USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 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 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= -1.22 (180deg=-2.45!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 138:sc= -3.13 (180deg=-7.85!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -5.37 K(o=-5.4,f=-9.7!) USER MOD Single : A 55 MET CE :methyl 153:sc= -3.98 (180deg=-6.27!) USER MOD Single : A 60 GLN :FLIP amide:sc= -3.34 F(o=-5.1!,f=-3.3) USER MOD Single : A 65 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.4!) USER MOD Single : A 72 MET CE :methyl -162:sc= -1.28 (180deg=-2.7!) 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 9.088 -3.972 -3.795 1.00 0.00 N ATOM 149 CA PHE A 13 9.595 -3.325 -2.591 1.00 0.00 C ATOM 150 C PHE A 13 8.450 -2.769 -1.750 1.00 0.00 C ATOM 151 O PHE A 13 7.383 -2.441 -2.270 1.00 0.00 O ATOM 152 CB PHE A 13 10.564 -2.200 -2.961 1.00 0.00 C ATOM 153 CG PHE A 13 9.893 -1.013 -3.590 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.224 -0.084 -2.810 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.932 -0.825 -4.963 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.604 1.008 -3.387 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.315 0.266 -5.545 1.00 0.00 C ATOM 158 CZ PHE A 13 8.651 1.184 -4.756 1.00 0.00 C ATOM 0 HA PHE A 13 10.125 -4.073 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.091 -1.876 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.315 -2.590 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.187 -0.215 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.451 -1.540 -5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.083 1.723 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.352 0.400 -6.616 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.169 2.038 -5.209 1.00 0.00 H new ATOM 168 N THR A 14 8.679 -2.665 -0.444 1.00 0.00 N ATOM 169 CA THR A 14 7.667 -2.151 0.471 1.00 0.00 C ATOM 170 C THR A 14 7.840 -0.653 0.695 1.00 0.00 C ATOM 171 O THR A 14 8.900 -0.092 0.419 1.00 0.00 O ATOM 172 CB THR A 14 7.722 -2.872 1.831 1.00 0.00 C ATOM 173 OG1 THR A 14 9.037 -2.767 2.389 1.00 0.00 O ATOM 174 CG2 THR A 14 7.344 -4.338 1.682 1.00 0.00 C ATOM 0 H THR A 14 9.556 -2.930 0.003 1.00 0.00 H new ATOM 0 HA THR A 14 6.698 -2.337 0.009 1.00 0.00 H new ATOM 0 HB THR A 14 7.005 -2.395 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.063 -3.226 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.390 -4.826 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.332 -4.414 1.285 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.039 -4.825 0.998 1.00 0.00 H new ATOM 182 N VAL A 15 6.791 -0.011 1.199 1.00 0.00 N ATOM 183 CA VAL A 15 6.827 1.423 1.463 1.00 0.00 C ATOM 184 C VAL A 15 6.438 1.726 2.905 1.00 0.00 C ATOM 185 O VAL A 15 5.597 1.044 3.489 1.00 0.00 O ATOM 186 CB VAL A 15 5.886 2.191 0.516 1.00 0.00 C ATOM 187 CG1 VAL A 15 6.046 3.692 0.706 1.00 0.00 C ATOM 188 CG2 VAL A 15 6.147 1.798 -0.930 1.00 0.00 C ATOM 0 H VAL A 15 5.906 -0.461 1.433 1.00 0.00 H new ATOM 0 HA VAL A 15 7.852 1.752 1.290 1.00 0.00 H new ATOM 0 HB VAL A 15 4.858 1.925 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.373 4.218 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.804 3.956 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.075 3.978 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.473 2.351 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.179 2.033 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.976 0.728 -1.053 1.00 0.00 H new ATOM 198 N ASP A 16 7.057 2.755 3.475 1.00 0.00 N ATOM 199 CA ASP A 16 6.775 3.151 4.849 1.00 0.00 C ATOM 200 C ASP A 16 6.635 4.666 4.961 1.00 0.00 C ATOM 201 O ASP A 16 7.543 5.412 4.595 1.00 0.00 O ATOM 202 CB ASP A 16 7.882 2.659 5.782 1.00 0.00 C ATOM 203 CG ASP A 16 7.600 2.981 7.236 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.016 4.052 7.505 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.964 2.162 8.106 1.00 0.00 O ATOM 0 H ASP A 16 7.757 3.329 3.006 1.00 0.00 H new ATOM 0 HA ASP A 16 5.831 2.694 5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.997 1.581 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.828 3.114 5.489 1.00 0.00 H new ATOM 210 N MET A 17 5.490 5.114 5.467 1.00 0.00 N ATOM 211 CA MET A 17 5.232 6.540 5.626 1.00 0.00 C ATOM 212 C MET A 17 4.199 6.787 6.722 1.00 0.00 C ATOM 213 O MET A 17 3.632 5.845 7.275 1.00 0.00 O ATOM 214 CB MET A 17 4.747 7.143 4.307 1.00 0.00 C ATOM 215 CG MET A 17 5.237 6.392 3.079 1.00 0.00 C ATOM 216 SD MET A 17 4.631 7.108 1.539 1.00 0.00 S ATOM 217 CE MET A 17 2.888 7.285 1.911 1.00 0.00 C ATOM 0 H MET A 17 4.727 4.510 5.773 1.00 0.00 H new ATOM 0 HA MET A 17 6.166 7.022 5.916 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.657 7.158 4.303 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.080 8.179 4.246 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.327 6.390 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.917 5.352 3.142 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.339 7.495 0.993 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.515 6.362 2.354 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.747 8.107 2.613 1.00 0.00 H new ATOM 227 N GLU A 18 3.961 8.058 7.029 1.00 0.00 N ATOM 228 CA GLU A 18 2.997 8.426 8.060 1.00 0.00 C ATOM 229 C GLU A 18 1.843 9.227 7.463 1.00 0.00 C ATOM 230 O GLU A 18 1.858 9.575 6.282 1.00 0.00 O ATOM 231 CB GLU A 18 3.680 9.238 9.162 1.00 0.00 C ATOM 232 CG GLU A 18 4.353 8.382 10.221 1.00 0.00 C ATOM 233 CD GLU A 18 5.822 8.142 9.932 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.541 9.127 9.661 1.00 0.00 O ATOM 235 OE2 GLU A 18 6.253 6.971 9.976 1.00 0.00 O ATOM 0 H GLU A 18 4.422 8.849 6.579 1.00 0.00 H new ATOM 0 HA GLU A 18 2.596 7.509 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.424 9.894 8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.940 9.879 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.252 8.867 11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.839 7.423 10.288 1.00 0.00 H new ATOM 242 N LYS A 19 0.843 9.516 8.289 1.00 0.00 N ATOM 243 CA LYS A 19 -0.320 10.276 7.846 1.00 0.00 C ATOM 244 C LYS A 19 -0.077 11.775 7.990 1.00 0.00 C ATOM 245 O LYS A 19 0.876 12.200 8.642 1.00 0.00 O ATOM 246 CB LYS A 19 -1.557 9.870 8.651 1.00 0.00 C ATOM 247 CG LYS A 19 -2.861 10.380 8.061 1.00 0.00 C ATOM 248 CD LYS A 19 -4.061 9.672 8.665 1.00 0.00 C ATOM 249 CE LYS A 19 -4.187 8.247 8.147 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.025 8.175 6.919 1.00 0.00 N ATOM 0 H LYS A 19 0.815 9.235 9.269 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.490 10.052 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.598 8.783 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.457 10.246 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.945 11.453 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.855 10.232 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.968 9.659 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.969 10.227 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.195 7.849 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.623 7.616 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.086 7.188 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.980 8.531 7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.596 8.756 6.171 1.00 0.00 H new ATOM 330 N GLY A 25 -1.226 12.094 2.343 1.00 0.00 N ATOM 331 CA GLY A 25 -0.998 12.946 1.191 1.00 0.00 C ATOM 332 C GLY A 25 -0.790 12.154 -0.084 1.00 0.00 C ATOM 333 O GLY A 25 0.062 12.496 -0.905 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.849 13.616 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.124 13.572 1.373 1.00 0.00 H new ATOM 337 N PHE A 26 -1.569 11.090 -0.252 1.00 0.00 N ATOM 338 CA PHE A 26 -1.465 10.245 -1.435 1.00 0.00 C ATOM 339 C PHE A 26 -2.794 9.555 -1.729 1.00 0.00 C ATOM 340 O PHE A 26 -3.475 9.082 -0.819 1.00 0.00 O ATOM 341 CB PHE A 26 -0.365 9.198 -1.246 1.00 0.00 C ATOM 342 CG PHE A 26 -0.853 7.922 -0.622 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.743 7.102 -1.297 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.421 7.542 0.638 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.194 5.927 -0.725 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.869 6.368 1.215 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.755 5.559 0.532 1.00 0.00 C ATOM 0 H PHE A 26 -2.279 10.793 0.417 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.210 10.881 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.081 8.972 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.424 9.620 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.088 