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 18 CYS SG : rot 170:sc= 2.89 USER MOD Set 1.2: A 21 CYS SG : rot -31:sc= -0.683! USER MOD Set 1.3: A 39 CYS SG : rot 74:sc= -0.307 USER MOD Set 1.4: A 42 CYS SG : rot 119:sc= -0.522 USER MOD Set 2.1: A 33 CYS SG : rot 59:sc= -11.2! USER MOD Set 2.2: A 34 CYS SG : rot -120:sc= -2.6! USER MOD Set 2.3: A 36 ASN : amide:sc= -5.09! C(o=-18!,f=-19!) USER MOD Set 2.4: A 38 TYR OH : rot 30:sc= 0.797 USER MOD Set 2.5: A 55 CYS SG : rot 141:sc= -0.534 USER MOD Set 2.6: A 57 THR OG1 : rot 149:sc= 0.528 USER MOD Set 2.7: A 58 CYS SG : rot -59:sc= 0.121 USER MOD Set 3.1: A 25 MET CE :methyl 176:sc= -4.74! (180deg=-5.06!) USER MOD Set 3.2: A 37 SER OG : rot 70:sc= -0.318 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0425 (180deg=-0.316) 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 150:sc= -1.26 USER MOD Single : A 53 HIS : no HD1:sc= -0.948 X(o=-0.95,f=-0.65) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -8.68! C(o=-8.7!,f=-23!) USER MOD Single : A 61 ASN : amide:sc= -0.145 X(o=-0.14,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 0.070 -11.162 -4.190 1.00 0.00 N ATOM 180 CA LEU A 16 -0.460 -11.108 -2.832 1.00 0.00 C ATOM 181 C LEU A 16 0.353 -10.149 -1.969 1.00 0.00 C ATOM 182 O LEU A 16 -0.203 -9.376 -1.187 1.00 0.00 O ATOM 183 CB LEU A 16 -0.456 -12.504 -2.207 1.00 0.00 C ATOM 184 CG LEU A 16 -1.725 -13.333 -2.411 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.528 -14.747 -1.888 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.912 -12.670 -1.726 1.00 0.00 C ATOM 0 HA LEU A 16 -1.486 -10.742 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.388 -13.061 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.282 -12.401 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.932 -13.388 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.441 -15.322 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.706 -15.222 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.296 -14.712 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.806 -13.274 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.714 -12.584 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.067 -11.677 -2.147 1.00 0.00 H new ATOM 198 N LEU A 17 1.672 -10.203 -2.116 1.00 0.00 N ATOM 199 CA LEU A 17 2.564 -9.337 -1.349 1.00 0.00 C ATOM 200 C LEU A 17 2.635 -7.946 -1.969 1.00 0.00 C ATOM 201 O LEU A 17 2.328 -7.762 -3.148 1.00 0.00 O ATOM 202 CB LEU A 17 3.963 -9.950 -1.279 1.00 0.00 C ATOM 203 CG LEU A 17 4.065 -11.315 -0.600 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.448 -11.913 -0.809 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.752 -11.198 0.885 1.00 0.00 C ATOM 0 H LEU A 17 2.148 -10.836 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 17 2.164 -9.244 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.349 -10.042 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.616 -9.255 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 17 3.331 -11.980 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.502 -12.885 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.635 -12.034 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.200 -11.249 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.830 -12.180 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.462 -10.516 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.740 -10.814 1.014 1.00 0.00 H new ATOM 217 N CYS A 18 3.044 -6.968 -1.168 1.00 0.00 N ATOM 218 CA CYS A 18 3.159 -5.592 -1.638 1.00 0.00 C ATOM 219 C CYS A 18 4.516 -5.353 -2.295 1.00 0.00 C ATOM 220 O CYS A 18 5.435 -6.161 -2.159 1.00 0.00 O ATOM 221 CB CYS A 18 2.965 -4.617 -0.475 1.00 0.00 C ATOM 222 SG CYS A 18 4.381 -4.531 0.669 1.00 0.00 S ATOM 0 H CYS A 18 3.301 -7.102 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 18 2.380 -5.422 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.776 -3.622 -0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.077 -4.909 0.085 1.00 0.00 H new ATOM 0 HG CYS A 18 4.212 -3.541 1.494 1.00 0.00 H new ATOM 227 N LEU A 19 4.633 -4.237 -3.006 1.00 0.00 N ATOM 228 CA LEU A 19 5.876 -3.889 -3.685 1.00 0.00 C ATOM 229 C LEU A 19 6.705 -2.924 -2.844 1.00 0.00 C ATOM 230 O LEU A 19 7.461 -2.112 -3.378 1.00 0.00 O ATOM 231 CB LEU A 19 5.579 -3.268 -5.051 1.00 0.00 C ATOM 232 CG LEU A 19 4.588 -4.030 -5.933 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.131 -3.161 -7.094 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.213 -5.320 -6.445 1.00 0.00 C ATOM 0 H LEU A 19 3.882 -3.558 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 19 6.451 -4.804 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.195 -2.260 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.518 -3.170 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 19 3.716 -4.286 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.427 -3.719 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.645 -2.265 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.993 -2.875 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.494 -5.849 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.101 -5.086 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.491 -5.950 -5.600 1.00 0.00 H new ATOM 246 N ILE A 20 6.557 -3.019 -1.527 1.00 0.00 N ATOM 247 CA ILE A 20 7.294 -2.155 -0.613 1.00 0.00 C ATOM 248 C ILE A 20 8.102 -2.976 0.387 1.00 0.00 C ATOM 249 O ILE A 20 9.322 -3.093 0.268 1.00 0.00 O ATOM 250 CB ILE A 20 6.349 -1.214 0.158 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.752 -0.170 -0.787 1.00 0.00 C ATOM 252 CG2 ILE A 20 7.091 -0.540 1.302 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.639 0.644 -0.164 1.00 0.00 C ATOM 0 H ILE A 20 5.934 -3.685 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 20 7.972 -1.557 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 20 5.534 -1.804 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.543 