USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -4.35! C(o=-4.4!,f=-5.4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= -0.851 (180deg=-2) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= -0.0331 (180deg=-2.09!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.208 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 140:sc= -2.59 (180deg=-7.32!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0685 USER MOD Single : A 52 ASN : amide:sc= -4.99 K(o=-5,f=-9.8!) USER MOD Single : A 55 MET CE :methyl 154:sc= -1.39 (180deg=-3.48!) USER MOD Single : A 60 GLN :FLIP amide:sc= -3.06! C(o=-3.7!,f=-3.1!) USER MOD Single : A 65 ASN : amide:sc= -1.27! C(o=-1.3!,f=-6.2!) USER MOD Single : A 72 MET CE :methyl -152:sc= -1.99 (180deg=-4.51!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.361 -3.968 -3.546 1.00 0.00 N ATOM 149 CA PHE A 13 9.791 -3.247 -2.353 1.00 0.00 C ATOM 150 C PHE A 13 8.589 -2.762 -1.548 1.00 0.00 C ATOM 151 O PHE A 13 7.484 -2.633 -2.076 1.00 0.00 O ATOM 152 CB PHE A 13 10.674 -2.058 -2.740 1.00 0.00 C ATOM 153 CG PHE A 13 9.913 -0.926 -3.369 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.320 0.048 -2.582 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.791 -0.836 -4.746 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.618 1.090 -3.158 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.091 0.204 -5.328 1.00 0.00 C ATOM 158 CZ PHE A 13 8.505 1.169 -4.532 1.00 0.00 C ATOM 0 HA PHE A 13 10.369 -3.933 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.186 -1.691 -1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.443 -2.398 -3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.407 -0.008 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.248 -1.588 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.158 1.842 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.002 0.262 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.959 1.984 -4.984 1.00 0.00 H new ATOM 168 N THR A 14 8.813 -2.494 -0.265 1.00 0.00 N ATOM 169 CA THR A 14 7.750 -2.025 0.615 1.00 0.00 C ATOM 170 C THR A 14 7.860 -0.524 0.857 1.00 0.00 C ATOM 171 O THR A 14 8.935 0.060 0.725 1.00 0.00 O ATOM 172 CB THR A 14 7.779 -2.756 1.970 1.00 0.00 C ATOM 173 OG1 THR A 14 9.063 -2.597 2.585 1.00 0.00 O ATOM 174 CG2 THR A 14 7.476 -4.236 1.793 1.00 0.00 C ATOM 0 H THR A 14 9.722 -2.594 0.188 1.00 0.00 H new ATOM 0 HA THR A 14 6.806 -2.242 0.115 1.00 0.00 H new ATOM 0 HB THR A 14 7.013 -2.319 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.073 -3.063 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.502 -4.731 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.486 -4.355 1.352 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.222 -4.684 1.137 1.00 0.00 H new ATOM 182 N VAL A 15 6.739 0.096 1.214 1.00 0.00 N ATOM 183 CA VAL A 15 6.710 1.530 1.477 1.00 0.00 C ATOM 184 C VAL A 15 6.408 1.813 2.944 1.00 0.00 C ATOM 185 O VAL A 15 5.625 1.104 3.576 1.00 0.00 O ATOM 186 CB VAL A 15 5.660 2.240 0.602 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.639 3.732 0.897 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.934 1.984 -0.872 1.00 0.00 C ATOM 0 H VAL A 15 5.840 -0.372 1.328 1.00 0.00 H new ATOM 0 HA VAL A 15 7.699 1.917 1.231 1.00 0.00 H new ATOM 0 HB VAL A 15 4.678 1.833 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.891 4.217 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.391 3.892 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.620 4.158 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.183 2.493 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.923 2.362 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.893 0.913 -1.069 1.00 0.00 H new ATOM 198 N ASP A 16 7.035 2.855 3.481 1.00 0.00 N ATOM 199 CA ASP A 16 6.832 3.234 4.874 1.00 0.00 C ATOM 200 C ASP A 16 6.646 4.742 5.005 1.00 0.00 C ATOM 201 O ASP A 16 7.554 5.518 4.709 1.00 0.00 O ATOM 202 CB ASP A 16 8.018 2.778 5.726 1.00 0.00 C ATOM 203 CG ASP A 16 7.817 3.068 7.201 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.800 2.609 7.762 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.676 3.755 7.793 1.00 0.00 O ATOM 0 H ASP A 16 7.688 3.451 2.972 1.00 0.00 H new ATOM 0 HA ASP A 16 5.927 2.742 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.171 1.708 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.923 3.277 5.381 1.00 0.00 H new ATOM 210 N MET A 17 5.462 5.150 5.451 1.00 0.00 N ATOM 211 CA MET A 17 5.156 6.566 5.621 1.00 0.00 C ATOM 212 C MET A 17 4.122 6.770 6.724 1.00 0.00 C ATOM 213 O MET A 17 3.549 5.809 7.234 1.00 0.00 O ATOM 214 CB MET A 17 4.644 7.161 4.308 1.00 0.00 C ATOM 215 CG MET A 17 5.145 6.430 3.073 1.00 0.00 C ATOM 216 SD MET A 17 4.595 7.200 1.539 1.00 0.00 S ATOM 217 CE MET A 17 2.835 7.340 1.842 1.00 0.00 C ATOM 0 H MET A 17 4.699 4.521 5.701 1.00 0.00 H new ATOM 0 HA MET A 17 6.074 7.078 5.909 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.554 7.145 4.312 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.948 8.206 4.250 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.234 6.401 3.090 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.798 5.397 3.101 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.323 7.580 0.910 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.456 6.395 2.231 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.653 8.131 2.570 1.00 0.00 H new ATOM 227 N GLU A 18 3.890 8.028 7.086 1.00 0.00 N ATOM 228 CA GLU A 18 2.925 8.357 8.129 1.00 0.00 C ATOM 229 C GLU A 18 1.780 9.193 7.566 1.00 0.00 C ATOM 230 O GLU A 18 1.797 9.588 6.400 1.00 0.00 O ATOM 231 CB GLU A 18 3.611 9.112 9.269 1.00 0.00 C ATOM 232 CG GLU A 18 4.112 8.208 10.383 1.00 0.00 C ATOM 233 CD GLU A 18 5.310 8.787 11.109 1.00 0.00 C ATOM 234 OE1 GLU A 18 5.367 10.025 11.266 1.00 0.00 O ATOM 235 OE2 GLU A 18 6.191 8.003 11.521 1.00 0.00 O ATOM 0 H GLU A 18 4.357 8.835 6.673 1.00 0.00 H new ATOM 0 HA GLU A 18 2.514 7.425 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.451 9.677 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.911 9.836 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.307 8.037 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.379 7.237 9.966 1.00 0.00 H new ATOM 242 N LYS A 19 0.783 9.460 8.404 1.00 0.00 N ATOM 243 CA LYS A 19 -0.371 10.250 7.993 1.00 0.00 C ATOM 244 C LYS A 19 -0.120 11.738 8.217 1.00 0.00 C ATOM 245 O LYS A 19 0.649 12.122 9.097 1.00 0.00 O ATOM 246 CB LYS A 19 -1.617 9.810 8.765 1.00 0.00 C ATOM 247 CG LYS A 19 -2.909 10.391 8.217 1.00 0.00 C ATOM 248 CD LYS A 19 -4.127 9.732 8.844 1.00 0.00 C ATOM 249 CE LYS A 19 -4.353 8.335 8.286 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.634 7.747 8.768 1.00 0.00 N ATOM 0 H LYS A 19 0.752 9.140 9.372 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.533 10.084 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.681 8.722 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.510 10.104 9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.936 11.464 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.939 10.258 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.996 9.677 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.009 10.346 8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.359 8.375 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.525 7.689 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.451 6.813 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.055 8.372 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.292 7.645 7.969 1.00 0.00 H new ATOM 330 N GLY A 25 -1.190 12.223 2.277 1.00 0.00 N ATOM 331 CA GLY A 25 -0.955 13.037 1.098 1.00 0.00 C ATOM 332 C GLY A 25 -0.752 12.202 -0.151 1.00 0.00 C ATOM 333 O GLY A 25 0.109 12.506 -0.976 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.801 13.708 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.077 13.662 1.261 1.00 0.00 H new ATOM 337 N PHE A 26 -1.545 11.145 -0.290 1.00 0.00 N ATOM 338 CA PHE A 26 -1.447 10.262 -1.446 1.00 0.00 C ATOM 339 C PHE A 26 -2.784 9.583 -1.727 1.00 0.00 C ATOM 340 O PHE A 26 -3.499 9.190 -0.805 1.00 0.00 O ATOM 341 CB PHE A 26 -0.364 9.206 -1.218 1.00 0.00 C ATOM 342 CG PHE A 26 -0.880 7.945 -0.587 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.770 7.128 -1.266 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.475 7.575 0.686 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.247 5.968 -0.688 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.948 6.414 1.269 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.835 5.609 0.581 1.00 0.00 C ATOM 0 H PHE A 26 -2.263 10.879 0.384 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.178 10.867 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.100 8.961 