USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 39 GLN : amide:sc= -8.41! C(o=-8.6!,f=-8.7!) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 14 SER OG : rot 180:sc= -1.16 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.933! USER MOD Single : A 35 ASN : amide:sc= 0.0849 K(o=0.085,f=-1.1!) USER MOD Single : A 36 THR OG1 : rot -86:sc= -1.16! USER MOD Single : A 41 HIS : no HD1:sc=-0.00286 X(o=-0.0029,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.018) USER MOD Single : A 47 CYS SG : rot -81:sc= -1.59 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 3:sc= 0.483 USER MOD Single : A 64 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.041) USER MOD Single : A 68 CYS SG : rot -160:sc= -0.975 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -102:sc= 1.16 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 163:sc= -0.234 (180deg=-1.14) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.983 (180deg=-1.05) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -145:sc= -4.16! (180deg=-6.09!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -0.868 15.437 -12.152 1.00 0.00 N ATOM 121 CA ARG A 12 -1.419 14.599 -13.203 1.00 0.00 C ATOM 122 C ARG A 12 -1.318 13.123 -12.813 1.00 0.00 C ATOM 123 O ARG A 12 -0.236 12.633 -12.494 1.00 0.00 O ATOM 124 CB ARG A 12 -0.683 14.820 -14.526 1.00 0.00 C ATOM 125 CG ARG A 12 -1.651 14.754 -15.710 1.00 0.00 C ATOM 126 CD ARG A 12 -1.663 13.356 -16.330 1.00 0.00 C ATOM 127 NE ARG A 12 -2.088 13.434 -17.746 1.00 0.00 N ATOM 128 CZ ARG A 12 -2.436 12.372 -18.485 1.00 0.00 C ATOM 129 NH1 ARG A 12 -2.411 11.145 -17.949 1.00 0.00 N ATOM 130 NH2 ARG A 12 -2.809 12.538 -19.762 1.00 0.00 N ATOM 0 HA ARG A 12 -2.466 14.874 -13.331 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.186 15.790 -14.512 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.094 14.065 -14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.655 15.017 -15.378 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.361 15.487 -16.463 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.670 12.911 -16.264 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.340 12.708 -15.774 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.118 14.354 -18.186 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.127 11.019 -16.978 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.676 10.337 -18.512 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.828 13.472 -20.170 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.074 11.730 -20.325 1.00 0.00 H new ATOM 144 N TRP A 13 -2.462 12.455 -12.851 1.00 0.00 N ATOM 145 CA TRP A 13 -2.517 11.045 -12.505 1.00 0.00 C ATOM 146 C TRP A 13 -2.782 10.253 -13.787 1.00 0.00 C ATOM 147 O TRP A 13 -3.321 10.792 -14.753 1.00 0.00 O ATOM 148 CB TRP A 13 -3.561 10.787 -11.417 1.00 0.00 C ATOM 149 CG TRP A 13 -3.162 11.311 -10.035 1.00 0.00 C ATOM 150 CD1 TRP A 13 -3.183 12.576 -9.596 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.680 10.526 -8.925 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.751 12.664 -8.288 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.435 11.378 -7.867 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.457 9.142 -8.817 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.955 10.941 -6.626 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.978 8.722 -7.571 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.726 9.566 -6.496 1.00 0.00 C ATOM 0 H TRP A 13 -3.358 12.864 -13.116 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.568 10.715 -12.082 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.502 11.252 -11.713 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.743 9.714 -11.349 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.498 13.421 -10.190 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.677 13.516 -7.733 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.641 8.457 -9.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.771 11.628 -5.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.791 7.667 -7.435 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.355 9.163 -5.565 1.00 0.00 H new ATOM 168 N SER A 14 -2.391 8.988 -13.755 1.00 0.00 N ATOM 169 CA SER A 14 -2.580 8.117 -14.903 1.00 0.00 C ATOM 170 C SER A 14 -3.910 7.370 -14.780 1.00 0.00 C ATOM 171 O SER A 14 -4.635 7.543 -13.802 1.00 0.00 O ATOM 172 CB SER A 14 -1.424 7.124 -15.037 1.00 0.00 C ATOM 173 OG SER A 14 -0.809 7.191 -16.321 1.00 0.00 O ATOM 0 H SER A 14 -1.944 8.545 -12.952 1.00 0.00 H new ATOM 0 HA SER A 14 -2.599 8.734 -15.