0.504 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.370 -0.673 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.410 0.122 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.472 -1.299 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.923 0.041 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.264 1.364 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.830 -0.020 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.021 1.175 0.708 1.00 0.00 H new ATOM 265 N CYS A 21 7.414 -3.544 1.371 1.00 0.00 N ATOM 266 CA CYS A 21 8.067 -4.356 2.392 1.00 0.00 C ATOM 267 C CYS A 21 7.968 -5.840 2.051 1.00 0.00 C ATOM 268 O CYS A 21 8.608 -6.679 2.687 1.00 0.00 O ATOM 269 CB CYS A 21 7.437 -4.094 3.761 1.00 0.00 C ATOM 270 SG CYS A 21 5.749 -4.756 3.943 1.00 0.00 S ATOM 0 H CYS A 21 6.404 -3.457 1.484 1.00 0.00 H new ATOM 0 HA CYS A 21 9.120 -4.077 2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.072 -4.532 4.531 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.415 -3.019 3.939 1.00 0.00 H new ATOM 0 HG CYS A 21 5.150 -4.741 2.789 1.00 0.00 H new ATOM 275 N LYS A 22 7.164 -6.157 1.041 1.00 0.00 N ATOM 276 CA LYS A 22 6.983 -7.540 0.614 1.00 0.00 C ATOM 277 C LYS A 22 6.364 -8.378 1.727 1.00 0.00 C ATOM 278 O LYS A 22 6.912 -9.408 2.120 1.00 0.00 O ATOM 279 CB LYS A 22 8.324 -8.145 0.191 1.00 0.00 C ATOM 280 CG LYS A 22 9.035 -7.350 -0.890 1.00 0.00 C ATOM 281 CD LYS A 22 8.337 -7.486 -2.233 1.00 0.00 C ATOM 282 CE LYS A 22 8.794 -8.732 -2.976 1.00 0.00 C ATOM 283 NZ LYS A 22 10.210 -8.623 -3.424 1.00 0.00 N ATOM 0 H LYS A 22 6.628 -5.476 0.503 1.00 0.00 H new ATOM 0 HA LYS A 22 6.304 -7.544 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.973 -8.216 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.158 -9.161 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.074 -6.299 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.065 -7.694 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.258 -7.527 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.540 -6.604 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.684 -9.602 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.151 -8.895 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.376 -9.279 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.401 -7.650 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.843 -8.865 -2.635 1.00 0.00 H new ATOM 297 N ASP A 23 5.219 -7.930 2.231 1.00 0.00 N ATOM 298 CA ASP A 23 4.524 -8.640 3.298 1.00 0.00 C ATOM 299 C ASP A 23 3.043 -8.802 2.969 1.00 0.00 C ATOM 300 O ASP A 23 2.428 -7.912 2.382 1.00 0.00 O ATOM 301 CB ASP A 23 4.686 -7.897 4.625 1.00 0.00 C ATOM 302 CG ASP A 23 3.838 -8.494 5.731 1.00 0.00 C ATOM 303 OD1 ASP A 23 4.137 -9.628 6.160 1.00 0.00 O ATOM 304 OD2 ASP A 23 2.875 -7.829 6.166 1.00 0.00 O ATOM 0 H ASP A 23 4.753 -7.079 1.918 1.00 0.00 H new ATOM 0 HA ASP A 23 4.968 -9.631 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.734 -7.917 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.414 -6.850 4.487 1.00 0.00 H new ATOM 309 N ILE A 24 2.479 -9.943 3.349 1.00 0.00 N ATOM 310 CA ILE A 24 1.071 -10.220 3.094 1.00 0.00 C ATOM 311 C ILE A 24 0.200 -9.023 3.460 1.00 0.00 C ATOM 312 O ILE A 24 0.200 -8.569 4.604 1.00 0.00 O ATOM 313 CB ILE A 24 0.588 -11.452 3.882 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.402 -12.687 3.489 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.895 -11.689 3.638 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.222 -13.854 4.434 1.00 0.00 C ATOM 0 H ILE A 24 2.975 -10.690 3.834 1.00 0.00 H new ATOM 0 HA ILE A 24 0.977 -10.422 2.027 1.00 0.00 H new ATOM 0 HB ILE A 24 0.736 -11.266 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.116 -12.996 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.458 -12.420 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.221 -12.563 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.461 -10.816 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.066 -11.858 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.828 -14.694 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.536 -13.562 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.173 -14.148 4.453 1.00 0.00 H new ATOM 328 N MET A 25 -0.544 -8.518 2.481 1.00 0.00 N ATOM 329 CA MET A 25 -1.423 -7.376 2.701 1.00 0.00 C ATOM 330 C MET A 25 -2.819 -7.834 3.112 1.00 0.00 C ATOM 331 O MET A 25 -3.652 -8.155 2.264 1.00 0.00 O ATOM 332 CB MET A 25 -1.506 -6.517 1.438 1.00 0.00 C ATOM 333 CG MET A 25 -0.157 -6.269 0.783 1.00 0.00 C ATOM 334 SD MET A 25 -0.302 -5.448 -0.817 1.00 0.00 S ATOM 335 CE MET A 25 -0.694 -6.838 -1.876 1.00 0.00 C ATOM 0 H MET A 25 -0.555 -8.882 1.528 1.00 0.00 H new ATOM 0 HA MET A 25 -1.004 -6.778 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.166 -7.004 0.720 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.961 -5.559 1.689 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.458 -5.659 1.445 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.360 -7.220 0.654 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.884 -6.482 -2.888 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.145 -7.534 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.581 -7.345 -1.497 1.00 0.00 H new ATOM 345 N THR A 26 -3.068 -7.863 4.417 1.00 0.00 N ATOM 346 CA THR A 26 -4.362 -8.284 4.939 1.00 0.00 C ATOM 347 C THR A 26 -5.502 -7.570 4.223 1.00 0.00 C ATOM 348 O THR A 26 -6.594 -8.119 4.073 1.00 0.00 O ATOM 349 CB THR A 26 -4.472 -8.015 6.452 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.783 -8.356 6.916 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.184 -6.554 6.764 1.00 0.00 C ATOM 0 H THR A 26 -2.390 -7.600 5.132 1.00 0.00 H new ATOM 0 HA THR A 26 -4.441 -9.357 4.762 1.00 0.00 H new ATOM 0 HB THR A 26 -3.733 -8.633 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.844 -8.184 