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.416 9.628 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.094 7.402 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.218 8.201 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.942 5.342 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.624 6.137 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.206 4.701 1.034 1.00 0.00 H new ATOM 357 N SER A 27 -3.116 9.448 -3.007 1.00 0.00 N ATOM 358 CA SER A 27 -4.369 8.820 -3.410 1.00 0.00 C ATOM 359 C SER A 27 -4.106 7.562 -4.232 1.00 0.00 C ATOM 360 O SER A 27 -2.991 7.339 -4.707 1.00 0.00 O ATOM 361 CB SER A 27 -5.219 9.803 -4.218 1.00 0.00 C ATOM 362 OG SER A 27 -6.438 9.207 -4.625 1.00 0.00 O ATOM 0 H SER A 27 -2.535 9.765 -3.783 1.00 0.00 H new ATOM 0 HA SER A 27 -4.912 8.537 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.426 10.689 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.662 10.135 -5.094 1.00 0.00 H new ATOM 0 HG SER A 27 -6.964 9.856 -5.138 1.00 0.00 H new ATOM 368 N ILE A 28 -5.140 6.744 -4.397 1.00 0.00 N ATOM 369 CA ILE A 28 -5.022 5.509 -5.162 1.00 0.00 C ATOM 370 C ILE A 28 -6.086 5.434 -6.252 1.00 0.00 C ATOM 371 O ILE A 28 -7.013 6.243 -6.285 1.00 0.00 O ATOM 372 CB ILE A 28 -5.144 4.271 -4.254 1.00 0.00 C ATOM 373 CG1 ILE A 28 -5.946 4.611 -2.996 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.764 3.747 -3.885 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.581 3.405 -2.341 1.00 0.00 C ATOM 0 H ILE A 28 -6.069 6.914 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.034 5.516 -5.622 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.674 3.489 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.289 5.101 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.726 5.327 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.867 2.872 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.225 3.471 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.210 4.522 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.133 3.720 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.264 2.927 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.804 2.697 -2.051 1.00 0.00 H new ATOM 387 N ARG A 29 -5.946 4.456 -7.141 1.00 0.00 N ATOM 388 CA ARG A 29 -6.896 4.274 -8.232 1.00 0.00 C ATOM 389 C ARG A 29 -7.068 2.795 -8.562 1.00 0.00 C ATOM 390 O ARG A 29 -6.268 1.958 -8.145 1.00 0.00 O ATOM 391 CB ARG A 29 -6.428 5.034 -9.475 1.00 0.00 C ATOM 392 CG ARG A 29 -5.295 4.346 -10.219 1.00 0.00 C ATOM 393 CD ARG A 29 -5.281 4.731 -11.690 1.00 0.00 C ATOM 394 NE ARG A 29 -4.957 6.141 -11.884 1.00 0.00 N ATOM 395 CZ ARG A 29 -4.754 6.692 -13.076 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.841 5.954 -14.174 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.464 7.983 -13.171 1.00 0.00 N ATOM 0 H ARG A 29 -5.184 3.778 -7.127 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.859 4.671 -7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.272 5.160 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.104 6.032 -9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.342 4.614 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.400 3.265 -10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.553 4.116 -12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.256 4.519 -12.129 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.882 6.736 -11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.064 4.961 -14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.685 6.379 -15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.397 8.554 -12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.308 8.405 -14.087 1.00 0.00 H new ATOM 411 N GLY A 30 -8.119 2.479 -9.314 1.00 0.00 N ATOM 412 CA GLY A 30 -8.377 1.101 -9.686 1.00 0.00 C ATOM 413 C GLY A 30 -8.991 0.300 -8.555 1.00 0.00 C ATOM 414 O GLY A 30 -9.436 0.864 -7.556 1.00 0.00 O ATOM 0 H GLY A 30 -8.796 3.153 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.045 1.079 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.444 0.631 -9.995 1.00 0.00 H new ATOM 418 N GLY A 31 -9.016 -1.020 -8.712 1.00 0.00 N ATOM 419 CA GLY A 31 -9.583 -1.879 -7.689 1.00 0.00 C ATOM 420 C GLY A 31 -10.543 -2.903 -8.258 1.00 0.00 C ATOM 421 O GLY A 31 -10.937 -2.816 -9.421 1.00 0.00 O ATOM 0 H GLY A 31 -8.653 -1.510 -9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.778 -2.393 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.104 -1.267 -6.953 1.00 0.00 H new ATOM 425 N ARG A 32 -10.920 -3.879 -7.438 1.00 0.00 N ATOM 426 CA ARG A 32 -11.838 -4.927 -7.869 1.00 0.00 C ATOM 427 C ARG A 32 -13.103 -4.326 -8.475 1.00 0.00 C ATOM 428 O ARG A 32 -13.834 -4.999 -9.200 1.00 0.00 O ATOM 429 CB ARG A 32 -12.204 -5.830 -6.689 1.00 0.00 C ATOM 430 CG ARG A 32 -11.262 -7.009 -6.510 1.00 0.00 C ATOM 431 CD ARG A 32 -11.618 -8.154 -7.445 1.00 0.00 C ATOM 432 NE ARG A 32 -12.677 -8.998 -6.898 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.429 -9.805 -7.638 1.00 0.00 C ATOM 434 NH1 ARG A 32 -13.239 -9.878 -8.948 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.373 -10.543 -7.068 1.00 0.00 N ATOM 0 H ARG A 32 -10.604 -3.966 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.338 -5.523 -8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.207 -5.236 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.218 -6.204 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.237 -6.689 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.303 -7.355 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.936 -7.751 -8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.731 -8.760 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.848 -8.966 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.514 -9.314 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.818 -10.499 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.522 -10.491 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.950 -11.162 -7.638 1.00 0.00 H new ATOM 449 N GLU A 33 -13.353 -3.057 -8.171 1.00 0.00 N ATOM 450 CA GLU A 33 -14.531 -2.367 -8.686 1.00 0.00 C ATOM 451 C GLU A 33 -14.414 -2.139 -10.190 1.00 0.00 C ATOM 452 O GLU A 33 -15.403 -2.215 -10.919 1.00 0.00 O ATOM 453 CB GLU A 33 -14.718 -1.028 -7.969 1.00 0.00 C ATOM 454 CG GLU A 33 -16.163 -0.561 -7.921 1.00 0.00 C ATOM 455 CD GLU A 33 -16.286 0.946 -7.804 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.124 1.469 -6.681 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.543 1.603 -8.834 1.00 0.00 O ATOM 0 H GLU A 33 -12.757 -2.486 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.401 -2.997 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.339 -1.114 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.116 -0.270 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.679 -0.895 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.664 -1.029 -7.074 1.00 0.00 H new ATOM 464 N TYR A 34 -13.198 -1.859 -10.647 1.00 0.00 N ATOM 465 CA TYR A 34 -12.952 -1.617 -12.064 1.00 0.00 C ATOM 466 C TYR A 34 -12.201 -2.786 -12.693 1.00 0.00 C ATOM 467 O TYR A 34 -11.768 -2.715 -13.844 1.00 0.00 O ATOM 468 CB TYR A 34 -12.155 -0.324 -12.250 1.00 0.00 C ATOM 469 CG TYR A 34 -12.548 0.773 -11.288 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.631 1.603 -11.554 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.836 0.982 -10.113 1.00 0.00 C ATOM 472 CE1 TYR A 34 -13.993 2.607 -10.677 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.192 1.983 -9.231 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.271 2.794 -9.517 1.00 0.00 C ATOM 475 OH TYR A 34 -13.627 3.793 -8.641 1.00 0.00 O ATOM 0 H TYR A 34 -12.368 -1.794 -10.057 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.916 -1.517 -12.563 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.094 -0.540 -12.127 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.291 0.033 -13.271 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.199 1.460 -12.462 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.990 0.351 -9.886 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.838 3.243 -10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.628 2.130 -8.322 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.185 3.645 -7.779 1.00 0.00 H new ATOM 485 N LYS A 35 -12.049 -3.863 -11.930 1.00 0.00 N ATOM 486 CA LYS A 35 -11.353 -5.050 -12.411 1.00 0.00 C ATOM 487 C LYS A 35 -9.907 -4.724 -12.772 1.00 0.00 C ATOM 488 O LYS A 35 -9.438 -5.060 -13.859 1.00 0.00 O ATOM 489 CB LYS A 35 -12.074 -5.632 -13.629 1.00 0.00 C ATOM 490 CG LYS A 35 -13.542 -5.933 -13.380 1.00 0.00 C ATOM 491 CD LYS A 35 -14.409 -4.705 -13.603 1.00 0.00 C ATOM 492 CE LYS A 35 -15.874 -5.079 -13.766 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.758 -3.881 -13.744 1.00 0.00 N ATOM 0 H LYS A 35 -12.399 -3.938 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.352 -5.789 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.991 -4.931 -14.459 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.570 -6.549 -13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.867 -6.735 -14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.673 -6.291 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.298 -4.022 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.067 -4.173 -14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.010 -5.613 -14.706 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.166 -5.760 -12.