USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=20 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 164:sc= 1.45 USER MOD Set 1.2: A 21 CYS SG : rot -31:sc= -0.857 USER MOD Set 1.3: A 39 CYS SG : rot 68:sc= 0.039 USER MOD Set 1.4: A 42 CYS SG : rot 119:sc= 0.678 USER MOD Set 2.1: A 33 CYS SG : rot 65:sc= -6.3! USER MOD Set 2.2: A 34 CYS SG : rot -170:sc= 0.168 USER MOD Set 2.3: A 36 ASN :FLIP amide:sc= -3.11! C(o=-13!,f=-11!) USER MOD Set 2.4: A 38 TYR OH : rot 180:sc= -0.219 USER MOD Set 2.5: A 55 CYS SG : rot 143:sc= -0.193 USER MOD Set 2.6: A 57 THR OG1 : rot 170:sc= 0.443 USER MOD Set 2.7: A 58 CYS SG : rot 29:sc= -1.38 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 150:sc= -0.0199 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -108:sc= 0.00939 USER MOD Single : A 53 HIS : no HE2:sc= -0.605 K(o=-0.61,f=-1.6) USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -1.23 F(o=-1.8!,f=-1.2) USER MOD Single : A 60 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.73) USER MOD Single : A 61 ASN : amide: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 USER MOD ----------------------------------------------------------------- ATOM 179 N LEU A 16 1.933 -11.505 -5.109 1.00 0.00 N ATOM 180 CA LEU A 16 1.109 -11.401 -3.909 1.00 0.00 C ATOM 181 C LEU A 16 1.844 -10.644 -2.808 1.00 0.00 C ATOM 182 O LEU A 16 1.500 -10.751 -1.631 1.00 0.00 O ATOM 183 CB LEU A 16 0.719 -12.795 -3.412 1.00 0.00 C ATOM 184 CG LEU A 16 -0.291 -13.556 -4.272 1.00 0.00 C ATOM 185 CD1 LEU A 16 -0.185 -15.051 -4.022 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.704 -13.065 -3.993 1.00 0.00 C ATOM 0 HA LEU A 16 0.206 -10.847 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.624 -13.397 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.310 -12.699 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.062 -13.367 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.911 -15.576 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.820 -15.391 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.387 -15.259 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.410 -13.617 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.943 -13.224 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.772 -12.002 -4.224 1.00 0.00 H new ATOM 198 N LEU A 17 2.856 -9.877 -3.198 1.00 0.00 N ATOM 199 CA LEU A 17 3.638 -9.099 -2.245 1.00 0.00 C ATOM 200 C LEU A 17 3.658 -7.624 -2.632 1.00 0.00 C ATOM 201 O LEU A 17 3.667 -7.281 -3.814 1.00 0.00 O ATOM 202 CB LEU A 17 5.069 -9.637 -2.169 1.00 0.00 C ATOM 203 CG LEU A 17 5.230 -11.029 -1.558 1.00 0.00 C ATOM 204 CD1 LEU A 17 6.690 -11.455 -1.577 1.00 0.00 C ATOM 205 CD2 LEU A 17 4.683 -11.056 -0.139 1.00 0.00 C ATOM 0 H LEU A 17 3.154 -9.777 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 17 3.168 -9.193 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.484 -9.654 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.669 -8.936 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 17 4.659 -11.736 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.785 -12.448 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.049 -11.477 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.284 -10.745 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.806 -12.055 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.226 -10.336 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.624 -10.796 -0.152 1.00 0.00 H new ATOM 217 N CYS A 18 3.668 -6.754 -1.627 1.00 0.00 N ATOM 218 CA CYS A 18 3.689 -5.316 -1.861 1.00 0.00 C ATOM 219 C CYS A 18 5.059 -4.864 -2.359 1.00 0.00 C ATOM 220 O CYS A 18 6.030 -5.620 -2.308 1.00 0.00 O ATOM 221 CB CYS A 18 3.328 -4.563 -0.578 1.00 0.00 C ATOM 222 SG CYS A 18 4.631 -4.595 0.693 1.00 0.00 S ATOM 0 H CYS A 18 3.662 -7.021 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 18 2.950 -5.089 -2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.105 -3.526 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.417 -4.993 -0.161 1.00 0.00 H new ATOM 0 HG CYS A 18 4.394 -3.675 1.581 1.00 0.00 H new ATOM 227 N LEU A 19 5.130 -3.629 -2.841 1.00 0.00 N ATOM 228 CA LEU A 19 6.381 -3.076 -3.349 1.00 0.00 C ATOM 229 C LEU A 19 7.025 -2.150 -2.321 1.00 0.00 C ATOM 230 O LEU A 19 7.668 -1.163 -2.677 1.00 0.00 O ATOM 231 CB LEU A 19 6.134 -2.316 -4.653 1.00 0.00 C ATOM 232 CG LEU A 19 5.294 -3.042 -5.704 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.879 -2.083 -6.809 1.00 0.00 C ATOM 234 CD2 LEU A 19 6.065 -4.221 -6.281 1.00 0.00 C ATOM 0 H LEU A 19 4.336 -2.991 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 19 7.063 -3.904 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.643 -1.373 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.099 -2.070 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 19 4.393 -3.423 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.282 -2.617 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.289 -1.271 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.768 -1.673 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.452 -4.726 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.983 -3.862 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.313 -4.920 -5.482 1.00 0.00 H new ATOM 246 N ILE A 20 6.847 -2.478 -1.045 1.00 0.00 N ATOM 247 CA ILE A 20 7.413 -1.677 0.034 1.00 0.00 C ATOM 248 C ILE A 20 8.133 -2.557 1.051 1.00 0.00 C ATOM 249 O ILE A 20 9.363 -2.593 1.097 1.00 0.00 O ATOM 250 CB ILE A 20 6.328 -0.860 0.757 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.818 0.265 -0.147 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.871 -0.293 2.060 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.533 0.897 0.340 1.00 0.00 C ATOM 0 H ILE A 20 6.316 -3.291 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 20 8.128 -0.992 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 20 5.493 -1.521 