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 160:sc= 1.85 USER MOD Set 1.2: A 21 CYS SG : rot -28:sc= -0.546 USER MOD Set 1.3: A 39 CYS SG : rot 62:sc= 0.976 USER MOD Set 1.4: A 42 CYS SG : rot 120:sc= 0.774 USER MOD Set 2.1: A 33 CYS SG : rot 147:sc= -11! USER MOD Set 2.2: A 34 CYS SG : rot -51:sc= 1.52 USER MOD Set 2.3: A 36 ASN : amide:sc= -3.14! K(o=-12!,f=-11) USER MOD Set 2.4: A 38 TYR OH : rot -158:sc= 1.04 USER MOD Set 2.5: A 55 CYS SG : rot 90:sc= -0.507 USER MOD Set 2.6: A 57 THR OG1 : rot -88:sc= 0.904 USER MOD Set 2.7: A 58 CYS SG : rot -91:sc= -1.05 USER MOD Set 3.1: A 25 MET CE :methyl -118:sc= -0.851 (180deg=-4.43!) USER MOD Set 3.2: A 37 SER OG : rot 20:sc= 0.476! 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 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.039) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-1.1!) USER MOD Single : A 60 GLN : amide:sc= -6.89! C(o=-6.9!,f=-16!) USER MOD Single : A 61 ASN : amide:sc= -0.495 X(o=-0.49,f=-0.077) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 65:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 1.685 -11.194 -5.546 1.00 0.00 N ATOM 180 CA LEU A 16 0.815 -11.136 -4.377 1.00 0.00 C ATOM 181 C LEU A 16 1.528 -10.475 -3.201 1.00 0.00 C ATOM 182 O LEU A 16 1.298 -10.829 -2.043 1.00 0.00 O ATOM 183 CB LEU A 16 0.359 -12.543 -3.985 1.00 0.00 C ATOM 184 CG LEU A 16 -0.732 -13.162 -4.861 1.00 0.00 C ATOM 185 CD1 LEU A 16 -0.818 -14.661 -4.624 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.074 -12.498 -4.590 1.00 0.00 C ATOM 0 HA LEU A 16 -0.058 -10.536 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.227 -13.202 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.001 -12.514 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.472 -12.995 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.599 -15.085 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.138 -15.124 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.055 -14.851 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.838 -12.951 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.342 -12.634 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.004 -11.433 -4.812 1.00 0.00 H new ATOM 198 N LEU A 17 2.391 -9.512 -3.504 1.00 0.00 N ATOM 199 CA LEU A 17 3.136 -8.799 -2.472 1.00 0.00 C ATOM 200 C LEU A 17 3.192 -7.305 -2.776 1.00 0.00 C ATOM 201 O LEU A 17 3.011 -6.885 -3.919 1.00 0.00 O ATOM 202 CB LEU A 17 4.553 -9.362 -2.357 1.00 0.00 C ATOM 203 CG LEU A 17 4.660 -10.849 -2.016 1.00 0.00 C ATOM 204 CD1 LEU A 17 6.098 -11.323 -2.143 1.00 0.00 C ATOM 205 CD2 LEU A 17 4.130 -11.114 -0.616 1.00 0.00 C ATOM 0 H LEU A 17 2.592 -9.207 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 17 2.619 -8.939 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.069 -9.189 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.086 -8.796 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 17 4.051 -11.410 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.155 -12.383 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.443 -11.169 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.729 -10.757 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.214 -12.177 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.712 -10.542 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.084 -10.813 -0.560 1.00 0.00 H new ATOM 217 N CYS A 18 3.446 -6.506 -1.744 1.00 0.00 N ATOM 218 CA CYS A 18 3.528 -5.059 -1.899 1.00 0.00 C ATOM 219 C CYS A 18 4.911 -4.643 -2.391 1.00 0.00 C ATOM 220 O CYS A 18 5.886 -5.380 -2.234 1.00 0.00 O ATOM 221 CB CYS A 18 3.216 -4.365 -0.572 1.00 0.00 C ATOM 222 SG CYS A 18 4.518 -4.553 0.689 1.00 0.00 S ATOM 0 H CYS A 18 3.599 -6.837 -0.791 1.00 0.00 H new ATOM 0 HA CYS A 18 2.791 -4.755 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.056 -3.303 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.282 -4.764 -0.177 1.00 0.00 H new ATOM 0 HG CYS A 18 4.384 -3.628 1.593 1.00 0.00 H new ATOM 227 N LEU A 19 4.989 -3.458 -2.986 1.00 0.00 N ATOM 228 CA LEU A 19 6.253 -2.942 -3.501 1.00 0.00 C ATOM 229 C LEU A 19 6.906 -1.997 -2.497 1.00 0.00 C ATOM 230 O LEU A 19 7.485 -0.979 -2.875 1.00 0.00 O ATOM 231 CB LEU A 19 6.027 -2.217 -4.829 1.00 0.00 C ATOM 232 CG LEU A 19 5.199 -2.969 -5.871 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.697 -2.013 -6.944 1.00 0.00 C ATOM 234 CD2 LEU A 19 6.017 -4.090 -6.495 1.00 0.00 C ATOM 0 H LEU A 19 4.192 -2.836 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 19 6.922 -3.787 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.537 -1.266 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.999 -1.986 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 19 4.336 -3.410 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.110 -2.565 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.075 -1.245 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.547 -1.543 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.411 -4.614 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.899 -3.671 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.328 -4.789 -5.719 1.00 0.00 H new ATOM 246 N ILE A 20 6.808 -2.343 -1.218 1.00 0.00 N ATOM 247 CA ILE A 20 7.391 -1.527 -0.160 1.00 0.00 C ATOM 248 C ILE A 20 8.177 -2.385 0.826 1.00 0.00 C ATOM 249 O ILE A 20 9.406 -2.322 0.879 1.00 0.00 O ATOM 250 CB ILE A 20 6.311 -0.743 0.607 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.702 0.337 -0.288 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.899 -0.125 1.867 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.393 0.888 0.234 1.00 0.00 C ATOM 0 H ILE A 20 6.331 -3.182 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 20 8.066 -0.821 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 20 5.521 -1.434 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.415 1.155 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.542 -0.076 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.123 0.426 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.290 -0.913 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.706 0.556 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.020 1.649 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.664 0.081 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.551 1.331 1.217 1.00 0.00 H new ATOM 265 N CYS A 21 7.461 -3.189 1.604 1.00 0.00 N ATOM 266 CA CYS A 21 8.089 -4.062 2.588 1.00 0.00 C ATOM 267 C CYS A 21 8.071 -5.514 2.117 1.00 0.00 C ATOM 268 O CYS A 21 8.629 -6.397 2.769 1.00 0.00 O ATOM 269 CB CYS A 21 7.376 -3.942 3.936 1.00 0.00 C ATOM 270 SG CYS A 21 5.770 -4.799 4.007 1.00 0.00 S ATOM 0 H CYS A 21 6.444 -3.254 1.572 1.00 0.00 H new ATOM 0 HA CYS A 21 9.127 -3.749 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.024 -4.343 4.715 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.223 -2.887 4.161 1.00 0.00 H new ATOM 0 HG CYS A 21 5.250 -4.845 2.817 1.00 0.00 H new ATOM 275 N LYS A 22 7.425 -5.753 0.981 1.00 0.00 N ATOM 276 CA LYS A 22 7.334 -7.096 0.421 1.00 0.00 C ATOM 277 C LYS A 22 6.713 -8.063 1.424 1.00 0.00 C ATOM 278 O LYS A 22 7.257 -9.137 1.684 1.00 0.00 O ATOM 279 CB LYS A 22 8.721 -7.595 0.009 1.00 0.00 C ATOM 280 CG LYS A 22 9.461 -6.639 -0.913 1.00 0.00 C ATOM 281 CD LYS A 22 8.795 -6.552 -2.276 1.00 0.00 C ATOM 282 CE LYS A 22 9.806 -6.249 -3.371 1.00 0.00 C ATOM 283 NZ LYS A 22 9.182 -6.270 -4.722 1.00 0.00 N ATOM 0 H LYS A 22 6.957 -5.034 0.430 1.00 0.00 H new ATOM 0 HA LYS A 22 6.694 -7.052 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.320 -7.760 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.618 -8.560 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.495 -5.648 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.492 -6.971 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.289 -7.492 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.031 -5.775 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.253 -5.271 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.613 -6.980 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.903 -6.059 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.778 -7.211 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.428 -5.555 -4.767 1.00 0.00 H new ATOM 297 N ASP A 23 5.571 -7.677 1.982 1.00 0.00 N ATOM 298 CA ASP A 23 4.875 -8.511 2.955 1.00 0.00 C ATOM 299 C ASP A 23 3.402 -8.660 2.587 1.00 0.00 C ATOM 300 O ASP A 23 2.770 -7.712 2.120 1.00 0.00 O ATOM 301 CB ASP A 23 5.005 -7.914 4.357 1.00 0.00 C ATOM 302 CG ASP A 23 4.678 -8.917 5.446 1.00 0.00 C ATOM 303 OD1 ASP A 23 5.444 -9.889 5.606 1.00 0.00 O ATOM 304 OD2 ASP A 23 3.655 -8.730 6.137 1.00 0.00 O ATOM 0 H ASP A 23 5.107 -6.792 1.777 1.00 0.00 H new ATOM 0 HA ASP A 23 5.336 -9.499 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.021 -7.546 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.340 -7.055 4.446 1.00 0.00 H new ATOM 309 N ILE A 24 2.862 -9.855 2.800 1.00 0.00 N ATOM 310 CA ILE A 24 1.464 -10.127 2.490 1.00 0.00 C ATOM 311 C ILE A 24 0.575 -8.950 2.877 1.00 0.00 C ATOM 312 O ILE A 24 0.645 -8.450 3.999 1.00 0.00 O ATOM 313 CB ILE A 24 0.963 -11.392 3.213 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.774 -12.613 2.774 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.518 -11.608 2.939 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.683 -13.777 3.734 1.00 0.00 C ATOM 0 H ILE A 24 3.371 -10.650 3.186 1.00 0.00 H new ATOM 0 HA ILE A 24 1.405 -10.285 1.413 1.00 0.00 H new ATOM 0 HB ILE A 24 1.098 -11.256 4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.428 -12.935 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.819 -12.324 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.857 -12.505 3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.083 -10.748 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.676 -11.726 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.282 -14.606 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.057 -13.473 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.644 -14.093 3.825 1.00 0.00 H new ATOM 328 N MET A 25 -0.258 -8.512 1.939 1.00 0.00 N ATOM 329 CA MET A 25 -1.163 -7.395 2.184 1.00 0.00 C ATOM 330 C MET A 25 -2.500 -7.886 2.729 1.00 0.00 C ATOM 331 O MET A 25 -3.441 -8.128 1.973 1.00 0.00 O ATOM 332 CB MET A 25 -1.387 -6.601 0.895 1.00 0.00 C ATOM 333 CG MET A 25 -0.097 -6.190 0.203 1.00 0.00 C ATOM 334 SD MET A 25 0.521 -7.457 -0.923 1.00 0.00 S ATOM 335 CE MET A 25 -0.650 -7.312 -2.270 1.00 0.00 C ATOM 0 H MET A 25 -0.325 -8.913 1.003 1.00 0.00 H new ATOM 0 HA MET A 25 -0.704 -6.746 2.929 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.984 -7.201 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.967 -5.707 1.124 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.265 -5.267 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.662 -5.976 0.955 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.194 -8.250 -2.382 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.354 -6.508 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.116 -7.090 -3.194 1.00 0.00 H new ATOM 345 N THR A 26 -2.577 -8.034 4.048 1.00 0.00 N ATOM 346 CA THR A 26 -3.798 -8.498 4.695 1.00 0.00 C ATOM 347 C THR A 26 -5.031 -7.856 4.069 1.00 0.00 C ATOM 348 O THR A 26 -6.073 -8.496 3.930 1.00 0.00 O ATOM 349 CB THR A 26 -3.785 -8.193 6.206 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.012 -8.626 6.802 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.590 -6.705 6.455 1.00 0.00 C ATOM 0 H THR A 26 -1.808 -7.839 4.689 1.00 0.00 H new ATOM 0 HA THR A 26 -3.841 -9.577 4.550 1.00 0.00 H new ATOM 0 HB THR A 26 -2.952 -8.732 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.996 -8.431 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.584 -6.513 