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.748 -4.178 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.648 -3.385 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.497 -3.242 -14.522 1.00 0.00 H new ATOM 507 N MET A 36 -9.206 -4.070 -11.852 1.00 0.00 N ATOM 508 CA MET A 36 -7.812 -3.702 -12.072 1.00 0.00 C ATOM 509 C MET A 36 -7.068 -3.570 -10.747 1.00 0.00 C ATOM 510 O MET A 36 -7.682 -3.531 -9.681 1.00 0.00 O ATOM 511 CB MET A 36 -7.727 -2.387 -12.851 1.00 0.00 C ATOM 512 CG MET A 36 -8.485 -1.243 -12.197 1.00 0.00 C ATOM 513 SD MET A 36 -8.891 0.074 -13.359 1.00 0.00 S ATOM 514 CE MET A 36 -7.858 1.400 -12.742 1.00 0.00 C ATOM 0 H MET A 36 -9.580 -3.784 -10.947 1.00 0.00 H new ATOM 0 HA MET A 36 -7.341 -4.493 -12.655 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.680 -2.104 -12.957 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.118 -2.544 -13.856 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.404 -1.627 -11.754 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.886 -0.833 -11.384 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.426 1.945 -13.581 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.460 2.080 -12.139 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.058 0.983 -12.129 1.00 0.00 H new ATOM 524 N ASP A 37 -5.743 -3.502 -10.822 1.00 0.00 N ATOM 525 CA ASP A 37 -4.916 -3.375 -9.628 1.00 0.00 C ATOM 526 C ASP A 37 -5.018 -1.969 -9.044 1.00 0.00 C ATOM 527 O ASP A 37 -5.585 -1.068 -9.663 1.00 0.00 O ATOM 528 CB ASP A 37 -3.458 -3.700 -9.955 1.00 0.00 C ATOM 529 CG ASP A 37 -3.299 -5.063 -10.601 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.412 -6.077 -9.882 1.00 0.00 O ATOM 531 OD2 ASP A 37 -3.064 -5.114 -11.826 1.00 0.00 O ATOM 0 H ASP A 37 -5.219 -3.533 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.281 -4.085 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.059 -2.936 -10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.867 -3.664 -9.040 1.00 0.00 H new ATOM 536 N LEU A 38 -4.465 -1.789 -7.849 1.00 0.00 N ATOM 537 CA LEU A 38 -4.495 -0.493 -7.181 1.00 0.00 C ATOM 538 C LEU A 38 -3.220 0.296 -7.465 1.00 0.00 C ATOM 539 O LEU A 38 -2.123 -0.126 -7.100 1.00 0.00 O ATOM 540 CB LEU A 38 -4.667 -0.679 -5.672 1.00 0.00 C ATOM 541 CG LEU A 38 -6.053 -1.122 -5.204 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.952 -1.919 -3.913 1.00 0.00 C ATOM 543 CD2 LEU A 38 -6.964 0.084 -5.018 1.00 0.00 C ATOM 0 H LEU A 38 -3.991 -2.524 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.343 0.070 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.938 -1.415 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.423 0.263 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.485 -1.765 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.949 -2.225 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.336 -2.803 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.499 -1.301 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.947 -0.250 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.535 0.752 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.063 0.615 -5.965 1.00 0.00 H new ATOM 555 N TYR A 39 -3.374 1.443 -8.117 1.00 0.00 N ATOM 556 CA TYR A 39 -2.235 2.290 -8.451 1.00 0.00 C ATOM 557 C TYR A 39 -2.352 3.651 -7.771 1.00 0.00 C ATOM 558 O TYR A 39 -3.407 4.009 -7.249 1.00 0.00 O ATOM 559 CB TYR A 39 -2.135 2.472 -9.966 1.00 0.00 C ATOM 560 CG TYR A 39 -2.462 1.220 -10.749 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.779 0.812 -10.925 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.455 0.446 -11.312 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.083 -0.331 -11.638 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.750 -0.698 -12.029 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.065 -1.082 -12.189 1.00 0.00 C ATOM 566 OH TYR A 39 -3.363 -2.222 -12.901 1.00 0.00 O ATOM 0 H TYR A 39 -4.276 1.807 -8.425 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.331 1.799 -8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.811 3.270 -10.273 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.125 2.795 -10.219 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.578 1.399 -10.497 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.424 0.743 -11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.112 -0.635 -11.764 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.955 -1.288 -12.462 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.533 -2.633 -13.222 1.00 0.00 H new ATOM 576 N VAL A 40 -1.258 4.406 -7.782 1.00 0.00 N ATOM 577 CA VAL A 40 -1.235 5.729 -7.169 1.00 0.00 C ATOM 578 C VAL A 40 -1.944 6.754 -8.047 1.00 0.00 C ATOM 579 O VAL A 40 -1.474 7.085 -9.137 1.00 0.00 O ATOM 580 CB VAL A 40 0.207 6.202 -6.908 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.207 7.511 -6.132 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.992 5.132 -6.165 1.00 0.00 C ATOM 0 H VAL A 40 -0.376 4.124 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.760 5.646 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 40 0.694 6.376 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.234 7.830 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.317 8.275 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.296 7.367 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.009 5.483 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.509 4.924 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.021 4.221 -6.763 1.00 0.00 H new ATOM 592 N LEU A 41 -3.077 7.254 -7.567 1.00 0.00 N ATOM 593 CA LEU A 41 -3.852 8.243 -8.308 1.00 0.00 C ATOM 594 C LEU A 41 -3.092 9.561 -8.415 1.00 0.00 C ATOM 595 O LEU A 41 -2.781 10.023 -9.513 1.00 0.00 O ATOM 596 CB LEU A 41 -5.203 8.474 -7.630 1.00 0.00 C ATOM 597 CG LEU A 41 -6.197 9.349 -8.395 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.786 10.811 -8.323 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.305 8.894 -9.843 1.00 0.00 C ATOM 0 H LEU A 41 -3.480 6.991 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.019 7.858 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.667 7.504 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.025 8.928 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.177 9.245 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.505 11.419 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.762 11.131 -7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.796 10.933 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.017 9.528 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.328 8.968 -10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.647 7.860 -9.875 1.00 0.00 H new ATOM 611 N ARG A 42 -2.794 10.161 -7.267 1.00 0.00 N ATOM 612 CA ARG A 42 -2.070 11.426 -7.232 1.00 0.00 C ATOM 613 C ARG A 42 -1.339 11.597 -5.903 1.00 0.00 C ATOM 614 O ARG A 42 -1.788 11.104 -4.867 1.00 0.00 O ATOM 615 CB ARG A 42 -3.031 12.596 -7.451 1.00 0.00 C ATOM 616 CG ARG A 42 -2.597 13.878 -6.760 1.00 0.00 C ATOM 617 CD ARG A 42 -3.070 13.921 -5.316 1.00 0.00 C ATOM 618 NE ARG A 42 -4.384 14.546 -5.189 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.594 15.851 -5.324 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.581 16.664 -5.589 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.819 16.344 -5.194 1.00 0.00 N ATOM 0 H ARG A 42 -3.043 9.792 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.333 11.416 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.124 12.783 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.020 12.315 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.510 13.959 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.996 14.737 -7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.111 12.907 -4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.347 14.471 -4.714 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.185 13.948 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.638 16.288 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.744 17.666 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.601 15.721 