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.586 1.035 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.661 -0.130 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.091 0.282 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.190 -1.110 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.721 0.355 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.231 1.686 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.751 0.139 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.690 1.322 1.331 1.00 0.00 H new ATOM 265 N CYS A 21 7.359 -3.267 1.864 1.00 0.00 N ATOM 266 CA CYS A 21 7.921 -4.149 2.880 1.00 0.00 C ATOM 267 C CYS A 21 7.950 -5.594 2.391 1.00 0.00 C ATOM 268 O CYS A 21 8.336 -6.503 3.127 1.00 0.00 O ATOM 269 CB CYS A 21 7.109 -4.053 4.174 1.00 0.00 C ATOM 270 SG CYS A 21 5.515 -4.933 4.118 1.00 0.00 S ATOM 0 H CYS A 21 6.339 -3.249 1.839 1.00 0.00 H new ATOM 0 HA CYS A 21 8.945 -3.830 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.704 -4.453 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.924 -3.002 4.397 1.00 0.00 H new ATOM 0 HG CYS A 21 5.054 -4.919 2.903 1.00 0.00 H new ATOM 275 N LYS A 22 7.540 -5.799 1.144 1.00 0.00 N ATOM 276 CA LYS A 22 7.520 -7.133 0.554 1.00 0.00 C ATOM 277 C LYS A 22 6.899 -8.143 1.514 1.00 0.00 C ATOM 278 O LYS A 22 7.444 -9.226 1.726 1.00 0.00 O ATOM 279 CB LYS A 22 8.939 -7.570 0.184 1.00 0.00 C ATOM 280 CG LYS A 22 9.422 -7.008 -1.142 1.00 0.00 C ATOM 281 CD LYS A 22 9.723 -5.521 -1.041 1.00 0.00 C ATOM 282 CE LYS A 22 10.114 -4.939 -2.392 1.00 0.00 C ATOM 283 NZ LYS A 22 11.487 -5.348 -2.795 1.00 0.00 N ATOM 0 H LYS A 22 7.217 -5.058 0.522 1.00 0.00 H new ATOM 0 HA LYS A 22 6.911 -7.095 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.624 -7.258 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.976 -8.659 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.318 -7.541 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.664 -7.176 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.848 -4.997 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.530 -5.360 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.401 -5.266 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.057 -3.851 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.716 -4.931 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.171 -5.014 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.535 -6.385 -2.861 1.00 0.00 H new ATOM 297 N ASP A 23 5.758 -7.781 2.088 1.00 0.00 N ATOM 298 CA ASP A 23 5.061 -8.658 3.023 1.00 0.00 C ATOM 299 C ASP A 23 3.600 -8.828 2.621 1.00 0.00 C ATOM 300 O ASP A 23 2.957 -7.882 2.166 1.00 0.00 O ATOM 301 CB ASP A 23 5.151 -8.097 4.444 1.00 0.00 C ATOM 302 CG ASP A 23 4.940 -9.164 5.500 1.00 0.00 C ATOM 303 OD1 ASP A 23 3.776 -9.564 5.715 1.00 0.00 O ATOM 304 OD2 ASP A 23 5.937 -9.598 6.112 1.00 0.00 O ATOM 0 H ASP A 23 5.295 -6.887 1.923 1.00 0.00 H new ATOM 0 HA ASP A 23 5.542 -9.636 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.128 -7.635 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.405 -7.312 4.570 1.00 0.00 H new ATOM 309 N ILE A 24 3.082 -10.040 2.794 1.00 0.00 N ATOM 310 CA ILE A 24 1.696 -10.334 2.450 1.00 0.00 C ATOM 311 C ILE A 24 0.781 -9.169 2.811 1.00 0.00 C ATOM 312 O ILE A 24 0.810 -8.668 3.935 1.00 0.00 O ATOM 313 CB ILE A 24 1.197 -11.604 3.163 1.00 0.00 C ATOM 314 CG1 ILE A 24 2.044 -12.811 2.755 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.270 -11.849 2.844 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.937 -13.976 3.714 1.00 0.00 C ATOM 0 H ILE A 24 3.601 -10.833 3.170 1.00 0.00 H new ATOM 0 HA ILE A 24 1.666 -10.496 1.373 1.00 0.00 H new ATOM 0 HB ILE A 24 1.296 -11.461 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.739 -13.140 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.088 -12.505 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.608 -12.750 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.862 -10.998 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.392 -11.975 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.563 -14.796 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.270 -13.664 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.900 -14.309 3.768 1.00 0.00 H new ATOM 328 N MET A 25 -0.032 -8.742 1.850 1.00 0.00 N ATOM 329 CA MET A 25 -0.958 -7.637 2.068 1.00 0.00 C ATOM 330 C MET A 25 -2.300 -8.146 2.586 1.00 0.00 C ATOM 331 O MET A 25 -3.272 -8.242 1.838 1.00 0.00 O ATOM 332 CB MET A 25 -1.165 -6.854 0.770 1.00 0.00 C ATOM 333 CG MET A 25 0.130 -6.362 0.145 1.00 0.00 C ATOM 334 SD MET A 25 0.840 -7.551 -1.009 1.00 0.00 S ATOM 335 CE MET A 25 0.251 -6.902 -2.571 1.00 0.00 C ATOM 0 H MET A 25 -0.068 -9.144 0.913 1.00 0.00 H new ATOM 0 HA MET A 25 -0.525 -6.976 2.819 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.688 -7.487 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.810 -5.999 0.970 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.056 -5.423 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.852 -6.151 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.609 -7.532 -3.385 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.839 -6.891 -2.573 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.624 -5.887 -2.707 1.00 0.00 H new ATOM 345 N THR A 26 -2.345 -8.474 3.875 1.00 0.00 N ATOM 346 CA THR A 26 -3.566 -8.975 4.493 1.00 0.00 C ATOM 347 C THR A 26 -4.780 -8.169 4.045 1.00 0.00 C ATOM 348 O THR A 26 -5.867 -8.717 3.862 1.00 0.00 O ATOM 349 CB THR A 26 -3.475 -8.934 6.030 1.00 0.00 C ATOM 350 OG1 THR A 26 -4.698 -9.406 6.606 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.191 -7.521 6.517 1.00 0.00 C ATOM 0 H THR A 26 -1.550 -8.401 4.510 1.00 0.00 H new ATOM 0 HA THR A 26 -3.682 -10.010 4.171 1.00 0.00 H new ATOM 0 HB THR A 26 -2.655 -9.581 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.631 -9.378 7.583 