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.641 -6.385 6.024 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.405 -6.149 5.992 1.00 0.00 H new ATOM 359 N ASP A 27 -4.904 -6.589 3.692 1.00 0.00 N ATOM 360 CA ASP A 27 -6.008 -5.859 3.080 1.00 0.00 C ATOM 361 C ASP A 27 -5.548 -5.136 1.818 1.00 0.00 C ATOM 362 O ASP A 27 -5.331 -3.925 1.829 1.00 0.00 O ATOM 363 CB ASP A 27 -6.598 -4.855 4.071 1.00 0.00 C ATOM 364 CG ASP A 27 -7.983 -4.389 3.668 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.077 -3.428 2.876 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.972 -4.983 4.145 1.00 0.00 O ATOM 0 H ASP A 27 -4.047 -6.046 3.799 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.778 -6.580 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.645 -5.310 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.936 -3.993 4.148 1.00 0.00 H new ATOM 371 N ALA A 28 -5.399 -5.888 0.732 1.00 0.00 N ATOM 372 CA ALA A 28 -4.965 -5.319 -0.538 1.00 0.00 C ATOM 373 C ALA A 28 -5.711 -4.024 -0.843 1.00 0.00 C ATOM 374 O ALA A 28 -6.942 -3.985 -0.817 1.00 0.00 O ATOM 375 CB ALA A 28 -5.165 -6.324 -1.663 1.00 0.00 C ATOM 0 H ALA A 28 -5.573 -6.893 0.707 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.903 -5.086 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.837 -5.885 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.581 -7.221 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.221 -6.586 -1.733 1.00 0.00 H new ATOM 381 N VAL A 29 -4.960 -2.967 -1.132 1.00 0.00 N ATOM 382 CA VAL A 29 -5.551 -1.671 -1.442 1.00 0.00 C ATOM 383 C VAL A 29 -4.977 -1.101 -2.734 1.00 0.00 C ATOM 384 O VAL A 29 -3.766 -0.924 -2.864 1.00 0.00 O ATOM 385 CB VAL A 29 -5.320 -0.661 -0.302 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.130 -1.049 0.926 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.840 -0.567 0.034 1.00 0.00 C ATOM 0 H VAL A 29 -3.940 -2.983 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.622 -1.833 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.657 0.321 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.955 -0.325 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.190 -1.061 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.826 -2.040 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.695 0.151 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.475 -1.545 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.287 -0.239 -0.846 1.00 0.00 H new ATOM 397 N VAL A 30 -5.856 -0.815 -3.690 1.00 0.00 N ATOM 398 CA VAL A 30 -5.437 -0.262 -4.973 1.00 0.00 C ATOM 399 C VAL A 30 -5.647 1.247 -5.017 1.00 0.00 C ATOM 400 O VAL A 30 -6.778 1.729 -4.939 1.00 0.00 O ATOM 401 CB VAL A 30 -6.205 -0.910 -6.140 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.804 -0.274 -7.463 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.964 -2.413 -6.168 1.00 0.00 C ATOM 0 H VAL A 30 -6.862 -0.957 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.375 -0.481 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.271 -0.738 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.357 -0.745 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.032 0.792 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.735 -0.412 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.514 -2.854 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.899 -2.608 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.306 -2.854 -5.232 1.00 0.00 H new ATOM 413 N ILE A 31 -4.551 1.988 -5.141 1.00 0.00 N ATOM 414 CA ILE A 31 -4.616 3.443 -5.197 1.00 0.00 C ATOM 415 C ILE A 31 -5.087 3.920 -6.566 1.00 0.00 C ATOM 416 O ILE A 31 -4.665 3.415 -7.606 1.00 0.00 O ATOM 417 CB ILE A 31 -3.248 4.079 -4.886 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.433 5.482 -4.304 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.391 4.132 -6.142 1.00 0.00 C ATOM 420 CD1 ILE A 31 -2.163 6.073 -3.735 1.00 0.00 C ATOM 0 H ILE A 31 -3.608 1.605 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.334 3.757 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.738 3.463 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.814 6.142 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.189 5.444 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.428 4.584 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.235 3.121 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.896 4.729 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.370 7.068 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.792 5.435 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.411 6.143 -4.521 1.00 0.00 H new ATOM 432 N PRO A 32 -5.983 4.919 -6.569 1.00 0.00 N ATOM 433 CA PRO A 32 -6.530 5.489 -7.804 1.00 0.00 C ATOM 434 C PRO A 32 -5.490 6.288 -8.583 1.00 0.00 C ATOM 435 O PRO A 32 -5.313 6.089 -9.785 1.00 0.00 O ATOM 436 CB PRO A 32 -7.647 6.408 -7.305 1.00 0.00 C ATOM 437 CG PRO A 32 -7.250 6.769 -5.915 1.00 0.00 C ATOM 438 CD PRO A 32 -6.530 5.569 -5.366 1.00 0.00 C ATOM 0 HA PRO A 32 -6.871 4.717 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.740 7.294 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.613 5.902 -7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.605 7.648 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.124 7.011 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.741 5.857 -4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.206 4.908 -4.824 1.00 0.00 H new ATOM 446 N CYS A 33 -4.804 7.191 -7.891 1.00 0.00 N ATOM 447 CA CYS A 33 -3.783 8.020 -8.518 1.00 0.00 C ATOM 448 C CYS A 33 -3.109 7.278 -9.668 1.00 0.00 C ATOM 449 O CYS A 33 -3.031 7.784 -10.788 1.00 0.00 O ATOM 450 CB CYS A 33 -2.734 8.442 -7.486 1.00 0.00 C ATOM 451 SG CYS A 33 -1.975 7.052 -6.586 1.00 0.00 S ATOM 0 H CYS A 33 -4.937 7.367 -6.895 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.269 8.910 -8.918 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.949 