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.268 -6.388 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.175 -6.304 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.903 -5.922 6.242 1.00 0.00 H new ATOM 359 N ASP A 27 -5.242 -6.344 3.782 1.00 0.00 N ATOM 360 CA ASP A 27 -6.247 -5.555 3.079 1.00 0.00 C ATOM 361 C ASP A 27 -5.665 -4.938 1.812 1.00 0.00 C ATOM 362 O ASP A 27 -5.433 -3.731 1.746 1.00 0.00 O ATOM 363 CB ASP A 27 -6.792 -4.455 3.992 1.00 0.00 C ATOM 364 CG ASP A 27 -8.187 -4.011 3.595 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.965 -4.861 3.111 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.500 -2.815 3.768 1.00 0.00 O ATOM 0 H ASP A 27 -4.344 -5.875 3.899 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.063 -6.220 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.808 -4.815 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.119 -3.598 3.965 1.00 0.00 H new ATOM 371 N ALA A 28 -5.429 -5.775 0.807 1.00 0.00 N ATOM 372 CA ALA A 28 -4.876 -5.312 -0.459 1.00 0.00 C ATOM 373 C ALA A 28 -5.593 -4.058 -0.947 1.00 0.00 C ATOM 374 O ALA A 28 -6.751 -4.114 -1.359 1.00 0.00 O ATOM 375 CB ALA A 28 -4.961 -6.413 -1.506 1.00 0.00 C ATOM 0 H ALA A 28 -5.612 -6.778 0.846 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.828 -5.059 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.544 -6.053 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.396 -7.281 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.004 -6.694 -1.655 1.00 0.00 H new ATOM 381 N VAL A 29 -4.898 -2.926 -0.896 1.00 0.00 N ATOM 382 CA VAL A 29 -5.468 -1.657 -1.333 1.00 0.00 C ATOM 383 C VAL A 29 -4.745 -1.125 -2.565 1.00 0.00 C ATOM 384 O VAL A 29 -3.552 -0.826 -2.516 1.00 0.00 O ATOM 385 CB VAL A 29 -5.404 -0.599 -0.216 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.206 -1.051 0.995 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.959 -0.316 0.168 1.00 0.00 C ATOM 0 H VAL A 29 -3.938 -2.862 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.512 -1.848 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.845 0.325 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.149 -0.290 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.247 -1.199 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.798 -1.988 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.933 0.434 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.490 -1.234 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.417 0.055 -0.702 1.00 0.00 H new ATOM 397 N VAL A 30 -5.476 -1.009 -3.669 1.00 0.00 N ATOM 398 CA VAL A 30 -4.905 -0.511 -4.915 1.00 0.00 C ATOM 399 C VAL A 30 -5.044 1.004 -5.016 1.00 0.00 C ATOM 400 O VAL A 30 -6.066 1.570 -4.628 1.00 0.00 O ATOM 401 CB VAL A 30 -5.578 -1.160 -6.139 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.020 -0.574 -7.428 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.397 -2.670 -6.108 1.00 0.00 C ATOM 0 H VAL A 30 -6.465 -1.253 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.848 -0.776 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.646 -0.944 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.507 -1.044 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.206 0.500 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.947 -0.757 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.879 -3.112 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.334 -2.909 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.849 -3.072 -5.201 1.00 0.00 H new ATOM 413 N ILE A 31 -4.010 1.654 -5.539 1.00 0.00 N ATOM 414 CA ILE A 31 -4.017 3.104 -5.692 1.00 0.00 C ATOM 415 C ILE A 31 -4.368 3.503 -7.121 1.00 0.00 C ATOM 416 O ILE A 31 -3.878 2.926 -8.091 1.00 0.00 O ATOM 417 CB ILE A 31 -2.653 3.716 -5.320 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.837 5.139 -4.790 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.724 3.708 -6.524 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.579 5.728 -4.192 1.00 0.00 C ATOM 0 H ILE A 31 -3.157 1.200 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.776 3.490 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.201 3.112 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.178 5.780 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.623 5.138 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.764 4.143 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.573 2.682 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.168 4.293 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.783 6.738 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.249 5.110 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.797 5.761 -4.950 1.00 0.00 H new ATOM 432 N PRO A 32 -5.237 4.516 -7.255 1.00 0.00 N ATOM 433 CA PRO A 32 -5.672 5.018 -8.561 1.00 0.00 C ATOM 434 C PRO A 32 -4.557 5.747 -9.303 1.00 0.00 C ATOM 435 O PRO A 32 -4.283 5.462 -10.469 1.00 0.00 O ATOM 436 CB PRO A 32 -6.803 5.988 -8.210 1.00 0.00 C ATOM 437 CG PRO A 32 -6.507 6.427 -6.819 1.00 0.00 C ATOM 438 CD PRO A 32 -5.861 5.251 -6.142 1.00 0.00 C ATOM 0 HA PRO A 32 -5.976 4.210 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.826 6.835 -8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.776 5.501 -8.273 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.844 7.292 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.419 6.723 -6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.122 5.567 -5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.593 4.638 -5.616 1.00 0.00 H new ATOM 446 N CYS A 33 -3.915 6.688 -8.619 1.00 0.00 N ATOM 447 CA CYS A 33 -2.828 7.459 -9.213 1.00 0.00 C ATOM 448 C CYS A 33 -2.079 6.630 -10.253 1.00 0.00 C ATOM 449 O CYS A 33 -1.703 7.135 -11.311 1.00 0.00 O ATOM 450 CB CYS A 33 -1.859 7.932 -8.128 1.00 0.00 C ATOM 451 SG CYS A 33 -1.261 6.604 -7.034 1.00 0.00 S ATOM 0 H CYS A 33 -4.128 6.935 -7.653 