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.979 17.346 -5.298 1.00 0.00 H new ATOM 635 N LEU A 43 -0.210 12.296 -5.940 1.00 0.00 N ATOM 636 CA LEU A 43 0.585 12.531 -4.740 1.00 0.00 C ATOM 637 C LEU A 43 0.461 13.981 -4.281 1.00 0.00 C ATOM 638 O LEU A 43 0.261 14.884 -5.092 1.00 0.00 O ATOM 639 CB LEU A 43 2.053 12.190 -5.000 1.00 0.00 C ATOM 640 CG LEU A 43 2.474 10.754 -4.687 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.942 10.544 -5.022 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.206 10.426 -3.225 1.00 0.00 C ATOM 0 H LEU A 43 0.176 12.710 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 43 0.204 11.884 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.272 12.391 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.672 12.866 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 43 1.881 10.079 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.224 9.516 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.104 10.737 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.551 11.228 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.512 9.400 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.772 11.107 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.142 10.536 -3.017 1.00 0.00 H new ATOM 654 N ALA A 44 0.584 14.195 -2.975 1.00 0.00 N ATOM 655 CA ALA A 44 0.491 15.535 -2.409 1.00 0.00 C ATOM 656 C ALA A 44 1.859 16.206 -2.359 1.00 0.00 C ATOM 657 O ALA A 44 2.770 15.729 -1.683 1.00 0.00 O ATOM 658 CB ALA A 44 -0.122 15.478 -1.017 1.00 0.00 C ATOM 0 H ALA A 44 0.748 13.458 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.154 16.132 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.186 16.486 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.121 15.047 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.501 14.861 -0.370 1.00 0.00 H new ATOM 664 N GLU A 45 1.996 17.316 -3.079 1.00 0.00 N ATOM 665 CA GLU A 45 3.255 18.051 -3.116 1.00 0.00 C ATOM 666 C GLU A 45 3.621 18.573 -1.730 1.00 0.00 C ATOM 667 O GLU A 45 4.760 18.975 -1.487 1.00 0.00 O ATOM 668 CB GLU A 45 3.161 19.215 -4.104 1.00 0.00 C ATOM 669 CG GLU A 45 2.116 20.251 -3.727 1.00 0.00 C ATOM 670 CD GLU A 45 1.814 21.214 -4.859 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.756 21.878 -5.340 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.636 21.304 -5.263 1.00 0.00 O ATOM 0 H GLU A 45 1.251 17.725 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 45 4.037 17.367 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.134 19.701 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.930 18.822 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.197 19.744 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.463 20.813 -2.860 1.00 0.00 H new ATOM 679 N ASP A 46 2.649 18.566 -0.826 1.00 0.00 N ATOM 680 CA ASP A 46 2.868 19.039 0.537 1.00 0.00 C ATOM 681 C ASP A 46 2.570 17.937 1.548 1.00 0.00 C ATOM 682 O ASP A 46 2.476 18.191 2.749 1.00 0.00 O ATOM 683 CB ASP A 46 1.993 20.260 0.822 1.00 0.00 C ATOM 684 CG ASP A 46 2.308 20.898 2.161 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.506 21.074 2.468 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.356 21.221 2.902 1.00 0.00 O ATOM 0 H ASP A 46 1.701 18.238 -1.011 1.00 0.00 H new ATOM 0 HA ASP A 46 3.916 19.322 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.132 20.996 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.944 19.964 0.801 1.00 0.00 H new ATOM 691 N GLY A 47 2.422 16.711 1.055 1.00 0.00 N ATOM 692 CA GLY A 47 2.135 15.589 1.929 1.00 0.00 C ATOM 693 C GLY A 47 3.382 14.812 2.304 1.00 0.00 C ATOM 694 O GLY A 47 4.454 15.002 1.728 1.00 0.00 O ATOM 0 H GLY A 47 2.496 16.475 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.651 15.953 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.428 14.921 1.437 1.00 0.00 H new ATOM 698 N PRO A 48 3.251 13.916 3.293 1.00 0.00 N ATOM 699 CA PRO A 48 4.366 13.091 3.767 1.00 0.00 C ATOM 700 C PRO A 48 4.790 12.044 2.742 1.00 0.00 C ATOM 701 O PRO A 48 5.937 11.600 2.733 1.00 0.00 O ATOM 702 CB PRO A 48 3.801 12.415 5.019 1.00 0.00 C ATOM 703 CG PRO A 48 2.327 12.394 4.805 1.00 0.00 C ATOM 704 CD PRO A 48 2.003 13.638 4.024 1.00 0.00 C ATOM 0 HA PRO A 48 5.261 13.685 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.198 11.407 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.062 12.969 5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.025 11.501 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.795 12.381 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.166 13.479 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.729 14.464 4.680 1.00 0.00 H new ATOM 712 N ALA A 49 3.856 11.655 1.880 1.00 0.00 N ATOM 713 CA ALA A 49 4.134 10.663 0.849 1.00 0.00 C ATOM 714 C ALA A 49 5.170 11.178 -0.143 1.00 0.00 C ATOM 715 O ALA A 49 6.280 10.651 -0.226 1.00 0.00 O ATOM 716 CB ALA A 49 2.851 10.281 0.125 1.00 0.00 C ATOM 0 H ALA A 49 2.900 12.012 1.875 1.00 0.00 H new ATOM 0 HA ALA A 49 4.543 9.776 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.073 9.539 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.141 9.863 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.419 11.167 -0.341 1.00 0.00 H new ATOM 722 N ILE A 50 4.801 12.209 -0.895 1.00 0.00 N ATOM 723 CA ILE A 50 5.700 12.795 -1.882 1.00 0.00 C ATOM 724 C ILE A 50 7.094 13.004 -1.300 1.00 0.00 C ATOM 725 O ILE A 50 8.079 13.084 -2.035 1.00 0.00 O ATOM 726 CB ILE A 50 5.165 14.142 -2.402 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.624 14.377 -3.842 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.627 15.278 -1.501 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.709 15.292 -4.626 1.00 0.00 C ATOM 0 H ILE A 50 3.886 12.656 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 50 5.758 12.092 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 50 4.075 14.113 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.627 14.803 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.691 13.417 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.241 16.224 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.255 15.115 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.716 15.310 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.096 15.414 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.710 14.858 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.661 16.265 -4.137 1.00 0.00 H new ATOM 741 N ARG A 51 7.170 13.091 0.024 1.00 0.00 N ATOM 742 CA ARG A 51 8.443 13.291 0.705 1.00 0.00 C ATOM 743 C ARG A 51 9.155 11.959 0.928 1.00 0.00 C ATOM 744 O ARG A 51 10.383 11.892 0.920 1.00 0.00 O ATOM 745 CB ARG A 51 8.224 13.995 2.045 1.00 0.00 C ATOM 746 CG ARG A 51 7.707 15.418 1.907 1.00 0.00 C ATOM 747 CD ARG A 51 7.486 16.064 3.266 1.00 0.00 C ATOM 748 NE ARG A 51 6.826 17.362 3.154 1.00 0.00 N ATOM 749 CZ ARG A 51 6.517 18.122 4.199 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.807 17.715 5.427 1.00 0.00 N ATOM 751 NH2 ARG A 51 5.916 19.291 4.016 1.00 0.00 N ATOM 0 H ARG A 51 6.365 13.026 0.646 1.00 0.00 H new ATOM 0 HA ARG A 51 9.071 13.918 0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.517 13.416 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.164 14.011 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.419 16.011 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.771 15.414 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.882 15.403 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.445 16.187 3.769 1.00 0.00 H new ATOM 0 HE ARG A 51 6.589 17.704 2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.268 16.817 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.569 18.300 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.691 19.607 3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.679 19.874 4.819 1.00 0.00 H new ATOM 765 N ASN A 52 8.373 10.903 1.128 1.00 0.00 N ATOM 766 CA ASN A 52 8.928 9.574 1.355 1.00 0.00 C ATOM 767 C ASN A 52 9.812 9.147 0.188 1.00 0.00 C ATOM 768 O ASN A 52 10.999 8.874 0.361 1.00 0.00 O ATOM 769 CB ASN A 52 7.804 8.556 1.557 1.00 0.00 C ATOM 770 CG ASN A 52 8.119 7.213 0.927 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.145 6.601 1.225 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.236 6.749 0.050 1.00 0.00 N ATOM 0 H ASN A 52 7.354 10.942 1.137 1.00 0.00 H new ATOM 0 HA ASN A 52 9.540 9.613 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.627 8.421 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.882 8.948 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.395 5.851 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.399 7.291 -0.166 1.00 0.00 H new ATOM 779 N GLY A 53 9.224 9.091 -1.004 1.00 0.00 N ATOM 780 CA GLY A 53 9.973 8.698 -2.183 1.00 0.00 C ATOM 781 C GLY A 53 9.749 