9.006 -7.991 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.198 9.116 -6.767 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.736 7.336 -6.314 1.00 0.00 H new ATOM 456 N CYS A 34 -2.623 6.074 -9.384 1.00 0.00 N ATOM 457 CA CYS A 34 -1.957 5.260 -10.393 1.00 0.00 C ATOM 458 C CYS A 34 -2.443 3.814 -10.336 1.00 0.00 C ATOM 459 O CYS A 34 -2.914 3.267 -11.331 1.00 0.00 O ATOM 460 CB CYS A 34 -0.440 5.306 -10.195 1.00 0.00 C ATOM 461 SG CYS A 34 0.101 4.917 -8.500 1.00 0.00 S ATOM 0 H CYS A 34 -2.678 5.641 -8.462 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.203 5.669 -11.373 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.027 4.603 -10.884 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.080 6.300 -10.461 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.562 5.649 -7.654 1.00 0.00 H new ATOM 466 N GLY A 35 -2.327 3.203 -9.161 1.00 0.00 N ATOM 467 CA GLY A 35 -2.759 1.828 -8.994 1.00 0.00 C ATOM 468 C GLY A 35 -1.617 0.901 -8.630 1.00 0.00 C ATOM 469 O GLY A 35 -0.782 0.574 -9.473 1.00 0.00 O ATOM 0 H GLY A 35 -1.941 3.636 -8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.522 1.782 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.224 1.482 -9.917 1.00 0.00 H new ATOM 473 N ASN A 36 -1.578 0.477 -7.371 1.00 0.00 N ATOM 474 CA ASN A 36 -0.528 -0.416 -6.897 1.00 0.00 C ATOM 475 C ASN A 36 -0.977 -1.171 -5.650 1.00 0.00 C ATOM 476 O ASN A 36 -1.909 -0.755 -4.962 1.00 0.00 O ATOM 477 CB ASN A 36 0.747 0.376 -6.595 1.00 0.00 C ATOM 478 CG ASN A 36 1.585 0.616 -7.836 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.390 -0.228 -8.228 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.399 1.772 -8.462 1.00 0.00 N ATOM 0 H ASN A 36 -2.262 0.738 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.320 -1.141 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.480 1.334 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.341 -0.164 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.934 1.989 -9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.721 2.443 -8.102 1.00 0.00 H new ATOM 487 N SER A 37 -0.307 -2.283 -5.364 1.00 0.00 N ATOM 488 CA SER A 37 -0.639 -3.097 -4.201 1.00 0.00 C ATOM 489 C SER A 37 0.238 -2.727 -3.009 1.00 0.00 C ATOM 490 O SER A 37 1.466 -2.789 -3.084 1.00 0.00 O ATOM 491 CB SER A 37 -0.472 -4.583 -4.529 1.00 0.00 C ATOM 492 OG SER A 37 0.897 -4.927 -4.648 1.00 0.00 O ATOM 0 H SER A 37 0.469 -2.640 -5.922 1.00 0.00 H new ATOM 0 HA SER A 37 -1.679 -2.903 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.935 -5.186 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.991 -4.814 -5.459 1.00 0.00 H new ATOM 0 HG SER A 37 1.445 -4.249 -4.200 1.00 0.00 H new ATOM 498 N TYR A 38 -0.401 -2.341 -1.910 1.00 0.00 N ATOM 499 CA TYR A 38 0.319 -1.957 -0.702 1.00 0.00 C ATOM 500 C TYR A 38 -0.450 -2.377 0.547 1.00 0.00 C ATOM 501 O TYR A 38 -1.681 -2.377 0.563 1.00 0.00 O ATOM 502 CB TYR A 38 0.556 -0.446 -0.684 1.00 0.00 C ATOM 503 CG TYR A 38 1.389 0.051 -1.844 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.688 -0.403 -2.037 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.877 0.973 -2.747 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.453 0.048 -3.095 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.634 1.429 -3.810 1.00 0.00 C ATOM 508 CZ TYR A 38 2.922 0.963 -3.979 1.00 0.00 C ATOM 509 OH TYR A 38 3.679 1.414 -5.035 1.00 0.00 O ATOM 0 H TYR A 38 -1.416 -2.286 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 38 1.281 -2.470 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.407 0.064 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.050 -0.175 0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.107 -1.121 -1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.130 1.340 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.462 -0.314 -3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.220 2.146 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 38 3.327 2.274 -5.346 1.00 0.00 H new ATOM 519 N CYS A 39 0.286 -2.735 1.593 1.00 0.00 N ATOM 520 CA CYS A 39 -0.323 -3.159 2.849 1.00 0.00 C ATOM 521 C CYS A 39 -1.174 -2.041 3.445 1.00 0.00 C ATOM 522 O CYS A 39 -0.788 -0.872 3.416 1.00 0.00 O ATOM 523 CB CYS A 39 0.757 -3.581 3.847 1.00 0.00 C ATOM 524 SG CYS A 39 1.976 -4.754 3.172 1.00 0.00 S ATOM 0 H CYS A 39 1.306 -2.740 1.596 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.969 -4.012 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.280 -2.691 4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.277 -4.032 4.716 1.00 0.00 H new ATOM 0 HG CYS A 39 2.615 -4.197 2.186 1.00 0.00 H new ATOM 529 N ASP A 40 -2.331 -2.409 3.984 1.00 0.00 N ATOM 530 CA ASP A 40 -3.235 -1.437 4.589 1.00 0.00 C ATOM 531 C ASP A 40 -2.454 -0.331 5.291 1.00 0.00 C ATOM 532 O ASP A 40 -2.866 0.828 5.291 1.00 0.00 O ATOM 533 CB ASP A 40 -4.170 -2.129 5.582 1.00 0.00 C ATOM 534 CG ASP A 40 -4.607 -1.207 6.703 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.581 -0.451 6.505 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.976 -1.243 7.780 1.00 0.00 O ATOM 0 H ASP A 40 -2.665 -3.372 4.015 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.830 -0.987 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.050 -2.496 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.667 -2.998 6.005 1.00 0.00 H new ATOM 541 N GLU A 41 -1.327 -0.700 5.891 1.00 0.00 N ATOM 542 CA GLU A 41 -0.489 0.261 6.601 1.00 0.00 C ATOM 543 C GLU A 41 0.561 0.860 5.668 1.00 0.00 C ATOM 544 O GLU A 41 0.721 2.078 5.595 1.00 0.00 O ATOM 545 CB GLU A 41 0.193 -0.406 7.795 1.00 0.00 C ATOM 546 CG GLU A 41 1.074 -1.584 7.412 1.00 0.00 C ATOM 547 CD GLU A 41 1.690 -2.268 8.618 1.00 0.00 C ATOM 548 OE1 GLU A 41 0.983 -2.423 9.635 1.00 0.00 O ATOM 549 OE2 GLU A 41 2.877 -2.648 8.544 1.00 0.00 O ATOM 0 H GLU A 41 -0.973 -1.656 5.900 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.130 