7.384 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.274 8.170 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.889 5.297 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.526 6.084 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.104 4.640 0.980 1.00 0.00 H new ATOM 357 N SER A 27 -3.157 9.502 -3.007 1.00 0.00 N ATOM 358 CA SER A 27 -4.406 8.874 -3.422 1.00 0.00 C ATOM 359 C SER A 27 -4.135 7.604 -4.223 1.00 0.00 C ATOM 360 O SER A 27 -3.017 7.374 -4.684 1.00 0.00 O ATOM 361 CB SER A 27 -5.239 9.849 -4.256 1.00 0.00 C ATOM 362 OG SER A 27 -6.537 9.334 -4.497 1.00 0.00 O ATOM 0 H SER A 27 -2.604 9.886 -3.773 1.00 0.00 H new ATOM 0 HA SER A 27 -4.965 8.605 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.314 10.804 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.738 10.040 -5.205 1.00 0.00 H new ATOM 0 HG SER A 27 -7.050 9.976 -5.030 1.00 0.00 H new ATOM 368 N ILE A 28 -5.167 6.782 -4.384 1.00 0.00 N ATOM 369 CA ILE A 28 -5.042 5.536 -5.129 1.00 0.00 C ATOM 370 C ILE A 28 -6.104 5.439 -6.220 1.00 0.00 C ATOM 371 O ILE A 28 -7.047 6.230 -6.254 1.00 0.00 O ATOM 372 CB ILE A 28 -5.161 4.312 -4.203 1.00 0.00 C ATOM 373 CG1 ILE A 28 -5.985 4.661 -2.962 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.780 3.813 -3.805 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.590 3.455 -2.279 1.00 0.00 C ATOM 0 H ILE A 28 -6.099 6.957 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.053 5.540 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.673 3.515 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.350 5.190 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.784 5.346 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.881 2.947 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.224 3.529 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.244 4.604 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.160 3.778 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.251 2.937 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.795 2.779 -1.963 1.00 0.00 H new ATOM 387 N ARG A 29 -5.944 4.464 -7.108 1.00 0.00 N ATOM 388 CA ARG A 29 -6.889 4.263 -8.200 1.00 0.00 C ATOM 389 C ARG A 29 -7.003 2.783 -8.555 1.00 0.00 C ATOM 390 O ARG A 29 -6.136 1.982 -8.208 1.00 0.00 O ATOM 391 CB ARG A 29 -6.456 5.061 -9.431 1.00 0.00 C ATOM 392 CG ARG A 29 -5.322 4.414 -10.209 1.00 0.00 C ATOM 393 CD ARG A 29 -5.335 4.838 -11.669 1.00 0.00 C ATOM 394 NE ARG A 29 -4.656 6.115 -11.874 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.343 6.230 -12.043 1.00 0.00 C ATOM 396 NH1 ARG A 29 -2.573 5.151 -12.032 1.00 0.00 N ATOM 397 NH2 ARG A 29 -2.799 7.427 -12.224 1.00 0.00 N ATOM 0 H ARG A 29 -5.169 3.801 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.866 4.617 -7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.313 5.186 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.147 6.058 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.368 4.687 -9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.407 3.329 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.853 4.070 -12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.366 4.916 -12.015 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.220 6.965 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.988 4.230 -11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.565 5.242 -12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.389 8.259 -12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.791 7.515 -12.354 1.00 0.00 H new ATOM 411 N GLY A 30 -8.081 2.427 -9.248 1.00 0.00 N ATOM 412 CA GLY A 30 -8.289 1.045 -9.637 1.00 0.00 C ATOM 413 C GLY A 30 -8.809 0.193 -8.496 1.00 0.00 C ATOM 414 O GLY A 30 -9.224 0.714 -7.462 1.00 0.00 O ATOM 0 H GLY A 30 -8.813 3.071 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.996 1.007 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.350 0.627 -9.999 1.00 0.00 H new ATOM 418 N GLY A 31 -8.788 -1.123 -8.685 1.00 0.00 N ATOM 419 CA GLY A 31 -9.266 -2.028 -7.655 1.00 0.00 C ATOM 420 C GLY A 31 -10.213 -3.078 -8.200 1.00 0.00 C ATOM 421 O GLY A 31 -10.665 -2.984 -9.341 1.00 0.00 O ATOM 0 H GLY A 31 -8.449 -1.579 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.415 -2.520 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.772 -1.455 -6.878 1.00 0.00 H new ATOM 425 N ARG A 32 -10.513 -4.083 -7.383 1.00 0.00 N ATOM 426 CA ARG A 32 -11.410 -5.157 -7.791 1.00 0.00 C ATOM 427 C ARG A 32 -12.692 -4.594 -8.398 1.00 0.00 C ATOM 428 O ARG A 32 -13.328 -5.235 -9.234 1.00 0.00 O ATOM 429 CB ARG A 32 -11.748 -6.050 -6.596 1.00 0.00 C ATOM 430 CG ARG A 32 -10.770 -7.195 -6.395 1.00 0.00 C ATOM 431 CD ARG A 32 -10.754 -8.130 -7.595 1.00 0.00 C ATOM 432 NE ARG A 32 -9.765 -7.727 -8.590 1.00 0.00 N ATOM 433 CZ ARG A 32 -9.590 -8.353 -9.749 1.00 0.00 C ATOM 434 NH1 ARG A 32 -10.334 -9.406 -10.055 1.00 0.00 N ATOM 435 NH2 ARG A 32 -8.669 -7.926 -10.603 1.00 0.00 N ATOM 0 H ARG A 32 -10.148 -4.175 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.901 -5.753 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.771 -5.440 -5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.750 -6.458 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.769 -6.796 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.042 -7.754 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.539 -9.145 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.743 -8.148 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.176 -6.920 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.043 -9.737 -9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.198 -9.885 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.094 -7.116 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.536 -8.408 -11.492 1.00 0.00 H new ATOM 449 N GLU A 33 -13.066 -3.392 -7.969 1.00 0.00 N ATOM 450 CA GLU A 33 -14.273 -2.744 -8.469 1.00 0.00 C ATOM 451 C GLU A 33 -14.174 -2.496 -9.971 1.00 0.00 C ATOM 452 O GLU A 33 -15.167 -2.590 -10.693 1.00 0.00 O ATOM 453 CB GLU A 33 -14.509 -1.422 -7.736 1.00 0.00 C ATOM 454 CG GLU A 33 -15.976 -1.039 -7.630 1.00 0.00 C ATOM 455 CD GLU A 33 -16.178 0.454 -7.459 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.043 1.190 -8.459 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.472 0.886 -6.325 1.00 0.00 O ATOM 0 H GLU A 33 -12.551 -2.848 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.116 -3.409 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.087 -1.492 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.971 -0.628 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.500 -1.373 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.424 -1.562 -6.785 1.00 0.00 H new ATOM 464 N TYR A 34 -12.970 -2.178 -10.434 1.00 0.00 N ATOM 465 CA TYR A 34 -12.742 -1.913 -11.850 1.00 0.00 C ATOM 466 C TYR A 34 -11.941 -3.041 -12.493 1.00 0.00 C ATOM 467 O TYR A 34 -11.468 -2.917 -13.623 1.00 0.00 O ATOM 468 CB TYR A 34 -12.005 -0.584 -12.028 1.00 0.00 C ATOM 469 CG TYR A 34 -12.495 0.509 -11.106 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.690 1.172 -11.356 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.764 0.879 -9.984 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.142 2.172 -10.516 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.208 1.876 -9.138 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.398 2.520 -9.408 1.00 0.00 C ATOM 475 OH TYR A 34 -13.843 3.515 -8.569 1.00 0.00 O ATOM 0 H TYR A 34 -12.138 -2.097 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.712 -1.853 -12.344 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.940 -0.743 -11.856 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.115 -0.253 -13.061 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.276 0.901 -12.222 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.832 0.378 -9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.073 2.678 -10.726 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.627 2.150 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.203 3.636 -7.837 1.00 0.00 H new ATOM 485 N LYS A 35 -11.794 -4.143 -11.765 1.00 0.00 N ATOM 486 CA LYS A 35 -11.054 -5.296 -12.263 1.00 0.00 C ATOM 487 C LYS A 35 -9.623 -4.909 -12.624 1.00 0.00 C ATOM 488 O LYS A 35 -9.127 -5.261 -13.694 1.00 0.00 O ATOM 489 CB LYS A 35 -11.757 -5.891 -13.485 1.00 0.00 C ATOM 490 CG LYS A 35 -13.128 -6.468 -13.177 1.00 0.00 C ATOM 491 CD LYS A 35 -13.023 -7.806 -12.465 1.00 0.00 C ATOM 492 CE LYS A 35 -14.218 -8.695 -12.770 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.071 -10.049 -12.166 1.00 0.00 N ATOM 0 H LYS A 35 -12.178 -4.262 -10.828 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.021 -6.045 -11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.860 -5.118 -14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.129 -6.675 -13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.687 -5.768 -12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.688 -6.591 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.106 -8.310 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.955 -7.643 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.126 -8.225 -12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.334 -8.790 -13.