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 161:sc= 2.13 USER MOD Set 1.2: A 21 CYS SG : rot -36:sc= 0.117 USER MOD Set 1.3: A 39 CYS SG : rot 66:sc= 0.39 USER MOD Set 1.4: A 42 CYS SG : rot 122:sc= 0.0888 USER MOD Set 2.1: A 33 CYS SG : rot 67:sc= -5.09! USER MOD Set 2.2: A 34 CYS SG : rot 105:sc= 1.27 USER MOD Set 2.3: A 36 ASN :FLIP amide:sc= -1.03 F(o=-5.9!,f=-4) USER MOD Set 2.4: A 38 TYR OH : rot -147:sc= 0.646 USER MOD Set 2.5: A 55 CYS SG : rot 150:sc= 0.945 USER MOD Set 2.6: A 57 THR OG1 : rot -114:sc= 0.613 USER MOD Set 2.7: A 58 CYS SG : rot -34:sc= -0.624 USER MOD Set 2.8: A 60 GLN : amide:sc= -0.725 K(o=-4,f=-5.2) USER MOD Set 3.1: A 25 MET CE :methyl -148:sc= -2.2 (180deg=-2.6!) USER MOD Set 3.2: A 37 SER OG : rot 26:sc= 0.0342 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 16:sc= 0.62 USER MOD Single : A 53 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.00841 X(o=-0.0084,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.059) 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 1.327 -11.174 -5.477 1.00 0.00 N ATOM 180 CA LEU A 16 0.535 -11.449 -4.283 1.00 0.00 C ATOM 181 C LEU A 16 0.952 -10.538 -3.133 1.00 0.00 C ATOM 182 O LEU A 16 0.112 -10.051 -2.376 1.00 0.00 O ATOM 183 CB LEU A 16 0.690 -12.914 -3.872 1.00 0.00 C ATOM 184 CG LEU A 16 -0.311 -13.893 -4.485 1.00 0.00 C ATOM 185 CD1 LEU A 16 0.092 -15.329 -4.183 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.715 -13.612 -3.971 1.00 0.00 C ATOM 0 HA LEU A 16 -0.512 -11.253 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.696 -13.240 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.610 -12.976 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.307 -13.756 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.633 -16.011 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.079 -15.525 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.118 -15.480 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.414 -14.319 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.734 -13.720 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.004 -12.596 -4.240 1.00 0.00 H new ATOM 198 N LEU A 17 2.255 -10.312 -3.007 1.00 0.00 N ATOM 199 CA LEU A 17 2.785 -9.457 -1.948 1.00 0.00 C ATOM 200 C LEU A 17 2.874 -8.008 -2.414 1.00 0.00 C ATOM 201 O LEU A 17 2.788 -7.721 -3.608 1.00 0.00 O ATOM 202 CB LEU A 17 4.164 -9.951 -1.510 1.00 0.00 C ATOM 203 CG LEU A 17 4.211 -11.345 -0.883 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.638 -11.869 -0.854 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.622 -11.318 0.520 1.00 0.00 C ATOM 0 H LEU A 17 2.964 -10.708 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 17 2.103 -9.505 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.823 -9.943 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.572 -9.238 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 17 3.611 -12.019 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.652 -12.862 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.026 -11.926 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.261 -11.196 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.663 -12.318 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.195 -10.631 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.585 -10.986 0.473 1.00 0.00 H new ATOM 217 N CYS A 18 3.049 -7.097 -1.463 1.00 0.00 N ATOM 218 CA CYS A 18 3.153 -5.676 -1.773 1.00 0.00 C ATOM 219 C CYS A 18 4.535 -5.339 -2.325 1.00 0.00 C ATOM 220 O CYS A 18 5.473 -6.126 -2.200 1.00 0.00 O ATOM 221 CB CYS A 18 2.872 -4.838 -0.525 1.00 0.00 C ATOM 222 SG CYS A 18 4.160 -4.959 0.758 1.00 0.00 S ATOM 0 H CYS A 18 3.122 -7.318 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 18 2.410 -5.441 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.764 -3.794 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.919 -5.150 -0.098 1.00 0.00 H new ATOM 0 HG CYS A 18 4.058 -3.950 1.572 1.00 0.00 H new ATOM 227 N LEU A 19 4.651 -4.165 -2.936 1.00 0.00 N ATOM 228 CA LEU A 19 5.919 -3.723 -3.508 1.00 0.00 C ATOM 229 C LEU A 19 6.631 -2.755 -2.570 1.00 0.00 C ATOM 230 O LEU A 19 7.224 -1.770 -3.010 1.00 0.00 O ATOM 231 CB LEU A 19 5.683 -3.056 -4.864 1.00 0.00 C ATOM 232 CG LEU A 19 4.777 -3.813 -5.837 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.353 -2.910 -6.985 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.481 -5.055 -6.364 1.00 0.00 C ATOM 0 H LEU A 19 3.884 -3.502 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 19 6.553 -4.599 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.253 -2.070 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.650 -2.902 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 19 3.882 -4.127 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.709 -3.466 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.809 -2.052 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.237 -2.564 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.822 -5.581 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.393 -4.763 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.733 -5.712 -5.531 1.00 0.00 H new ATOM 246 N ILE A 20 6.570 -3.043 -1.273 1.00 0.00 N ATOM 247 CA ILE A 20 7.214 -2.199 -0.273 1.00 0.00 C ATOM 248 C ILE A 20 7.980 -3.040 0.744 1.00 0.00 C ATOM 249 O ILE A 20 9.211 -3.041 0.761 1.00 0.00 O ATOM 250 CB ILE A 20 6.186 -1.326 0.470 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.615 -0.261 -0.469 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.825 -0.676 1.688 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.375 0.418 0.070 1.00 0.00 C ATOM 0 H ILE A 20 6.082 -3.853 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 20 7.912 -1.552 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 20 5.368 -1.963 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.379 0.493 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.379 -0.722 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.086 -0.062 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.189 -1.449 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.659 -0.050 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.026 1.160 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.594 -0.325 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.610 0.909 1.014 1.00 0.00 H new ATOM 265 N CYS A 21 7.243 -3.754 1.587 1.00 0.00 N ATOM 266 CA CYS A 21 7.853 -4.600 2.607 1.00 0.00 C ATOM 267 C CYS A 21 7.818 -6.066 2.189 1.00 0.00 C ATOM 268 O CYS A 21 8.466 -6.914 2.803 1.00 0.00 O ATOM 269 CB CYS A 21 7.130 -4.422 3.945 1.00 0.00 C ATOM 270 SG CYS A 21 5.514 -5.259 4.032 1.00 0.00 S ATOM 0 H CYS A 21 6.223 -3.764 1.585 1.00 0.00 H new ATOM 0 HA CYS A 21 8.894 -4.298 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.767 -4.801 4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.987 -3.357 4.130 1.00 0.00 H new ATOM 0 HG CYS A 21 4.933 -5.202 2.871 1.00 0.00 H new ATOM 275 N LYS A 22 7.059 -6.359 1.137 1.00 0.00 N ATOM 276 CA LYS A 22 6.941 -7.722 0.634 1.00 0.00 C ATOM 277 C LYS A 22 6.279 -8.628 1.668 1.00 0.00 C ATOM 278 O LYS A 22 6.807 -9.687 2.008 1.00 0.00 O ATOM 279 CB LYS A 22 8.320 -8.273 0.266 1.00 0.00 C ATOM 280 CG LYS A 22 9.123 -7.350 -0.633 1.00 0.00 C ATOM 281 CD LYS A 22 8.519 -7.262 -2.025 1.00 0.00 C ATOM 282 CE LYS A 22 8.658 -8.578 -2.776 1.00 0.00 C ATOM 283 NZ LYS A 22 8.706 -8.372 -4.251 1.00 0.00 N ATOM 0 H LYS A 22 6.516 -5.670 0.617 1.00 0.00 H new ATOM 0 HA LYS A 22 6.315 -7.701 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.884 -8.457 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.197 -9.235 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.165 -6.355 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.149 -7.711 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.465 -6.994 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.010 -6.467 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.565 -9.088 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.820 -9.229 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.801 -9.292 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.830 -7.908 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.521 -7.772 -4.491 1.00 0.00 H new ATOM 297 N ASP A 23 5.121 -8.207 2.163 1.00 0.00 N ATOM 298 CA ASP A 23 4.386 -8.981 3.155 1.00 0.00 C ATOM 299 C ASP A 23 2.906 -9.063 2.793 1.00 0.00 C ATOM 300 O ASP A 23 2.329 -8.104 2.279 1.00 0.00 O ATOM 301 CB ASP A 23 4.551 -8.360 4.543 1.00 0.00 C ATOM 302 CG ASP A 23 4.183 -9.322 5.655 1.00 0.00 C ATOM 303 OD1 ASP A 23 5.002 -10.212 5.965 1.00 0.00 O ATOM 304 OD2 ASP A 23 3.075 -9.185 6.216 1.00 0.00 O ATOM 0 H ASP A 23 4.671 -7.333 1.893 1.00 0.00 H new ATOM 0 HA ASP A 23 4.795 -9.991 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.584 -8.037 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.927 -7.469 4.616 1.00 0.00 H new ATOM 309 N ILE A 24 2.299 -10.213 3.065 1.00 0.00 N ATOM 310 CA ILE A 24 0.886 -10.420 2.769 1.00 0.00 C ATOM 311 C ILE A 24 0.060 -9.196 3.150 1.00 0.00 C ATOM 312 O ILE A 24 0.089 -8.747 4.295 1.00 0.00 O ATOM 313 CB ILE A 24 0.331 -11.651 3.507 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.098 -12.909 3.096 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.155 -11.814 3.222 1.00 0.00 C ATOM 316 CD1 ILE A 24 0.940 -14.058 4.069 1.00 0.00 C ATOM 0 H ILE A 24 2.763 -11.016 3.490 1.00 0.00 H new ATOM 0 HA ILE A 24 0.809 -10.587 1.695 1.00 0.00 H new ATOM 0 HB ILE A 24 0.462 -11.503 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.756 -13.228 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.156 -12.665 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.533 -12.689 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.690 -10.926 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.308 -11.944 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.511 -14.916 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.309 -13.758 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.113 -14.329 4.145 1.00 0.00 H new ATOM 328 N MET A 25 -0.677 -8.662 2.182 1.00 0.00 N ATOM 329 CA MET A 25 -1.515 -7.491 2.418 1.00 0.00 C ATOM 330 C MET A 25 -2.882 -7.901 2.957 1.00 0.00 C ATOM 331 O MET A 25 -3.787 -8.238 2.193 1.00 0.00 O ATOM 332 CB MET A 25 -1.683 -6.689 1.125 1.00 0.00 C ATOM 333 CG MET A 25 -0.367 -6.351 0.445 1.00 0.00 C ATOM 334 SD MET A 25 0.219 -7.672 -0.634 1.00 0.00 S ATOM 335 CE MET A 25 -0.492 -7.170 -2.200 1.00 0.00 C ATOM 0 H MET A 25 -0.711 -9.020 1.228 1.00 0.00 H new ATOM 0 HA MET A 25 -1.023 -6.866 3.163 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.305 -7.257 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.216 -5.764 1.347 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.488 -5.438 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.388 -6.146 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.730 -8.054 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.402 -6.599 -2.020 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.223 -6.552 -2.743 1.00 0.00 H new ATOM 345 N THR A 26 -3.026 -7.868 4.278 1.00 0.00 N ATOM 346 CA THR A 26 -4.281 -8.237 4.919 1.00 0.00 C ATOM 347 C THR A 26 -5.469 -7.587 4.218 1.00 0.00 C ATOM 348 O THR A 26 -6.495 -8.228 3.991 1.00 0.00 O ATOM 349 CB THR A 26 -4.293 -7.834 6.405 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.529 -8.227 7.011 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.102 -6.332 6.559 1.00 0.00 C ATOM 0 H THR A 26 -2.288 -7.589 4.925 1.00 0.00 H new ATOM 0 HA THR A 26 -4.367 -9.321 4.844 1.00 0.00 H new ATOM 0 HB THR A 26 -3.468 -8.343 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.527 -7.968 7.956 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.114 -6.070 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.146 -6.040 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.909 -5.808 6.047 1.00 0.00 H new ATOM 359 N ASP A 27 -5.321 -6.311 3.877 1.00 0.00 N ATOM 360 CA ASP A 27 -6.382 -5.574 3.200 1.00 0.00 C ATOM 361 C ASP A 27 -5.854 -4.897 1.939 1.00 0.00 C ATOM 362 O ASP A 27 -5.580 -3.697 1.935 1.00 0.00 O ATOM 363 CB ASP A 27 -6.987 -4.530 4.139 1.00 0.00 C ATOM 364 CG ASP A 27 -7.641 -5.155 5.356 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.724 -5.756 5.203 1.00 0.00 O ATOM 366 OD2 ASP A 27 -7.070 -5.042 6.461 1.00 0.00 O ATOM 0 H ASP A 27 -4.478 -5.766 4.058 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.157 -6.284 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.207 -3.841 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.726 -3.941 3.595 1.00 0.00 H new ATOM 371 N ALA A 28 -5.712 -5.675 0.871 1.00 0.00 N ATOM 372 CA ALA A 28 -5.218 -5.151 -0.396 1.00 0.00 C ATOM 373 C ALA A 28 -5.852 -3.802 -0.717 1.00 0.00 C ATOM 374 O ALA A 28 -7.064 -3.630 -0.593 1.00 0.00 O ATOM 375 CB ALA A 28 -5.485 -6.142 -1.519 1.00 0.00 C ATOM 0 H ALA A 28 -5.932 -6.671 0.858 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.142 -5.005 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.110 -5.736 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.979 -7.083 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.558 -6.318 -1.602 1.00 0.00 H new ATOM 381 N VAL A 29 -5.024 -2.847 -1.129 1.00 0.00 N ATOM 382 CA VAL A 29 -5.504 -1.513 -1.468 1.00 0.00 C ATOM 383 C VAL A 29 -4.885 -1.020 -2.771 1.00 0.00 C ATOM 384 O VAL A 29 -3.665 -1.040 -2.938 1.00 0.00 O ATOM 385 CB VAL A 29 -5.189 -0.502 -0.349 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.079 -0.750 0.859 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.720 -0.574 0.035 1.00 0.00 C ATOM 0 H VAL A 29 -4.017 -2.973 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.585 -1.587 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.394 0.502 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.843 -0.027 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.124 -0.643 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.909 -1.759 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.515 0.147 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.485 -1.578 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.105 -0.343 -0.835 1.00 0.00 H new ATOM 397 N VAL A 30 -5.734 -0.577 -3.693 1.00 0.00 N ATOM 398 CA VAL A 30 -5.271 -0.078 -4.983 1.00 0.00 C ATOM 399 C VAL A 30 -5.316 1.445 -5.030 1.00 0.00 C ATOM 400 O VAL A 30 -6.363 2.052 -4.807 1.00 0.00 O ATOM 401 CB VAL A 30 -6.116 -0.642 -6.140 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.673 -0.044 -7.466 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.028 -2.160 -6.173 1.00 0.00 C ATOM 0 H VAL A 30 -6.746 -0.553 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.240 -0.412 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.157 -0.365 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.282 -0.455 -8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.794 1.039 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.625 -0.287 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.631 -2.542 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.990 -2.461 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.400 -2.567 -5.232 1.00 0.00 H new ATOM 413 N ILE A 31 -4.172 2.056 -5.323 1.00 0.00 N ATOM 414 CA ILE A 31 -4.081 3.509 -5.401 1.00 0.00 C ATOM 415 C ILE A 31 -4.517 4.014 -6.772 1.00 0.00 C ATOM 416 O ILE A 31 -4.126 3.480 -7.812 1.00 0.00 O ATOM 417 CB ILE A 31 -2.650 4.000 -5.117 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.679 5.412 -4.531 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.816 3.965 -6.389 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.387 5.812 -3.853 1.00 0.00 C ATOM 0 H ILE A 31 -3.296 1.568 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.751 3.908 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.191 3.334 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.897 6.123 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.494 5.481 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.807 4.315 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.772 2.944 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.271 4.611 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.480 6.825 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.178 5.124 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.571 5.776 -4.575 1.00 0.00 H new ATOM 432 N PRO A 32 -5.346 5.069 -6.779 1.00 0.00 N ATOM 433 CA PRO A 32 -5.851 5.671 -8.016 1.00 0.00 C ATOM 434 C PRO A 32 -4.760 6.399 -8.795 1.00 0.00 C ATOM 435 O PRO A 32 -4.590 6.182 -9.995 1.00 0.00 O ATOM 436 CB PRO A 32 -6.908 6.662 -7.523 1.00 0.00 C ATOM 437 CG PRO A 32 -6.491 6.999 -6.133 1.00 0.00 C ATOM 438 CD PRO A 32 -5.852 5.755 -5.579 1.00 0.00 C ATOM 0 HA PRO A 32 -6.239 4.921 -8.705 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.942 7.551 -8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.904 6.220 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.790 7.833 -6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.348 7.299 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.048 5.992 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.571 5.140 -5.038 1.00 0.00 H new ATOM 446 N CYS A 33 -4.023 7.262 -8.103 1.00 0.00 N ATOM 447 CA CYS A 33 -2.947 8.022 -8.729 1.00 0.00 C ATOM 448 C CYS A 33 -2.326 7.238 -9.882 1.00 0.00 C ATOM 449 O CYS A 33 -2.201 7.746 -10.997 1.00 0.00 O ATOM 450 CB CYS A 33 -1.873 8.370 -7.698 1.00 0.00 C ATOM 451 SG CYS A 33 -1.082 6.919 -6.929 1.00 0.00 S ATOM 0 H CYS A 33 -4.151 7.452 -7.109 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.371 8.944 -9.127 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.106 8.976 -8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.320 