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.680 7.328 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.793 6.113 -14.864 1.00 0.00 H new ATOM 0 HG SER A 14 -0.075 6.543 -16.366 1.00 0.00 H new ATOM 179 N PRO A 15 -4.197 6.533 -15.813 1.00 0.00 N ATOM 180 CA PRO A 15 -5.426 5.759 -15.830 1.00 0.00 C ATOM 181 C PRO A 15 -5.347 4.583 -14.854 1.00 0.00 C ATOM 182 O PRO A 15 -4.269 4.043 -14.613 1.00 0.00 O ATOM 183 CB PRO A 15 -5.596 5.321 -17.275 1.00 0.00 C ATOM 184 CG PRO A 15 -4.227 5.469 -17.919 1.00 0.00 C ATOM 185 CD PRO A 15 -3.362 6.303 -16.988 1.00 0.00 C ATOM 0 HA PRO A 15 -6.290 6.335 -15.499 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.945 4.290 -17.332 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.336 5.937 -17.785 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.776 4.491 -18.085 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.313 5.950 -18.893 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.444 5.778 -16.725 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.069 7.243 -17.456 1.00 0.00 H new ATOM 193 N PRO A 16 -6.534 4.212 -14.304 1.00 0.00 N ATOM 194 CA PRO A 16 -6.610 3.110 -13.360 1.00 0.00 C ATOM 195 C PRO A 16 -6.481 1.764 -14.077 1.00 0.00 C ATOM 196 O PRO A 16 -7.061 1.567 -15.143 1.00 0.00 O ATOM 197 CB PRO A 16 -7.947 3.284 -12.658 1.00 0.00 C ATOM 198 CG PRO A 16 -8.771 4.196 -13.552 1.00 0.00 C ATOM 199 CD PRO A 16 -7.831 4.829 -14.566 1.00 0.00 C ATOM 0 HA PRO A 16 -5.793 3.117 -12.638 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.442 2.323 -12.517 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.815 3.722 -11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.553 3.630 -14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.267 4.965 -12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.162 4.637 -15.587 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.787 5.911 -14.443 1.00 0.00 H new ATOM 207 N ARG A 17 -5.717 0.873 -13.462 1.00 0.00 N ATOM 208 CA ARG A 17 -5.505 -0.448 -14.027 1.00 0.00 C ATOM 209 C ARG A 17 -6.613 -1.402 -13.578 1.00 0.00 C ATOM 210 O ARG A 17 -7.455 -1.039 -12.757 1.00 0.00 O ATOM 211 CB ARG A 17 -4.149 -1.017 -13.605 1.00 0.00 C ATOM 212 CG ARG A 17 -3.033 0.008 -13.819 1.00 0.00 C ATOM 213 CD ARG A 17 -1.684 -0.685 -14.021 1.00 0.00 C ATOM 214 NE ARG A 17 -0.713 -0.204 -13.013 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.563 -0.746 -11.796 1.00 0.00 C ATOM 216 NH1 ARG A 17 -1.320 -1.789 -11.429 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.344 -0.244 -10.947 1.00 0.00 N ATOM 0 H ARG A 17 -5.237 1.041 -12.578 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.523 -0.351 -15.112 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.184 -1.308 -12.555 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.934 -1.919 -14.179 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.263 0.625 -14.688 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.978 0.676 -12.959 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.804 -1.765 -13.936 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.309 -0.484 -15.024 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.121 0.589 -13.260 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.010 -2.171 -12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.206 -2.201 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.920 0.550 -11.227 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.459 -0.656 -10.021 1.00 0.00 H new ATOM 231 N GLY A 18 -6.578 -2.604 -14.135 1.00 0.00 N ATOM 232 CA GLY A 18 -7.569 -3.613 -13.802 1.00 0.00 C ATOM 233 C GLY A 18 -6.899 -4.936 -13.425 1.00 0.00 C ATOM 234 O GLY A 18 -6.708 -5.803 -14.277 1.00 0.00 O ATOM 0 H GLY A 18 -5.878 -2.902 -14.815 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.184 -3.264 -12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.235 -3.768 -14.651 1.00 0.00 H new ATOM 238 N ILE A 19 -6.561 -5.049 -12.149 1.00 0.00 N ATOM 239 CA ILE A 19 -5.917 -6.252 -11.650 1.00 0.00 C ATOM 240 C ILE A 19 -6.986 -7.246 -11.193 1.00 0.00 C ATOM 241 O ILE A 19 -8.061 -6.846 -10.748 1.00 0.00 O ATOM 242 CB ILE A 19 -4.898 -5.902 -10.563 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.082 -4.668 -10.953 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.004 -7.102 -10.243 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.012 -4.363 -9.903 1.00 0.00 C ATOM 0 H ILE A 19 -6.721 -4.328 -11.446 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.349 -6.737 -12.444 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.442 -5.653 -9.652 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.610 -4.831 -11.922 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.744 -3.809 -11.062 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.289 -6.827 -9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.619 -7.930 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.466 -7.405 -11.141 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.447 -3.481 -10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.489 -4.176 -8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.337 -5.214 -9.814 1.00 0.00 H new ATOM 257 N HIS A 20 -6.654 -8.523 -11.319 1.00 0.00 N ATOM 258 CA HIS A 20 -7.573 -9.577 -10.924 1.00 0.00 C ATOM 259 C HIS A 20 -6.818 -10.645 -10.130 1.00 0.00 C ATOM 260 O HIS A 20 -5.996 -11.371 -10.686 1.00 0.00 O ATOM 261 CB HIS A 20 -8.301 -10.148 -12.143 1.00 0.00 C ATOM 262 CG HIS A 20 -7.478 -10.137 -13.410 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.837 -9.408 -14.530 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.312 -10.773 -13.721 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.921 -9.604 -15.467 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.977 -10.450 -14.964 1.00 0.00 N ATOM 0 H HIS A 20 -5.762 -8.851 -11.689 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.344 -9.167 -10.272 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.602 -11.173 -11.926 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.214 -9.576 -12.310 