1.065 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.798 0.335 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.570 -0.746 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.483 -2.308 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.868 -1.239 6.750 1.00 0.00 H new ATOM 556 N CYS A 42 1.275 -0.007 4.958 1.00 0.00 N ATOM 557 CA CYS A 42 2.311 0.432 4.031 1.00 0.00 C ATOM 558 C CYS A 42 1.898 1.719 3.323 1.00 0.00 C ATOM 559 O CYS A 42 2.602 2.727 3.384 1.00 0.00 O ATOM 560 CB CYS A 42 2.600 -0.661 3.000 1.00 0.00 C ATOM 561 SG CYS A 42 3.953 -1.786 3.469 1.00 0.00 S ATOM 0 H CYS A 42 1.155 -1.019 5.007 1.00 0.00 H new ATOM 0 HA CYS A 42 3.217 0.629 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.694 -1.246 2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.846 -0.191 2.048 1.00 0.00 H new ATOM 0 HG CYS A 42 3.501 -3.003 3.538 1.00 0.00 H new ATOM 566 N ILE A 43 0.751 1.676 2.653 1.00 0.00 N ATOM 567 CA ILE A 43 0.242 2.838 1.935 1.00 0.00 C ATOM 568 C ILE A 43 -0.143 3.956 2.899 1.00 0.00 C ATOM 569 O ILE A 43 -0.049 5.137 2.565 1.00 0.00 O ATOM 570 CB ILE A 43 -0.981 2.475 1.072 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.432 3.687 0.254 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.115 1.969 1.948 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.609 3.915 -0.995 1.00 0.00 C ATOM 0 H ILE A 43 0.157 0.849 2.593 1.00 0.00 H new ATOM 0 HA ILE A 43 1.046 3.184 1.285 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.698 1.680 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.477 3.556 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.380 4.577 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.972 1.717 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.788 1.082 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.400 2.745 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.986 4.790 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.433 4.078 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.680 3.041 -1.642 1.00 0.00 H new ATOM 585 N ARG A 44 -0.575 3.573 4.096 1.00 0.00 N ATOM 586 CA ARG A 44 -0.973 4.543 5.109 1.00 0.00 C ATOM 587 C ARG A 44 0.218 5.385 5.555 1.00 0.00 C ATOM 588 O ARG A 44 0.192 6.613 5.467 1.00 0.00 O ATOM 589 CB ARG A 44 -1.586 3.828 6.315 1.00 0.00 C ATOM 590 CG ARG A 44 -1.999 4.770 7.435 1.00 0.00 C ATOM 591 CD ARG A 44 -2.732 4.029 8.544 1.00 0.00 C ATOM 592 NE ARG A 44 -3.980 3.436 8.073 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.937 2.996 8.884 1.00 0.00 C ATOM 594 NH1 ARG A 44 -4.787 3.083 10.199 1.00 0.00 N ATOM 595 NH2 ARG A 44 -6.045 2.468 8.380 1.00 0.00 N ATOM 0 H ARG A 44 -0.658 2.599 4.388 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.718 5.205 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.458 3.262 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.867 3.107 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.115 5.259 7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.641 5.555 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.087 3.247 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.944 4.718 9.362 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.126 3.355 7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.936 3.488 10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.522 2.745 10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.163 2.399 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.779 2.131 9.003 1.00 0.00 H new ATOM 609 N THR A 45 1.262 4.716 6.034 1.00 0.00 N ATOM 610 CA THR A 45 2.463 5.403 6.496 1.00 0.00 C ATOM 611 C THR A 45 3.120 6.183 5.363 1.00 0.00 C ATOM 612 O THR A 45 3.406 7.372 5.499 1.00 0.00 O ATOM 613 CB THR A 45 3.487 4.412 7.081 1.00 0.00 C ATOM 614 OG1 THR A 45 2.909 3.709 8.187 1.00 0.00 O ATOM 615 CG2 THR A 45 4.744 5.138 7.535 1.00 0.00 C ATOM 0 H THR A 45 1.301 3.700 6.112 1.00 0.00 H new ATOM 0 HA THR A 45 2.150 6.095 7.278 1.00 0.00 H new ATOM 0 HB THR A 45 3.760 3.701 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.565 3.079 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.452 4.418 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.196 5.649 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.485 5.869 8.302 1.00 0.00 H new ATOM 623 N ALA A 46 3.355 5.507 4.243 1.00 0.00 N ATOM 624 CA ALA A 46 3.975 6.137 3.085 1.00 0.00 C ATOM 625 C ALA A 46 3.533 7.590 2.948 1.00 0.00 C ATOM 626 O ALA A 46 4.342 8.510 3.065 1.00 0.00 O ATOM 627 CB ALA A 46 3.643 5.360 1.820 1.00 0.00 C ATOM 0 H ALA A 46 3.125 4.522 4.114 1.00 0.00 H new ATOM 0 HA ALA A 46 5.055 6.126 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.113 5.842 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.015 4.340 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.562 5.341 1.678 1.00 0.00 H new ATOM 633 N LEU A 47 2.243 7.789 2.698 1.00 0.00 N ATOM 634 CA LEU A 47 1.692 9.131 2.545 1.00 0.00 C ATOM 635 C LEU A 47 2.196 10.056 3.647 1.00 0.00 C ATOM 636 O LEU A 47 2.430 11.244 3.418 1.00 0.00 O ATOM 637 CB LEU A 47 0.163 9.080 2.565 1.00 0.00 C ATOM 638 CG LEU A 47 -0.500 8.352 1.396 1.00 0.00 C ATOM 639 CD1 LEU A 47 -2.011 8.332 1.567 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.119 9.005 0.075 1.00 0.00 C ATOM 0 H LEU A 47 1.560 7.038 2.597 1.00 0.00 H new ATOM 0 HA LEU A 47 2.024 9.527 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.152 8.600 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.214 10.102 2.591 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.143 7.322 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.466 7.810 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.266 7.818 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.386 9.355 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.600 8.473 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.446 10.045 