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.906 -10.625 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.218 -10.508 -12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.986 -9.961 -11.133 1.00 0.00 H new ATOM 507 N MET A 36 -8.966 -4.185 -11.725 1.00 0.00 N ATOM 508 CA MET A 36 -7.591 -3.753 -11.949 1.00 0.00 C ATOM 509 C MET A 36 -6.857 -3.566 -10.625 1.00 0.00 C ATOM 510 O MET A 36 -7.480 -3.458 -9.569 1.00 0.00 O ATOM 511 CB MET A 36 -7.567 -2.448 -12.748 1.00 0.00 C ATOM 512 CG MET A 36 -8.289 -1.301 -12.059 1.00 0.00 C ATOM 513 SD MET A 36 -8.811 -0.017 -13.212 1.00 0.00 S ATOM 514 CE MET A 36 -7.816 1.364 -12.654 1.00 0.00 C ATOM 0 H MET A 36 -9.363 -3.885 -10.835 1.00 0.00 H new ATOM 0 HA MET A 36 -7.081 -4.529 -12.520 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.531 -2.160 -12.927 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.023 -2.620 -13.723 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.162 -1.689 -11.534 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.633 -0.863 -11.307 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.420 1.899 -13.517 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.431 2.039 -12.059 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.990 0.995 -12.046 1.00 0.00 H new ATOM 524 N ASP A 37 -5.531 -3.528 -10.689 1.00 0.00 N ATOM 525 CA ASP A 37 -4.712 -3.354 -9.495 1.00 0.00 C ATOM 526 C ASP A 37 -4.862 -1.943 -8.935 1.00 0.00 C ATOM 527 O ASP A 37 -5.464 -1.073 -9.567 1.00 0.00 O ATOM 528 CB ASP A 37 -3.243 -3.636 -9.813 1.00 0.00 C ATOM 529 CG ASP A 37 -3.056 -4.919 -10.599 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.837 -5.154 -11.544 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.130 -5.689 -10.268 1.00 0.00 O ATOM 0 H ASP A 37 -5.000 -3.615 -11.555 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.055 -4.063 -8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.831 -2.802 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.678 -3.698 -8.883 1.00 0.00 H new ATOM 536 N LEU A 38 -4.312 -1.722 -7.746 1.00 0.00 N ATOM 537 CA LEU A 38 -4.385 -0.416 -7.100 1.00 0.00 C ATOM 538 C LEU A 38 -3.128 0.400 -7.378 1.00 0.00 C ATOM 539 O LEU A 38 -2.029 0.027 -6.967 1.00 0.00 O ATOM 540 CB LEU A 38 -4.576 -0.583 -5.591 1.00 0.00 C ATOM 541 CG LEU A 38 -5.915 -1.169 -5.144 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.749 -1.961 -3.856 1.00 0.00 C ATOM 543 CD2 LEU A 38 -6.948 -0.066 -4.964 1.00 0.00 C ATOM 0 H LEU A 38 -3.811 -2.430 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.241 0.119 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.778 -1.222 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.454 0.392 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.269 -1.847 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.713 -2.370 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.044 -2.776 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.371 -1.305 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.895 -0.503 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.601 0.638 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.090 0.458 -5.909 1.00 0.00 H new ATOM 555 N TYR A 39 -3.297 1.518 -8.076 1.00 0.00 N ATOM 556 CA TYR A 39 -2.176 2.388 -8.410 1.00 0.00 C ATOM 557 C TYR A 39 -2.296 3.730 -7.694 1.00 0.00 C ATOM 558 O TYR A 39 -3.345 4.060 -7.141 1.00 0.00 O ATOM 559 CB TYR A 39 -2.105 2.608 -9.922 1.00 0.00 C ATOM 560 CG TYR A 39 -2.395 1.362 -10.729 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.691 0.878 -10.856 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.372 0.668 -11.363 1.00 0.00 C ATOM 563 CE1 TYR A 39 -3.960 -0.260 -11.591 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.632 -0.470 -12.102 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.927 -0.930 -12.213 1.00 0.00 C ATOM 566 OH TYR A 39 -3.190 -2.064 -12.947 1.00 0.00 O ATOM 0 H TYR A 39 -4.200 1.843 -8.421 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.260 1.900 -8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.816 3.386 -10.201 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.112 2.976 -10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.502 1.401 -10.371 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.356 1.024 -11.277 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.973 -0.623 -11.678 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.825 -0.996 -12.590 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.354 -2.414 -13.320 1.00 0.00 H new ATOM 576 N VAL A 40 -1.213 4.501 -7.711 1.00 0.00 N ATOM 577 CA VAL A 40 -1.196 5.809 -7.066 1.00 0.00 C ATOM 578 C VAL A 40 -1.806 6.875 -7.969 1.00 0.00 C ATOM 579 O VAL A 40 -1.161 7.359 -8.900 1.00 0.00 O ATOM 580 CB VAL A 40 0.236 6.230 -6.689 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.221 7.536 -5.909 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.921 5.131 -5.891 1.00 0.00 C ATOM 0 H VAL A 40 -0.336 4.243 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.792 5.722 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 40 0.803 6.389 -7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.242 7.818 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.228 8.319 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.361 7.408 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.932 5.445 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.357 4.938 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.965 4.221 -6.489 1.00 0.00 H new ATOM 592 N LEU A 41 -3.053 7.237 -7.689 1.00 0.00 N ATOM 593 CA LEU A 41 -3.752 8.247 -8.476 1.00 0.00 C ATOM 594 C LEU A 41 -2.936 9.533 -8.559 1.00 0.00 C ATOM 595 O LEU A 41 -2.473 9.918 -9.633 1.00 0.00 O ATOM 596 CB LEU A 41 -5.124 8.539 -7.865 1.00 0.00 C ATOM 597 CG LEU A 41 -6.096 9.326 -8.744 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.476 10.645 -9.179 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.506 8.502 -9.957 1.00 0.00 C ATOM 0 H LEU A 41 -3.601 6.846 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.886 7.857 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.591 7.590 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.976 9.091 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.989 9.544 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.183 11.191 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.234 11.241 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.566 10.450 -9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.198 9.078 -10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.622 8.253 -10.543 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.992 7.584 -9.626 1.00 0.00 H new ATOM 611 N ARG A 42 -2.762 10.192 -7.418 1.00 0.00 N ATOM 612 CA ARG A 42 -2.001 11.435 -7.362 1.00 0.00 C ATOM 613 C ARG A 42 -1.336 11.603 -5.998 1.00 0.00 C ATOM 614 O ARG A 42 -1.848 11.129 -4.983 1.00 0.00 O ATOM 615 CB ARG A 42 -2.912 12.630 -7.648 1.00 0.00 C ATOM 616 CG ARG A 42 -2.468 13.912 -6.964 1.00 0.00 C ATOM 617 CD ARG A 42 -3.028 14.013 -5.553 1.00 0.00 C ATOM 618 NE ARG A 42 -4.434 14.407 -5.549 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.859 15.618 -5.890 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.991 16.549 -6.261 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.155 15.900 -5.861 1.00 0.00 N ATOM 0 H ARG A 42 -3.137 9.886 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.223 11.390 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.951 12.797 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.925 12.389 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.379 13.948 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.796 14.771 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.919 13.052 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.447 14.738 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.128 13.714 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.994 16.336 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.320 17.478 -6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.826 15.186 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.480 16.830 -6.123 1.00 0.00 H new ATOM 635 N LEU A 43 -0.194 12.281 -5.983 1.00 0.00 N ATOM 636 CA LEU A 43 0.542 12.513 -4.745 1.00 0.00 C ATOM 637 C LEU A 43 0.398 13.961 -4.289 1.00 0.00 C ATOM 638 O LEU A 43 0.222 14.865 -5.106 1.00 0.00 O ATOM 639 CB LEU A 43 2.020 12.170 -4.935 1.00 0.00 C ATOM 640 CG LEU A 43 2.422 10.731 -4.610 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.881 10.491 -4.966 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.173 10.426 -3.140 1.00 0.00 C ATOM 0 H LEU A 43 0.243 12.680 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 43 0.122 11.866 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.290 12.376 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.611 12.841 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 43 1.808 10.059 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.149 9.462 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.029 10.667 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.512 11.172 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.465 9.398 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.761 11.105 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.114 10.556 -2.916 1.00 0.00 H new ATOM 654 N ALA A 44 0.477 14.175 -2.979 1.00 0.00 N ATOM 655 CA ALA A 44 0.361 15.514 -2.415 1.00 0.00 C ATOM 656 C ALA A 44 1.724 16.191 -2.322 1.00 0.00 C ATOM 657 O ALA A 44 2.620 15.709 -1.630 1.00 0.00 O ATOM 658 CB ALA A 44 -0.295 15.454 -1.044 1.00 0.00 C ATOM 0 H ALA A 44 0.621 13.438 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.266 16.108 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.375 16.461 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.290 15.019 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.310 14.839 -0.378 1.00 0.00 H new ATOM 664 N GLU A 45 1.874 17.309 -3.024 1.00 0.00 N ATOM 665 CA GLU A 45 3.130 18.051 -3.021 1.00 0.00 C ATOM 666 C GLU A 45 3.493 18.499 -1.608 1.00 0.00 C ATOM 667 O GLU A 45 4.661 18.738 -1.303 1.00 0.00 O ATOM 668 CB GLU A 45 3.032 19.267 -3.944 1.00 0.00 C ATOM 669 CG GLU A 45 1.977 20.273 -3.516 1.00 0.00 C ATOM 670 CD GLU A 45 1.554 21.192 -4.646 1.00 0.00 C ATOM 671 OE1 GLU A 45 1.053 20.682 -5.670 1.00 0.00 O ATOM 672 OE2 GLU A 45 1.725 22.421 -4.506 1.00 0.00 O ATOM 0 H GLU A 45 1.142 17.721 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 45 3.915 17.389 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.002 19.764 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.809 18.928 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.104 19.740 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.365 20.872 -2.692 1.00 0.00 H new ATOM 679 N ASP A 46 2.484 18.610 -0.752 1.00 0.00 N ATOM 680 CA ASP A 46 2.696 19.029 0.629 1.00 0.00 C ATOM 681 C ASP A 46 2.309 17.917 1.600 1.00 0.00 C ATOM 682 O ASP A 46 1.960 18.177 2.750 1.00 0.00 O ATOM 683 CB ASP A 46 1.887 20.291 0.932 1.00 0.00 C ATOM 684 CG ASP A 46 2.340 20.978 2.205 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.240 21.840 2.127 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.794 20.654 3.280 1.00 0.00 O ATOM 0 H ASP A 46 1.511 18.416 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 46 3.756 19.247 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.976 20.985 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.832 20.031 1.019 1.00 0.00 H new ATOM 691 N GLY A 47 2.374 16.676 1.126 1.00 0.00 N ATOM 692 CA GLY A 47 2.027 15.544 1.964 1.00 0.00 C ATOM 693 C GLY A 47 3.239 14.728 2.368 1.00 0.00 C ATOM 694 O GLY A 47 4.332 14.890 1.825 1.00 0.00 O ATOM 0 H GLY A 47 2.661 16.435 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.519 15.901 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.323 14.904 1.432 1.00 0.00 H new ATOM 698 N PRO A 48 3.052 13.827 3.344 1.00 0.00 N ATOM 699 CA PRO A 48 4.129 12.965 3.842 1.00 0.00 C ATOM 700 C PRO A 48 4.551 11.915 2.820 1.00 0.00 C ATOM 701 O PRO A 48 5.691 11.452 2.827 1.00 0.00 O ATOM 702 CB PRO A 48 3.507 12.295 5.070 1.00 0.00 C ATOM 703 CG PRO A 48 2.040 12.319 4.813 1.00 0.00 C ATOM 704 CD PRO A 48 1.776 13.579 4.036 1.00 0.00 C ATOM 0 HA PRO A 48 5.035 13.530 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.871 11.275 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.758 12.833 5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.728 11.440 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.480 12.313 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.955 13.452 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.507 14.407 4.692 1.00 0.00 H new ATOM 712 N ALA A 49 3.625 11.545 1.941 1.00 0.00 N ATOM 713 CA ALA A 49 3.903 10.552 0.911 1.00 0.00 C ATOM 714 C ALA A 49 4.943 11.064 -0.079 1.00 0.00 C ATOM 715 O ALA A 49 6.038 10.511 -0.184 1.00 0.00 O ATOM 716 CB ALA A 49 2.621 10.173 0.184 1.00 0.00 C ATOM 0 H ALA A 49 2.676 11.918 1.922 1.00 0.00 H new ATOM 0 HA ALA A 49 4.309 9.665 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.843 9.431 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.908 9.757 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.192 11.059 -0.283 1.00 0.00 H new ATOM 722 N ILE A 50 4.594 12.122 -0.802 1.00 0.00 N ATOM 723 CA ILE A 50 5.499 12.708 -1.783 1.00 0.00 C ATOM 724 C ILE A 50 6.897 12.890 -1.202 1.00 0.00 C ATOM 725 O ILE A 50 7.883 12.946 -1.937 1.00 0.00 O ATOM 726 CB ILE A 50 4.982 14.070 -2.283 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.471 14.334 -3.708 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.432 15.183 -1.348 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.608 15.315 -4.471 1.00 0.00 C ATOM 0 H ILE A 50 3.691 12.591 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 50 5.545 12.015 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 50 3.892 14.047 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.492 14.715 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.503 13.391 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.059 16.139 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.039 14.999 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.521 15.209 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.014 15.454 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.592 14.927 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.595 16.272 -3.949 1.00 0.00 H new ATOM 741 N ARG A 51 6.975 12.979 0.122 1.00 0.00 N ATOM 742 CA ARG A 51 8.252 13.154 0.802 1.00 0.00 C ATOM 743 C ARG A 51 8.958 11.813 0.986 1.00 0.00 C ATOM 744 O ARG A 51 10.186 11.742 0.987 1.00 0.00 O ATOM 745 CB ARG A 51 8.043 13.823 2.162 1.00 0.00 C ATOM 746 CG ARG A 51 7.542 15.255 2.065 1.00 0.00 C ATOM 747 CD ARG A 51 6.976 15.737 3.392 1.00 0.00 C ATOM 748 NE ARG A 51 8.028 16.129 4.326 1.00 0.00 N ATOM 749 CZ ARG A 51 7.828 16.304 5.627 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.621 16.123 6.146 1.00 0.00 N ATOM 751 NH2 ARG A 51 8.836 16.661 6.413 1.00 0.00 N ATOM 0 H ARG A 51 6.168 12.933 0.745 1.00 0.00 H new ATOM 0 HA ARG A 51 8.880 13.794 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.330 13.236 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.984 13.813 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.359 15.908 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.774 15.322 1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.313 16.584 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.372 14.946 3.837 1.00 0.00 H new ATOM 0 HE ARG A 51 8.968 16.276 3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.844 15.849 5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.470 16.258 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.766 16.801 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.681 16.795 7.412 1.00 0.00 H new ATOM 765 N ASN A 52 8.171 10.753 1.141 1.00 0.00 N ATOM 766 CA ASN A 52 8.721 9.415 1.327 1.00 0.00 C ATOM 767 C ASN A 52 9.617 9.027 0.155 1.00 0.00 C ATOM 768 O ASN A 52 10.802 8.748 0.332 1.00 0.00 O ATOM 769 CB ASN A 52 7.591 8.394 1.479 1.00 0.00 C ATOM 770 CG ASN A 52 7.921 7.065 0.827 1.00 0.00 C ATOM 771 OD1 ASN A 52 8.924 6.431 1.157 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.077 6.637 -0.105 1.00 0.00 N ATOM 0 H ASN A 52 7.152 10.794 1.142 1.00 0.00 H new ATOM 0 HA ASN A 52 9.323 9.420 2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.388 8.236 2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.680 8.796 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.248 5.750 -0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.258 7.195 -0.347 1.00 0.00 H new ATOM 779 N GLY A 53 9.042 9.013 -1.044 1.00 0.00 N ATOM 780 CA GLY A 53 9.803 8.659 -2.228 1.00 0.00 C ATOM 781 C GLY A 53 9.595 7.216 -2.641 1.00 0.00 C ATOM 782 O GLY A 53 9.248 6.935 -3.788 1.00 0.00 O ATOM 0 H