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.131 -7.516 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.245 -7.176 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.993 -6.857 6.195 1.00 0.00 H new ATOM 359 N ASP A 27 -4.587 -6.867 3.869 1.00 0.00 N ATOM 360 CA ASP A 27 -5.667 -5.986 3.441 1.00 0.00 C ATOM 361 C ASP A 27 -5.249 -5.166 2.223 1.00 0.00 C ATOM 362 O ASP A 27 -5.508 -3.966 2.152 1.00 0.00 O ATOM 363 CB ASP A 27 -6.076 -5.053 4.583 1.00 0.00 C ATOM 364 CG ASP A 27 -6.842 -5.776 5.673 1.00 0.00 C ATOM 365 OD1 ASP A 27 -6.198 -6.281 6.615 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.086 -5.834 5.585 1.00 0.00 O ATOM 0 H ASP A 27 -3.693 -6.398 4.016 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.520 -6.605 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.184 -4.595 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.690 -4.245 4.186 1.00 0.00 H new ATOM 371 N ALA A 28 -4.599 -5.825 1.269 1.00 0.00 N ATOM 372 CA ALA A 28 -4.146 -5.158 0.055 1.00 0.00 C ATOM 373 C ALA A 28 -5.111 -4.051 -0.358 1.00 0.00 C ATOM 374 O ALA A 28 -6.327 -4.197 -0.234 1.00 0.00 O ATOM 375 CB ALA A 28 -3.984 -6.166 -1.073 1.00 0.00 C ATOM 0 H ALA A 28 -4.375 -6.819 1.314 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.178 -4.702 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.645 -5.653 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.250 -6.918 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.941 -6.649 -1.269 1.00 0.00 H new ATOM 381 N VAL A 29 -4.561 -2.944 -0.846 1.00 0.00 N ATOM 382 CA VAL A 29 -5.374 -1.813 -1.277 1.00 0.00 C ATOM 383 C VAL A 29 -4.858 -1.233 -2.588 1.00 0.00 C ATOM 384 O VAL A 29 -3.731 -0.743 -2.663 1.00 0.00 O ATOM 385 CB VAL A 29 -5.399 -0.701 -0.211 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.221 -1.134 0.994 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.982 -0.331 0.205 1.00 0.00 C ATOM 0 H VAL A 29 -3.556 -2.806 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.387 -2.189 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.870 0.182 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.227 -0.336 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.243 -1.345 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.782 -2.032 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.018 0.456 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.484 -1.208 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.429 0.024 -0.664 1.00 0.00 H new ATOM 397 N VAL A 30 -5.691 -1.290 -3.623 1.00 0.00 N ATOM 398 CA VAL A 30 -5.320 -0.769 -4.933 1.00 0.00 C ATOM 399 C VAL A 30 -5.438 0.751 -4.974 1.00 0.00 C ATOM 400 O VAL A 30 -6.502 1.307 -4.702 1.00 0.00 O ATOM 401 CB VAL A 30 -6.198 -1.372 -6.045 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.890 -0.716 -7.383 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.999 -2.877 -6.123 1.00 0.00 C ATOM 0 H VAL A 30 -6.627 -1.692 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.282 -1.054 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.243 -1.178 -5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.520 -1.155 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.088 0.354 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.842 -0.877 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.627 -3.287 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.953 -3.095 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.274 -3.330 -5.170 1.00 0.00 H new ATOM 413 N ILE A 31 -4.340 1.415 -5.316 1.00 0.00 N ATOM 414 CA ILE A 31 -4.321 2.870 -5.394 1.00 0.00 C ATOM 415 C ILE A 31 -4.736 3.351 -6.780 1.00 0.00 C ATOM 416 O ILE A 31 -4.303 2.823 -7.804 1.00 0.00 O ATOM 417 CB ILE A 31 -2.927 3.434 -5.063 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.051 4.818 -4.421 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.071 3.502 -6.319 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.810 5.250 -3.672 1.00 0.00 C ATOM 0 H ILE A 31 -3.452 0.969 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.035 3.235 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.441 2.766 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.271 5.551 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.898 4.817 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.089 3.903 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.959 2.502 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.551 4.150 -7.052 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.970 6.239 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.601 4.538 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.964 5.284 -4.359 1.00 0.00 H new ATOM 432 N PRO A 32 -5.596 4.382 -6.816 1.00 0.00 N ATOM 433 CA PRO A 32 -6.086 4.960 -8.071 1.00 0.00 C ATOM 434 C PRO A 32 -4.998 5.713 -8.826 1.00 0.00 C ATOM 435 O PRO A 32 -4.774 5.477 -10.014 1.00 0.00 O ATOM 436 CB PRO A 32 -7.184 5.922 -7.612 1.00 0.00 C ATOM 437 CG PRO A 32 -6.813 6.281 -6.214 1.00 0.00 C ATOM 438 CD PRO A 32 -6.153 5.061 -5.634 1.00 0.00 C ATOM 0 HA PRO A 32 -6.434 4.195 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.228 6.805 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.166 5.450 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.137 7.136 -6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.694 6.560 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.375 5.327 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.868 4.429 -5.107 1.00 0.00 H new ATOM 446 N CYS A 33 -4.323 6.623 -8.131 1.00 0.00 N ATOM 447 CA CYS A 33 -3.257 7.413 -8.736 1.00 0.00 C ATOM 448 C CYS A 33 -2.583 6.642 -9.868 1.00 0.00 C ATOM 449 O CYS A 33 -2.378 7.171 -10.960 1.00 0.00 O ATOM 450 CB CYS A 33 -2.219 7.801 -7.681 1.00 0.00 C ATOM 451 SG CYS A 33 -1.492 6.384 -6.796 1.00 0.00 S ATOM 0 H CYS A 33 -4.496 6.832 -7.148 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.701 