8.984 -6.916 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.387 6.280 -7.822 1.00 0.00 H new ATOM 456 N CYS A 34 -1.939 5.997 -9.605 1.00 0.00 N ATOM 457 CA CYS A 34 -1.330 5.142 -10.617 1.00 0.00 C ATOM 458 C CYS A 34 -1.929 3.739 -10.574 1.00 0.00 C ATOM 459 O CYS A 34 -2.433 3.237 -11.579 1.00 0.00 O ATOM 460 CB CYS A 34 0.183 5.068 -10.408 1.00 0.00 C ATOM 461 SG CYS A 34 0.680 4.487 -8.755 1.00 0.00 S ATOM 0 H CYS A 34 -2.036 5.561 -8.688 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.534 5.576 -11.596 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.610 4.403 -11.158 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.611 6.056 -10.577 1.00 0.00 H new ATOM 0 HG CYS A 34 1.094 3.257 -8.834 1.00 0.00 H new ATOM 466 N GLY A 35 -1.872 3.111 -9.405 1.00 0.00 N ATOM 467 CA GLY A 35 -2.412 1.773 -9.252 1.00 0.00 C ATOM 468 C GLY A 35 -1.368 0.775 -8.791 1.00 0.00 C ATOM 469 O GLY A 35 -0.514 0.356 -9.571 1.00 0.00 O ATOM 0 H GLY A 35 -1.461 3.505 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.231 1.795 -8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.831 1.443 -10.203 1.00 0.00 H new ATOM 473 N ASN A 36 -1.436 0.395 -7.520 1.00 0.00 N ATOM 474 CA ASN A 36 -0.488 -0.559 -6.955 1.00 0.00 C ATOM 475 C ASN A 36 -1.036 -1.176 -5.672 1.00 0.00 C ATOM 476 O ASN A 36 -1.890 -0.591 -5.006 1.00 0.00 O ATOM 477 CB ASN A 36 0.850 0.127 -6.673 1.00 0.00 C ATOM 478 CG ASN A 36 1.708 0.254 -7.917 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.789 1.464 -8.459 1.00 0.00 O flip ATOM 480 ND2 ASN A 36 2.292 -0.723 -8.384 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.138 0.733 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.335 -1.355 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.667 1.118 -6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.393 -0.439 -5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.201 -1.634 -7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.867 -0.622 -9.221 1.00 0.00 H new ATOM 487 N SER A 37 -0.539 -2.361 -5.333 1.00 0.00 N ATOM 488 CA SER A 37 -0.981 -3.060 -4.132 1.00 0.00 C ATOM 489 C SER A 37 -0.023 -2.805 -2.972 1.00 0.00 C ATOM 490 O SER A 37 1.187 -2.990 -3.100 1.00 0.00 O ATOM 491 CB SER A 37 -1.087 -4.563 -4.400 1.00 0.00 C ATOM 492 OG SER A 37 0.115 -5.068 -4.955 1.00 0.00 O ATOM 0 H SER A 37 0.170 -2.857 -5.873 1.00 0.00 H new ATOM 0 HA SER A 37 -1.964 -2.677 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.310 -5.086 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.915 -4.757 -5.081 1.00 0.00 H new ATOM 0 HG SER A 37 0.866 -4.501 -4.681 1.00 0.00 H new ATOM 498 N TYR A 38 -0.574 -2.382 -1.840 1.00 0.00 N ATOM 499 CA TYR A 38 0.231 -2.099 -0.657 1.00 0.00 C ATOM 500 C TYR A 38 -0.542 -2.425 0.618 1.00 0.00 C ATOM 501 O TYR A 38 -1.770 -2.328 0.656 1.00 0.00 O ATOM 502 CB TYR A 38 0.660 -0.631 -0.646 1.00 0.00 C ATOM 503 CG TYR A 38 1.517 -0.241 -1.829 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.768 -0.813 -2.024 1.00 0.00 C ATOM 505 CD2 TYR A 38 1.075 0.698 -2.753 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.554 -0.459 -3.104 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.854 1.057 -3.835 1.00 0.00 C ATOM 508 CZ TYR A 38 3.093 0.476 -4.007 1.00 0.00 C ATOM 509 OH TYR A 38 3.873 0.830 -5.083 1.00 0.00 O ATOM 0 H TYR A 38 -1.575 -2.227 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 38 1.119 -2.730 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.230 -0.001 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.210 -0.429 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.132 -1.546 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.105 1.155 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.525 -0.912 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.495 1.789 -4.543 1.00 0.00 H new ATOM 0 HH TYR A 38 3.718 1.772 -5.304 1.00 0.00 H new ATOM 519 N CYS A 39 0.185 -2.811 1.660 1.00 0.00 N ATOM 520 CA CYS A 39 -0.428 -3.151 2.937 1.00 0.00 C ATOM 521 C CYS A 39 -1.161 -1.949 3.526 1.00 0.00 C ATOM 522 O CYS A 39 -0.655 -0.826 3.501 1.00 0.00 O ATOM 523 CB CYS A 39 0.634 -3.647 3.921 1.00 0.00 C ATOM 524 SG CYS A 39 1.641 -5.028 3.293 1.00 0.00 S ATOM 0 H CYS A 39 1.201 -2.896 1.645 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.152 -3.947 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.293 -2.817 4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.143 -3.959 4.843 1.00 0.00 H new ATOM 0 HG CYS A 39 2.353 -4.622 2.284 1.00 0.00 H new ATOM 529 N ASP A 40 -2.355 -2.192 4.057 1.00 0.00 N ATOM 530 CA ASP A 40 -3.157 -1.131 4.653 1.00 0.00 C ATOM 531 C ASP A 40 -2.269 -0.104 5.348 1.00 0.00 C ATOM 532 O ASP A 40 -2.544 1.096 5.309 1.00 0.00 O ATOM 533 CB ASP A 40 -4.156 -1.717 5.651 1.00 0.00 C ATOM 534 CG ASP A 40 -4.600 -0.705 6.689 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.744 -0.251 7.477 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.802 -0.369 6.715 1.00 0.00 O ATOM 0 H ASP A 40 -2.788 -3.115 4.086 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.704 -0.631 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.028 -2.087 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.704 -2.573 6.152 1.00 0.00 H new ATOM 541 N GLU A 41 -1.204 -0.582 5.983 1.00 0.00 N ATOM 542 CA GLU A 41 -0.277 0.295 6.687 1.00 0.00 C ATOM 543 C GLU A 41 0.816 0.798 5.750 1.00 0.00 C ATOM 544 O GLU A 41 1.145 1.985 5.740 1.00 0.00 O ATOM 545 CB GLU A 41 0.351 -0.438 7.875 1.00 0.00 C ATOM 546 CG GLU A 41 0.784 0.487 9.000 1.00 0.00 C ATOM 547 CD GLU A 41 -0.277 1.509 9.357 1.00 0.00 C ATOM 548 OE1 GLU A 41 -0.271 2.605 8.758 1.00 0.00 O ATOM 549 OE2 GLU A 41 -1.115 1.213 10.235 1.00 0.00 O ATOM 0 H GLU A 41 -0.962 -1.572 6.024 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.839 1.154 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.366 -1.161 