GLY A 53 8.063 9.241 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.515 9.314 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.863 8.831 -2.040 1.00 0.00 H new ATOM 786 N ARG A 54 9.810 6.297 -1.704 1.00 0.00 N ATOM 787 CA ARG A 54 9.647 4.875 -1.978 1.00 0.00 C ATOM 788 C ARG A 54 8.471 4.634 -2.920 1.00 0.00 C ATOM 789 O ARG A 54 8.463 3.668 -3.683 1.00 0.00 O ATOM 790 CB ARG A 54 9.435 4.104 -0.674 1.00 0.00 C ATOM 791 CG ARG A 54 10.663 4.074 0.222 1.00 0.00 C ATOM 792 CD ARG A 54 11.600 2.937 -0.154 1.00 0.00 C ATOM 793 NE ARG A 54 12.925 3.102 0.437 1.00 0.00 N ATOM 794 CZ ARG A 54 13.879 3.858 -0.097 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.654 4.515 -1.226 1.00 0.00 N ATOM 796 NH2 ARG A 54 15.059 3.958 0.500 1.00 0.00 N ATOM 0 H ARG A 54 10.097 6.513 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 54 10.556 4.517 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.607 4.554 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.143 3.081 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.193 5.024 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.354 3.963 1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.172 1.990 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.691 2.886 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 54 13.130 2.610 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.747 4.441 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.388 5.094 -1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.235 3.455 1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.791 4.538 0.090 1.00 0.00 H new ATOM 810 N MET A 55 7.481 5.518 -2.861 1.00 0.00 N ATOM 811 CA MET A 55 6.301 5.401 -3.709 1.00 0.00 C ATOM 812 C MET A 55 6.075 6.683 -4.505 1.00 0.00 C ATOM 813 O MET A 55 6.357 7.780 -4.025 1.00 0.00 O ATOM 814 CB MET A 55 5.066 5.088 -2.862 1.00 0.00 C ATOM 815 CG MET A 55 4.379 6.326 -2.309 1.00 0.00 C ATOM 816 SD MET A 55 3.034 5.927 -1.177 1.00 0.00 S ATOM 817 CE MET A 55 1.639 6.642 -2.044 1.00 0.00 C ATOM 0 H MET A 55 7.472 6.323 -2.235 1.00 0.00 H new ATOM 0 HA MET A 55 6.468 4.583 -4.410 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.354 4.527 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.358 4.444 -2.033 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.113 6.943 -1.791 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.989 6.920 -3.135 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.729 6.107 -1.773 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.538 7.692 -1.768 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.800 6.563 -3.119 1.00 0.00 H new ATOM 827 N ARG A 56 5.564 6.535 -5.723 1.00 0.00 N ATOM 828 CA ARG A 56 5.302 7.681 -6.586 1.00 0.00 C ATOM 829 C ARG A 56 3.988 7.504 -7.341 1.00 0.00 C ATOM 830 O ARG A 56 3.275 6.519 -7.145 1.00 0.00 O ATOM 831 CB ARG A 56 6.450 7.873 -7.578 1.00 0.00 C ATOM 832 CG ARG A 56 7.506 8.858 -7.104 1.00 0.00 C ATOM 833 CD ARG A 56 8.539 8.183 -6.215 1.00 0.00 C ATOM 834 NE ARG A 56 9.852 8.813 -6.325 1.00 0.00 N ATOM 835 CZ ARG A 56 10.990 8.200 -6.020 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.976 6.946 -5.589 1.00 0.00 N ATOM 837 NH2 ARG A 56 12.145 8.840 -6.147 1.00 0.00 N ATOM 0 H ARG A 56 5.323 5.633 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 56 5.223 8.567 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.923 6.909 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.044 8.218 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.002 9.304 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.028 9.670 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.205 8.221 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.618 7.130 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 56 9.898 9.777 -6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.090 6.450 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.851 6.477 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.160 9.804 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.018 8.368 -5.912 1.00 0.00 H new ATOM 851 N VAL A 57 3.672 8.465 -8.203 1.00 0.00 N ATOM 852 CA VAL A 57 2.444 8.415 -8.988 1.00 0.00 C ATOM 853 C VAL A 57 2.607 7.514 -10.207 1.00 0.00 C ATOM 854 O VAL A 57 3.640 7.536 -10.875 1.00 0.00 O ATOM 855 CB VAL A 57 2.019 9.820 -9.455 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.769 9.741 -10.317 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.795 10.733 -8.259 1.00 0.00 C ATOM 0 H VAL A 57 4.249 9.288 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 57 1.670 8.006 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 57 2.822 10.241 -10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.484 10.743 -10.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.969 9.123 -11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.044 9.300 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.495 11.722 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.011 10.318 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.718 10.815 -7.686 1.00 0.00 H new ATOM 867 N GLY A 58 1.578 6.721 -10.492 1.00 0.00 N ATOM 868 CA GLY A 58 1.627 5.823 -11.631 1.00 0.00 C ATOM 869 C GLY A 58 2.050 4.420 -11.245 1.00 0.00 C ATOM 870 O GLY A 58 1.726 3.454 -11.937 1.00 0.00 O ATOM 0 H GLY A 58 0.712 6.685 -9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.645 5.786 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.322 6.218 -12.372 1.00 0.00 H new ATOM 874 N ASP A 59 2.778 4.306 -10.140 1.00 0.00 N ATOM 875 CA ASP A 59 3.248 3.010 -9.664 1.00 0.00 C ATOM 876 C ASP A 59 2.084 2.039 -9.496 1.00 0.00 C ATOM 877 O ASP A 59 0.920 2.433 -9.563 1.00 0.00 O ATOM 878 CB ASP A 59 3.990 3.169 -8.336 1.00 0.00 C ATOM 879 CG ASP A 59 5.374 3.763 -8.514 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.330 2.987 -8.720 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.501 5.004 -8.446 1.00 0.00 O ATOM 0 H ASP A 59 3.056 5.095 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 59 3.933 2.604 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.407 3.806 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.075 2.196 -7.852 1.00 0.00 H new ATOM 886 N GLN A 60 2.407 0.768 -9.280 1.00 0.00 N ATOM 887 CA GLN A 60 1.387 -0.260 -9.105 1.00 0.00 C ATOM 888 C GLN A 60 1.538 -0.952 -7.754 1.00 0.00 C ATOM 889 O GLN A 60 2.558 -1.585 -7.481 1.00 0.00 O ATOM 890 CB GLN A 60 1.474 -1.291 -10.232 1.00 0.00 C ATOM 891 CG GLN A 60 0.204 -2.107 -10.409 1.00 0.00 C ATOM 892 CD GLN A 60 0.205 -3.376 -9.579 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.506 -3.351 -8.458 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.838 -4.368 -9.942 1.00 0.00 N flip ATOM 0 H GLN A 60 3.366 0.425 -9.222 1.00 0.00 H new ATOM 0 HA GLN A 60 0.410 0.223 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.699 -0.777 -11.167 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.305 -1.967 -10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.656 -1.497 -10.133 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.087 -2.366 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.371 -4.343 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.829 -5.215 -9.373 1.00 0.00 H new ATOM 903 N ILE A 61 0.516 -0.826 -6.914 1.00 0.00 N ATOM 904 CA ILE A 61 0.535 -1.440 -5.592 1.00 0.00 C ATOM 905 C ILE A 61 -0.058 -2.844 -5.630 1.00 0.00 C ATOM 906 O ILE A 61 -1.172 -3.046 -6.115 1.00 0.00 O ATOM 907 CB ILE A 61 -0.243 -0.594 -4.567 1.00 0.00 C ATOM 908 CG1 ILE A 61 0.149 0.880 -4.688 1.00 0.00 C ATOM 909 CG2 ILE A 61 0.015 -1.101 -3.156 1.00 0.00 C ATOM 910 CD1 ILE A 61 -0.960 1.834 -4.300 1.00 0.00 C ATOM 0 H ILE A 61 -0.335 -0.305 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 61 1.579 -1.497 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.309 -0.686 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.018 1.070 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.450 1.084 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.542 -0.493 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.308 -2.139 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.080 -1.035 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.612 2.861 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.822 1.672 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.246 1.657 -3.263 1.00 0.00 H new ATOM 922 N ILE A 62 0.692 -3.811 -5.113 1.00 0.00 N ATOM 923 CA ILE A 62 0.240 -5.197 -5.085 1.00 0.00 C ATOM 924 C ILE A 62 -0.181 -5.609 -3.678 1.00 0.00 C ATOM 925 O ILE A 62 -0.872 -6.611 -3.495 1.00 0.00 O ATOM 926 CB ILE A 62 1.335 -6.157 -5.583 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.722 -5.583 -5.284 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.174 -6.418 -7.073 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.116 -4.448 -6.202 1.00 0.00 C ATOM 0 H ILE A 62 1.616 -3.660 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.619 -5.262 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 62 1.233 -7.105 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.746 -5.231 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.462 -6.380 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.956 -7.099 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.198 -6.865 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.253 -5.477 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.110 -4.090 -5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.125 -4.800 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.398 -3.634 -6.103 1.00 0.00 H new ATOM 941 N GLU A 63 0.238 -4.828 -2.688 1.00 0.00 N ATOM 942 CA GLU A 63 -0.096 -5.112 -1.297 1.00 0.00 C ATOM 943 C GLU A 63 -0.406 -3.824 -0.538 1.00 0.00 C ATOM 944 O GLU A 63 0.142 -2.765 -0.843 1.00 0.00 O ATOM 945 CB GLU A 63 1.053 -5.855 -0.614 1.00 0.00 C ATOM 946 CG GLU A 63 0.707 -6.368 0.774 1.00 0.00 C ATOM 947 CD GLU A 63 1.936 -6.616 1.627 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.507 -5.635 2.146 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.326 -7.793 1.776 1.00 0.00 O ATOM 0 H GLU A 63 0.809 -3.994 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.984 -5.743 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.353 -6.696 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.913 -5.189 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.062 -5.645 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.139 -7.294 0.684 1.00 0.00 H new ATOM 956 N ILE A 64 -1.288 -3.925 0.450 1.00 0.00 N ATOM 957 CA ILE A 64 -1.670 -2.770 1.253 1.00 0.00 C ATOM 958 C ILE A 64 -1.839 -3.151 2.720 1.00 0.00 C ATOM 959 O ILE A 64 -2.667 -3.994 3.061 1.00 0.00 O ATOM 960 CB ILE A 64 -2.980 -2.140 0.744 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.736 -1.392 -0.568 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.560 -1.204 1.794 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.999 -0.845 -1.196 1.00 0.00 C ATOM 0 H ILE A 64 -1.752 -4.794 0.714 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.865 -2.041 1.160 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.700 -2.936 0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.045 -0.569 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.250 -2.064 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.486 -0.766 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.766 -1.764 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.844 -0.410 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.750 -0.327 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.683 -1.666 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.475 -0.147 -0.507 1.00 0.00 H new ATOM 975 N ASN A 65 -1.048 -2.523 3.583 1.00 0.00 N ATOM 976 CA ASN A 65 -1.110 -2.795 5.015 1.00 0.00 C ATOM 977 C ASN A 65 -0.984 -4.290 5.290 1.00 0.00 C ATOM 978 O ASN A 65 -1.484 -4.791 6.296 1.00 0.00 O ATOM 979 CB ASN A 65 -2.421 -2.266 5.599 1.00 0.00 C ATOM 980 CG ASN A 65 -2.305 -0.831 6.076 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.209 -0.346 6.357 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.438 -0.145 6.170 1.00 0.00 N ATOM 0 H ASN A 65 -0.356 -1.822 3.316 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.275 -2.284 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.205 -2.333 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.726 -2.899 6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.422 0.825 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.324 -0.588 5.926 1.00 0.00 H new ATOM 1072 N MET A 72 -9.393 -6.898 -3.434 1.00 0.00 N ATOM 1073 CA MET A 72 -9.891 -5.722 -2.731 1.00 0.00 C ATOM 1074 C MET A 72 -10.307 -4.635 -3.717 1.00 0.00 C ATOM 1075 O MET A 72 -9.691 -4.469 -4.771 1.00 0.00 O ATOM 1076 CB MET A 72 -8.824 -5.180 -1.778 1.00 0.00 C ATOM 1077 CG MET A 72 -7.923 -6.259 -1.199 1.00 0.00 C ATOM 1078 SD MET A 72 -7.012 -5.698 0.253 1.00 0.00 S ATOM 1079 CE MET A 72 -6.583 -4.031 -0.241 1.00 0.00 C ATOM 0 HA MET A 72 -10.766 -6.019 -2.153 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.211 -4.452 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.313 -4.650 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.527 -7.126 -0.932 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.217 -6.585 -1.962 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.768 -3.665 0.383 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.269 -4.030 -1.285 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.451 -3.382 -0.123 1.00 0.00 H new ATOM 1089 N THR A 73 -11.356 -3.896 -3.370 1.00 0.00 N ATOM 1090 CA THR A 73 -11.855 -2.826 -4.225 1.00 0.00 C ATOM 1091 C THR A 73 -11.270 -1.479 -3.817 1.00 0.00 C ATOM 1092 O THR A 73 -10.817 -1.304 -2.685 1.00 0.00 O ATOM 1093 CB THR A 73 -13.392 -2.741 -4.180 1.00 0.00 C ATOM 1094 OG1 THR A 73 -13.835 -2.600 -2.826 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.021 -3.981 -4.798 1.00 0.00 C ATOM 0 H THR A 73 -11.877 -4.019 -2.502 1.00 0.00 H new ATOM 0 HA THR A 73 -11.542 -3.062 -5.242 1.00 0.00 H new ATOM 0 HB THR A 73 -13.703 -1.870 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.813 -2.545 -2.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.107 -3.898 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.705 -4.070 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.702 -4.865 -4.245 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.285 -0.527 -4.745 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.757 0.807 -4.481 1.00 0.00 C ATOM 1105 C HIS A 74 -11.217 1.313 -3.117 1.00 0.00 C ATOM 1106 O HIS A 74 -10.524 2.096 -2.469 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.200 1.779 -5.575 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.368 3.023 -5.643 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.665 4.082 -6.475 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.244 3.374 -4.975 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.758 5.030 -6.317 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.885 4.626 -5.412 1.00 0.00 N ATOM 0 H HIS A 74 -11.657 -0.655 -5.686 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.669 0.747 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.160 1.271 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.240 2.056 -5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.726 2.780 -4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.735 5.975 -6.839 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.076 5.157 -5.090 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.391 0.860 -2.689 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.943 1.266 -1.402 1.00 0.00 C ATOM 1123 C ALA A 75 -12.156 0.652 -0.249 1.00 0.00 C ATOM 1124 O ALA A 75 -11.747 1.351 0.678 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.410 0.875 -1.310 1.00 0.00 C ATOM 0 H ALA A 75 -12.978 0.212 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.862 2.350 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.809 1.184 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.968 1.366 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.506 -0.206 -1.413 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.950 -0.660 -0.313 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.214 -1.368 0.727 1.00 0.00 C ATOM 1133 C ARG A 76 -9.894 -0.667 1.034 1.00 0.00 C ATOM 1134 O ARG A 76 -9.600 -0.352 2.186 1.00 0.00 O ATOM 1135 CB ARG A 76 -10.948 -2.813 0.300 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.104 -3.597 1.292 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.603 -3.411 2.716 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.301 -4.566 3.557 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.881 -4.794 4.730 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.791 -3.950 5.198 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.553 -5.868 5.437 1.00 0.00 N ATOM 0 H ARG A 76 -12.282 -1.253 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.824 -1.369 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.901 -3.324 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.447 -2.810 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.125 -4.656 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.065 -3.273 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.146 -2.520 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.680 -3.243 2.704 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.606 -5.235 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.047 -3.124 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.235 -4.127 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.855 -6.520 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.999 -6.042 6.338 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.103 -0.425 -0.007 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.815 0.240 0.151 1.00 0.00 C ATOM 1157 C ALA A 77 -7.970 1.570 0.881 1.00 0.00 C ATOM 1158 O ALA A 77 -7.258 1.844 1.848 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.162 0.454 -1.206 1.00 0.00 C ATOM 0 H ALA A 77 -9.332 -0.679 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.173 -0.403 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.201 0.951 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.008 -0.510 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.809 1.074 -1.827 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.904 2.391 0.414 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.152 3.692 1.023 1.00 0.00 C ATOM 1167 C ILE A 78 -9.564 3.544 2.484 1.00 0.00 C ATOM 1168 O ILE A 78 -9.516 4.505 3.252 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.247 4.468 0.268 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.897 4.571 -1.218 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.427 5.852 0.873 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.080 5.797 -1.562 1.00 0.00 C ATOM 0 H ILE A 78 -9.502 2.178 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.218 4.251 0.966 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.188 3.926 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.344 3.680 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.818 4.583 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.204 6.389 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.716 5.757 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.489 6.404 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.869 5.805 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.640 6.694 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.142 5.777 -1.007 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.967 2.335 2.860 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.387 2.062 4.230 1.00 0.00 C ATOM 1186 C GLU A 79 -9.231 1.498 5.051 1.00 0.00 C ATOM 1187 O GLU A 79 -9.126 1.751 6.252 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.562 1.082 4.242 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.567 0.152 5.443 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.967 -0.254 5.861 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.714 -0.772 5.005 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -13.316 -0.053 7.043 1.00 0.00 O ATOM 0 H GLU A 79 -10.012 1.529 2.236 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.704 3.003 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.495 1.646 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.535 0.485 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.989 -0.742 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.070 0.643 6.280 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.367 0.731 4.395 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.218 0.129 5.063 1.00 0.00 C ATOM 1201 C LEU A 80 -6.187 1.190 5.435 1.00 0.00 C ATOM 1202 O LEU A 80 -5.598 1.145 6.515 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.577 -0.928 4.163 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.423 -2.170 3.878 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.590 -3.234 3.180 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -8.019 -2.716 5.167 1.00 0.00 C ATOM 0 H LEU A 80 -8.440 0.511 3.402 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.569 -0.347 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.322 -0.460 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.641 -1.248 4.622 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.241 -1.886 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.208 -4.110 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.212 -2.839 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.752 -3.516 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.618 -3.599 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.216 -2.985 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.650 -1.956 5.627 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.977 2.145 4.535 1.00 0.00 N ATOM 1219 CA ILE A 81 -5.020 3.218 4.771 1.00 0.00 C ATOM 1220 C ILE A 81 -5.358 3.987 6.044 1.00 0.00 C ATOM 1221 O ILE A 81 -4.470 4.475 6.742 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.975 4.202 3.587 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.721 3.450 2.279 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.902 5.257 3.815 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.226 4.179 1.054 1.00 0.00 C ATOM 0 H ILE A 81 -6.457 2.197 3.636 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.042 2.750 4.882 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.940 4.703 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.650 3.275 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.200 2.472 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.883 5.945 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.124 5.810 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.930 4.773 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.012 3.587 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.302 4.330 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.729 5.146 0.975 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.649 4.089 6.341 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.107 4.795 7.531 1.00 0.00 C ATOM 1239 C LYS A 82 -7.371 3.821 8.674 1.00 0.00 C ATOM 1240 O LYS A 82 -7.547 4.228 9.822 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.378 5.590 7.221 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.229 4.972 6.125 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.473 5.800 5.852 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.137 7.082 5.106 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.322 7.640 4.399 1.00 0.00 N ATOM 0 H LYS A 82 -7.397 3.691 5.773 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.320 5.484 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.975 5.674 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.101 6.602 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.641 4.885 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.519 3.962 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.181 5.213 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.963 6.044 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.753 7.821 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.344 6.885 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.051 8.513 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.674 6.945 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.070 7.852 5.090 1.00 0.00 H new ATOM 1259 N SER A 83 -7.394 2.531 8.353 1.00 0.00 N ATOM 1260 CA SER A 83 -7.639 1.498 9.353 1.00 0.00 C ATOM 1261 C SER A 83 -6.364 1.181 10.129 1.00 0.00 C ATOM 1262 O SER A 83 -6.414 0.802 11.298 1.00 0.00 O ATOM 1263 CB SER A 83 -8.172 0.229 8.686 1.00 0.00 C ATOM 1264 OG SER A 83 -8.583 -0.722 9.653 1.00 0.00 O ATOM 0 H SER A 83 -7.246 2.176 7.408 1.00 0.00 H new ATOM 0 HA SER A 83 -8.386 1.873 10.052 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.012 0.480 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.399 -0.204 8.051 1.00 0.00 H new ATOM 0 HG SER A 83 -8.921 -1.523 9.201 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.221 1.339 9.468 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.949 1.066 10.110 1.00 0.00 C ATOM 1272 C GLY A 84 -3.600 2.095 11.167 1.00 0.00 C ATOM 1273 O GLY A 84 -3.136 1.748 12.252 1.00 0.00 O ATOM 0 H GLY A 84 -5.154 1.651 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.981 0.077 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.162 1.043 9.356 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.821 3.367 10.848 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.519 4.430 11.789 1.00 0.00 C ATOM 1279 C GLY A 85 -2.789 5.589 11.139 1.00 0.00 C ATOM 1280 O GLY A 85 -3.211 6.092 10.098 1.00 0.00 O ATOM 0 H GLY A 85 -4.203 3.680 9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.446 4.792 12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.911 4.031 12.601 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.691 6.014 11.755 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.902 7.123 11.231 1.00 0.00 C ATOM 1286 C ARG A 86 0.187 6.618 10.289 1.00 0.00 C ATOM 1287 O ARG A 86 0.659 7.352 9.420 