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.756 -11.428 -13.067 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.922 -9.170 -16.456 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.150 -10.780 -15.461 1.00 0.00 H new ATOM 274 N PHE A 21 -7.124 -10.706 -8.843 1.00 0.00 N ATOM 275 CA PHE A 21 -6.485 -11.673 -7.967 1.00 0.00 C ATOM 276 C PHE A 21 -7.371 -11.990 -6.760 1.00 0.00 C ATOM 277 O PHE A 21 -8.436 -11.397 -6.595 1.00 0.00 O ATOM 278 CB PHE A 21 -5.182 -11.039 -7.476 1.00 0.00 C ATOM 279 CG PHE A 21 -5.381 -9.753 -6.670 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.769 -8.611 -7.298 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.170 -9.753 -5.327 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.953 -7.418 -6.551 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.354 -8.559 -4.580 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.742 -7.417 -5.208 1.00 0.00 C ATOM 0 H PHE A 21 -7.806 -10.101 -8.385 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.307 -12.603 -8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.647 -11.762 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.549 -10.822 -8.336 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.937 -8.612 -8.365 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.863 -10.660 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.261 -6.511 -7.050 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.186 -8.558 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.883 -6.509 -4.640 1.00 0.00 H new ATOM 294 N THR A 22 -6.898 -12.924 -5.948 1.00 0.00 N ATOM 295 CA THR A 22 -7.634 -13.326 -4.761 1.00 0.00 C ATOM 296 C THR A 22 -6.863 -12.936 -3.498 1.00 0.00 C ATOM 297 O THR A 22 -5.800 -13.489 -3.220 1.00 0.00 O ATOM 298 CB THR A 22 -7.912 -14.827 -4.864 1.00 0.00 C ATOM 299 OG1 THR A 22 -9.107 -14.906 -5.637 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.298 -15.444 -3.518 1.00 0.00 C ATOM 0 H THR A 22 -6.014 -13.414 -6.088 1.00 0.00 H new ATOM 0 HA THR A 22 -8.590 -12.807 -4.693 1.00 0.00 H new ATOM 0 HB THR A 22 -7.030 -15.334 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.359 -15.846 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.485 -16.510 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.485 -15.301 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.199 -14.961 -3.141 1.00 0.00 H new ATOM 308 N VAL A 23 -7.430 -11.987 -2.767 1.00 0.00 N ATOM 309 CA VAL A 23 -6.809 -11.516 -1.541 1.00 0.00 C ATOM 310 C VAL A 23 -6.429 -12.718 -0.673 1.00 0.00 C ATOM 311 O VAL A 23 -7.216 -13.651 -0.520 1.00 0.00 O ATOM 312 CB VAL A 23 -7.740 -10.534 -0.827 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.224 -10.212 0.577 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.926 -9.258 -1.650 1.00 0.00 C ATOM 0 H VAL A 23 -8.312 -11.532 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.891 -10.971 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.715 -11.010 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.904 -9.512 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.168 -11.129 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.232 -9.765 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.592 -8.577 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.959 -8.777 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.359 -9.509 -2.618 1.00 0.00 H new ATOM 324 N GLU A 24 -5.223 -12.656 -0.128 1.00 0.00 N ATOM 325 CA GLU A 24 -4.730 -13.728 0.720 1.00 0.00 C ATOM 326 C GLU A 24 -4.686 -13.272 2.180 1.00 0.00 C ATOM 327 O GLU A 24 -3.906 -12.390 2.535 1.00 0.00 O ATOM 328 CB GLU A 24 -3.353 -14.207 0.254 1.00 0.00 C ATOM 329 CG GLU A 24 -2.875 -15.397 1.088 1.00 0.00 C ATOM 330 CD GLU A 24 -2.384 -16.534 0.189 1.00 0.00 C ATOM 331 OE1 GLU A 24 -1.371 -16.310 -0.507 1.00 0.00 O ATOM 332 OE2 GLU A 24 -3.034 -17.602 0.220 1.00 0.00 O ATOM 0 H GLU A 24 -4.573 -11.881 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.417 -14.571 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.399 -14.491 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.634 -13.391 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.071 -15.081 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.689 -15.753 1.720 1.00 0.00 H new ATOM 339 N GLU A 25 -5.533 -13.894 2.986 1.00 0.00 N ATOM 340 CA GLU A 25 -5.601 -13.563 4.400 1.00 0.00 C ATOM 341 C GLU A 25 -4.548 -14.351 5.180 1.00 0.00 C ATOM 342 O GLU A 25 -4.597 -14.412 6.408 1.00 0.00 O ATOM 343 CB GLU A 25 -7.003 -13.820 4.956 1.00 0.00 C ATOM 344 CG GLU A 25 -7.993 -12.767 4.457 1.00 0.00 C ATOM 345 CD GLU A 25 -8.571 -11.961 5.622 1.00 0.00 C ATOM 346 OE1 GLU A 25 -8.889 -12.597 6.650 1.00 0.00 O ATOM 347 OE2 GLU A 25 -8.680 -10.726 5.459 1.00 0.00 O ATOM 0 H GLU A 25 -6.178 -14.625 2.688 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.390 -12.500 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.340 -14.812 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.973 -13.809 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.494 -12.096 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.801 -13.253 3.910 1.00 0.00 H new ATOM 354 N GLY A 26 -3.620 -14.935 4.436 1.00 0.00 N ATOM 355 CA GLY A 26 -2.556 -15.717 5.044 1.00 0.00 C ATOM 356 C GLY A 26 -1.183 -15.230 4.577 1.00 0.00 C ATOM 357 