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.963 8.965 -0.052 1.00 0.00 H new ATOM 652 N LEU A 48 2.364 9.505 4.844 1.00 0.00 N ATOM 653 CA LEU A 48 2.844 10.281 5.983 1.00 0.00 C ATOM 654 C LEU A 48 4.339 10.556 5.864 1.00 0.00 C ATOM 655 O LEU A 48 4.779 11.701 5.972 1.00 0.00 O ATOM 656 CB LEU A 48 2.554 9.539 7.289 1.00 0.00 C ATOM 657 CG LEU A 48 1.102 9.115 7.512 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.972 8.305 8.793 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.192 10.334 7.556 1.00 0.00 C ATOM 0 H LEU A 48 2.175 8.524 5.051 1.00 0.00 H new ATOM 0 HA LEU A 48 2.317 11.235 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.181 8.648 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.857 10.176 8.120 1.00 0.00 H new ATOM 0 HG LEU A 48 0.795 8.486 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.068 8.012 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.594 7.412 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.297 8.909 9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.838 10.014 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.499 10.988 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.262 10.874 6.612 1.00 0.00 H new ATOM 671 N GLU A 49 5.115 9.501 5.635 1.00 0.00 N ATOM 672 CA GLU A 49 6.560 9.631 5.499 1.00 0.00 C ATOM 673 C GLU A 49 6.927 10.955 4.832 1.00 0.00 C ATOM 674 O GLU A 49 7.583 11.804 5.435 1.00 0.00 O ATOM 675 CB GLU A 49 7.125 8.464 4.686 1.00 0.00 C ATOM 676 CG GLU A 49 7.132 7.145 5.439 1.00 0.00 C ATOM 677 CD GLU A 49 7.976 6.088 4.755 1.00 0.00 C ATOM 678 OE1 GLU A 49 7.672 5.742 3.594 1.00 0.00 O ATOM 679 OE2 GLU A 49 8.943 5.605 5.383 1.00 0.00 O ATOM 0 H GLU A 49 4.766 8.547 5.540 1.00 0.00 H new ATOM 0 HA GLU A 49 6.996 9.614 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.538 8.349 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.144 8.704 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.509 7.309 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.109 6.781 5.536 1.00 0.00 H new ATOM 686 N SER A 50 6.499 11.121 3.585 1.00 0.00 N ATOM 687 CA SER A 50 6.785 12.337 2.835 1.00 0.00 C ATOM 688 C SER A 50 6.121 13.546 3.486 1.00 0.00 C ATOM 689 O SER A 50 5.091 13.421 4.147 1.00 0.00 O ATOM 690 CB SER A 50 6.306 12.195 1.389 1.00 0.00 C ATOM 691 OG SER A 50 6.927 11.092 0.751 1.00 0.00 O ATOM 0 H SER A 50 5.953 10.428 3.073 1.00 0.00 H new ATOM 0 HA SER A 50 7.864 12.491 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.224 12.066 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.527 13.109 0.838 1.00 0.00 H new ATOM 0 HG SER A 50 6.603 11.022 -0.171 1.00 0.00 H new ATOM 697 N ASP A 51 6.720 14.717 3.295 1.00 0.00 N ATOM 698 CA ASP A 51 6.188 15.950 3.863 1.00 0.00 C ATOM 699 C ASP A 51 4.663 15.928 3.878 1.00 0.00 C ATOM 700 O ASP A 51 4.038 16.189 4.905 1.00 0.00 O ATOM 701 CB ASP A 51 6.684 17.159 3.069 1.00 0.00 C ATOM 702 CG ASP A 51 8.137 17.485 3.358 1.00 0.00 C ATOM 703 OD1 ASP A 51 8.994 16.597 3.170 1.00 0.00 O ATOM 704 OD2 ASP A 51 8.415 18.630 3.772 1.00 0.00 O ATOM 0 H ASP A 51 7.574 14.838 2.751 1.00 0.00 H new ATOM 0 HA ASP A 51 6.543 16.029 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.563 16.965 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.066 18.025 3.307 1.00 0.00 H new ATOM 709 N GLU A 52 4.069 15.613 2.731 1.00 0.00 N ATOM 710 CA GLU A 52 2.617 15.559 2.612 1.00 0.00 C ATOM 711 C GLU A 52 2.178 14.295 1.878 1.00 0.00 C ATOM 712 O GLU A 52 3.008 13.512 1.415 1.00 0.00 O ATOM 713 CB GLU A 52 2.096 16.796 1.877 1.00 0.00 C ATOM 714 CG GLU A 52 2.515 18.107 2.520 1.00 0.00 C ATOM 715 CD GLU A 52 1.554 18.560 3.602 1.00 0.00 C ATOM 716 OE1 GLU A 52 1.262 17.756 4.511 1.00 0.00 O ATOM 717 OE2 GLU A 52 1.093 19.719 3.538 1.00 0.00 O ATOM 0 H GLU A 52 4.571 15.391 1.871 1.00 0.00 H new ATOM 0 HA GLU A 52 2.197 15.539 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.455 16.775 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.008 16.753 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.511 17.995 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.582 18.878 1.753 1.00 0.00 H new ATOM 724 N HIS A 53 0.866 14.102 1.775 1.00 0.00 N ATOM 725 CA HIS A 53 0.316 12.934 1.097 1.00 0.00 C ATOM 726 C HIS A 53 0.730 12.912 -0.371 1.00 0.00 C ATOM 727 O HIS A 53 -0.027 13.332 -1.247 1.00 0.00 O ATOM 728 CB HIS A 53 -1.208 12.923 1.210 1.00 0.00 C ATOM 729 CG HIS A 53 -1.705 12.618 2.589 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.822 11.847 2.834 1.00 0.00 N ATOM 731 CD2 HIS A 53 -1.228 12.981 3.804 1.00 0.00 C ATOM 732 CE1 HIS A 53 -3.013 11.752 4.138 1.00 0.00 C ATOM 733 NE2 HIS A 53 -2.058 12.432 4.749 1.00 0.00 N ATOM 0 H HIS A 53 0.165 14.740 2.152 1.00 0.00 H new ATOM 0 HA HIS A 53 0.715 12.043 1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.594 13.894 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.610 12.184 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.356 13.590 3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.813 11.211 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.955 12.532 5.759 1.00 0.00 H new ATOM 741 N THR A 54 1.937 12.422 -0.634 1.00 0.00 N ATOM 742 CA THR A 54 2.452 12.348 -1.996 1.00 0.00 C ATOM 743 C THR A 54 2.805 10.913 -2.372 1.00 0.00 C ATOM 744 O THR A 54 3.891 10.427 -2.056 1.00 0.00 O ATOM 745 CB THR A 54 3.698 13.235 -2.174 1.00 0.00 C ATOM 746 OG1 THR A 54 3.422 14.565 -1.720 1.00 0.00 O ATOM 747 CG2 THR A 54 4.133 13.271 -3.631 1.00 0.00 C ATOM 0 H THR A 54 2.577 12.070 0.078 1.00 0.00 H new ATOM 0 HA THR A 54 1.661 12.709 -2.654 1.00 0.00 H new ATOM 0 HB THR A 54 4.507 12.810 -1.580 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.220 15.122 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.015 13.904 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.371 12.261 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.325 13.674 -4.242 1.00 0.00 H new ATOM 755 N CYS A 55 1.882 10.241 -3.052 1.00 0.00 N ATOM 756 CA CYS A 55 2.096 8.862 -3.474 1.00 0.00 C ATOM 757 C CYS A 55 3.535 8.650 -3.934 1.00 0.00 C ATOM 758 O CYS A 55 4.119 9.480 -4.631 1.00 0.00 O ATOM 759 CB CYS A 55 1.129 8.495 -4.601 1.00 0.00 C ATOM 760 SG CYS A 55 1.465 6.880 -5.373 1.00 0.00 S ATOM 0 H CYS A 55 0.978 10.629 -3.323 1.00 0.00 H new ATOM 0 HA CYS A 55 1.908 8.214 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.113 8.493 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.172 9.268 -5.368 1.00 0.00 H new ATOM 0 HG CYS A 55 0.806 5.953 -4.744 1.00 0.00 H new ATOM 765 N PRO A 56 4.122 7.512 -3.535 1.00 0.00 N ATOM 766 CA PRO A 56 5.500 7.164 -3.896 1.00 0.00 C ATOM 767 C PRO A 56 5.646 6.836 -5.377 1.00 0.00 C ATOM 768 O PRO A 56 6.536 7.352 -6.055 1.00 0.00 O ATOM 769 CB PRO A 56 5.788 5.925 -3.043 1.00 0.00 C ATOM 770 CG PRO A 56 4.450 5.324 -2.784 1.00 0.00 C ATOM 771 CD PRO A 56 3.487 6.477 -2.703 1.00 0.00 C ATOM 0 HA PRO A 56 6.189 7.990 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.441 5.227 -3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.289 6.193 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.170 4.637 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.452 4.751 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.502 6.205 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.351 6.815 -1.676 1.00 0.00 H new ATOM 779 N THR A 57 4.767 5.973 -5.878 1.00 0.00 N ATOM 780 CA THR A 57 4.798 5.576 -7.279 1.00 0.00 C ATOM 781 C THR A 57 4.684 6.787 -8.197 1.00 0.00 C ATOM 782 O THR A 57 5.553 7.027 -9.037 1.00 0.00 O ATOM 783 CB THR A 57 3.663 4.588 -7.609 1.00 0.00 C ATOM 784 OG1 THR A 57 3.618 3.548 -6.626 1.00 0.00 O ATOM 785 CG2 THR A 57 3.859 3.979 -8.989 1.00 0.00 C ATOM 0 H THR A 57 4.024 5.536 -5.333 1.00 0.00 H new ATOM 0 HA THR A 57 5.757 5.086 -7.446 1.00 0.00 H new ATOM 0 HB THR A 57 2.721 5.136 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.212 2.817 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.045 3.285 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.864 4.770 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.809 3.445 -9.019 1.00 0.00 H new ATOM 793 N CYS A 58 3.609 7.550 -8.033 1.00 0.00 N ATOM 794 CA CYS A 58 3.380 8.738 -8.846 1.00 0.00 C ATOM 795 C CYS A 58 3.146 9.962 -7.967 1.00 0.00 C ATOM 796 O CYS A 58 2.161 10.033 -7.232 1.00 0.00 O ATOM 797 CB CYS A 58 2.182 8.525 -9.773 1.00 0.00 C ATOM 798 SG CYS A 58 0.581 8.434 -8.909 1.00 0.00 S ATOM 0 H CYS A 58 2.881 7.366 -7.343 1.00 0.00 H new ATOM 0 HA CYS A 58 4.271 8.911 -9.450 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.147 9.339 -10.496 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.331 7.604 -10.337 1.00 0.00 H new ATOM 0 HG CYS A 58 0.315 7.195 -8.617 1.00 0.00 H new ATOM 803 N HIS A 59 4.059 10.926 -8.048 1.00 0.00 N ATOM 804 CA HIS A 59 3.951 12.149 -7.261 1.00 0.00 C ATOM 805 C HIS A 59 2.534 12.711 -7.320 1.00 0.00 C ATOM 806 O HIS A 59 2.157 13.366 -8.292 1.00 0.00 O ATOM 807 CB HIS A 59 4.948 13.193 -7.764 1.00 0.00 C ATOM 808 CG HIS A 59 4.593 13.764 -9.103 1.00 0.00 C ATOM 809 ND1 HIS A 59 4.605 13.020 -10.264 1.00 0.00 N ATOM 810 CD2 HIS A 59 4.215 15.012 -9.461 1.00 0.00 C ATOM 811 CE1 HIS A 59 4.250 13.788 -11.279 1.00 0.00 C ATOM 812 NE2 HIS A 59 4.007 15.002 -10.819 1.00 0.00 N ATOM 0 H HIS A 59 4.881 10.883 -8.650 1.00 0.00 H new ATOM 0 HA HIS A 59 4.183 11.906 -6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.011 14.003 -7.038 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.938 12.740 -7.822 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.098 15.859 -8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.172 13.476 -12.310 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.713 15.801 -11.380 1.00 0.00 H new ATOM 820 N GLN A 60 1.755 12.450 -6.276 1.00 0.00 N ATOM 821 CA GLN A 60 0.379 12.928 -6.211 1.00 0.00 C ATOM 822 C GLN A 60 0.218 13.976 -5.114 1.00 0.00 C ATOM 823 O GLN A 60 1.133 14.207 -4.325 1.00 0.00 O ATOM 824 CB GLN A 60 -0.579 11.761 -5.961 1.00 0.00 C ATOM 825 CG GLN A 60 -1.916 11.910 -6.669 1.00 0.00 C ATOM 826 CD GLN A 60 -2.960 12.587 -5.805 1.00 0.00 C ATOM 827 OE1 GLN A 60 -2.932 12.483 -4.579 1.00 0.00 O ATOM 828 NE2 GLN A 60 -3.894 13.285 -6.442 1.00 0.00 N ATOM 0 H GLN A 60 2.053 11.910 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 60 0.137 13.389 -7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.105 10.836 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.753 11.668 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.777 12.487 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.278 10.925 -6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.880 13.345 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.625 13.761 -5.913 1.00 0.00 H new ATOM 837 N ASN A 61 -0.951 14.606 -5.071 1.00 0.00 N ATOM 838 CA ASN A 61 -1.231 15.630 -4.072 1.00 0.00 C ATOM 839 C ASN A 61 -2.565 15.365 -3.380 1.00 0.00 C ATOM 840 O ASN A 61 -3.623 15.745 -3.882 1.00 0.00 O ATOM 841 CB ASN A 61 -1.248 17.016 -4.722 1.00 0.00 C ATOM 842 CG ASN A 61 -0.338 17.097 -5.933 1.00 0.00 C ATOM 843 OD1 ASN A 61 0.769 17.631 -5.856 1.00 0.00 O ATOM 844 ND2 ASN A 61 -0.802 16.567 -7.058 1.00 0.00 N ATOM 0 H ASN A 61 -1.720 14.425 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.440 15.597 -3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.267 17.262 -5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.941 17.762 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.235 16.592 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.726 16.135 -7.075 1.00 0.00 H new ATOM 851 N ASP A 62 -2.506 14.712 -2.225 1.00 0.00 N ATOM 852 CA ASP A 62 -3.708 14.397 -1.463 1.00 0.00 C ATOM 853 C ASP A 62 -4.484 13.257 -2.118 1.00 0.00 C ATOM 854 O ASP A 62 -5.670 13.393 -2.418 1.00 0.00 O ATOM 855 