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.260 8.328 -9.709 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.002 8.409 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.352 8.693 -7.522 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.648 5.702 -7.742 1.00 0.00 H new ATOM 456 N CYS A 34 -1.866 5.356 -9.944 1.00 0.00 N ATOM 457 CA CYS A 34 -1.162 4.456 -10.851 1.00 0.00 C ATOM 458 C CYS A 34 -1.886 3.117 -10.959 1.00 0.00 C ATOM 459 O CYS A 34 -2.359 2.741 -12.030 1.00 0.00 O ATOM 460 CB CYS A 34 0.273 4.235 -10.370 1.00 0.00 C ATOM 461 SG CYS A 34 0.420 3.929 -8.580 1.00 0.00 S ATOM 0 H CYS A 34 -2.171 4.923 -9.072 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.141 4.918 -11.838 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.699 3.388 -10.908 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.870 5.110 -10.628 1.00 0.00 H new ATOM 0 HG CYS A 34 1.170 4.845 -8.043 1.00 0.00 H new ATOM 466 N GLY A 35 -1.967 2.402 -9.841 1.00 0.00 N ATOM 467 CA GLY A 35 -2.635 1.114 -9.831 1.00 0.00 C ATOM 468 C GLY A 35 -1.775 0.020 -9.229 1.00 0.00 C ATOM 469 O GLY A 35 -1.398 -0.929 -9.914 1.00 0.00 O ATOM 0 H GLY A 35 -1.582 2.692 -8.942 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.564 1.194 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.905 0.840 -10.851 1.00 0.00 H new ATOM 473 N ASN A 36 -1.462 0.155 -7.944 1.00 0.00 N ATOM 474 CA ASN A 36 -0.639 -0.830 -7.251 1.00 0.00 C ATOM 475 C ASN A 36 -1.198 -1.126 -5.863 1.00 0.00 C ATOM 476 O ASN A 36 -1.735 -0.241 -5.197 1.00 0.00 O ATOM 477 CB ASN A 36 0.802 -0.329 -7.136 1.00 0.00 C ATOM 478 CG ASN A 36 1.339 0.197 -8.454 1.00 0.00 C ATOM 479 OD1 ASN A 36 0.795 -0.096 -9.519 1.00 0.00 O ATOM 480 ND2 ASN A 36 2.412 0.977 -8.387 1.00 0.00 N ATOM 0 H ASN A 36 -1.765 0.936 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.652 -1.752 -7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.850 0.461 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.439 -1.141 -6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.818 1.360 -9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.830 1.193 -7.482 1.00 0.00 H new ATOM 487 N SER A 37 -1.068 -2.377 -5.432 1.00 0.00 N ATOM 488 CA SER A 37 -1.563 -2.792 -4.126 1.00 0.00 C ATOM 489 C SER A 37 -0.456 -2.720 -3.078 1.00 0.00 C ATOM 490 O SER A 37 0.707 -3.000 -3.367 1.00 0.00 O ATOM 491 CB SER A 37 -2.122 -4.214 -4.196 1.00 0.00 C ATOM 492 OG SER A 37 -2.511 -4.673 -2.912 1.00 0.00 O ATOM 0 H SER A 37 -0.623 -3.121 -5.970 1.00 0.00 H new ATOM 0 HA SER A 37 -2.362 -2.110 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.979 -4.239 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.370 -4.884 -4.613 1.00 0.00 H new ATOM 0 HG SER A 37 -3.307 -4.183 -2.617 1.00 0.00 H new ATOM 498 N TYR A 38 -0.828 -2.341 -1.859 1.00 0.00 N ATOM 499 CA TYR A 38 0.133 -2.230 -0.769 1.00 0.00 C ATOM 500 C TYR A 38 -0.519 -2.570 0.568 1.00 0.00 C ATOM 501 O TYR A 38 -1.744 -2.586 0.689 1.00 0.00 O ATOM 502 CB TYR A 38 0.717 -0.816 -0.717 1.00 0.00 C ATOM 503 CG TYR A 38 1.412 -0.403 -1.995 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.670 -0.896 -2.317 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.809 0.482 -2.881 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.308 -0.520 -3.483 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.440 0.864 -4.050 1.00 0.00 C ATOM 508 CZ TYR A 38 2.689 0.359 -4.346 1.00 0.00 C ATOM 509 OH TYR A 38 3.321 0.736 -5.509 1.00 0.00 O ATOM 0 H TYR A 38 -1.787 -2.106 -1.602 1.00 0.00 H new ATOM 0 HA TYR A 38 0.937 -2.942 -0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.084 -0.108 -0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.426 -0.754 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.158 -1.585 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.169 0.878 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.286 -0.913 -3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.958 1.554 -4.727 1.00 0.00 H new ATOM 0 HH TYR A 38 3.901 0.008 -5.817 1.00 0.00 H new ATOM 519 N CYS A 39 0.309 -2.843 1.571 1.00 0.00 N ATOM 520 CA CYS A 39 -0.183 -3.184 2.900 1.00 0.00 C ATOM 521 C CYS A 39 -1.041 -2.057 3.467 1.00 0.00 C ATOM 522 O CYS A 39 -0.666 -0.886 3.402 1.00 0.00 O ATOM 523 CB CYS A 39 0.987 -3.475 3.841 1.00 0.00 C ATOM 524 SG CYS A 39 2.035 -4.870 3.317 1.00 0.00 S ATOM 0 H CYS A 39 1.326 -2.835 1.488 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.800 -4.078 2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.605 -2.581 3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.595 -3.683 4.837 1.00 0.00 H new ATOM 0 HG CYS A 39 2.770 -4.506 2.309 1.00 0.00 H new ATOM 529 N ASP A 40 -2.190 -2.418 4.026 1.00 0.00 N ATOM 530 CA ASP A 40 -3.100 -1.438 4.608 1.00 0.00 C ATOM 531 C ASP A 40 -2.327 -0.360 5.361 1.00 0.00 C ATOM 532 O ASP A 40 -2.801 0.766 5.509 1.00 0.00 O ATOM 533 CB ASP A 40 -4.090 -2.125 5.549 1.00 0.00 C ATOM 534 CG ASP A 40 -3.583 -2.192 6.976 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.482 -1.126 7.620 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.287 -3.309 7.449 1.00 0.00 O ATOM 0 H ASP A 40 -2.514 -3.383 4.089 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.652 -0.964 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.038 -1.588 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.288 -3.135 5.189 1.00 0.00 H new ATOM 541 N GLU A 41 -1.137 -0.714 5.835 1.00 0.00 N ATOM 542 CA GLU A 41 -0.300 0.224 6.574 1.00 0.00 C ATOM 543 C GLU A 41 0.720 0.886 5.653 1.00 0.00 C ATOM 544 O GLU A 41 0.838 2.112 5.618 1.00 0.00 O ATOM 545 CB GLU A 41 0.419 -0.493 7.719 1.00 0.00 C ATOM 546 CG GLU A 41 0.964 0.448 8.780 1.00 0.00 C ATOM 547 CD GLU A 41 -0.103 0.908 9.754 1.00 0.00 C ATOM 548 OE1 GLU A 41 -1.296 0.881 9.387 1.00 0.00 O ATOM 549 OE2 GLU A 41 0.256 1.295 10.887 1.00 0.00 O ATOM 0 H GLU A 41 -0.731 -1.643 5.721 