.381 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.442 4.059 -2.112 1.00 0.00 C ATOM 0 H LEU A 68 -8.525 5.251 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.955 2.989 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.962 3.204 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.931 2.175 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.858 5.203 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.804 5.011 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.228 4.403 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.073 3.259 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.687 4.846 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.953 3.087 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.027 4.117 -3.030 1.00 0.00 H new ATOM 945 N SER A 69 -9.376 0.997 -2.519 1.00 0.00 N ATOM 946 CA SER A 69 -10.320 -0.109 -2.405 1.00 0.00 C ATOM 947 C SER A 69 -10.394 -0.614 -0.968 1.00 0.00 C ATOM 948 O SER A 69 -9.389 -0.658 -0.262 1.00 0.00 O ATOM 949 CB SER A 69 -9.916 -1.250 -3.340 1.00 0.00 C ATOM 950 OG SER A 69 -8.600 -1.697 -3.059 1.00 0.00 O ATOM 0 H SER A 69 -8.618 0.838 -3.183 1.00 0.00 H new ATOM 0 HA SER A 69 -11.306 0.255 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.616 -2.079 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.977 -0.915 -4.375 1.00 0.00 H new ATOM 0 HG SER A 69 -8.366 -2.428 -3.669 1.00 0.00 H new