CB ASP A 62 -4.600 15.633 -1.342 1.00 0.00 C ATOM 856 CG ASP A 62 -5.445 15.617 -0.083 1.00 0.00 C ATOM 857 OD1 ASP A 62 -6.508 14.962 -0.091 1.00 0.00 O ATOM 858 OD2 ASP A 62 -5.043 16.259 0.910 1.00 0.00 O ATOM 0 H ASP A 62 -1.638 14.390 -1.796 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.403 14.080 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.978 16.528 -1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.252 15.693 -2.213 1.00 0.00 H new ATOM 863 N VAL A 63 -3.805 12.136 -2.335 1.00 0.00 N ATOM 864 CA VAL A 63 -4.431 10.972 -2.954 1.00 0.00 C ATOM 865 C VAL A 63 -5.557 10.426 -2.085 1.00 0.00 C ATOM 866 O VAL A 63 -5.331 10.001 -0.952 1.00 0.00 O ATOM 867 CB VAL A 63 -3.404 9.853 -3.209 1.00 0.00 C ATOM 868 CG1 VAL A 63 -2.938 9.247 -1.894 1.00 0.00 C ATOM 869 CG2 VAL A 63 -3.995 8.785 -4.117 1.00 0.00 C ATOM 0 H VAL A 63 -2.823 12.008 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.842 11.303 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.538 10.285 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.213 8.458 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.474 10.020 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.793 8.828 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.256 8.002 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.878 8.354 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.275 9.232 -5.071 1.00 0.00 H new ATOM 879 N SER A 64 -6.773 10.441 -2.623 1.00 0.00 N ATOM 880 CA SER A 64 -7.936 9.949 -1.895 1.00 0.00 C ATOM 881 C SER A 64 -7.599 8.675 -1.126 1.00 0.00 C ATOM 882 O SER A 64 -7.532 7.581 -1.686 1.00 0.00 O ATOM 883 CB SER A 64 -9.094 9.684 -2.860 1.00 0.00 C ATOM 884 OG SER A 64 -9.676 10.897 -3.304 1.00 0.00 O ATOM 0 H SER A 64 -6.978 10.788 -3.560 1.00 0.00 H new ATOM 0 HA SER A 64 -8.235 10.715 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.734 9.115 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.850 9.073 -2.367 1.00 0.00 H new ATOM 0 HG SER A 64 -10.412 10.700 -3.920 1.00 0.00 H new ATOM 890 N PRO A 65 -7.381 8.820 0.189 1.00 0.00 N ATOM 891 CA PRO A 65 -7.047 7.692 1.064 1.00 0.00 C ATOM 892 C PRO A 65 -8.225 6.744 1.265 1.00 0.00 C ATOM 893 O PRO A 65 -8.040 5.561 1.546 1.00 0.00 O ATOM 894 CB PRO A 65 -6.674 8.368 2.387 1.00 0.00 C ATOM 895 CG PRO A 65 -7.400 9.669 2.365 1.00 0.00 C ATOM 896 CD PRO A 65 -7.445 10.094 0.924 1.00 0.00 C ATOM 0 HA PRO A 65 -6.253 7.074 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.975 7.761 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.597 8.517 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.406 9.562 2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.887 10.412 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.358 10.644 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.609 10.746 0.671 1.00 0.00 H new ATOM 904 N ASP A 66 -9.434 7.272 1.116 1.00 0.00 N ATOM 905 CA ASP A 66 -10.643 6.472 1.278 1.00 0.00 C ATOM 906 C ASP A 66 -10.946 5.683 0.008 1.00 0.00 C ATOM 907 O ASP A 66 -11.411 4.545 0.069 1.00 0.00 O ATOM 908 CB ASP A 66 -11.830 7.369 1.632 1.00 0.00 C ATOM 909 CG ASP A 66 -11.764 7.881 3.057 1.00 0.00 C ATOM 910 OD1 ASP A 66 -10.640 8.054 3.575 1.00 0.00 O ATOM 911 OD2 ASP A 66 -12.836 8.112 3.655 1.00 0.00 O ATOM 0 H ASP A 66 -9.604 8.250 0.883 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.476 5.766 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.859 8.215 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.757 6.813 1.491 1.00 0.00 H new ATOM 916 N ALA A 67 -10.683 6.296 -1.141 1.00 0.00 N ATOM 917 CA ALA A 67 -10.927 5.651 -2.425 1.00 0.00 C ATOM 918 C ALA A 67 -10.487 4.191 -2.398 1.00 0.00 C ATOM 919 O ALA A 67 -11.121 3.329 -3.010 1.00 0.00 O ATOM 920 CB ALA A 67 -10.209 6.399 -3.537 1.00 0.00 C ATOM 0 H ALA A 67 -10.301 7.239 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.999 5.677 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.400 5.906 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.574 7.425 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.137 6.403 -3.340 1.00 0.00 H new ATOM 926 N LEU A 68 -9.400 3.918 -1.685 1.00 0.00 N ATOM 927 CA LEU A 68 -8.875 2.561 -1.579 1.00 0.00 C ATOM 928 C LEU A 68 -10.004 1.554 -1.390 1.00 0.00 C ATOM 929 O LEU A 68 -11.083 1.898 -0.908 1.00 0.00 O ATOM 930 CB LEU A 68 -7.890 2.465 -0.412 1.00 0.00 C ATOM 931 CG LEU A 68 -6.784 3.520 -0.378 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.968 3.397 0.899 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.887 3.392 -1.601 1.00 0.00 C ATOM 0 H LEU A 68 -8.865 4.618 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.354 2.325 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.454 2.528 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.424 1.480 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.248 4.506 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.186 4.156 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.619 3.539 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.514 2.407 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.106 4.151 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.431 2.402 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.481 3.531 -2.504 1.00 0.00 H new ATOM 945 N SER A 69 -9.748 0.306 -1.773 1.00 0.00 N ATOM 946 CA SER A 69 -10.743 -0.751 -1.647 1.00 0.00 C ATOM 947 C SER A 69 -10.868 -1.212 -0.198 1.00 0.00 C ATOM 948 O SER A 69 -10.831 -2.407 0.090 1.00 0.00 O ATOM 949 CB SER A 69 -10.373 -1.936 -2.541 1.00 0.00 C ATOM 950 OG SER A 69 -9.354 -2.723 -1.949 1.00 0.00 O ATOM 0 H SER A 69 -8.860 0.004 -2.173 1.00 0.00 H new ATOM 0 HA SER A 69 -11.705 -0.350 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.255 -2.551 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.038 -1.572 -3.512 1.00 0.00 H new ATOM 0 HG SER A 69 -9.693 -3.131 -1.125 1.00 0.00 H new