O GLY A 26 -0.155 -15.715 5.048 1.00 0.00 O ATOM 0 H GLY A 26 -3.583 -14.883 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.622 -15.645 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.680 -16.769 4.786 1.00 0.00 H new ATOM 361 N ASP A 27 -1.209 -14.276 3.657 1.00 0.00 N ATOM 362 CA ASP A 27 0.021 -13.718 3.122 1.00 0.00 C ATOM 363 C ASP A 27 -0.315 -12.751 1.985 1.00 0.00 C ATOM 364 O ASP A 27 0.012 -13.011 0.828 1.00 0.00 O ATOM 365 CB ASP A 27 0.924 -14.817 2.557 1.00 0.00 C ATOM 366 CG ASP A 27 2.423 -14.522 2.629 1.00 0.00 C ATOM 367 OD1 ASP A 27 3.023 -14.879 3.666 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.936 -13.946 1.646 1.00 0.00 O ATOM 0 H ASP A 27 -2.063 -13.876 3.269 1.00 0.00 H new ATOM 0 HA ASP A 27 0.540 -13.206 3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.725 -15.743 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.653 -14.990 1.516 1.00 0.00 H new ATOM 373 N LEU A 28 -0.964 -11.657 2.354 1.00 0.00 N ATOM 374 CA LEU A 28 -1.348 -10.650 1.379 1.00 0.00 C ATOM 375 C LEU A 28 -0.245 -10.517 0.329 1.00 0.00 C ATOM 376 O LEU A 28 -0.527 -10.321 -0.853 1.00 0.00 O ATOM 377 CB LEU A 28 -1.695 -9.333 2.078 1.00 0.00 C ATOM 378 CG LEU A 28 -3.138 -9.195 2.569 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.321 -7.906 3.373 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.125 -9.288 1.404 1.00 0.00 C ATOM 0 H LEU A 28 -1.234 -11.445 3.315 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.253 -10.953 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.028 -9.211 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.486 -8.513 1.390 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.352 -10.027 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.355 -7.831 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.657 -7.919 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.082 -7.048 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.143 -9.187 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.921 -8.490 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.015 -10.253 0.910 1.00 0.00 H new ATOM 392 N GLY A 29 0.990 -10.627 0.796 1.00 0.00 N ATOM 393 CA GLY A 29 2.138 -10.522 -0.089 1.00 0.00 C ATOM 394 C GLY A 29 2.706 -9.101 -0.082 1.00 0.00 C ATOM 395 O GLY A 29 3.918 -8.913 -0.180 1.00 0.00 O ATOM 0 H GLY A 29 1.221 -10.788 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.908 -11.227 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.847 -10.796 -1.103 1.00 0.00 H new ATOM 399 N PHE A 30 1.804 -8.138 0.034 1.00 0.00 N ATOM 400 CA PHE A 30 2.200 -6.740 0.055 1.00 0.00 C ATOM 401 C PHE A 30 1.643 -6.030 1.291 1.00 0.00 C ATOM 402 O PHE A 30 1.085 -6.671 2.180 1.00 0.00 O ATOM 403 CB PHE A 30 1.613 -6.090 -1.200 1.00 0.00 C ATOM 404 CG PHE A 30 0.086 -6.138 -1.269 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.656 -5.285 -0.513 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.530 -7.033 -2.087 1.00 0.00 C ATOM 407 CE1 PHE A 30 -2.074 -5.330 -0.577 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.948 -7.078 -2.151 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.690 -6.225 -1.395 1.00 0.00 C ATOM 0 H PHE A 30 0.800 -8.298 0.114 1.00 0.00 H new ATOM 0 HA PHE A 30 3.287 -6.662 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.936 -5.050 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.022 -6.587 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.167 -4.574 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.059 -7.710 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.663 -4.653 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.437 -7.789 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.768 -6.258 -1.444 1.00 0.00 H new ATOM 419 N THR A 31 1.813 -4.716 1.306 1.00 0.00 N ATOM 420 CA THR A 31 1.334 -3.913 2.418 1.00 0.00 C ATOM 421 C THR A 31 0.823 -2.560 1.917 1.00 0.00 C ATOM 422 O THR A 31 0.918 -2.258 0.729 1.00 0.00 O ATOM 423 CB THR A 31 2.468 -3.794 3.438 1.00 0.00 C ATOM 424 OG1 THR A 31 2.323 -2.479 3.967 1.00 0.00 O ATOM 425 CG2 THR A 31 3.849 -3.780 2.780 1.00 0.00 C ATOM 0 H THR A 31 2.276 -4.188 0.566 1.00 0.00 H new ATOM 0 HA THR A 31 0.483 -4.385 2.910 1.00 0.00 H new ATOM 0 HB THR A 31 2.410 -4.624 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.018 -2.318 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.617 -3.694 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.996 -4.705 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.919 -2.931 2.100 1.00 0.00 H new ATOM 433 N LEU A 32 0.293 -1.782 2.849 1.00 0.00 N ATOM 434 CA LEU A 32 -0.233 -0.469 2.518 1.00 0.00 C ATOM 435 C LEU A 32 0.359 0.569 3.473 1.00 0.00 C ATOM 436 O LEU A 32 0.210 0.455 4.689 1.00 0.00 O ATOM 437 CB LEU A 32 -1.763 -0.492 2.506 1.00 0.00 C ATOM 438 CG LEU A 32 -2.411 -1.671 1.777 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.936 -1.559 1.799 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.866 -1.801 0.353 1.00 0.00 C ATOM 0 H LEU A 32 0.217 -2.036 3.834 1.00 0.00 H new ATOM 0 HA LEU A 32 0.066 -0.182 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.115 -0.491 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.117 0.432 2.048 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.149 -2.586 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.371 -2.410 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.285 -1.552 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.240 -0.635 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.343 -2.646 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.078 -0.887 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.789 -1.962 0.389 1.00 0.00 H new ATOM 452 N ARG A 33 1.017 1.558 2.887 1.00 0.00 N ATOM 453 CA ARG A 33 1.632 2.615 3.670 1.00 0.00 C ATOM 454 C ARG A 33 1.546 3.948 2.924 1.00 0.00 C ATOM 455 O ARG A 33 1.330 3.973 1.713 1.00 0.00 O ATOM 456 CB ARG A 33 3.099 2.299 3.967 1.00 0.00 C ATOM 457 CG ARG A 33 3.870 2.011 2.676 1.00 0.00 C ATOM 458 CD ARG A 33 4.709 3.219 2.257 1.00 0.00 C ATOM 459 NE ARG A 33 6.146 2.866 2.270 1.00 0.00 N ATOM 460 CZ ARG A 33 7.111 3.625 1.732 1.00 0.00 C ATOM 461 NH1 ARG A 33 6.798 4.784 1.137 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.389 3.225 1.790 1.00 0.00 N ATOM 0 H ARG A 33 1.138 1.649 1.878 1.00 0.00 H new ATOM 0 HA ARG A 33 1.089 2.687 4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.557 3.139 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.162 1.438 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.518 1.146 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.171 1.756 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.416 3.548 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.525 4.053 2.934 1.00 0.00 H new ATOM 0 HE ARG A 33 6.419 1.990 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.826 5.089 1.094 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.532 5.362 0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.627 2.343 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.123 3.803 1.381 1.00 0.00 H new ATOM 476 N GLY A 34 1.718 5.024 3.677 1.00 0.00 N ATOM 477 CA GLY A 34 1.663 6.357 3.102 1.00 0.00 C ATOM 478 C GLY A 34 0.259 6.952 3.232 1.00 0.00 C ATOM 479 O GLY A 34 -0.562 6.453 4.001 1.00 0.00 O ATOM 0 H GLY A 34 1.896 5.000 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.384 7.003 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.949 6.316 2.051 1.00 0.00 H new ATOM 483 N ASN A 35 0.026 8.010 2.470 1.00 0.00 N ATOM 484 CA ASN A 35 -1.264 8.679 2.490 1.00 0.00 C ATOM 485 C ASN A 35 -2.116 8.169 1.326 1.00 0.00 C ATOM 486 O ASN A 35 -1.706 7.263 0.602 1.00 0.00 O ATOM 487 CB ASN A 35 -1.103 10.192 2.331 1.00 0.00 C ATOM 488 CG ASN A 35 -0.111 10.523 1.214 1.00 0.00 C ATOM 489 OD1 ASN A 35 1.095 10.486 1.388 1.00 0.00 O ATOM 490 ND2 ASN A 35 -0.686 10.849 0.060 1.00 0.00 N ATOM 0 H ASN A 35 0.709 8.421 1.834 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.739 8.466 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.070 10.643 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.757 10.625 3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.110 11.088 -0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.703 10.860 -0.018 1.00 0.00 H new ATOM 497 N THR A 36 -3.286 8.773 1.182 1.00 0.00 N ATOM 498 CA THR A 36 -4.199 8.391 0.118 1.00 0.00 C ATOM 499 C THR A 36 -3.926 9.216 -1.141 1.00 0.00 C ATOM 500 O THR A 36 -3.644 10.411 -1.056 1.00 0.00 O ATOM 501 CB THR A 36 -5.628 8.542 0.645 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.446 8.131 -0.447 1.00 0.00 O ATOM 503 CG2 THR A 36 -6.017 10.004 0.873 1.00 0.00 C ATOM 0 H THR A 36 -3.623 9.524 1.784 1.00 0.00 H new ATOM 0 HA THR A 36 -4.053 7.351 -0.175 1.00 0.00 H new ATOM 0 HB THR A 36 -5.730 7.990 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.607 8.894 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.040 10.054 1.247 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.342 10.451 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.947 10.550 -0.068 1.00 0.00 H new ATOM 511 N PRO A 37 -4.022 8.529 -2.310 1.00 0.00 N ATOM 512 CA PRO A 37 -4.361 7.116 -2.322 1.00 0.00 C ATOM 513 C PRO A 37 -3.171 6.263 -1.878 1.00 0.00 C ATOM 514 O PRO A 37 -2.053 6.454 -2.355 1.00 0.00 O ATOM 515 CB PRO A 37 -4.798 6.829 -3.749 1.00 0.00 C ATOM 516 CG PRO A 37 -4.249 7.969 -4.591 1.00 0.00 C ATOM 517 CD PRO A 37 -3.811 9.076 -3.647 1.00 0.00 C ATOM 0 HA PRO A 37 -5.156 6.868 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.410 5.869 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.884 6.778 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.408 7.627 -5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.009 8.334 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.766 9.341 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.397 9.982 -3.801 1.00 0.00 H new ATOM 525 N VAL A 38 -3.452 5.340 -0.970 1.00 0.00 N ATOM 526 CA VAL A 38 -2.419 4.457 -0.456 1.00 0.00 C ATOM 527 C VAL A 38 -1.697 3.787 -1.627 1.00 0.00 C ATOM 528 O VAL A 38 -2.301 3.528 -2.667 1.00 0.00 O ATOM 529 CB VAL A 38 -3.029 3.452 0.523 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.463 4.142 1.817 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.198 2.702 -0.118 1.00 0.00 C ATOM 0 H VAL A 38 -4.380 5.185 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.675 5.025 0.103 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.261 2.721 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.893 3.405 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.598 4.608 