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.945 0.999 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.271 -1.194 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.241 -1.080 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.761 -0.053 9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.408 1.318 8.296 1.00 0.00 H new ATOM 556 N CYS A 42 1.456 0.068 4.909 1.00 0.00 N ATOM 557 CA CYS A 42 2.467 0.572 3.988 1.00 0.00 C ATOM 558 C CYS A 42 2.006 1.870 3.330 1.00 0.00 C ATOM 559 O CYS A 42 2.540 2.943 3.609 1.00 0.00 O ATOM 560 CB CYS A 42 2.778 -0.475 2.916 1.00 0.00 C ATOM 561 SG CYS A 42 4.067 -1.669 3.394 1.00 0.00 S ATOM 0 H CYS A 42 1.371 -0.948 4.926 1.00 0.00 H new ATOM 0 HA CYS A 42 3.373 0.777 4.559 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.864 -1.019 2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.090 0.035 2.005 1.00 0.00 H new ATOM 0 HG CYS A 42 3.569 -2.870 3.389 1.00 0.00 H new ATOM 566 N ILE A 43 1.009 1.761 2.457 1.00 0.00 N ATOM 567 CA ILE A 43 0.475 2.924 1.760 1.00 0.00 C ATOM 568 C ILE A 43 -0.001 3.985 2.747 1.00 0.00 C ATOM 569 O ILE A 43 0.027 5.180 2.452 1.00 0.00 O ATOM 570 CB ILE A 43 -0.694 2.539 0.835 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.162 3.756 0.034 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.842 1.957 1.646 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.115 4.294 -0.916 1.00 0.00 C ATOM 0 H ILE A 43 0.556 0.880 2.216 1.00 0.00 H new ATOM 0 HA ILE A 43 1.287 3.330 1.156 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.348 1.779 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.052 3.486 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.453 4.546 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.661 1.690 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.500 1.067 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.189 2.696 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.516 5.155 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.768 4.596 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.159 3.519 -1.632 1.00 0.00 H new ATOM 585 N ARG A 44 -0.437 3.540 3.921 1.00 0.00 N ATOM 586 CA ARG A 44 -0.918 4.450 4.953 1.00 0.00 C ATOM 587 C ARG A 44 0.195 5.387 5.414 1.00 0.00 C ATOM 588 O ARG A 44 0.024 6.606 5.443 1.00 0.00 O ATOM 589 CB ARG A 44 -1.464 3.662 6.145 1.00 0.00 C ATOM 590 CG ARG A 44 -2.577 4.380 6.890 1.00 0.00 C ATOM 591 CD ARG A 44 -3.857 4.425 6.071 1.00 0.00 C ATOM 592 NE ARG A 44 -4.612 3.179 6.164 1.00 0.00 N ATOM 593 CZ ARG A 44 -5.366 2.702 5.181 1.00 0.00 C ATOM 594 NH1 ARG A 44 -5.465 3.362 4.036 1.00 0.00 N ATOM 595 NH2 ARG A 44 -6.023 1.561 5.342 1.00 0.00 N ATOM 0 H ARG A 44 -0.467 2.554 4.181 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.721 5.051 4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.835 2.699 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.648 3.456 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.767 3.875 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.261 5.395 7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.478 5.252 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.612 4.623 5.027 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.557 2.646 7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.961 4.239 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.045 2.992 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.949 1.050 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.602 1.195 4.586 1.00 0.00 H new ATOM 609 N THR A 45 1.336 4.808 5.776 1.00 0.00 N ATOM 610 CA THR A 45 2.476 5.589 6.238 1.00 0.00 C ATOM 611 C THR A 45 3.191 6.261 5.071 1.00 0.00 C ATOM 612 O THR A 45 3.488 7.454 5.118 1.00 0.00 O ATOM 613 CB THR A 45 3.483 4.713 7.007 1.00 0.00 C ATOM 614 OG1 THR A 45 2.812 3.995 8.049 1.00 0.00 O ATOM 615 CG2 THR A 45 4.595 5.562 7.603 1.00 0.00 C ATOM 0 H THR A 45 1.495 3.801 5.758 1.00 0.00 H new ATOM 0 HA THR A 45 2.084 6.353 6.909 1.00 0.00 H new ATOM 0 HB THR A 45 3.925 4.005 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.459 3.439 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.293 4.921 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.122 6.084 6.804 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.167 6.291 8.291 1.00 0.00 H new ATOM 623 N ALA A 46 3.466 5.487 4.026 1.00 0.00 N ATOM 624 CA ALA A 46 4.144 6.008 2.846 1.00 0.00 C ATOM 625 C ALA A 46 3.748 7.457 2.581 1.00 0.00 C ATOM 626 O ALA A 46 4.585 8.283 2.216 1.00 0.00 O ATOM 627 CB ALA A 46 3.832 5.144 1.633 1.00 0.00 C ATOM 0 H ALA A 46 3.229 4.496 3.973 1.00 0.00 H new ATOM 0 HA ALA A 46 5.218 5.980 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.345 5.545 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.170 4.124 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.757 5.143 1.454 1.00 0.00 H new ATOM 633 N LEU A 47 2.468 7.760 2.767 1.00 0.00 N ATOM 634 CA LEU A 47 1.961 9.110 2.547 1.00 0.00 C ATOM 635 C LEU A 47 2.371 10.037 3.687 1.00 0.00 C ATOM 636 O LEU A 47 2.828 11.158 3.456 1.00 0.00 O ATOM 637 CB LEU A 47 0.437 9.089 2.416 1.00 0.00 C ATOM 638 CG LEU A 47 -0.127 8.240 1.276 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.634 8.093 1.414 1.00 0.00 C ATOM 640 CD2 LEU A 47 0.231 8.851 -0.071 1.00 0.00 C ATOM 0 H LEU A 47 1.762 7.089 3.070 1.00 0.00 H new ATOM 0 HA LEU A 47 2.394 9.488 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.017 8.727 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.089 10.114 2.285 1.00 0.00 H new ATOM 0 HG LEU A 47 0.320 7.247 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.017 7.486 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.867 7.610 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.100 9.078 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.178 8.234 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.187 9.855 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.315 