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.272 7.915 12.378 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.090 9.123 12.805 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.793 9.517 14.244 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.623 8.783 15.195 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.896 9.074 15.438 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -3.482 10.079 14.802 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.585 8.359 16.318 1.00 0.00 N ATOM 0 H ARG A 86 -1.327 5.608 12.617 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.569 7.777 10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.140 7.255 13.235 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.721 8.248 12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.873 9.963 12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.152 8.901 12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.259 9.330 14.461 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.959 10.587 14.368 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.202 8.004 15.701 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.955 10.630 14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.460 10.301 14.990 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.137 7.585 16.809 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.563 8.583 16.504 1.00 0.00 H new ATOM 1308 N ARG A 87 0.582 5.362 10.468 1.00 0.00 N ATOM 1309 CA ARG A 87 1.616 4.760 9.636 1.00 0.00 C ATOM 1310 C ARG A 87 1.020 3.713 8.700 1.00 0.00 C ATOM 1311 O ARG A 87 0.267 2.839 9.129 1.00 0.00 O ATOM 1312 CB ARG A 87 2.697 4.122 10.510 1.00 0.00 C ATOM 1313 CG ARG A 87 3.312 5.081 11.516 1.00 0.00 C ATOM 1314 CD ARG A 87 3.859 4.343 12.728 1.00 0.00 C ATOM 1315 NE ARG A 87 5.202 3.821 12.491 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.028 3.450 13.462 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.650 3.542 14.730 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.235 2.984 13.167 1.00 0.00 N ATOM 0 H ARG A 87 0.201 4.741 11.182 1.00 0.00 H new ATOM 0 HA ARG A 87 2.065 5.548 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.267 3.275 11.044 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.485 3.727 9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.114 5.645 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.562 5.804 11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.878 5.017 13.585 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.191 3.521 12.984 1.00 0.00 H new ATOM 0 HE ARG A 87 5.523 3.737 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.723 3.898 14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.287 3.256 15.474 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.529 2.910 12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.868 2.699 13.914 1.00 0.00 H new ATOM 1332 N VAL A 88 1.362 3.808 7.419 1.00 0.00 N ATOM 1333 CA VAL A 88 0.861 2.869 6.422 1.00 0.00 C ATOM 1334 C VAL A 88 2.007 2.211 5.662 1.00 0.00 C ATOM 1335 O VAL A 88 3.014 2.853 5.359 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.075 3.565 5.416 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.672 4.645 4.650 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.683 2.547 4.463 1.00 0.00 C ATOM 0 H VAL A 88 1.984 4.526 7.047 1.00 0.00 H new ATOM 0 HA VAL A 88 0.300 2.105 6.960 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.885 4.041 5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.006 5.125 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.054 5.389 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.504 4.196 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.342 3.056 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.112 2.041 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.256 1.814 5.031 1.00 0.00 H new ATOM 1348 N ARG A 89 1.848 0.928 5.356 1.00 0.00 N ATOM 1349 CA ARG A 89 2.870 0.183 4.631 1.00 0.00 C ATOM 1350 C ARG A 89 2.250 -0.626 3.495 1.00 0.00 C ATOM 1351 O ARG A 89 1.385 -1.473 3.722 1.00 0.00 O ATOM 1352 CB ARG A 89 3.623 -0.749 5.583 1.00 0.00 C ATOM 1353 CG ARG A 89 4.566 -1.708 4.876 1.00 0.00 C ATOM 1354 CD ARG A 89 5.113 -2.758 5.832 1.00 0.00 C ATOM 1355 NE ARG A 89 5.552 -3.961 5.131 1.00 0.00 N ATOM 1356 CZ ARG A 89 5.953 -5.066 5.748 1.00 0.00 C ATOM 1357 NH1 ARG A 89 5.970 -5.121 7.073 1.00 0.00 N ATOM 1358 NH2 ARG A 89 6.338 -6.121 5.041 1.00 0.00 N ATOM 0 H ARG A 89 1.021 0.383 5.599 1.00 0.00 H new ATOM 0 HA ARG A 89 3.572 0.899 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.193 -0.148 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.901 -1.324 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.041 -2.199 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.392 -1.149 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.950 -2.339 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.345 -3.022 6.559 1.00 0.00 H new ATOM 0 HE ARG A 89 5.551 -3.952 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.674 -4.313 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.279 -5.971 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.326 -6.084 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.646 -6.969 5.517 1.00 0.00 H new ATOM 1372 N LEU A 90 2.698 -0.359 2.274 1.00 0.00 N ATOM 1373 CA LEU A 90 2.187 -1.061 1.101 1.00 0.00 C ATOM 1374 C LEU A 90 3.326 -1.469 0.172 1.00 0.00 C ATOM 1375 O LEU A 90 4.358 -0.801 0.107 1.00 0.00 O ATOM 1376 CB LEU A 90 1.190 -0.178 0.347 1.00 0.00 C ATOM 1377 CG LEU A 90 1.388 1.331 0.492 1.00 0.00 C ATOM 1378 CD1 LEU A 90 1.033 2.042 -0.805 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.553 1.871 1.644 1.00 0.00 C ATOM 0 H LEU A 90 3.414 0.338 2.070 1.00 0.00 H new ATOM 0 HA LEU A 90 1.679 -1.963 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.240 -0.431 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.185 -0.427 0.687 1.00 0.00 H new ATOM 0 HG LEU A 90 2.439 1.521 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.180 3.115 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.674 1.677 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.009 1.844 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.707 2.947 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.501 1.669 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.855 1.384 2.571 1.00 0.00 H new ATOM 1391 N LEU A 91 3.130 -2.569 -0.547 1.00 0.00 N ATOM 1392 CA LEU A 91 4.140 -3.066 -1.475 1.00 0.00 C ATOM 1393 C LEU A 91 3.961 -2.447 -2.857 1.00 0.00 C ATOM 1394 O LEU A 91 2.934 -2.644 -3.509 1.00 0.00 O ATOM 1395 CB LEU A 91 4.065 -4.591 -1.572 1.00 0.00 C ATOM 1396 CG LEU A 91 5.309 -5.290 -2.121 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.127 -6.800 -2.096 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.611 -4.811 -3.534 1.00 0.00 C ATOM 0 H LEU A 91 2.281 -3.133 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 91 5.121 -2.780 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.858 -4.989 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.216 -4.854 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 91 6.156 -5.035 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.022 -7.281 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.960 -7.129 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.268 -7.073 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.500 -5.319 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.764 -5.035 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.786 -3.735 -3.524 1.00 0.00 H new ATOM 1410 N LEU A 92 4.966 -1.700 -3.300 1.00 0.00 N ATOM 1411 CA LEU A 92 4.921 -1.054 -4.607 1.00 0.00 C ATOM 1412 C LEU A 92 6.159 -1.399 -5.428 1.00 0.00 C ATOM 1413 O LEU A 92 7.249 -1.576 -4.884 1.00 0.00 O ATOM 1414 CB LEU A 92 4.811 0.463 -4.444 1.00 0.00 C ATOM 1415 CG LEU A 92 4.338 1.238 -5.674 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.818 1.254 -5.743 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.887 2.657 -5.655 1.00 0.00 C ATOM 0 H LEU A 92 5.822 -1.527 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 92 4.042 -1.422 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.125 0.671 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.787 0.848 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 92 4.717 0.735 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.500 1.810 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.446 0.231 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.418 1.732 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.540 3.193 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.539 3.170 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.977 2.626 -5.655 1.00 0.00 H new