8.318 -9.150 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.419 8.363 -8.163 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.685 8.468 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.814 5.653 -7.630 1.00 0.00 H new ATOM 456 N CYS A 34 -2.242 5.386 -9.598 1.00 0.00 N ATOM 457 CA CYS A 34 -1.591 4.539 -10.592 1.00 0.00 C ATOM 458 C CYS A 34 -2.224 3.152 -10.622 1.00 0.00 C ATOM 459 O CYS A 34 -2.678 2.688 -11.667 1.00 0.00 O ATOM 460 CB CYS A 34 -0.095 4.424 -10.293 1.00 0.00 C ATOM 461 SG CYS A 34 0.285 3.940 -8.578 1.00 0.00 S ATOM 0 H CYS A 34 -2.406 4.932 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.724 5.001 -11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.345 3.693 -10.972 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.381 5.382 -10.503 1.00 0.00 H new ATOM 0 HG CYS A 34 1.560 4.072 -8.362 1.00 0.00 H new ATOM 466 N GLY A 35 -2.250 2.494 -9.467 1.00 0.00 N ATOM 467 CA GLY A 35 -2.830 1.166 -9.383 1.00 0.00 C ATOM 468 C GLY A 35 -2.087 0.270 -8.411 1.00 0.00 C ATOM 469 O GLY A 35 -2.683 -0.601 -7.779 1.00 0.00 O ATOM 0 H GLY A 35 -1.880 2.857 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.872 1.247 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.825 0.707 -10.372 1.00 0.00 H new ATOM 473 N ASN A 36 -0.780 0.482 -8.294 1.00 0.00 N ATOM 474 CA ASN A 36 0.046 -0.314 -7.394 1.00 0.00 C ATOM 475 C ASN A 36 -0.687 -0.592 -6.085 1.00 0.00 C ATOM 476 O ASN A 36 -1.399 0.268 -5.566 1.00 0.00 O ATOM 477 CB ASN A 36 1.367 0.403 -7.109 1.00 0.00 C ATOM 478 CG ASN A 36 1.999 0.969 -8.367 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.931 1.899 -8.192 1.00 0.00 O flip ATOM 480 ND2 ASN A 36 1.654 0.576 -9.481 1.00 0.00 N flip ATOM 0 H ASN A 36 -0.270 1.198 -8.811 1.00 0.00 H new ATOM 0 HA ASN A 36 0.256 -1.266 -7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.193 1.210 -6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.061 -0.293 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.934 -0.141 -9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.089 0.967 -10.317 1.00 0.00 H new ATOM 487 N SER A 37 -0.506 -1.798 -5.555 1.00 0.00 N ATOM 488 CA SER A 37 -1.154 -2.191 -4.309 1.00 0.00 C ATOM 489 C SER A 37 -0.149 -2.211 -3.160 1.00 0.00 C ATOM 490 O SER A 37 1.030 -2.501 -3.357 1.00 0.00 O ATOM 491 CB SER A 37 -1.803 -3.567 -4.458 1.00 0.00 C ATOM 492 OG SER A 37 -2.747 -3.800 -3.428 1.00 0.00 O ATOM 0 H SER A 37 0.084 -2.520 -5.969 1.00 0.00 H new ATOM 0 HA SER A 37 -1.927 -1.457 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.294 -3.638 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.035 -4.340 -4.433 1.00 0.00 H new ATOM 0 HG SER A 37 -3.456 -4.389 -3.761 1.00 0.00 H new ATOM 498 N TYR A 38 -0.628 -1.900 -1.960 1.00 0.00 N ATOM 499 CA TYR A 38 0.227 -1.880 -0.779 1.00 0.00 C ATOM 500 C TYR A 38 -0.553 -2.295 0.465 1.00 0.00 C ATOM 501 O TYR A 38 -1.785 -2.307 0.465 1.00 0.00 O ATOM 502 CB TYR A 38 0.823 -0.485 -0.579 1.00 0.00 C ATOM 503 CG TYR A 38 1.491 0.071 -1.816 1.00 0.00 C ATOM 504 CD1 TYR A 38 0.770 0.814 -2.743 1.00 0.00 C ATOM 505 CD2 TYR A 38 2.841 -0.146 -2.058 1.00 0.00 C ATOM 506 CE1 TYR A 38 1.376 1.323 -3.876 1.00 0.00 C ATOM 507 CE2 TYR A 38 3.456 0.361 -3.187 1.00 0.00 C ATOM 508 CZ TYR A 38 2.719 1.094 -4.093 1.00 0.00 C ATOM 509 OH TYR A 38 3.327 1.601 -5.219 1.00 0.00 O ATOM 0 H TYR A 38 -1.603 -1.659 -1.780 1.00 0.00 H new ATOM 0 HA TYR A 38 1.035 -2.595 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.033 0.197 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.551 -0.523 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.281 0.997 -2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.421 -0.721 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.801 1.897 -4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.508 0.184 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 38 4.274 1.350 -5.220 1.00 0.00 H new ATOM 519 N CYS A 39 0.173 -2.634 1.524 1.00 0.00 N ATOM 520 CA CYS A 39 -0.448 -3.050 2.777 1.00 0.00 C ATOM 521 C CYS A 39 -1.240 -1.903 3.398 1.00 0.00 C ATOM 522 O CYS A 39 -0.758 -0.773 3.472 1.00 0.00 O ATOM 523 CB CYS A 39 0.615 -3.543 3.759 1.00 0.00 C ATOM 524 SG CYS A 39 1.784 -4.745 3.048 1.00 0.00 S ATOM 0 H CYS A 39 1.193 -2.629 1.540 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.136 -3.867 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.175 -2.686 4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.119 -3.998 4.616 1.00 0.00 H new ATOM 0 HG CYS A 39 2.523 -4.156 2.155 1.00 0.00 H new ATOM 529 N ASP A 40 -2.454 -2.203 3.844 1.00 0.00 N ATOM 530 CA ASP A 40 -3.312 -1.199 4.462 1.00 0.00 C ATOM 531 C ASP A 40 -2.493 -0.236 5.316 1.00 0.00 C ATOM 532 O ASP A 40 -2.849 0.932 5.465 1.00 0.00 O ATOM 533 CB ASP A 40 -4.388 -1.871 5.316 1.00 0.00 C ATOM 534 CG ASP A 40 -4.819 -1.009 6.486 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.122 0.183 6.266 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.856 -1.526 7.622 1.00 0.00 O ATOM 0 H ASP A 40 -2.867 -3.134 3.789 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.795 -0.630 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.255 -2.094 4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.010 -2.823 5.689 1.00 0.00 H new ATOM 541 N GLU A 41 -1.396 -0.736 5.875 1.00 0.00 N ATOM 542 CA GLU A 41 -0.529 0.080 6.717 1.00 0.00 C ATOM 543 C GLU A 41 0.600 0.699 5.896 1.00 0.00 C ATOM 544 O GLU A 41 0.915 1.881 6.044 1.00 0.00 O ATOM 545 CB GLU A 41 0.056 -0.761 7.853 1.00 0.00 C ATOM 546 CG GLU A 41 0.848 -1.965 7.373 1.00 0.00 C ATOM 547 CD GLU A 41 1.600 -2.654 8.496 1.00 0.00 C ATOM 548 OE1 GLU A 41 2.033 -1.956 9.437 1.00 0.00 O ATOM 549 OE2 GLU A 41 1.754 -3.892 8.434 1.00 0.00 O ATOM 0 H GLU A 41 -1.087 -1.701 5.760 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.131 0.883 