8.902 -0.171 1.00 0.00 H new ATOM 652 N LEU A 48 2.206 9.564 4.917 1.00 0.00 N ATOM 653 CA LEU A 48 2.563 10.350 6.093 1.00 0.00 C ATOM 654 C LEU A 48 4.060 10.642 6.121 1.00 0.00 C ATOM 655 O LEU A 48 4.474 11.799 6.175 1.00 0.00 O ATOM 656 CB LEU A 48 2.151 9.611 7.368 1.00 0.00 C ATOM 657 CG LEU A 48 0.728 9.053 7.391 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.519 8.175 8.616 1.00 0.00 C ATOM 659 CD2 LEU A 48 -0.288 10.184 7.364 1.00 0.00 C ATOM 0 H LEU A 48 1.827 8.640 5.126 1.00 0.00 H new ATOM 0 HA LEU A 48 2.029 11.299 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.846 8.786 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.267 10.291 8.212 1.00 0.00 H new ATOM 0 HG LEU A 48 0.584 8.440 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.499 7.787 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.224 7.344 8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.682 8.764 9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.296 9.768 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.144 10.823 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.153 10.772 6.456 1.00 0.00 H new ATOM 671 N GLU A 49 4.864 9.584 6.081 1.00 0.00 N ATOM 672 CA GLU A 49 6.315 9.728 6.101 1.00 0.00 C ATOM 673 C GLU A 49 6.744 11.018 5.405 1.00 0.00 C ATOM 674 O GLU A 49 7.635 11.723 5.876 1.00 0.00 O ATOM 675 CB GLU A 49 6.978 8.527 5.425 1.00 0.00 C ATOM 676 CG GLU A 49 8.335 8.171 6.010 1.00 0.00 C ATOM 677 CD GLU A 49 9.477 8.880 5.309 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.778 8.520 4.152 1.00 0.00 O ATOM 679 OE2 GLU A 49 10.069 9.794 5.918 1.00 0.00 O ATOM 0 H GLU A 49 4.536 8.619 6.035 1.00 0.00 H new ATOM 0 HA GLU A 49 6.635 9.773 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.318 7.664 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.094 8.738 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.348 8.428 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.485 7.093 5.941 1.00 0.00 H new ATOM 686 N SER A 50 6.101 11.318 4.280 1.00 0.00 N ATOM 687 CA SER A 50 6.418 12.518 3.517 1.00 0.00 C ATOM 688 C SER A 50 5.200 13.433 3.413 1.00 0.00 C ATOM 689 O SER A 50 4.202 13.086 2.780 1.00 0.00 O ATOM 690 CB SER A 50 6.910 12.144 2.118 1.00 0.00 C ATOM 691 OG SER A 50 7.831 13.102 1.626 1.00 0.00 O ATOM 0 H SER A 50 5.358 10.746 3.878 1.00 0.00 H new ATOM 0 HA SER A 50 7.210 13.053 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.383 11.162 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.061 12.070 1.439 1.00 0.00 H new ATOM 0 HG SER A 50 8.467 12.664 1.023 1.00 0.00 H new ATOM 697 N ASP A 51 5.291 14.601 4.037 1.00 0.00 N ATOM 698 CA ASP A 51 4.199 15.567 4.015 1.00 0.00 C ATOM 699 C ASP A 51 3.719 15.813 2.587 1.00 0.00 C ATOM 700 O ASP A 51 2.544 16.092 2.357 1.00 0.00 O ATOM 701 CB ASP A 51 4.641 16.885 4.651 1.00 0.00 C ATOM 702 CG ASP A 51 4.659 16.820 6.166 1.00 0.00 C ATOM 703 OD1 ASP A 51 5.148 15.807 6.710 1.00 0.00 O ATOM 704 OD2 ASP A 51 4.184 17.780 6.806 1.00 0.00 O ATOM 0 H ASP A 51 6.110 14.903 4.565 1.00 0.00 H new ATOM 0 HA ASP A 51 3.371 15.154 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.636 17.144 4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.969 17.682 4.332 1.00 0.00 H new ATOM 709 N GLU A 52 4.639 15.708 1.633 1.00 0.00 N ATOM 710 CA GLU A 52 4.311 15.922 0.229 1.00 0.00 C ATOM 711 C GLU A 52 3.263 14.917 -0.243 1.00 0.00 C ATOM 712 O GLU A 52 2.468 15.206 -1.138 1.00 0.00 O ATOM 713 CB GLU A 52 5.568 15.807 -0.636 1.00 0.00 C ATOM 714 CG GLU A 52 6.249 14.452 -0.543 1.00 0.00 C ATOM 715 CD GLU A 52 7.715 14.509 -0.929 1.00 0.00 C ATOM 716 OE1 GLU A 52 8.515 15.063 -0.146 1.00 0.00 O ATOM 717 OE2 GLU A 52 8.062 13.998 -2.015 1.00 0.00 O ATOM 0 H GLU A 52 5.617 15.476 1.807 1.00 0.00 H new ATOM 0 HA GLU A 52 3.900 16.926 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.302 16.000 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.276 16.581 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.160 14.074 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.733 13.745 -1.192 1.00 0.00 H new ATOM 724 N HIS A 53 3.270 13.735 0.364 1.00 0.00 N ATOM 725 CA HIS A 53 2.320 12.686 0.006 1.00 0.00 C ATOM 726 C HIS A 53 2.533 12.229 -1.433 1.00 0.00 C ATOM 727 O HIS A 53 1.576 12.044 -2.186 1.00 0.00 O ATOM 728 CB HIS A 53 0.887 13.184 0.189 1.00 0.00 C ATOM 729 CG HIS A 53 0.350 12.974 1.571 1.00 0.00 C ATOM 730 ND1 HIS A 53 -0.920 12.500 1.823 1.00 0.00 N ATOM 731 CD2 HIS A 53 0.921 13.175 2.782 1.00 0.00 C ATOM 732 CE1 HIS A 53 -1.107 12.420 3.128 1.00 0.00 C ATOM 733 NE2 HIS A 53 -0.005 12.824 3.733 1.00 0.00 N ATOM 0 H HIS A 53 3.922 13.479 1.105 1.00 0.00 H new ATOM 0 HA HIS A 53 2.488 11.836 0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.848 14.247 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.240 12.673 -0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.920 13.543 2.966 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.008 12.082 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.135 12.868 4.742 1.00 0.00 H new ATOM 741 N THR A 54 3.795 12.046 -1.811 1.00 0.00 N ATOM 742 CA THR A 54 4.134 11.612 -3.160 1.00 0.00 C ATOM 743 C THR A 54 4.207 10.092 -3.246 1.00 0.00 C ATOM 744 O THR A 54 4.802 9.439 -2.388 1.00 0.00 O ATOM 745 CB THR A 54 5.477 12.206 -3.621 1.00 0.00 C ATOM 746 OG1 THR A 54 5.408 13.637 -3.618 1.00 0.00 O ATOM 747 CG2 THR A 54 5.839 11.714 -5.014 1.00 0.00 C ATOM 0 H THR A 54 4.599 12.192 -1.201 1.00 0.00 H new ATOM 0 HA THR A 54 3.342 11.973 -3.816 1.00 0.00 H new ATOM 0 HB THR A 54 6.250 11.878 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.267 14.007 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.792 12.148 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.921 10.627 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.063 12.014 -5.719 1.00 0.00 H new