8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.216 -1.003 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.022 -0.107 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.698 1.005 8.708 1.00 0.00 H new ATOM 556 N CYS A 42 1.377 -0.114 4.962 1.00 0.00 N ATOM 557 CA CYS A 42 2.434 0.235 4.020 1.00 0.00 C ATOM 558 C CYS A 42 2.102 1.531 3.285 1.00 0.00 C ATOM 559 O CYS A 42 2.927 2.442 3.210 1.00 0.00 O ATOM 560 CB CYS A 42 2.641 -0.897 3.012 1.00 0.00 C ATOM 561 SG CYS A 42 3.844 -2.156 3.546 1.00 0.00 S ATOM 0 H CYS A 42 1.117 -1.100 4.957 1.00 0.00 H new ATOM 0 HA CYS A 42 3.355 0.384 4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.683 -1.382 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.973 -0.470 2.066 1.00 0.00 H new ATOM 0 HG CYS A 42 3.272 -3.323 3.564 1.00 0.00 H new ATOM 566 N ILE A 43 0.891 1.604 2.744 1.00 0.00 N ATOM 567 CA ILE A 43 0.451 2.788 2.016 1.00 0.00 C ATOM 568 C ILE A 43 0.115 3.928 2.973 1.00 0.00 C ATOM 569 O ILE A 43 0.412 5.090 2.697 1.00 0.00 O ATOM 570 CB ILE A 43 -0.782 2.486 1.144 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.177 3.724 0.336 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.942 2.017 2.008 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.223 4.038 -0.795 1.00 0.00 C ATOM 0 H ILE A 43 0.197 0.858 2.796 1.00 0.00 H new ATOM 0 HA ILE A 43 1.278 3.088 1.372 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.529 1.686 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.177 3.577 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.230 4.583 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.805 1.808 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.655 1.111 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.198 2.795 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.566 4.927 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.773 4.217 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.188 3.196 -1.486 1.00 0.00 H new ATOM 585 N ARG A 44 -0.504 3.586 4.098 1.00 0.00 N ATOM 586 CA ARG A 44 -0.880 4.580 5.096 1.00 0.00 C ATOM 587 C ARG A 44 0.330 5.409 5.518 1.00 0.00 C ATOM 588 O ARG A 44 0.324 6.636 5.410 1.00 0.00 O ATOM 589 CB ARG A 44 -1.497 3.898 6.318 1.00 0.00 C ATOM 590 CG ARG A 44 -1.697 4.834 7.501 1.00 0.00 C ATOM 591 CD ARG A 44 -2.802 5.843 7.231 1.00 0.00 C ATOM 592 NE ARG A 44 -4.103 5.202 7.070 1.00 0.00 N ATOM 593 CZ ARG A 44 -5.258 5.809 7.316 1.00 0.00 C ATOM 594 NH1 ARG A 44 -5.272 7.069 7.730 1.00 0.00 N ATOM 595 NH2 ARG A 44 -6.401 5.159 7.146 1.00 0.00 N ATOM 0 H ARG A 44 -0.756 2.628 4.341 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.618 5.247 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.459 3.470 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.857 3.071 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.943 4.252 8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.766 5.360 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.849 6.557 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.563 6.409 6.331 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.126 4.234 6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.395 7.573 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.160 7.534 7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.394 4.191 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.287 5.627 7.336 1.00 0.00 H new ATOM 609 N THR A 45 1.366 4.731 6.002 1.00 0.00 N ATOM 610 CA THR A 45 2.581 5.405 6.443 1.00 0.00 C ATOM 611 C THR A 45 3.229 6.175 5.298 1.00 0.00 C ATOM 612 O THR A 45 3.454 7.380 5.397 1.00 0.00 O ATOM 613 CB THR A 45 3.601 4.404 7.017 1.00 0.00 C ATOM 614 OG1 THR A 45 2.996 3.631 8.059 1.00 0.00 O ATOM 615 CG2 THR A 45 4.823 5.129 7.560 1.00 0.00 C ATOM 0 H THR A 45 1.388 3.716 6.099 1.00 0.00 H new ATOM 0 HA THR A 45 2.289 6.104 7.227 1.00 0.00 H new ATOM 0 HB THR A 45 3.919 3.741 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.651 2.996 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.530 4.402 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.298 5.693 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.518 5.813 8.352 1.00 0.00 H new ATOM 623 N ALA A 46 3.526 5.470 4.211 1.00 0.00 N ATOM 624 CA ALA A 46 4.147 6.088 3.046 1.00 0.00 C ATOM 625 C ALA A 46 3.623 7.504 2.831 1.00 0.00 C ATOM 626 O ALA A 46 4.395 8.462 2.792 1.00 0.00 O ATOM 627 CB ALA A 46 3.903 5.239 1.806 1.00 0.00 C ATOM 0 H ALA A 46 3.347 4.471 4.113 1.00 0.00 H new ATOM 0 HA ALA A 46 5.220 6.149 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.372 5.712 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.331 4.248 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.831 5.149 1.632 1.00 0.00 H new ATOM 633 N LEU A 47 2.308 7.629 2.693 1.00 0.00 N ATOM 634 CA LEU A 47 1.681 8.929 2.483 1.00 0.00 C ATOM 635 C LEU A 47 2.124 9.927 3.548 1.00 0.00 C ATOM 636 O LEU A 47 2.440 11.078 3.244 1.00 0.00 O ATOM 637 CB LEU A 47 0.157 8.791 2.499 1.00 0.00 C ATOM 638 CG LEU A 47 -0.445 7.883 1.427 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.948 7.747 1.627 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.136 8.419 0.037 1.00 0.00 C ATOM 0 H LEU A 47 1.655 6.846 2.723 1.00 0.00 H new ATOM 0 HA LEU A 47 1.996 9.303 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.144 8.414 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.279 9.784 2.392 1.00 0.00 H new ATOM 0 HG LEU A 47 0.005 6.895 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.360 7.097 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.147 7.316 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.414 8.730 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.573 7.759 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.557 9.419 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.944 8.464 -0.104 1.00 0.00 H new ATOM 652 N LEU A 48 2.146 9.478 4.798 1.00 0.00 N ATOM 653 