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.208 4.905 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.613 1.994 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.969 3.414 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.846 2.163 -0.998 1.00 0.00 H new ATOM 541 N GLN A 39 -0.415 3.527 -1.420 1.00 0.00 N ATOM 542 CA GLN A 39 0.396 2.893 -2.446 1.00 0.00 C ATOM 543 C GLN A 39 0.696 1.442 -2.064 1.00 0.00 C ATOM 544 O GLN A 39 0.492 1.043 -0.918 1.00 0.00 O ATOM 545 CB GLN A 39 1.689 3.676 -2.685 1.00 0.00 C ATOM 546 CG GLN A 39 1.596 4.511 -3.963 1.00 0.00 C ATOM 547 CD GLN A 39 2.494 5.747 -3.877 1.00 0.00 C ATOM 548 OE1 GLN A 39 2.115 6.787 -3.365 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.703 5.574 -4.404 1.00 0.00 N ATOM 0 H GLN A 39 0.083 3.744 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.168 2.893 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.886 4.328 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.529 2.985 -2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.888 3.904 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.563 4.818 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.956 4.676 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.378 6.339 -4.395 1.00 0.00 H new ATOM 558 N VAL A 40 1.174 0.692 -3.046 1.00 0.00 N ATOM 559 CA VAL A 40 1.504 -0.706 -2.827 1.00 0.00 C ATOM 560 C VAL A 40 3.021 -0.853 -2.694 1.00 0.00 C ATOM 561 O VAL A 40 3.770 -0.404 -3.560 1.00 0.00 O ATOM 562 CB VAL A 40 0.917 -1.564 -3.949 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.388 -3.015 -3.834 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.611 -1.483 -3.959 1.00 0.00 C ATOM 0 H VAL A 40 1.341 1.026 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 40 1.060 -1.062 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 40 1.280 -1.168 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.956 -3.603 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.475 -3.051 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.069 -3.426 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.003 -2.102 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.001 -1.840 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.920 -0.449 -4.112 1.00 0.00 H new ATOM 574 N HIS A 41 3.429 -1.483 -1.602 1.00 0.00 N ATOM 575 CA HIS A 41 4.843 -1.695 -1.344 1.00 0.00 C ATOM 576 C HIS A 41 5.160 -3.190 -1.417 1.00 0.00 C ATOM 577 O HIS A 41 5.338 -3.841 -0.389 1.00 0.00 O ATOM 578 CB HIS A 41 5.253 -1.066 -0.011 1.00 0.00 C ATOM 579 CG HIS A 41 6.742 -1.068 0.237 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.554 0.012 -0.065 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.557 -2.027 0.763 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.799 -0.296 0.266 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.799 -1.560 0.779 1.00 0.00 N ATOM 0 H HIS A 41 2.805 -1.854 -0.886 1.00 0.00 H new ATOM 0 HA HIS A 41 5.435 -1.196 -2.111 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.891 -0.038 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.759 -1.603 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.244 -3.001 1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.663 0.342 0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.619 -2.063 1.119 1.00 0.00 H new ATOM 591 N PHE A 42 5.221 -3.690 -2.642 1.00 0.00 N ATOM 592 CA PHE A 42 5.514 -5.096 -2.863 1.00 0.00 C ATOM 593 C PHE A 42 6.595 -5.589 -1.899 1.00 0.00 C ATOM 594 O PHE A 42 7.685 -5.023 -1.841 1.00 0.00 O ATOM 595 CB PHE A 42 6.029 -5.226 -4.298 1.00 0.00 C ATOM 596 CG PHE A 42 4.936 -5.521 -5.327 1.00 0.00 C ATOM 597 CD1 PHE A 42 4.009 -6.485 -5.078 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.891 -4.819 -6.491 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.995 -6.759 -6.033 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.876 -5.093 -7.446 1.00 0.00 C ATOM 601 CZ PHE A 42 2.950 -6.057 -7.197 1.00 0.00 C ATOM 0 H PHE A 42 5.072 -3.147 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 42 4.617 -5.693 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.536 -4.302 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.773 -6.022 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.044 -7.042 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.627 -4.054 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.259 -7.525 -5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.840 -4.535 -8.370 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.179 -6.265 -7.924 1.00 0.00 H new ATOM 611 N LEU A 43 6.254 -6.639 -1.165 1.00 0.00 N ATOM 612 CA LEU A 43 7.182 -7.214 -0.207 1.00 0.00 C ATOM 613 C LEU A 43 7.746 -8.521 -0.770 1.00 0.00 C ATOM 614 O LEU A 43 8.875 -8.898 -0.461 1.00 0.00 O ATOM 615 CB LEU A 43 6.512 -7.372 1.159 1.00 0.00 C ATOM 616 CG LEU A 43 6.606 -6.166 2.096 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.916 -6.453 3.431 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.061 -5.732 2.286 1.00 0.00 C ATOM 0 H LEU A 43 5.348 -7.106 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 43 8.027 -6.545 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.459 -7.602 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.954 -8.232 1.661 1.00 0.00 H new ATOM 0 HG LEU A 43 6.078 -5.332 