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.703 -0.131 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.755 -1.103 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.170 -2.678 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.556 -1.648 6.608 1.00 0.00 H new ATOM 556 N CYS A 42 1.204 -0.106 5.029 1.00 0.00 N ATOM 557 CA CYS A 42 2.297 0.359 4.185 1.00 0.00 C ATOM 558 C CYS A 42 1.977 1.726 3.586 1.00 0.00 C ATOM 559 O CYS A 42 2.549 2.740 3.987 1.00 0.00 O ATOM 560 CB CYS A 42 2.572 -0.648 3.067 1.00 0.00 C ATOM 561 SG CYS A 42 3.892 -1.843 3.451 1.00 0.00 S ATOM 0 H CYS A 42 0.954 -1.085 4.893 1.00 0.00 H new ATOM 0 HA CYS A 42 3.188 0.453 4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.654 -1.194 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.841 -0.105 2.161 1.00 0.00 H new ATOM 0 HG CYS A 42 3.403 -3.047 3.443 1.00 0.00 H new ATOM 566 N ILE A 43 1.061 1.744 2.623 1.00 0.00 N ATOM 567 CA ILE A 43 0.664 2.985 1.971 1.00 0.00 C ATOM 568 C ILE A 43 0.214 4.024 2.992 1.00 0.00 C ATOM 569 O ILE A 43 0.639 5.179 2.946 1.00 0.00 O ATOM 570 CB ILE A 43 -0.472 2.750 0.958 1.00 0.00 C ATOM 571 CG1 ILE A 43 -0.914 4.077 0.337 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.647 2.058 1.633 1.00 0.00 C ATOM 573 CD1 ILE A 43 0.185 4.782 -0.426 1.00 0.00 C ATOM 0 H ILE A 43 0.580 0.913 2.278 1.00 0.00 H new ATOM 0 HA ILE A 43 1.541 3.357 1.441 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.102 2.104 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.752 3.893 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.277 4.735 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.442 1.898 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.323 1.097 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.019 2.682 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.199 5.715 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.015 4.998 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.533 4.142 -1.237 1.00 0.00 H new ATOM 585 N ARG A 44 -0.646 3.606 3.913 1.00 0.00 N ATOM 586 CA ARG A 44 -1.154 4.499 4.946 1.00 0.00 C ATOM 587 C ARG A 44 -0.042 5.396 5.485 1.00 0.00 C ATOM 588 O ARG A 44 -0.144 6.623 5.446 1.00 0.00 O ATOM 589 CB ARG A 44 -1.772 3.693 6.090 1.00 0.00 C ATOM 590 CG ARG A 44 -2.237 4.549 7.258 1.00 0.00 C ATOM 591 CD ARG A 44 -2.779 3.696 8.394 1.00 0.00 C ATOM 592 NE ARG A 44 -1.766 2.788 8.927 1.00 0.00 N ATOM 593 CZ ARG A 44 -1.804 2.286 10.156 1.00 0.00 C ATOM 594 NH1 ARG A 44 -2.798 2.602 10.975 1.00 0.00 N ATOM 595 NH2 ARG A 44 -0.846 1.466 10.569 1.00 0.00 N ATOM 0 H ARG A 44 -1.006 2.653 3.965 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.922 5.130 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.620 3.125 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.041 2.969 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.406 5.154 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.010 5.239 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.142 4.343 9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.633 3.119 8.039 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.988 2.525 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.536 3.232 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.824 2.215 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.079 1.221 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.876 1.081 11.513 1.00 0.00 H new ATOM 609 N THR A 45 1.021 4.774 5.987 1.00 0.00 N ATOM 610 CA THR A 45 2.150 5.514 6.534 1.00 0.00 C ATOM 611 C THR A 45 2.944 6.203 5.430 1.00 0.00 C ATOM 612 O THR A 45 3.247 7.393 5.520 1.00 0.00 O ATOM 613 CB THR A 45 3.094 4.592 7.329 1.00 0.00 C ATOM 614 OG1 THR A 45 2.388 3.994 8.423 1.00 0.00 O ATOM 615 CG2 THR A 45 4.292 5.367 7.856 1.00 0.00 C ATOM 0 H THR A 45 1.123 3.760 6.026 1.00 0.00 H new ATOM 0 HA THR A 45 1.738 6.267 7.205 1.00 0.00 H new ATOM 0 HB THR A 45 3.453 3.812 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.994 3.408 8.922 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.944 4.694 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.844 5.796 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.948 6.166 8.513 1.00 0.00 H new ATOM 623 N ALA A 46 3.276 5.448 4.388 1.00 0.00 N ATOM 624 CA ALA A 46 4.032 5.987 3.264 1.00 0.00 C ATOM 625 C ALA A 46 3.647 7.437 2.989 1.00 0.00 C ATOM 626 O ALA A 46 4.481 8.339 3.073 1.00 0.00 O ATOM 627 CB ALA A 46 3.812 5.136 2.023 1.00 0.00 C ATOM 0 H ALA A 46 3.033 4.461 4.299 1.00 0.00 H new ATOM 0 HA ALA A 46 5.090 5.962 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.383 5.550 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.143 4.116 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.752 5.131 1.769 1.00 0.00 H new ATOM 633 N LEU A 47 2.378 7.654 2.657 1.00 0.00 N ATOM 634 CA LEU A 47 1.882 8.995 2.369 1.00 0.00 C ATOM 635 C LEU A 47 2.351 9.989 3.426 1.00 0.00 C ATOM 636 O LEU A 47 2.678 11.135 3.115 1.00 0.00 O ATOM 637 CB LEU A 47 0.354 8.991 2.297 1.00 0.00 C ATOM 638 CG LEU A 47 -0.255 8.514 0.978 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.756 8.315 1.124 1.00 0.00 C ATOM 640 CD2 LEU A 47 0.046 9.504 -0.137 1.00 0.00 C ATOM 0 H LEU A 47 1.675 6.919 2.581 1.00 0.00 H new ATOM 0 HA LEU A 47 2.284 9.304 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.026 8.358 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.002 10.002 2.493 1.00 0.00 H new ATOM 0 HG LEU A 47 0.195 7.556 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.172 7.976 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.951 7.568 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.222 9.259 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.395 9.148 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.376 10.477 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.125 9.597 -0.259 1.00 0.00 H new ATOM 652 N LEU A 48 2.382 9.543 