CA LEU A 48 2.553 10.331 5.910 1.00 0.00 C ATOM 654 C LEU A 48 4.034 10.684 5.811 1.00 0.00 C ATOM 655 O LEU A 48 4.398 11.858 5.747 1.00 0.00 O ATOM 656 CB LEU A 48 2.271 9.635 7.243 1.00 0.00 C ATOM 657 CG LEU A 48 0.844 9.122 7.442 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.735 8.343 8.744 1.00 0.00 C ATOM 659 CD2 LEU A 48 -0.145 10.276 7.425 1.00 0.00 C ATOM 0 H LEU A 48 1.887 8.529 5.067 1.00 0.00 H new ATOM 0 HA LEU A 48 1.974 11.253 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.956 8.793 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.502 10.331 8.050 1.00 0.00 H new ATOM 0 HG LEU A 48 0.601 8.451 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.287 7.985 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.416 7.493 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.997 8.992 9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.155 9.892 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.095 10.973 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.085 10.792 6.467 1.00 0.00 H new ATOM 671 N GLU A 49 4.882 9.661 5.798 1.00 0.00 N ATOM 672 CA GLU A 49 6.323 9.864 5.707 1.00 0.00 C ATOM 673 C GLU A 49 6.651 11.005 4.747 1.00 0.00 C ATOM 674 O GLU A 49 7.338 11.958 5.112 1.00 0.00 O ATOM 675 CB GLU A 49 7.013 8.580 5.243 1.00 0.00 C ATOM 676 CG GLU A 49 7.260 7.583 6.364 1.00 0.00 C ATOM 677 CD GLU A 49 8.492 7.918 7.182 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.518 8.298 6.580 1.00 0.00 O ATOM 679 OE2 GLU A 49 8.430 7.799 8.423 1.00 0.00 O ATOM 0 H GLU A 49 4.596 8.683 5.849 1.00 0.00 H new ATOM 0 HA GLU A 49 6.691 10.128 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.402 8.106 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.966 8.836 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.390 7.556 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.370 6.585 5.940 1.00 0.00 H new ATOM 686 N SER A 50 6.154 10.899 3.519 1.00 0.00 N ATOM 687 CA SER A 50 6.397 11.918 2.505 1.00 0.00 C ATOM 688 C SER A 50 5.855 13.271 2.955 1.00 0.00 C ATOM 689 O SER A 50 5.086 13.357 3.914 1.00 0.00 O ATOM 690 CB SER A 50 5.753 11.512 1.179 1.00 0.00 C ATOM 691 OG SER A 50 4.403 11.123 1.366 1.00 0.00 O ATOM 0 H SER A 50 5.580 10.117 3.202 1.00 0.00 H new ATOM 0 HA SER A 50 7.474 12.006 2.364 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.801 12.345 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.314 10.689 0.736 1.00 0.00 H new ATOM 0 HG SER A 50 4.094 11.427 2.245 1.00 0.00 H new ATOM 697 N ASP A 51 6.258 14.326 2.255 1.00 0.00 N ATOM 698 CA ASP A 51 5.813 15.676 2.580 1.00 0.00 C ATOM 699 C ASP A 51 4.309 15.818 2.364 1.00 0.00 C ATOM 700 O ASP A 51 3.562 16.091 3.304 1.00 0.00 O ATOM 701 CB ASP A 51 6.562 16.702 1.728 1.00 0.00 C ATOM 702 CG ASP A 51 8.022 16.340 1.536 1.00 0.00 C ATOM 703 OD1 ASP A 51 8.771 16.344 2.536 1.00 0.00 O ATOM 704 OD2 ASP A 51 8.416 16.052 0.386 1.00 0.00 O ATOM 0 H ASP A 51 6.893 14.272 1.458 1.00 0.00 H new ATOM 0 HA ASP A 51 6.031 15.861 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.080 16.783 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.493 17.682 2.200 1.00 0.00 H new ATOM 709 N GLU A 52 3.875 15.632 1.122 1.00 0.00 N ATOM 710 CA GLU A 52 2.460 15.742 0.784 1.00 0.00 C ATOM 711 C GLU A 52 1.957 14.461 0.125 1.00 0.00 C ATOM 712 O GLU A 52 1.662 14.439 -1.071 1.00 0.00 O ATOM 713 CB GLU A 52 2.227 16.934 -0.147 1.00 0.00 C ATOM 714 CG GLU A 52 3.084 16.904 -1.400 1.00 0.00 C ATOM 715 CD GLU A 52 4.410 17.616 -1.218 1.00 0.00 C ATOM 716 OE1 GLU A 52 4.442 18.631 -0.492 1.00 0.00 O ATOM 717 OE2 GLU A 52 5.415 17.158 -1.802 1.00 0.00 O ATOM 0 H GLU A 52 4.481 15.405 0.334 1.00 0.00 H new ATOM 0 HA GLU A 52 1.903 15.897 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.176 16.958 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.429 17.856 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.268 15.868 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.537 17.368 -2.221 1.00 0.00 H new ATOM 724 N HIS A 53 1.863 13.395 0.912 1.00 0.00 N ATOM 725 CA HIS A 53 1.396 12.109 0.406 1.00 0.00 C ATOM 726 C HIS A 53 1.950 11.841 -0.991 1.00 0.00 C ATOM 727 O HIS A 53 1.235 11.368 -1.874 1.00 0.00 O ATOM 728 CB HIS A 53 -0.133 12.073 0.375 1.00 0.00 C ATOM 729 CG HIS A 53 -0.768 12.552 1.645 1.00 0.00 C ATOM 730 ND1 HIS A 53 -1.807 13.459 1.671 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.508 12.243 2.936 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.156 13.688 2.924 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.383 12.962 3.712 1.00 0.00 N ATOM 0 H HIS A 53 2.104 13.396 1.903 1.00 0.00 H new ATOM 0 HA HIS A 53 1.757 11.330 1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.486 12.688 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.461 11.052 0.177 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.248 11.558 3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.940 14.355 3.249 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.429 12.939 4.731 1.00 0.00 H new ATOM 741 N THR A 54 3.229 12.149 -1.184 1.00 0.00 N ATOM 742 CA THR A 54 3.878 11.944 -2.472 1.00 0.00 C ATOM 743 C THR A 54 4.038 10.459 -2.777 1.00 0.00 C ATOM 744 O THR A 54 4.955 9.806 -2.276 1.00 0.00 O ATOM 745 CB THR A 54 5.263 12.617 -2.517 1.00 0.00 C ATOM 746 OG1 THR A 54 5.155 13.987 -2.112 1.00 0.00 O ATOM 747 CG2 THR A 54 5.857 12.541 -3.915 1.00 0.00 C ATOM 0 H THR A 54 3.835 12.541 -0.464 1.00 0.00 H new ATOM 0 HA THR A 54 3.236 12.400 -3.225 1.00 0.00 H new ATOM 0 HB THR A 54 5.923 12.086 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.040 14.408 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.835 13.023 -3.922 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.965 11.497 -4.208 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.197 13.049 -4.619 1.00 0.00 H new ATOM 755 N CYS A 55 3.142 9.929 -3.602 