ATOM 755 N CYS A 55 3.601 9.532 -4.288 1.00 0.00 N ATOM 756 CA CYS A 55 3.597 8.088 -4.488 1.00 0.00 C ATOM 757 C CYS A 55 5.017 7.563 -4.679 1.00 0.00 C ATOM 758 O CYS A 55 5.807 8.105 -5.453 1.00 0.00 O ATOM 759 CB CYS A 55 2.737 7.722 -5.698 1.00 0.00 C ATOM 760 SG CYS A 55 2.326 5.950 -5.808 1.00 0.00 S ATOM 0 H CYS A 55 3.106 10.058 -5.008 1.00 0.00 H new ATOM 0 HA CYS A 55 3.173 7.623 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.812 8.297 -5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.261 8.020 -6.606 1.00 0.00 H new ATOM 0 HG CYS A 55 1.100 5.814 -6.219 1.00 0.00 H new ATOM 765 N PRO A 56 5.350 6.480 -3.960 1.00 0.00 N ATOM 766 CA PRO A 56 6.674 5.857 -4.035 1.00 0.00 C ATOM 767 C PRO A 56 6.913 5.163 -5.372 1.00 0.00 C ATOM 768 O PRO A 56 7.957 4.544 -5.583 1.00 0.00 O ATOM 769 CB PRO A 56 6.650 4.834 -2.897 1.00 0.00 C ATOM 770 CG PRO A 56 5.206 4.517 -2.705 1.00 0.00 C ATOM 771 CD PRO A 56 4.459 5.782 -3.018 1.00 0.00 C ATOM 0 HA PRO A 56 7.475 6.591 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.221 3.942 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.090 5.243 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.894 3.706 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.011 4.191 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.486 5.574 -3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.279 6.375 -2.121 1.00 0.00 H new ATOM 779 N THR A 57 5.941 5.270 -6.271 1.00 0.00 N ATOM 780 CA THR A 57 6.045 4.652 -7.586 1.00 0.00 C ATOM 781 C THR A 57 5.876 5.685 -8.695 1.00 0.00 C ATOM 782 O THR A 57 6.806 5.952 -9.456 1.00 0.00 O ATOM 783 CB THR A 57 4.994 3.542 -7.771 1.00 0.00 C ATOM 784 OG1 THR A 57 5.171 2.529 -6.774 1.00 0.00 O ATOM 785 CG2 THR A 57 5.100 2.921 -9.156 1.00 0.00 C ATOM 0 H THR A 57 5.072 5.779 -6.112 1.00 0.00 H new ATOM 0 HA THR A 57 7.041 4.214 -7.650 1.00 0.00 H new ATOM 0 HB THR A 57 4.005 3.988 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.303 2.132 -6.553 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.348 2.140 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.936 3.689 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.092 2.489 -9.286 1.00 0.00 H new ATOM 793 N CYS A 58 4.684 6.266 -8.779 1.00 0.00 N ATOM 794 CA CYS A 58 4.392 7.271 -9.794 1.00 0.00 C ATOM 795 C CYS A 58 4.599 8.678 -9.241 1.00 0.00 C ATOM 796 O CYS A 58 4.727 8.869 -8.031 1.00 0.00 O ATOM 797 CB CYS A 58 2.955 7.115 -10.297 1.00 0.00 C ATOM 798 SG CYS A 58 1.688 7.648 -9.104 1.00 0.00 S ATOM 0 H CYS A 58 3.904 6.058 -8.156 1.00 0.00 H new ATOM 0 HA CYS A 58 5.080 7.122 -10.626 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.839 7.690 -11.216 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.782 6.069 -10.552 1.00 0.00 H new ATOM 0 HG CYS A 58 1.806 6.958 -8.009 1.00 0.00 H new ATOM 803 N HIS A 59 4.632 9.660 -10.136 1.00 0.00 N ATOM 804 CA HIS A 59 4.823 11.050 -9.738 1.00 0.00 C ATOM 805 C HIS A 59 3.492 11.696 -9.365 1.00 0.00 C ATOM 806 O HIS A 59 2.863 12.361 -10.188 1.00 0.00 O ATOM 807 CB HIS A 59 5.487 11.839 -10.867 1.00 0.00 C ATOM 808 CG HIS A 59 6.973 11.655 -10.934 1.00 0.00 C ATOM 809 ND1 HIS A 59 7.595 10.902 -11.907 1.00 0.00 N ATOM 810 CD2 HIS A 59 7.960 12.132 -10.141 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.900 10.922 -11.709 1.00 0.00 C ATOM 812 NE2 HIS A 59 9.149 11.662 -10.644 1.00 0.00 N ATOM 0 H HIS A 59 4.529 9.519 -11.141 1.00 0.00 H new ATOM 0 HA HIS A 59 5.473 11.066 -8.863 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.048 11.536 -11.818 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.266 12.898 -10.738 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.836 12.764 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.639 10.419 -12.315 1.00 0.00 H new ATOM 0 HE2 HIS A 59 10.073 11.853 -10.258 1.00 0.00 H new ATOM 820 N GLN A 60 3.070 11.495 -8.122 1.00 0.00 N ATOM 821 CA GLN A 60 1.813 12.057 -7.641 1.00 0.00 C ATOM 822 C GLN A 60 2.067 13.168 -6.627 1.00 0.00 C ATOM 823 O GLN A 60 3.172 13.307 -6.106 1.00 0.00 O ATOM 824 CB GLN A 60 0.949 10.964 -7.011 1.00 0.00 C ATOM 825 CG GLN A 60 -0.543 11.184 -7.199 1.00 0.00 C ATOM 826 CD GLN A 60 -1.135 12.101 -6.147 1.00 0.00 C ATOM 827 OE1 GLN A 60 -0.603 12.223 -5.044 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.242 12.753 -6.486 1.00 0.00 N ATOM 0 H GLN A 60 3.580 10.947 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 60 1.284 12.482 -8.494 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.223 10.002 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.168 10.909 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.722 11.608 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.055 10.222 -7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.648 12.621 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.686 13.386 -5.820 1.00 0.00 H new ATOM 837 N ASN A 61 1.034 13.959 -6.354 1.00 0.00 N ATOM 838 CA ASN A 61 1.144 15.059 -5.403 1.00 0.00 C ATOM 839 C ASN A 61 0.432 14.723 -4.096 1.00 0.00 C ATOM 840 O ASN A 61 1.053 14.665 -3.035 1.00 0.00 O ATOM 841 CB ASN A 61 0.557 16.339 -6.001 1.00 0.00 C ATOM 842 CG ASN A 61 0.680 16.380 -7.513 1.00 0.00 C ATOM 843 OD1 ASN A 61 1.648 16.913 -8.054 1.00 0.00 O ATOM 844 ND2 ASN A 61 -0.305 15.814 -8.200 1.00 0.00 N ATOM 0 H ASN A 61 0.112 13.859 -6.778 1.00 0.00 H new ATOM 0 HA ASN A 61 2.201 15.216 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.494 16.418 -5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.066 17.203 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.279 15.809 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.088 15.384 -7.708 1.00 0.00 H new ATOM 851 N ASP A 62 -0.875 14.501 -4.181 1.00 0.00 N ATOM 852 CA ASP A 62 -1.672 14.168 -3.007 1.00 0.00 C ATOM 853 C ASP A 62 -2.711 13.101 -3.339 1.00 0.00 C ATOM 854 O ASP A 62 -3.515 13.267 -4.255 1.00 0.00 O ATOM 855 CB