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.998 -5.580 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.864 -6.678 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.394 -7.306 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.100 -4.873 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.633 -6.554 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.488 -5.459 1.321 1.00 0.00 H new ATOM 630 N ASP A 44 6.933 -9.175 -1.587 1.00 0.00 N ATOM 631 CA ASP A 44 7.336 -10.431 -2.196 1.00 0.00 C ATOM 632 C ASP A 44 7.200 -10.322 -3.716 1.00 0.00 C ATOM 633 O ASP A 44 6.190 -9.832 -4.219 1.00 0.00 O ATOM 634 CB ASP A 44 6.448 -11.583 -1.723 1.00 0.00 C ATOM 635 CG ASP A 44 7.190 -12.882 -1.403 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.899 -12.892 -0.374 1.00 0.00 O ATOM 637 OD2 ASP A 44 7.030 -13.836 -2.194 1.00 0.00 O ATOM 0 H ASP A 44 5.997 -8.859 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 44 8.368 -10.630 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.907 -11.263 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.704 -11.788 -2.492 1.00 0.00 H new ATOM 642 N PRO A 45 8.259 -10.800 -4.424 1.00 0.00 N ATOM 643 CA PRO A 45 8.267 -10.761 -5.876 1.00 0.00 C ATOM 644 C PRO A 45 7.349 -11.837 -6.458 1.00 0.00 C ATOM 645 O PRO A 45 7.129 -11.883 -7.668 1.00 0.00 O ATOM 646 CB PRO A 45 9.724 -10.949 -6.266 1.00 0.00 C ATOM 647 CG PRO A 45 10.408 -11.548 -5.048 1.00 0.00 C ATOM 648 CD PRO A 45 9.472 -11.387 -3.862 1.00 0.00 C ATOM 0 HA PRO A 45 7.880 -9.823 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.815 -11.609 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.180 -9.998 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.633 -12.601 -5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.356 -11.046 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.265 -12.346 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.907 -10.742 -3.099 1.00 0.00 H new ATOM 656 N HIS A 46 6.837 -12.677 -5.570 1.00 0.00 N ATOM 657 CA HIS A 46 5.947 -13.750 -5.981 1.00 0.00 C ATOM 658 C HIS A 46 4.668 -13.705 -5.143 1.00 0.00 C ATOM 659 O HIS A 46 4.286 -14.701 -4.532 1.00 0.00 O ATOM 660 CB HIS A 46 6.657 -15.103 -5.906 1.00 0.00 C ATOM 661 CG HIS A 46 8.062 -15.091 -6.459 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.167 -15.449 -5.706 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.530 -14.762 -7.697 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.246 -15.335 -6.467 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.849 -14.909 -7.700 1.00 0.00 N ATOM 0 H HIS A 46 7.021 -12.636 -4.568 1.00 0.00 H new ATOM 0 HA HIS A 46 5.662 -13.612 -7.024 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.690 -15.427 -4.866 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.069 -15.841 -6.452 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.929 -14.437 -8.533 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.261 -15.543 -6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.464 -14.732 -8.494 1.00 0.00 H new ATOM 673 N CYS A 47 4.041 -12.538 -5.142 1.00 0.00 N ATOM 674 CA CYS A 47 2.812 -12.349 -4.390 1.00 0.00 C ATOM 675 C CYS A 47 1.643 -12.329 -5.376 1.00 0.00 C ATOM 676 O CYS A 47 1.817 -11.984 -6.544 1.00 0.00 O ATOM 677 CB CYS A 47 2.860 -11.080 -3.537 1.00 0.00 C ATOM 678 SG CYS A 47 3.367 -9.653 -4.565 1.00 0.00 S ATOM 0 H CYS A 47 4.361 -11.714 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 47 2.681 -13.174 -3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.881 -10.891 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.561 -11.212 -2.713 1.00 0.00 H new ATOM 0 HG CYS A 47 4.660 -9.656 -4.704 1.00 0.00 H new ATOM 684 N SER A 48 0.477 -12.704 -4.871 1.00 0.00 N ATOM 685 CA SER A 48 -0.721 -12.734 -5.693 1.00 0.00 C ATOM 686 C SER A 48 -0.814 -11.455 -6.527 1.00 0.00 C ATOM 687 O SER A 48 -0.862 -11.513 -7.755 1.00 0.00 O ATOM 688 CB SER A 48 -1.975 -12.899 -4.833 1.00 0.00 C ATOM 689 OG SER A 48 -2.138 -14.240 -4.379 1.00 0.00 O ATOM 0 H SER A 48 0.336 -12.990 -3.902 1.00 0.00 H new ATOM 0 HA SER A 48 -0.656 -13.593 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.916 -12.230 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.851 -12.602 -5.409 1.00 0.00 H new ATOM 0 HG SER A 48 -2.949 -14.304 -3.832 1.00 0.00 H new ATOM 695 N ALA A 49 -0.837 -10.330 -5.828 1.00 0.00 N ATOM 696 CA ALA A 49 -0.924 -9.039 -6.489 1.00 0.00 C ATOM 697 C ALA A 49 0.033 -9.017 -7.683 1.00 0.00 C ATOM 698 O ALA A 49 -0.396 -8.850 -8.823 1.00 0.00 O ATOM 699 CB ALA A 49 -0.624 -7.928 -5.481 1.00 0.00 C ATOM 0 H ALA A 49 -0.797 -10.286 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.931 -8.870 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.689 -6.960 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.349 -7.969 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.380 -8.063 -5.079 1.00 0.00 H new ATOM 705 N SER A 50 1.311 -9.188 -7.379 1.00 0.00 N ATOM 706 CA SER A 50 2.332 -9.189 -8.413 1.00 0.00 C ATOM 707 C SER A 50 1.975 -10.206 -9.499 1.00 0.00 C ATOM 708 O SER A 50 1.993 -9.883 -10.686 1.00 0.00 O ATOM 709 CB SER A 50 3.710 -9.502 -7.825 1.00 0.00 C ATOM 710 OG SER A 50 4.733 -9.469 -8.817 1.00 0.00 O ATOM 0 H SER A 50 1.663 -9.327 -6.432 1.00 0.00 H new ATOM 0 HA SER A 50 2.373 -8.194 -8.