4.677 1.00 0.00 N ATOM 653 CA LEU A 48 2.813 10.392 5.782 1.00 0.00 C ATOM 654 C LEU A 48 4.330 10.552 5.785 1.00 0.00 C ATOM 655 O LEU A 48 4.845 11.663 5.902 1.00 0.00 O ATOM 656 CB LEU A 48 2.348 9.804 7.115 1.00 0.00 C ATOM 657 CG LEU A 48 0.923 10.157 7.544 1.00 0.00 C ATOM 658 CD1 LEU A 48 -0.092 9.474 6.641 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.692 9.770 8.997 1.00 0.00 C ATOM 0 H LEU A 48 2.114 8.598 4.951 1.00 0.00 H new ATOM 0 HA LEU A 48 2.362 11.376 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.431 8.719 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.034 10.136 7.895 1.00 0.00 H new ATOM 0 HG LEU A 48 0.793 11.235 7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.100 9.737 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.058 9.801 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.037 8.393 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.327 10.029 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.841 8.697 9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.396 10.307 9.633 1.00 0.00 H new ATOM 671 N GLU A 49 5.039 9.435 5.655 1.00 0.00 N ATOM 672 CA GLU A 49 6.496 9.453 5.642 1.00 0.00 C ATOM 673 C GLU A 49 7.019 10.664 4.875 1.00 0.00 C ATOM 674 O GLU A 49 7.649 11.552 5.448 1.00 0.00 O ATOM 675 CB GLU A 49 7.039 8.167 5.017 1.00 0.00 C ATOM 676 CG GLU A 49 6.626 6.907 5.761 1.00 0.00 C ATOM 677 CD GLU A 49 7.437 5.694 5.348 1.00 0.00 C ATOM 678 OE1 GLU A 49 7.246 5.209 4.214 1.00 0.00 O ATOM 679 OE2 GLU A 49 8.264 5.229 6.161 1.00 0.00 O ATOM 0 H GLU A 49 4.628 8.507 5.557 1.00 0.00 H new ATOM 0 HA GLU A 49 6.841 9.521 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.693 8.100 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.127 8.220 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.741 7.068 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.569 6.712 5.579 1.00 0.00 H new ATOM 686 N SER A 50 6.752 10.693 3.572 1.00 0.00 N ATOM 687 CA SER A 50 7.199 11.792 2.724 1.00 0.00 C ATOM 688 C SER A 50 6.622 13.119 3.207 1.00 0.00 C ATOM 689 O SER A 50 5.414 13.249 3.402 1.00 0.00 O ATOM 690 CB SER A 50 6.787 11.542 1.272 1.00 0.00 C ATOM 691 OG SER A 50 7.152 12.632 0.444 1.00 0.00 O ATOM 0 H SER A 50 6.229 9.968 3.081 1.00 0.00 H new ATOM 0 HA SER A 50 8.286 11.846 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.261 10.630 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.710 11.385 1.218 1.00 0.00 H new ATOM 0 HG SER A 50 6.347 13.123 0.176 1.00 0.00 H new ATOM 697 N ASP A 51 7.496 14.101 3.398 1.00 0.00 N ATOM 698 CA ASP A 51 7.075 15.420 3.857 1.00 0.00 C ATOM 699 C ASP A 51 5.704 15.779 3.293 1.00 0.00 C ATOM 700 O ASP A 51 4.834 16.263 4.016 1.00 0.00 O ATOM 701 CB ASP A 51 8.102 16.477 3.447 1.00 0.00 C ATOM 702 CG ASP A 51 7.871 17.807 4.137 1.00 0.00 C ATOM 703 OD1 ASP A 51 7.636 17.806 5.364 1.00 0.00 O ATOM 704 OD2 ASP A 51 7.924 18.848 3.452 1.00 0.00 O ATOM 0 H ASP A 51 8.500 14.009 3.242 1.00 0.00 H new ATOM 0 HA ASP A 51 7.005 15.395 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.103 16.117 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.061 16.619 2.367 1.00 0.00 H new ATOM 709 N GLU A 52 5.520 15.540 1.999 1.00 0.00 N ATOM 710 CA GLU A 52 4.256 15.841 1.339 1.00 0.00 C ATOM 711 C GLU A 52 3.661 14.587 0.705 1.00 0.00 C ATOM 712 O GLU A 52 4.219 14.032 -0.243 1.00 0.00 O ATOM 713 CB GLU A 52 4.455 16.920 0.273 1.00 0.00 C ATOM 714 CG GLU A 52 4.320 18.336 0.807 1.00 0.00 C ATOM 715 CD GLU A 52 5.428 18.702 1.774 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.299 18.377 2.973 1.00 0.00 O ATOM 717 OE2 GLU A 52 6.423 19.314 1.335 1.00 0.00 O ATOM 0 H GLU A 52 6.230 15.139 1.387 1.00 0.00 H new ATOM 0 HA GLU A 52 3.561 16.210 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.443 16.801 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.726 16.770 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.325 19.037 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.357 18.442 1.307 1.00 0.00 H new ATOM 724 N HIS A 53 2.524 14.146 1.233 1.00 0.00 N ATOM 725 CA HIS A 53 1.852 12.958 0.719 1.00 0.00 C ATOM 726 C HIS A 53 2.013 12.854 -0.794 1.00 0.00 C ATOM 727 O HIS A 53 1.365 13.580 -1.549 1.00 0.00 O ATOM 728 CB HIS A 53 0.368 12.985 1.086 1.00 0.00 C ATOM 729 CG HIS A 53 0.111 13.350 2.517 1.00 0.00 C ATOM 730 ND1 HIS A 53 -0.222 14.625 2.921 1.00 0.00 N ATOM 731 CD2 HIS A 53 0.139 12.596 3.640 1.00 0.00 C ATOM 732 CE1 HIS A 53 -0.387 14.641 4.230 1.00 0.00 C ATOM 733 NE2 HIS A 53 -0.174 13.421 4.692 1.00 0.00 N ATOM 0 H HIS A 53 2.049 14.593 2.017 1.00 0.00 H new ATOM 0 HA HIS A 53 2.315 12.083 1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.145 13.698 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.065 12.005 0.886 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -0.325 15.431 2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.365 11.542 3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.651 15.504 4.823 1.00 0.00 H new ATOM 741 N THR A 54 2.881 11.948 -1.232 1.00 0.00 N ATOM 742 CA THR A 54 3.128 11.751 -2.655 1.00 0.00 C ATOM 743 C THR A 54 3.471 10.298 -2.958 1.00 0.00 C ATOM 744 O THR A 54 4.523 9.800 -2.556 1.00 0.00 O ATOM 745 CB THR A 54 4.274 12.652 -3.156 1.00 0.00 C ATOM 746 OG1 THR A 54 3.953 14.028 -2.922 1.00 0.00 O ATOM 747 CG2 THR A 54 4.528 12.429 -4.639 1.00 0.00 C ATOM 0 H THR A 54 3.425 11.339 -0.621 1.00 0.00 H new ATOM 0 HA THR A 54 2.209 12.020 -3.175 1.00 0.00 H new ATOM 0 HB THR A 54 5.179 12.392 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.168 14.261 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.341 13.075 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.801 11.387 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.625 12.664 -5.202 1.00 0.00 H new ATOM 755 N CYS A 55 2.577 9.619 -3.668 1.00 0.00 N ATOM 756 CA CYS A 55 2.784 8.222 -4.026 1.00 0.00 C ATOM 757 C CYS A 55 4.264 7.933 -4.258 1.00 0.00 C ATOM 758 O CYS A 55 4.963 8.665 -4.958 1.00 0.00 O ATOM 759 CB CYS A 55 1.982 7.870 -5.281 1.00 0.00 C ATOM 760 SG CYS A 55 1.843 6.081 -5.598 1.00 0.00 S ATOM 0 H CYS A 55 1.700 10.015 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 55 2.437 7.606 -3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.981 8.291 -5.189 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.450 8.346 -6.143 1.00 0.00 H new ATOM 0 HG CYS A 55 0.663 5.815 -6.075 1.00 0.00 H new ATOM 765 N PRO A 56 4.755 6.840 -3.656 1.00 0.00 N ATOM 766 CA PRO A 56 6.157 6.428 -3.781 1.00 0.00 C ATOM 767 C PRO A 56 6.489 5.925 -5.182 1.00 0.00 C ATOM 768 O PRO A 56 7.604 5.469 -5.442 1.00 0.00 O ATOM 769 CB PRO A 56 6.286 5.293 -2.761 1.00 0.00 C ATOM 770 CG PRO A 56 4.906 4.750 -2.622 1.00 0.00 C ATOM 771 CD PRO A 56 3.979 5.920 -2.806 1.00 0.00 C ATOM 0 HA PRO A 56 6.843 7.257 -3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.980 4.527 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.665 5.659 -1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.713 3.979 -3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.764 4.290 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.046 5.622 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.717 6.379 -1.853 1.00 0.00 H new ATOM 779 N THR A 57 5.517 6.011 -6.084 1.00 0.00 N ATOM 780 CA THR A 57 5.706 5.565 -7.458 1.00 0.00 C ATOM 781 C THR A 57 5.398 6.683 -8.447 1.00 0.00 C ATOM 782 O THR A 57 6.304 7.262 -9.049 1.00 0.00 O ATOM 783 CB THR A 57 4.817 4.350 -7.781 1.00 0.00 C ATOM 784 OG1 THR A 57 5.123 3.268 -6.894 1.00 0.00 O ATOM 785 CG2 THR A 57 5.015 3.902 -9.222 1.00 0.00 C ATOM 0 H THR A 57 4.589 6.386 -5.887 1.00 0.00 H new ATOM 0 HA THR A 57 6.753 5.277 -7.555 1.00 0.00 H new ATOM 0 HB THR A 57 3.776 4.645 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.448 2.564 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.377 3.042 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.753 4.718 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.058 3.625 -9.377 1.00 0.00 H new ATOM 793 N CYS A 58 4.114 6.985 -8.611 1.00 0.00 N ATOM 794 CA CYS A 58 3.685 8.036 -9.527 1.00 0.00 C ATOM 795 C CYS A 58 3.462 9.349 -8.782 1.00 0.00 C ATOM 796 O CYS A 58 2.534 9.471 -7.981 1.00 0.00 O ATOM 797 CB CYS A 58 2.402 7.620 -10.247 1.00 0.00 C ATOM 798 SG CYS A 58 0.936 7.541 -9.169 1.00 0.00 S ATOM 0 H CYS A 58 3.352 6.516 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 58 4.474 8.187 -10.264 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.207 8.324 -11.056 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.556 6.643 -10.705 1.00 0.00 H new ATOM 0 HG CYS A 58 1.070 8.387 -8.191 1.00 0.00 H new ATOM 803 N HIS A 59 4.318 10.329 -9.052 1.00 0.00 N ATOM 804 CA HIS A 59 4.213 11.635 -8.410 1.00 0.00 C ATOM 805 C HIS A 59 2.754 12.059 -8.275 1.00 0.00 C ATOM 806 O HIS A 59 2.089 12.350 -9.269 1.00 0.00 O ATOM 807 CB HIS A 59 4.989 12.683 -9.207 1.00 0.00 C ATOM 808 CG HIS A 59 4.249 13.193 -10.404 1.00 0.00 C ATOM 809 ND1 HIS A 59 3.429 14.260 -10.550 1.00 0.00 N flip ATOM 810 CD2 HIS A 59 4.309 12.585 -11.641 1.00 0.00 C flip ATOM 811 CE1 HIS A 59 3.012 14.278 -11.859 1.00 0.00 C flip ATOM 812 NE2 HIS A 59 3.558 13.257 -12.496 1.00 0.00 N flip ATOM 0 H HIS A 59 5.092 10.244 -9.711 1.00 0.00 H new ATOM 0 HA HIS A 59 4.644 11.557 -7.412 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.228 13.522 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.936 12.253 -9.532 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.880 11.699 -11.874 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.346 15.008 -12.296 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.423 13.027 -13.480 1.00 0.00 H new ATOM 820 N GLN A 60 2.263 12.089 -7.039 1.00 0.00 N ATOM 821 CA GLN A 60 0.882 12.477 -6.777 1.00 0.00 C ATOM 822 C GLN A 60 0.813 13.534 -5.680 1.00 0.00 C ATOM 823 O GLN A 60 1.814 13.836 -5.032 1.00 0.00 O ATOM 824 CB GLN A 60 0.055 11.253 -6.377 1.00 0.00 C ATOM 825 CG GLN A 60 -1.428 11.398 -6.675 1.00 0.00 C ATOM 826 CD GLN A 60 -1.693 12.044 -8.020 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.121 11.647 -9.036 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.564 13.046 -8.035 1.00 0.00 N ATOM 0 H GLN A 60 2.800 11.850 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 60 0.469 12.903 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.439 10.378 -6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.187 11.068 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.897 10.415 -6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.895 11.994 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.015 13.343 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.782 13.519 -8.912 1.00 0.00 H new ATOM 837 N ASN A 61 -0.376 14.092 -5.477 1.00 0.00 N ATOM 838 CA ASN A 61 -0.576 15.116 -4.458 1.00 0.00 C ATOM 839 C ASN A 61 -1.706 14.727 -3.509 1.00 0.00 C ATOM 840 O ASN A 61 -2.882 14.923 -3.816 1.00 0.00 O ATOM 841 CB ASN A 61 -0.886 16.463 -5.113 1.00 0.00 C ATOM 842 CG ASN A 61 -0.209 16.620 -6.461 1.00 0.00 C ATOM 843 OD1 ASN A 61 0.997 16.853 -6.539 1.00 0.00 O ATOM 844 ND2 ASN A 61 -0.986 16.492 -7.532 1.00 0.00 N ATOM 0 H ASN A 61 -1.215 13.852 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 61 0.345 15.203 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.964 16.564 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.564 17.268 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.587 16.587 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.981 16.299 -7.420 1.00 0.00 H new ATOM 851 N ASP A 62 -1.341 14.176 -2.357 1.00 0.00 N ATOM 852 CA ASP A 62 -2.323 13.760 -1.363 1.00 0.00 C ATOM 853 C ASP A 62 -3.327 12.784 -1.967 1.00 0.00 C ATOM 854 O ASP A 62 -4.538 12.994 -1.890 1.00 0.00 O ATOM 