ASP A 62 -2.365 15.419 -2.463 1.00 0.00 C ATOM 856 CG ASP A 62 -3.338 15.103 -1.344 1.00 0.00 C ATOM 857 OD1 ASP A 62 -4.411 14.534 -1.634 1.00 0.00 O ATOM 858 OD2 ASP A 62 -3.026 15.424 -0.179 1.00 0.00 O ATOM 0 H ASP A 62 -1.405 14.546 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.001 13.772 -2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.612 16.118 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.897 15.917 -3.273 1.00 0.00 H new ATOM 863 N VAL A 63 -2.686 12.005 -2.588 1.00 0.00 N ATOM 864 CA VAL A 63 -3.624 10.910 -2.802 1.00 0.00 C ATOM 865 C VAL A 63 -4.549 10.735 -1.603 1.00 0.00 C ATOM 866 O VAL A 63 -4.098 10.708 -0.458 1.00 0.00 O ATOM 867 CB VAL A 63 -2.887 9.582 -3.065 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.882 8.444 -3.233 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.992 9.703 -4.289 1.00 0.00 C ATOM 0 H VAL A 63 -2.026 11.852 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.216 11.169 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.258 9.359 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.344 7.514 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.477 8.344 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.539 8.657 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.479 8.756 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.599 9.950 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.256 10.490 -4.125 1.00 0.00 H new ATOM 879 N SER A 64 -5.845 10.619 -1.874 1.00 0.00 N ATOM 880 CA SER A 64 -6.835 10.451 -0.818 1.00 0.00 C ATOM 881 C SER A 64 -6.837 9.017 -0.298 1.00 0.00 C ATOM 882 O SER A 64 -6.971 8.056 -1.055 1.00 0.00 O ATOM 883 CB SER A 64 -8.228 10.822 -1.330 1.00 0.00 C ATOM 884 OG SER A 64 -9.117 11.072 -0.256 1.00 0.00 O ATOM 0 H SER A 64 -6.234 10.638 -2.817 1.00 0.00 H new ATOM 0 HA SER A 64 -6.569 11.117 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.162 11.706 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.618 10.014 -1.949 1.00 0.00 H new ATOM 0 HG SER A 64 -10.000 11.308 -0.610 1.00 0.00 H new ATOM 890 N PRO A 65 -6.685 8.868 1.027 1.00 0.00 N ATOM 891 CA PRO A 65 -6.666 7.555 1.679 1.00 0.00 C ATOM 892 C PRO A 65 -8.033 6.880 1.662 1.00 0.00 C ATOM 893 O PRO A 65 -8.205 5.792 2.212 1.00 0.00 O ATOM 894 CB PRO A 65 -6.247 7.879 3.115 1.00 0.00 C ATOM 895 CG PRO A 65 -6.669 9.293 3.324 1.00 0.00 C ATOM 896 CD PRO A 65 -6.520 9.970 1.989 1.00 0.00 C ATOM 0 HA PRO A 65 -5.999 6.858 1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.731 7.212 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.172 7.763 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.700 9.345 3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.050 9.778 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.273 10.745 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.546 10.449 1.888 1.00 0.00 H new ATOM 904 N ASP A 66 -9.001 7.531 1.026 1.00 0.00 N ATOM 905 CA ASP A 66 -10.353 6.991 0.936 1.00 0.00 C ATOM 906 C ASP A 66 -10.568 6.284 -0.398 1.00 0.00 C ATOM 907 O ASP A 66 -11.172 5.214 -0.454 1.00 0.00 O ATOM 908 CB ASP A 66 -11.383 8.110 1.106 1.00 0.00 C ATOM 909 CG ASP A 66 -11.112 8.965 2.328 1.00 0.00 C ATOM 910 OD1 ASP A 66 -10.895 8.393 3.416 1.00 0.00 O ATOM 911 OD2 ASP A 66 -11.117 10.207 2.196 1.00 0.00 O ATOM 0 H ASP A 66 -8.875 8.432 0.566 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.482 6.263 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.380 8.741 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.379 7.674 1.185 1.00 0.00 H new ATOM 916 N ALA A 67 -10.071 6.891 -1.472 1.00 0.00 N ATOM 917 CA ALA A 67 -10.207 6.319 -2.805 1.00 0.00 C ATOM 918 C ALA A 67 -9.712 4.877 -2.837 1.00 0.00 C ATOM 919 O ALA A 67 -10.368 3.997 -3.395 1.00 0.00 O ATOM 920 CB ALA A 67 -9.450 7.162 -3.821 1.00 0.00 C ATOM 0 H ALA A 67 -9.570 7.779 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.265 6.318 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.560 6.723 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.853 8.175 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.394 7.193 -3.553 1.00 0.00 H new ATOM 926 N LEU A 68 -8.551 4.642 -2.235 1.00 0.00 N ATOM 927 CA LEU A 68 -7.966 3.305 -2.196 1.00 0.00 C ATOM 928 C LEU A 68 -9.049 2.242 -2.042 1.00 0.00 C ATOM 929 O LEU A 68 -10.116 2.504 -1.487 1.00 0.00 O ATOM 930 CB LEU A 68 -6.964 3.200 -1.045 1.00 0.00 C ATOM 931 CG LEU A 68 -5.878 4.276 -1.000 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.060 4.156 0.276 1.00 0.00 C ATOM 933 CD2 LEU A 68 -4.980 4.179 -2.224 1.00 0.00 C ATOM 0 H LEU A 68 -7.996 5.359 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.446 3.134 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.516 3.230 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.479 2.225 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.361 5.253 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.292 4.930 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.714 4.277 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.587 3.175 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.213 4.952 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.505 3.198 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.577 4.317 -3.125 1.00 0.00 H new ATOM 945 N SER A 69 -8.766 1.041 -2.534 1.00 0.00 N ATOM 946 CA SER A 69 -9.716 -0.062 -2.452 1.00 0.00 C ATOM 947 C SER A 69 -9.595 -0.785 -1.114 1.00 0.00 C ATOM 948 O SER A 69 -8.871 -1.774 -0.993 1.00 0.00 O ATOM 949 CB SER A 69 -9.486 -1.048 -3.600 1.00 0.00 C ATOM 950 OG SER A 69 -9.882 -0.486 -4.840 1.00 0.00 O ATOM 0 H SER A 69 -7.886 0.807 -2.994 1.00 0.00 H new ATOM 0 HA SER A 69 -10.722 0.351 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.432 -1.324 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.048 -1.964 -3.416 1.00 0.00 H new ATOM 0 HG SER A 69 -9.724 -1.134 -5.558 1.00 0.00 H new