7.245 -2.553 1.00 0.00 C ATOM 782 O GLY A 53 9.382 6.935 -3.686 1.00 0.00 O ATOM 0 H GLY A 53 8.243 9.311 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.684 9.332 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.036 8.866 -2.007 1.00 0.00 H new ATOM 786 N ARG A 54 9.973 6.351 -1.595 1.00 0.00 N ATOM 787 CA ARG A 54 9.797 4.922 -1.827 1.00 0.00 C ATOM 788 C ARG A 54 8.640 4.666 -2.789 1.00 0.00 C ATOM 789 O ARG A 54 8.665 3.711 -3.564 1.00 0.00 O ATOM 790 CB ARG A 54 9.545 4.196 -0.504 1.00 0.00 C ATOM 791 CG ARG A 54 10.799 3.999 0.331 1.00 0.00 C ATOM 792 CD ARG A 54 11.531 2.723 -0.057 1.00 0.00 C ATOM 793 NE ARG A 54 12.827 2.612 0.608 1.00 0.00 N ATOM 794 CZ ARG A 54 12.967 2.398 1.911 1.00 0.00 C ATOM 795 NH1 ARG A 54 11.898 2.272 2.685 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.180 2.308 2.443 1.00 0.00 N ATOM 0 H ARG A 54 10.277 6.591 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 54 10.712 4.537 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.817 4.761 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.101 3.223 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.462 4.854 0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.532 3.960 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.917 1.860 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.675 2.702 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 54 13.670 2.704 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.964 2.339 2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.009 2.108 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.005 2.403 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.287 2.144 3.444 1.00 0.00 H new ATOM 810 N MET A 55 7.628 5.526 -2.731 1.00 0.00 N ATOM 811 CA MET A 55 6.463 5.393 -3.598 1.00 0.00 C ATOM 812 C MET A 55 6.236 6.668 -4.404 1.00 0.00 C ATOM 813 O MET A 55 6.480 7.772 -3.918 1.00 0.00 O ATOM 814 CB MET A 55 5.218 5.072 -2.768 1.00 0.00 C ATOM 815 CG MET A 55 4.548 6.302 -2.177 1.00 0.00 C ATOM 816 SD MET A 55 3.070 5.899 -1.227 1.00 0.00 S ATOM 817 CE MET A 55 1.802 6.673 -2.227 1.00 0.00 C ATOM 0 H MET A 55 7.591 6.321 -2.093 1.00 0.00 H new ATOM 0 HA MET A 55 6.650 4.574 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.500 4.543 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.495 4.395 -1.960 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.257 6.824 -1.534 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.282 6.988 -2.981 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.852 6.162 -2.070 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.702 7.720 -1.941 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.079 6.609 -3.279 1.00 0.00 H new ATOM 827 N ARG A 56 5.769 6.507 -5.638 1.00 0.00 N ATOM 828 CA ARG A 56 5.512 7.646 -6.511 1.00 0.00 C ATOM 829 C ARG A 56 4.201 7.463 -7.270 1.00 0.00 C ATOM 830 O ARG A 56 3.479 6.488 -7.058 1.00 0.00 O ATOM 831 CB ARG A 56 6.665 7.828 -7.500 1.00 0.00 C ATOM 832 CG ARG A 56 7.758 8.756 -6.996 1.00 0.00 C ATOM 833 CD ARG A 56 8.747 8.020 -6.106 1.00 0.00 C ATOM 834 NE ARG A 56 9.775 7.331 -6.882 1.00 0.00 N ATOM 835 CZ ARG A 56 10.770 7.956 -7.501 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.872 9.276 -7.435 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.667 7.260 -8.188 1.00 0.00 N ATOM 0 H ARG A 56 5.561 5.600 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 56 5.431 8.538 -5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.101 6.853 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.270 8.220 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.285 9.193 -7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.310 9.580 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.220 8.729 -5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.212 7.297 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 56 9.726 6.315 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.185 9.815 -6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.637 9.753 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.593 6.244 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.431 7.741 -8.663 1.00 0.00 H new ATOM 851 N VAL A 57 3.899 8.407 -8.156 1.00 0.00 N ATOM 852 CA VAL A 57 2.676 8.350 -8.947 1.00 0.00 C ATOM 853 C VAL A 57 2.872 7.507 -10.202 1.00 0.00 C ATOM 854 O VAL A 57 3.919 7.566 -10.845 1.00 0.00 O ATOM 855 CB VAL A 57 2.206 9.759 -9.357 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.924 9.679 -10.171 1.00 0.00 C ATOM 857 CG2 VAL A 57 2.013 10.634 -8.127 1.00 0.00 C ATOM 0 H VAL A 57 4.485 9.220 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 57 1.914 7.889 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 57 2.976 10.213 -9.981 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.608 10.684 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.101 9.090 -11.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.144 9.206 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.681 11.626 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.263 10.186 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.957 10.718 -7.589 1.00 0.00 H new ATOM 867 N GLY A 58 1.855 6.722 -10.546 1.00 0.00 N ATOM 868 CA GLY A 58 1.935 5.878 -11.724 1.00 0.00 C ATOM 869 C GLY A 58 2.450 4.488 -11.407 1.00 0.00 C ATOM 870 O GLY A 58 2.645 3.671 -12.307 1.00 0.00 O ATOM 0 H GLY A 58 0.978 6.656 -10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.948 5.801 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.590 6.346 -12.459 1.00 0.00 H new ATOM 874 N ASP A 59 2.673 4.220 -10.125 1.00 0.00 N ATOM 875 CA ASP A 59 3.170 2.919 -9.691 1.00 0.00 C ATOM 876 C ASP A 59 2.016 1.949 -9.452 1.00 0.00 C ATOM 877 O ASP A 59 0.856 2.354 -9.390 1.00 0.00 O ATOM 878 CB ASP A 59 4.001 3.066 -8.416 1.00 0.00 C ATOM 879 CG ASP A 59 5.465 3.331 -8.708 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.098 2.490 -9.380 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.979 4.379 -8.263 1.00 0.00 O ATOM 0 H ASP A 59 2.518 4.886 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 59 3.802 2.516 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.599 3.882 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.911 2.158 -7.820 1.00 0.00 H new ATOM 886 N GLN A 60 2.345 0.668 -9.320 1.00 0.00 N ATOM 887 CA GLN A 60 1.336 -0.359 -9.089 1.00 0.00 C ATOM 888 C GLN A 60 1.488 -0.969 -7.700 1.00 0.00 C ATOM 889 O GLN A 60 2.523 -1.553 -7.378 1.00 0.00 O ATOM 890 CB GLN A 60 1.438 -1.452 -10.154 1.00 0.00 C ATOM 891 CG GLN A 60 0.183 -2.301 -10.277 1.00 0.00 C ATOM 892 CD GLN A 60 0.208 -3.514 -9.369 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.492 -3.426 -8.244 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.849 -4.520 -9.674 1.00 0.00 N flip ATOM 0 H GLN A 60 3.301 0.317 -9.369 1.00 0.00 H new ATOM 0 HA GLN A 60 0.354 0.110 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.650 -0.990 -11.118 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.283 -2.099 -9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.688 -1.691 -10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.070 -2.628 -11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.373 -4.545 -10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.856 -5.328 -9.052 1.00 0.00 H new ATOM 903 N ILE A 61 0.451 -0.830 -6.882 1.00 0.00 N ATOM 904 CA ILE A 61 0.469 -1.369 -5.527 1.00 0.00 C ATOM 905 C ILE A 61 -0.086 -2.789 -5.493 1.00 0.00 C ATOM 906 O ILE A 61 -1.221 -3.032 -5.903 1.00 0.00 O ATOM 907 CB ILE A 61 -0.343 -0.489 -4.560 1.00 0.00 C ATOM 908 CG1 ILE A 61 0.085 0.975 -4.686 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.170 -0.975 -3.129 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.004 1.957 -4.314 1.00 0.00 C ATOM 0 H ILE A 61 -0.413 -0.349 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 61 1.511 -1.381 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.398 -0.564 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.952 1.148 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.400 1.166 -5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.750 -0.342 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.519 -2.005 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.883 -0.927 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.630 2.975 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.864 1.812 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.304 1.793 -3.279 1.00 0.00 H new ATOM 922 N ILE A 62 0.721 -3.722 -4.999 1.00 0.00 N ATOM 923 CA ILE A 62 0.309 -5.117 -4.908 1.00 0.00 C ATOM 924 C ILE A 62 -0.130 -5.470 -3.491 1.00 0.00 C ATOM 925 O ILE A 62 -1.048 -6.265 -3.296 1.00 0.00 O ATOM 926 CB ILE A 62 1.444 -6.068 -5.333 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.806 -5.424 -5.067 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.304 -6.436 -6.803 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.227 -4.439 -6.136 1.00 0.00 C ATOM 0 H ILE A 62 1.664 -3.537 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.533 -5.242 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 62 1.374 -6.981 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.776 -4.913 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.560 -6.207 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.113 -7.108 -7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.347 -6.931 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.352 -5.532 -7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.201 -4.021 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.290 -4.950 -7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.493 -3.635 -6.200 1.00 0.00 H new ATOM 941 N GLU A 63 0.532 -4.870 -2.506 1.00 0.00 N ATOM 942 CA GLU A 63 0.208 -5.121 -1.107 1.00 0.00 C ATOM 943 C GLU A 63 -0.198 -3.829 -0.403 1.00 0.00 C ATOM 944 O GLU A 63 0.326 -2.756 -0.702 1.00 0.00 O ATOM 945 CB GLU A 63 1.404 -5.751 -0.389 1.00 0.00 C ATOM 946 CG GLU A 63 1.010 -6.678 0.749 1.00 0.00 C ATOM 947 CD GLU A 63 0.614 -8.059 0.266 1.00 0.00 C ATOM 948 OE1 GLU A 63 0.621 -8.282 -0.963 1.00 0.00 O ATOM 949 OE2 GLU A 63 0.295 -8.917 1.116 1.00 0.00 O ATOM 0 H GLU A 63 1.294 -4.208 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.633 -5.813 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.999 -6.309 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.041 -4.958 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.843 -6.766 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.179 -6.238 1.300 1.00 0.00 H new ATOM 956 N ILE A 64 -1.135 -3.942 0.532 1.00 0.00 N ATOM 957 CA ILE A 64 -1.612 -2.784 1.279 1.00 0.00 C ATOM 958 C ILE A 64 -1.776 -3.114 2.759 1.00 0.00 C ATOM 959 O ILE A 64 -2.666 -3.872 3.141 1.00 0.00 O ATOM 960 CB ILE A 64 -2.955 -2.272 0.726 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.750 -1.599 -0.632 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.599 -1.306 1.710 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.031 -1.092 -1.256 1.00 0.00 C ATOM 0 H ILE A 64 -1.579 -4.823 0.791 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.860 -2.003 1.165 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.623 -3.123 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.058 -0.765 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.280 -2.309 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.547 -0.953 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.776 -1.816 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.935 -0.457 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.809 -0.627 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.717 -1.925 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.492 -0.358 -0.595 1.00 0.00 H new ATOM 975 N ASN A 65 -0.912 -2.536 3.587 1.00 0.00 N ATOM 976 CA ASN A 65 -0.962 -2.767 5.026 1.00 0.00 C ATOM 977 C ASN A 65 -0.942 -4.260 5.338 1.00 0.00 C ATOM 978 O ASN A 65 -1.642 -4.727 6.235 1.00 0.00 O ATOM 979 CB ASN A 65 -2.217 -2.127 5.624 1.00 0.00 C ATOM 980 CG ASN A 65 -1.988 -0.687 6.042 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.867 -0.294 6.366 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.053 0.106 6.039 1.00 0.00 N ATOM 0 H ASN A 65 -0.169 -1.905 3.286 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.080 -2.308 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.025 -2.166 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.540 -2.707 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.961 1.084 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.963 -0.263 5.763 1.00 0.00 H new ATOM 1072 N MET A 72 -9.620 -6.885 -3.744 1.00 0.00 N ATOM 1073 CA MET A 72 -10.077 -5.733 -2.975 1.00 0.00 C ATOM 1074 C MET A 72 -10.485 -4.590 -3.899 1.00 0.00 C ATOM 1075 O MET A 72 -9.842 -4.343 -4.920 1.00 0.00 O ATOM 1076 CB MET A 72 -8.979 -5.264 -2.019 1.00 0.00 C ATOM 1077 CG MET A 72 -8.207 -6.404 -1.373 1.00 0.00 C ATOM 1078 SD MET A 72 -7.404 -5.915 0.165 1.00 0.00 S ATOM 1079 CE MET A 72 -6.787 -4.292 -0.276 1.00 0.00 C ATOM 0 HA MET A 72 -10.949 -6.037 -2.395 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.282 -4.627 -2.564 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.427 -4.651 -1.237 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.887 -7.232 -1.176 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.454 -6.769 -2.071 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.898 -4.068 0.313 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.534 -4.275 -1.336 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.554 -3.544 -0.074 1.00 0.00 H new ATOM 1089 N THR A 73 -11.558 -3.895 -3.535 1.00 0.00 N ATOM 1090 CA THR A 73 -12.053 -2.779 -4.332 1.00 0.00 C ATOM 1091 C THR A 73 -11.447 -1.460 -3.867 1.00 0.00 C ATOM 1092 O THR A 73 -11.044 -1.324 -2.711 1.00 0.00 O ATOM 1093 CB THR A 73 -13.588 -2.678 -4.264 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.016 -2.622 -2.899 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.240 -3.865 -4.957 1.00 0.00 C ATOM 0 H THR A 73 -12.101 -4.085 -2.693 1.00 0.00 H new ATOM 0 HA THR A 73 -11.754 -2.969 -5.363 1.00 0.00 H new ATOM 0 HB THR A 73 -13.893 -1.766 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.993 -2.556 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.324 -3.771 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.936 -3.887 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.927 -4.788 -4.469 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.385 -0.490 -4.774 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.828 0.820 -4.456 1.00 0.00 C ATOM 1105 C HIS A 74 -11.264 1.272 -3.065 1.00 0.00 C ATOM 1106 O HIS A 74 -10.521 1.957 -2.363 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.263 1.849 -5.499 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.364 3.045 -5.572 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.590 4.106 -6.422 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.232 3.344 -4.892 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.636 5.006 -6.264 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.799 4.567 -5.341 1.00 0.00 N ATOM 0 H HIS A 74 -11.714 -0.587 -5.735 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.741 0.739 -4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.297 1.370 -6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.276 2.180 -5.271 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.372 4.184 -7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.758 2.734 -4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.554 5.941 -6.798 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.474 0.884 -2.674 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.008 1.249 -1.368 1.00 0.00 C ATOM 1123 C ALA A 75 -12.198 0.609 -0.246 1.00 0.00 C ATOM 1124 O ALA A 75 -11.706 1.299 0.648 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.471 0.842 -1.264 1.00 0.00 C ATOM 0 H ALA A 75 -13.102 0.317 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.935 2.331 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.857 1.120 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.046 1.350 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.559 -0.236 -1.396 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.063 -0.712 -0.298 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.314 -1.444 0.716 1.00 0.00 C ATOM 1133 C ARG A 76 -9.955 -0.796 0.961 1.00 0.00 C ATOM 1134 O ARG A 76 -9.561 -0.571 2.105 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.126 -2.901 0.288 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.214 -3.693 1.210 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.620 -3.535 2.667 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.314 -4.727 3.453 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.723 -4.907 4.704 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.450 -3.978 5.308 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.404 -6.019 5.354 1.00 0.00 N ATOM 0 H ARG A 76 -12.463 -1.297 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.884 -1.415 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.100 -3.388 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.717 -2.924 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.244 -4.747 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.185 -3.359 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.104 -2.676 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.688 -3.327 2.725 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.756 -5.461 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.697 -3.122 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.762 -4.119 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.844 -6.736 4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.718 -6.156 6.315 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.243 -0.497 -0.121 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.929 0.127 -0.023 1.00 0.00 C ATOM 1157 C ALA A 77 -8.006 1.455 0.722 1.00 0.00 C ATOM 1158 O ALA A 77 -7.211 1.718 1.624 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.337 0.331 -1.410 1.00 0.00 C ATOM 0 H ALA A 77 -9.554 -0.677 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.279 -0.540 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.356 0.798 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.237 -0.633 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.994 0.975 -1.995 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.968 2.288 0.339 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.148 3.589 0.971 1.00 0.00 C ATOM 1167 C ILE A 78 -9.490 3.438 2.450 1.00 0.00 C ATOM 1168 O ILE A 78 -9.358 4.384 3.226 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.258 4.402 0.279 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.965 4.537 -1.216 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.390 5.774 0.925 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.153 5.765 -1.564 1.00 0.00 C ATOM 0 H ILE A 78 -9.635 2.085 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.203 4.123 0.871 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.204 3.873 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.430 3.650 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.908 4.568 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.178 6.337 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.640 5.657 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.446 6.312 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.983 5.796 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.695 6.659 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.194 5.726 -1.046 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.927 2.243 2.832 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.287 1.969 4.218 1.00 0.00 C ATOM 1186 C GLU A 79 -9.105 1.376 4.980 1.00 0.00 C ATOM 1187 O GLU A 79 -8.941 1.614 6.177 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.479 1.011 4.279 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.439 0.066 5.468 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.823 -0.316 5.956 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.754 0.501 5.801 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.975 -1.434 6.492 1.00 0.00 O ATOM 0 H GLU A 79 -10.040 1.449 2.202 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.564 2.913 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.400 1.592 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.511 0.425 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.893 -0.836 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.887 0.536 6.282 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.284 0.603 4.277 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.116 -0.025 4.886 1.00 0.00 C ATOM 1201 C LEU A 80 -6.066 1.019 5.253 1.00 0.00 C ATOM 1202 O LEU A 80 -5.379 0.892 6.267 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.513 -1.059 3.933 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.358 -2.307 3.675 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.546 -3.357 2.934 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.892 -2.869 4.985 1.00 0.00 C ATOM 0 H LEU A 80 -8.405 0.396 3.286 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.438 -0.526 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.318 -0.573 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.549 -1.374 4.333 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.206 -2.026 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.164 -4.238 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.213 -2.952 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.678 -3.635 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.491 -3.757 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.058 -3.135 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.510 -2.119 5.478 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.949 2.050 4.424 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.985 3.117 4.663 1.00 0.00 C ATOM 1220 C ILE A 81 -5.289 3.850 5.965 1.00 0.00 C ATOM 1221 O ILE A 81 -4.380 4.274 6.679 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.971 4.133 3.506 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.742 3.418 2.173 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.898 5.186 3.739 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.281 4.176 0.980 1.00 0.00 C ATOM 0 H ILE A 81 -6.510 2.169 3.580 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.004 2.647 4.734 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.940 4.631 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.673 3.255 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.212 2.435 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.900 5.897 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.101 5.713 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.922 4.704 3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.083 3.610 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.356 4.317 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.793 5.148 0.916 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.574 3.994 6.271 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.000 4.673 7.489 1.00 0.00 C ATOM 1239 C LYS A 82 -7.299 3.668 8.596 1.00 0.00 C ATOM 1240 O LYS A 82 -7.444 4.038 9.761 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.239 5.528 7.213 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.118 4.986 6.100 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.352 5.847 5.894 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.012 7.148 5.184 1.00 0.00 C ATOM 1245 NZ LYS A 82 -10.947 8.245 5.558 1.00 0.00 N ATOM 0 H LYS A 82 -7.339 3.649 5.691 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.186 5.319 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.829 5.603 8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.922 6.538 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.546 4.941 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.421 3.966 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.089 5.295 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.809 6.067 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.992 7.441 5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.047 6.993 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.682 9.115 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.918 7.977 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.895 8.411 6.583 1.00 0.00 H new ATOM 1259 N SER A 83 -7.388 2.395 8.225 1.00 0.00 N ATOM 1260 CA SER A 83 -7.672 1.336 9.187 1.00 0.00 C ATOM 1261 C SER A 83 -6.451 1.049 10.055 1.00 0.00 C ATOM 1262 O SER A 83 -6.577 0.733 11.237 1.00 0.00 O ATOM 1263 CB SER A 83 -8.106 0.061 8.461 1.00 0.00 C ATOM 1264 OG SER A 83 -8.330 -0.997 9.377 1.00 0.00 O ATOM 0 H SER A 83 -7.268 2.072 7.265 1.00 0.00 H new ATOM 0 HA SER A 83 -8.484 1.673 9.832 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.017 0.254 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.339 -0.231 7.743 1.00 0.00 H new ATOM 0 HG SER A 83 -8.608 -1.800 8.888 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.268 1.163 9.458 1.00 0.00 N ATOM 1271 CA GLY A 84 -4.041 0.912 10.191 1.00 0.00 C ATOM 1272 C GLY A 84 -3.753 1.984 11.223 1.00 0.00 C ATOM 1273 O GLY A 84 -3.349 1.683 12.345 1.00 0.00 O ATOM 0 H GLY A 84 -5.138 1.424 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.109 -0.056 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.208 0.853 9.490 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.961 3.241 10.843 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.714 4.343 11.755 1.00 0.00 C ATOM 1279 C GLY A 85 -2.960 5.482 11.098 1.00 0.00 C ATOM 1280 O GLY A 85 -3.317 5.923 10.006 1.00 0.00 O ATOM 0 H GLY A 85 -4.296 3.516 9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.665 4.714 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.145 3.981 12.611 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.915 5.960 11.766 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.111 7.057 11.241 1.00 0.00 C ATOM 1286 C ARG A 86 0.048 6.528 10.401 1.00 0.00 C ATOM 1287 O ARG A 86 0.636 7.262 9.606 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.573 7.917 12.387 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.450 9.113 12.715 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.188 9.628 14.122 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.981 10.816 14.427 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.143 11.296 15.655 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -1.569 10.693 16.687 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.879 12.382 15.852 1.00 0.00 N ATOM 0 H ARG A 86 -1.606 5.605 12.671 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.749 7.670 10.604 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.471 7.297 13.278 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.425 8.270 12.