855 CB ASP A 62 -3.055 14.979 -0.798 1.00 0.00 C ATOM 856 CG ASP A 62 -2.102 16.040 -0.286 1.00 0.00 C ATOM 857 OD1 ASP A 62 -1.099 15.674 0.360 1.00 0.00 O ATOM 858 OD2 ASP A 62 -2.359 17.237 -0.531 1.00 0.00 O ATOM 0 H ASP A 62 -0.372 14.007 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.794 13.256 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.691 15.409 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.711 14.662 0.013 1.00 0.00 H new ATOM 863 N VAL A 63 -2.817 11.713 -2.567 1.00 0.00 N ATOM 864 CA VAL A 63 -3.669 10.703 -3.184 1.00 0.00 C ATOM 865 C VAL A 63 -4.855 10.365 -2.290 1.00 0.00 C ATOM 866 O VAL A 63 -4.683 9.938 -1.148 1.00 0.00 O ATOM 867 CB VAL A 63 -2.882 9.413 -3.484 1.00 0.00 C ATOM 868 CG1 VAL A 63 -2.174 8.915 -2.233 1.00 0.00 C ATOM 869 CG2 VAL A 63 -3.807 8.343 -4.044 1.00 0.00 C ATOM 0 H VAL A 63 -1.818 11.522 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.033 11.124 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.125 9.637 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.624 8.003 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.480 9.678 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.910 8.707 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.234 7.439 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.588 8.120 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.262 8.702 -4.967 1.00 0.00 H new ATOM 879 N SER A 64 -6.060 10.558 -2.816 1.00 0.00 N ATOM 880 CA SER A 64 -7.278 10.276 -2.064 1.00 0.00 C ATOM 881 C SER A 64 -7.155 8.957 -1.308 1.00 0.00 C ATOM 882 O SER A 64 -7.226 7.871 -1.886 1.00 0.00 O ATOM 883 CB SER A 64 -8.484 10.228 -3.004 1.00 0.00 C ATOM 884 OG SER A 64 -9.051 11.516 -3.171 1.00 0.00 O ATOM 0 H SER A 64 -6.220 10.909 -3.760 1.00 0.00 H new ATOM 0 HA SER A 64 -7.423 11.078 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.179 9.833 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.234 9.546 -2.604 1.00 0.00 H new ATOM 0 HG SER A 64 -9.819 11.459 -3.777 1.00 0.00 H new ATOM 890 N PRO A 65 -6.968 9.050 0.017 1.00 0.00 N ATOM 891 CA PRO A 65 -6.833 7.874 0.882 1.00 0.00 C ATOM 892 C PRO A 65 -8.141 7.105 1.024 1.00 0.00 C ATOM 893 O PRO A 65 -8.140 5.885 1.193 1.00 0.00 O ATOM 894 CB PRO A 65 -6.416 8.471 2.229 1.00 0.00 C ATOM 895 CG PRO A 65 -6.945 9.863 2.207 1.00 0.00 C ATOM 896 CD PRO A 65 -6.874 10.311 0.772 1.00 0.00 C ATOM 0 HA PRO A 65 -6.121 7.153 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.833 7.902 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.333 8.461 2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.970 9.897 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.353 10.515 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.689 10.991 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.943 10.838 0.561 1.00 0.00 H new ATOM 904 N ASP A 66 -9.255 7.824 0.953 1.00 0.00 N ATOM 905 CA ASP A 66 -10.572 7.208 1.070 1.00 0.00 C ATOM 906 C ASP A 66 -11.079 6.744 -0.292 1.00 0.00 C ATOM 907 O ASP A 66 -12.284 6.719 -0.540 1.00 0.00 O ATOM 908 CB ASP A 66 -11.565 8.192 1.691 1.00 0.00 C ATOM 909 CG ASP A 66 -11.286 8.449 3.158 1.00 0.00 C ATOM 910 OD1 ASP A 66 -11.150 7.467 3.916 1.00 0.00 O ATOM 911 OD2 ASP A 66 -11.205 9.633 3.548 1.00 0.00 O ATOM 0 H ASP A 66 -9.273 8.834 0.815 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.482 6.337 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.526 9.135 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.577 7.801 1.580 1.00 0.00 H new ATOM 916 N ALA A 67 -10.151 6.379 -1.170 1.00 0.00 N ATOM 917 CA ALA A 67 -10.505 5.916 -2.506 1.00 0.00 C ATOM 918 C ALA A 67 -9.730 4.654 -2.872 1.00 0.00 C ATOM 919 O ALA A 67 -9.410 4.427 -4.039 1.00 0.00 O ATOM 920 CB ALA A 67 -10.247 7.011 -3.530 1.00 0.00 C ATOM 0 H ALA A 67 -9.149 6.395 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.568 5.673 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.516 6.651 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.849 7.886 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.191 7.281 -3.516 1.00 0.00 H new ATOM 926 N LEU A 68 -9.430 3.837 -1.868 1.00 0.00 N ATOM 927 CA LEU A 68 -8.691 2.599 -2.084 1.00 0.00 C ATOM 928 C LEU A 68 -9.595 1.385 -1.893 1.00 0.00 C ATOM 929 O LEU A 68 -10.586 1.445 -1.166 1.00 0.00 O ATOM 930 CB LEU A 68 -7.500 2.517 -1.127 1.00 0.00 C ATOM 931 CG LEU A 68 -6.622 3.766 -1.041 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.636 3.646 0.111 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.888 3.993 -2.354 1.00 0.00 C ATOM 0 H LEU A 68 -9.687 4.010 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.324 2.599 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.876 2.292 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.874 1.677 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.264 4.627 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.019 4.544 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.182 3.533 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.999 2.776 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.268 4.886 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.257 3.131 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.612 4.125 -3.158 1.00 0.00 H new ATOM 945 N SER A 69 -9.245 0.283 -2.549 1.00 0.00 N ATOM 946 CA SER A 69 -10.026 -0.944 -2.453 1.00 0.00 C ATOM 947 C SER A 69 -10.561 -1.139 -1.038 1.00 0.00 C ATOM 948 O SER A 69 -11.704 -1.551 -0.845 1.00 0.00 O ATOM 949 CB SER A 69 -9.174 -2.148 -2.858 1.00 0.00 C ATOM 950 OG SER A 69 -9.980 -3.194 -3.375 1.00 0.00 O ATOM 0 H SER A 69 -8.426 0.215 -3.153 1.00 0.00 H new ATOM 0 HA SER A 69 -10.873 -0.860 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.443 -1.844 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.615 -2.509 -1.995 1.00 0.00 H new ATOM 0 HG SER A 69 -9.411 -3.951 -3.628 1.00 0.00 H new