1.00 0.00 N ATOM 756 CA CYS A 55 3.183 8.520 -3.975 1.00 0.00 C ATOM 757 C CYS A 55 4.612 8.080 -4.280 1.00 0.00 C ATOM 758 O CYS A 55 5.351 8.747 -5.005 1.00 0.00 O ATOM 759 CB CYS A 55 2.288 8.266 -5.189 1.00 0.00 C ATOM 760 SG CYS A 55 2.266 6.531 -5.747 1.00 0.00 S ATOM 0 H CYS A 55 2.377 10.455 -4.026 1.00 0.00 H new ATOM 0 HA CYS A 55 2.814 7.935 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.270 8.572 -4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.623 8.897 -6.012 1.00 0.00 H new ATOM 0 HG CYS A 55 1.111 6.261 -6.280 1.00 0.00 H new ATOM 765 N PRO A 56 5.011 6.930 -3.718 1.00 0.00 N ATOM 766 CA PRO A 56 6.352 6.374 -3.917 1.00 0.00 C ATOM 767 C PRO A 56 6.564 5.865 -5.338 1.00 0.00 C ATOM 768 O PRO A 56 7.691 5.822 -5.833 1.00 0.00 O ATOM 769 CB PRO A 56 6.407 5.214 -2.920 1.00 0.00 C ATOM 770 CG PRO A 56 4.985 4.817 -2.720 1.00 0.00 C ATOM 771 CD PRO A 56 4.182 6.083 -2.844 1.00 0.00 C ATOM 0 HA PRO A 56 7.130 7.122 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.998 4.385 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.868 5.521 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.676 4.084 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.842 4.358 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.201 5.895 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.015 6.550 -1.873 1.00 0.00 H new ATOM 779 N THR A 57 5.473 5.479 -5.993 1.00 0.00 N ATOM 780 CA THR A 57 5.540 4.971 -7.358 1.00 0.00 C ATOM 781 C THR A 57 5.569 6.114 -8.367 1.00 0.00 C ATOM 782 O THR A 57 6.505 6.231 -9.160 1.00 0.00 O ATOM 783 CB THR A 57 4.344 4.053 -7.674 1.00 0.00 C ATOM 784 OG1 THR A 57 4.165 3.101 -6.620 1.00 0.00 O ATOM 785 CG2 THR A 57 4.557 3.324 -8.992 1.00 0.00 C ATOM 0 H THR A 57 4.532 5.509 -5.600 1.00 0.00 H new ATOM 0 HA THR A 57 6.462 4.395 -7.438 1.00 0.00 H new ATOM 0 HB THR A 57 3.451 4.672 -7.759 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.341 2.199 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.700 2.682 -9.195 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.664 4.051 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.460 2.716 -8.930 1.00 0.00 H new ATOM 793 N CYS A 58 4.541 6.954 -8.334 1.00 0.00 N ATOM 794 CA CYS A 58 4.449 8.088 -9.246 1.00 0.00 C ATOM 795 C CYS A 58 4.421 9.405 -8.476 1.00 0.00 C ATOM 796 O CYS A 58 4.379 9.416 -7.245 1.00 0.00 O ATOM 797 CB CYS A 58 3.199 7.967 -10.119 1.00 0.00 C ATOM 798 SG CYS A 58 1.632 8.101 -9.196 1.00 0.00 S ATOM 0 H CYS A 58 3.759 6.871 -7.685 1.00 0.00 H new ATOM 0 HA CYS A 58 5.332 8.081 -9.885 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.226 8.744 -10.883 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.222 7.009 -10.638 1.00 0.00 H new ATOM 0 HG CYS A 58 1.780 7.583 -8.013 1.00 0.00 H new ATOM 803 N HIS A 59 4.443 10.513 -9.210 1.00 0.00 N ATOM 804 CA HIS A 59 4.419 11.837 -8.595 1.00 0.00 C ATOM 805 C HIS A 59 2.984 12.321 -8.408 1.00 0.00 C ATOM 806 O HIS A 59 2.333 12.744 -9.362 1.00 0.00 O ATOM 807 CB HIS A 59 5.200 12.834 -9.453 1.00 0.00 C ATOM 808 CG HIS A 59 6.675 12.822 -9.192 1.00 0.00 C ATOM 809 ND1 HIS A 59 7.490 13.906 -9.434 1.00 0.00 N ATOM 810 CD2 HIS A 59 7.479 11.848 -8.706 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.733 13.600 -9.110 1.00 0.00 C ATOM 812 NE2 HIS A 59 8.754 12.357 -8.665 1.00 0.00 N ATOM 0 H HIS A 59 4.477 10.521 -10.229 1.00 0.00 H new ATOM 0 HA HIS A 59 4.890 11.766 -7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.024 12.611 -10.505 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.815 13.837 -9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.175 10.856 -8.406 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.587 14.255 -9.195 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.582 11.856 -8.343 1.00 0.00 H new ATOM 820 N GLN A 60 2.501 12.258 -7.171 1.00 0.00 N ATOM 821 CA GLN A 60 1.144 12.691 -6.860 1.00 0.00 C ATOM 822 C GLN A 60 1.156 13.889 -5.917 1.00 0.00 C ATOM 823 O GLN A 60 2.202 14.262 -5.386 1.00 0.00 O ATOM 824 CB GLN A 60 0.352 11.541 -6.233 1.00 0.00 C ATOM 825 CG GLN A 60 -1.145 11.625 -6.487 1.00 0.00 C ATOM 826 CD GLN A 60 -1.476 11.902 -7.940 1.00 0.00 C ATOM 827 OE1 GLN A 60 -0.874 11.327 -8.847 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.438 12.789 -8.170 1.00 0.00 N ATOM 0 H GLN A 60 3.028 11.912 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 60 0.663 12.991 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.727 10.596 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.530 11.532 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.614 10.689 -6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.572 12.412 -5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.911 13.242 -7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.703 13.017 -9.128 1.00 0.00 H new ATOM 837 N ASN A 61 -0.012 14.488 -5.714 1.00 0.00 N ATOM 838 CA ASN A 61 -0.134 15.646 -4.836 1.00 0.00 C ATOM 839 C ASN A 61 -1.310 15.480 -3.878 1.00 0.00 C ATOM 840 O ASN A 61 -2.455 15.767 -4.228 1.00 0.00 O ATOM 841 CB ASN A 61 -0.311 16.922 -5.661 1.00 0.00 C ATOM 842 CG ASN A 61 0.376 16.838 -7.010 1.00 0.00 C ATOM 843 OD1 ASN A 61 1.563 17.142 -7.135 1.00 0.00 O ATOM 844 ND2 ASN A 61 -0.368 16.425 -8.029 1.00 0.00 N ATOM 0 H ASN A 61 -0.887 14.191 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 61 0.782 15.724 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.374 17.111 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.089 17.770 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.040 16.349 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.348 16.183 -7.880 1.00 0.00 H new ATOM 851 N ASP A 62 -1.018 15.016 -2.667 1.00 0.00 N ATOM 852 CA ASP A 62 -2.051 14.813 -1.657 1.00 0.00 C ATOM 853 C ASP A 62 -2.987 13.678 -2.058 1.00 0.00 C ATOM 854 O ASP A 62 -4.207 13.846 -2.086 1.00 0.00 O ATOM 855 CB ASP A 62 -2.850 16.101 -1.448 1.00 0.00 C ATOM 856 CG ASP A 62 -3.525 16.149 -0.091 1.00 0.00 C ATOM 857 OD1 ASP A 62 -4.297 15.220 0.219 1.00 0.00 O ATOM 858 OD2 ASP A 62 -3.280 17.118 0.659 1.00 0.00 O ATOM 0 H ASP A 62 -0.076 14.774 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.562 14.543 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.185 16.959 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.605 16.188 -2.229 1.00 0.00 H new ATOM 863 N VAL A 63 -2.409 12.523 -2.369 1.00 0.00 N ATOM 864 CA VAL A 63 -3.192 11.359 -2.768 1.00 0.00 C ATOM 865 C VAL A 63 -4.412 11.183 -1.871 1.00 0.00 C ATOM 866 O VAL A 63 -4.332 11.358 -0.656 1.00 0.00 O ATOM 867 CB VAL A 63 -2.347 10.072 -2.724 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.182 8.870 -3.139 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.119 10.210 -3.612 1.00 0.00 C ATOM 0 H VAL A 63 -1.401 12.368 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.520 11.535 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.011 9.914 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.568 7.970 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.027 8.761 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.550 9.016 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.534 9.292 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.432 10.393 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.510 11.045 -3.264 1.00 0.00 H new ATOM 879 N SER A 64 -5.542 10.836 -2.480 1.00 0.00 N ATOM 880 CA SER A 64 -6.781 10.639 -1.737 1.00 0.00 C ATOM 881 C SER A 64 -6.817 9.255 -1.096 1.00 0.00 C ATOM 882 O SER A 64 -6.914 8.232 -1.774 1.00 0.00 O ATOM 883 CB SER A 64 -7.988 10.818 -2.660 1.00 0.00 C ATOM 884 OG SER A 64 -8.199 12.186 -2.964 1.00 0.00 O ATOM 0 H SER A 64 -5.625 10.686 -3.485 1.00 0.00 H new ATOM 0 HA SER A 64 -6.824 11.387 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.831 10.257 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.878 10.407 -2.184 1.00 0.00 H new ATOM 0 HG SER A 64 -8.975 12.274 -3.556 1.00 0.00 H new ATOM 890 N PRO A 65 -6.737 9.221 0.243 1.00 0.00 N ATOM 891 CA PRO A 65 -6.758 7.970 1.005 1.00 0.00 C ATOM 892 C PRO A 65 -8.124 7.294 0.972 1.00 0.00 C ATOM 893 O PRO A 65 -8.271 6.148 1.397 1.00 0.00 O ATOM 894 CB PRO A 65 -6.416 8.417 2.429 1.00 0.00 C ATOM 895 CG PRO A 65 -6.843 9.842 2.491 1.00 0.00 C ATOM 896 CD PRO A 65 -6.619 10.402 1.114 1.00 0.00 C ATOM 0 HA PRO A 65 -6.067 7.232 0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.941 7.814 3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.350 8.314 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.891 9.923 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.264 10.391 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.359 11.162 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.639 10.871 1.025 1.00 0.00 H new ATOM 904 N ASP A 66 -9.122 8.011 0.466 1.00 0.00 N ATOM 905 CA ASP A 66 -10.477 7.480 0.377 1.00 0.00 C ATOM 906 C ASP A 66 -10.596 6.487 -0.774 1.00 0.00 C ATOM 907 O ASP A 66 -11.113 5.383 -0.603 1.00 0.00 O ATOM 908 CB ASP A 66 -11.482 8.618 0.192 1.00 0.00 C ATOM 909 CG ASP A 66 -10.954 9.716 -0.712 1.00 0.00 C ATOM 910 OD1 ASP A 66 -11.046 9.562 -1.948 1.00 0.00 O ATOM 911 OD2 ASP A 66 -10.451 10.728 -0.183 1.00 0.00 O ATOM 0 H ASP A 66 -9.018 8.962 0.111 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.699 6.958 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.405 8.219 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.731 9.041 1.165 1.00 0.00 H new ATOM 916 N ALA A 67 -10.117 6.888 -1.947 1.00 0.00 N ATOM 917 CA ALA A 67 -10.168 6.032 -3.126 1.00 0.00 C ATOM 918 C ALA A 67 -9.751 4.605 -2.788 1.00 0.00 C ATOM 919 O ALA A 67 -10.389 3.642 -3.217 1.00 0.00 O ATOM 920 CB ALA A 67 -9.282 6.596 -4.227 1.00 0.00 C ATOM 0 H ALA A 67 -9.689 7.800 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.198 6.007 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.330 5.947 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.628 7.594 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.253 6.652 -3.873 1.00 0.00 H new ATOM 926 N LEU A 68 -8.676 4.474 -2.018 1.00 0.00 N ATOM 927 CA LEU A 68 -8.173 3.163 -1.622 1.00 0.00 C ATOM 928 C LEU A 68 -9.322 2.187 -1.389 1.00 0.00 C ATOM 929 O LEU A 68 -10.437 2.591 -1.060 1.00 0.00 O ATOM 930 CB LEU A 68 -7.325 3.282 -0.355 1.00 0.00 C ATOM 931 CG LEU A 68 -6.205 4.322 -0.393 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.534 4.433 0.968 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.186 3.970 -1.466 1.00 0.00 C ATOM 0 H LEU A 68 -8.136 5.260 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.553 2.779 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.985 3.519 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.883 2.308 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.642 5.290 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.739 5.178 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.270 4.733 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.111 3.467 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.396 4.721 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.754 2.993 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.677 3.943 -2.439 1.00 0.00 H new ATOM 945 N SER A 69 -9.041 0.899 -1.560 1.00 0.00 N ATOM 946 CA SER A 69 -10.051 -0.136 -1.370 1.00 0.00 C ATOM 947 C SER A 69 -10.351 -0.335 0.112 1.00 0.00 C ATOM 948 O SER A 69 -9.457 -0.630 0.904 1.00 0.00 O ATOM 949 CB SER A 69 -9.583 -1.454 -1.990 1.00 0.00 C ATOM 950 OG SER A 69 -10.612 -2.427 -1.953 1.00 0.00 O ATOM 0 H SER A 69 -8.122 0.547 -1.830 1.00 0.00 H new ATOM 0 HA SER A 69 -10.966 0.186 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.274 -1.285 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.710 -1.823 -1.452 1.00 0.00 H new ATOM 0 HG SER A 69 -10.289 -3.260 -2.356 1.00 0.00 H new