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.265 9.910 11.995 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.499 8.833 12.618 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.418 8.844 14.844 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.129 9.861 14.231 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.435 11.304 13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.001 9.859 16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.695 11.064 17.629 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.321 12.849 15.060 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.003 12.750 16.795 1.00 0.00 H new ATOM 1308 N ARG A 87 0.370 5.252 10.583 1.00 0.00 N ATOM 1309 CA ARG A 87 1.458 4.626 9.842 1.00 0.00 C ATOM 1310 C ARG A 87 0.922 3.589 8.859 1.00 0.00 C ATOM 1311 O ARG A 87 0.214 2.659 9.246 1.00 0.00 O ATOM 1312 CB ARG A 87 2.446 3.966 10.807 1.00 0.00 C ATOM 1313 CG ARG A 87 2.980 4.910 11.872 1.00 0.00 C ATOM 1314 CD ARG A 87 3.793 4.165 12.919 1.00 0.00 C ATOM 1315 NE ARG A 87 3.003 3.142 13.599 1.00 0.00 N ATOM 1316 CZ ARG A 87 2.853 1.904 13.141 1.00 0.00 C ATOM 1317 NH1 ARG A 87 3.437 1.538 12.008 1.00 0.00 N ATOM 1318 NH2 ARG A 87 2.119 1.029 13.816 1.00 0.00 N ATOM 0 H ARG A 87 -0.107 4.631 11.237 1.00 0.00 H new ATOM 0 HA ARG A 87 1.974 5.403 9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.957 3.122 11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.284 3.564 10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.600 5.675 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.149 5.425 12.354 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.657 3.700 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.176 4.874 13.653 1.00 0.00 H new ATOM 0 HE ARG A 87 2.541 3.392 14.473 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.003 2.208 11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.320 0.587 11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.669 1.306 14.688 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.005 0.079 13.463 1.00 0.00 H new ATOM 1332 N VAL A 88 1.263 3.757 7.585 1.00 0.00 N ATOM 1333 CA VAL A 88 0.816 2.837 6.547 1.00 0.00 C ATOM 1334 C VAL A 88 2.001 2.227 5.806 1.00 0.00 C ATOM 1335 O VAL A 88 3.020 2.886 5.595 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.103 3.540 5.531 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.639 4.668 4.830 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.646 2.540 4.522 1.00 0.00 C ATOM 0 H VAL A 88 1.847 4.522 7.248 1.00 0.00 H new ATOM 0 HA VAL A 88 0.256 2.046 7.046 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.947 3.972 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.027 5.153 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.973 5.397 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.503 4.263 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.293 3.055 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.183 2.076 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.217 1.771 5.043 1.00 0.00 H new ATOM 1348 N ARG A 89 1.861 0.966 5.413 1.00 0.00 N ATOM 1349 CA ARG A 89 2.921 0.266 4.696 1.00 0.00 C ATOM 1350 C ARG A 89 2.344 -0.584 3.568 1.00 0.00 C ATOM 1351 O ARG A 89 1.623 -1.552 3.812 1.00 0.00 O ATOM 1352 CB ARG A 89 3.719 -0.616 5.657 1.00 0.00 C ATOM 1353 CG ARG A 89 4.630 -1.611 4.956 1.00 0.00 C ATOM 1354 CD ARG A 89 5.021 -2.755 5.878 1.00 0.00 C ATOM 1355 NE ARG A 89 5.987 -2.336 6.891 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.714 -3.185 7.608 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.587 -4.491 7.425 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.572 -2.726 8.511 1.00 0.00 N ATOM 0 H ARG A 89 1.024 0.407 5.579 1.00 0.00 H new ATOM 0 HA ARG A 89 3.586 1.012 4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.321 0.020 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.026 -1.160 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.126 -2.009 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.528 -1.101 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.129 -3.147 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.444 -3.568 5.288 1.00 0.00 H new ATOM 0 HE ARG A 89 6.110 -1.337 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.929 -4.847 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.147 -5.140 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.673 -1.721 8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.130 -3.378 9.062 1.00 0.00 H new ATOM 1372 N LEU A 90 2.666 -0.215 2.333 1.00 0.00 N ATOM 1373 CA LEU A 90 2.180 -0.943 1.166 1.00 0.00 C ATOM 1374 C LEU A 90 3.333 -1.328 0.244 1.00 0.00 C ATOM 1375 O LEU A 90 4.327 -0.607 0.142 1.00 0.00 O ATOM 1376 CB LEU A 90 1.161 -0.098 0.400 1.00 0.00 C ATOM 1377 CG LEU A 90 1.326 1.418 0.515 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.949 2.096 -0.794 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.485 1.961 1.661 1.00 0.00 C ATOM 0 H LEU A 90 3.261 0.584 2.114 1.00 0.00 H new ATOM 0 HA LEU A 90 1.697 -1.856 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.212 -0.370 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.163 -0.363 0.750 1.00 0.00 H new ATOM 0 HG LEU A 90 2.373 1.636 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.072 3.174 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.594 1.729 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.090 1.870 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.615 3.041 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.566 1.732 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.802 1.499 2.596 1.00 0.00 H new ATOM 1391 N LEU A 91 3.194 -2.466 -0.426 1.00 0.00 N ATOM 1392 CA LEU A 91 4.223 -2.946 -1.342 1.00 0.00 C ATOM 1393 C LEU A 91 4.006 -2.388 -2.745 1.00 0.00 C ATOM 1394 O LEU A 91 3.006 -2.691 -3.397 1.00 0.00 O ATOM 1395 CB LEU A 91 4.225 -4.475 -1.383 1.00 0.00 C ATOM 1396 CG LEU A 91 5.509 -5.131 -1.892 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.388 -6.646 -1.846 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.824 -4.662 -3.305 1.00 0.00 C ATOM 0 H LEU A 91 2.378 -3.074 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 91 5.190 -2.598 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.025 -4.846 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.399 -4.803 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 91 6.330 -4.832 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.311 -7.096 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.211 -6.966 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.556 -6.964 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.741 -5.139 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.002 -4.931 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.954 -3.580 -3.309 1.00 0.00 H new ATOM 1410 N LEU A 92 4.950 -1.574 -3.205 1.00 0.00 N ATOM 1411 CA LEU A 92 4.864 -0.976 -4.532 1.00 0.00 C ATOM 1412 C LEU A 92 6.024 -1.431 -5.411 1.00 0.00 C ATOM 1413 O LEU A 92 7.124 -1.688 -4.922 1.00 0.00 O ATOM 1414 CB LEU A 92 4.858 0.550 -4.426 1.00 0.00 C ATOM 1415 CG LEU A 92 4.309 1.306 -5.637 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.789 1.257 -5.652 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.798 2.747 -5.633 1.00 0.00 C ATOM 0 H LEU A 92 5.784 -1.313 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 92 3.933 -1.306 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.271 0.831 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.879 0.886 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 92 4.677 0.821 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.416 1.800 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.459 0.219 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.401 1.716 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.398 3.270 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.460 3.243 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.887 2.762 -5.671 1.00 0.00 H new