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.942 -8.781 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.690 -10.486 -7.357 1.00 0.00 H new ATOM 0 HG SER A 50 5.597 -9.672 -8.402 1.00 0.00 H new ATOM 716 N LEU A 51 1.660 -11.414 -9.054 1.00 0.00 N ATOM 717 CA LEU A 51 1.300 -12.479 -9.974 1.00 0.00 C ATOM 718 C LEU A 51 0.069 -12.058 -10.779 1.00 0.00 C ATOM 719 O LEU A 51 -0.211 -12.625 -11.834 1.00 0.00 O ATOM 720 CB LEU A 51 1.119 -13.799 -9.221 1.00 0.00 C ATOM 721 CG LEU A 51 2.317 -14.267 -8.391 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.864 -15.132 -7.213 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.344 -14.985 -9.268 1.00 0.00 C ATOM 0 H LEU A 51 1.647 -11.678 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 51 2.105 -12.653 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.259 -13.702 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.877 -14.577 -9.945 1.00 0.00 H new ATOM 0 HG LEU A 51 2.808 -13.388 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.735 -15.451 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.199 -14.554 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.335 -16.008 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.185 -15.307 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.880 -15.855 -9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.700 -14.305 -10.042 1.00 0.00 H new ATOM 735 N ALA A 52 -0.633 -11.066 -10.251 1.00 0.00 N ATOM 736 CA ALA A 52 -1.828 -10.562 -10.907 1.00 0.00 C ATOM 737 C ALA A 52 -1.421 -9.679 -12.089 1.00 0.00 C ATOM 738 O ALA A 52 -1.801 -9.947 -13.227 1.00 0.00 O ATOM 739 CB ALA A 52 -2.692 -9.813 -9.890 1.00 0.00 C ATOM 0 H ALA A 52 -0.397 -10.598 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.426 -11.384 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.588 -9.435 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.978 -10.491 -9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.126 -8.978 -9.476 1.00 0.00 H new ATOM 745 N GLY A 53 -0.653 -8.645 -11.777 1.00 0.00 N ATOM 746 CA GLY A 53 -0.191 -7.722 -12.799 1.00 0.00 C ATOM 747 C GLY A 53 -0.072 -6.302 -12.241 1.00 0.00 C ATOM 748 O GLY A 53 -0.586 -5.354 -12.833 1.00 0.00 O ATOM 0 H GLY A 53 -0.339 -8.426 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.777 -8.049 -13.179 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.884 -7.729 -13.641 1.00 0.00 H new ATOM 752 N ALA A 54 0.609 -6.200 -11.109 1.00 0.00 N ATOM 753 CA ALA A 54 0.802 -4.912 -10.465 1.00 0.00 C ATOM 754 C ALA A 54 2.298 -4.600 -10.396 1.00 0.00 C ATOM 755 O ALA A 54 3.125 -5.511 -10.377 1.00 0.00 O ATOM 756 CB ALA A 54 0.145 -4.928 -9.084 1.00 0.00 C ATOM 0 H ALA A 54 1.034 -6.989 -10.621 1.00 0.00 H new ATOM 0 HA ALA A 54 0.327 -4.119 -11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.290 -3.962 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.922 -5.124 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.598 -5.710 -8.475 1.00 0.00 H new ATOM 762 N LYS A 55 2.601 -3.311 -10.359 1.00 0.00 N ATOM 763 CA LYS A 55 3.983 -2.868 -10.292 1.00 0.00 C ATOM 764 C LYS A 55 4.132 -1.844 -9.165 1.00 0.00 C ATOM 765 O LYS A 55 3.262 -0.996 -8.973 1.00 0.00 O ATOM 766 CB LYS A 55 4.448 -2.353 -11.656 1.00 0.00 C ATOM 767 CG LYS A 55 3.573 -1.190 -12.130 1.00 0.00 C ATOM 768 CD LYS A 55 4.413 0.067 -12.363 1.00 0.00 C ATOM 769 CE LYS A 55 3.528 1.315 -12.417 1.00 0.00 C ATOM 770 NZ LYS A 55 3.964 2.303 -11.405 1.00 0.00 N ATOM 0 H LYS A 55 1.912 -2.559 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 55 4.639 -3.704 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.487 -2.029 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.411 -3.162 -12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.062 -1.467 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.802 -0.984 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.147 0.172 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.969 -0.030 -13.296 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.575 1.759 -13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.488 1.039 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.353 3.143 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.896 1.882 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.949 2.579 -11.591 1.00 0.00 H new ATOM 784 N GLU A 56 5.240 -1.958 -8.448 1.00 0.00 N ATOM 785 CA GLU A 56 5.514 -1.053 -7.345 1.00 0.00 C ATOM 786 C GLU A 56 5.132 0.379 -7.725 1.00 0.00 C ATOM 787 O GLU A 56 5.592 0.899 -8.741 1.00 0.00 O ATOM 788 CB GLU A 56 6.982 -1.134 -6.920 1.00 0.00 C ATOM 789 CG GLU A 56 7.232 -0.315 -5.652 1.00 0.00 C ATOM 790 CD GLU A 56 8.730 -0.176 -5.376 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.457 0.155 -6.338 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.116 -0.404 -4.209 1.00 0.00 O ATOM 0 H GLU A 56 5.959 -2.664 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 56 4.906 -1.357 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.257 -2.174 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.618 -0.767 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.785 0.673 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.745 -0.795 -4.803 1.00 0.00 H new ATOM 799 N GLY A 57 4.294 0.976 -6.890 1.00 0.00 N ATOM 800 CA GLY A 57 3.844 2.337 -7.127 1.00 0.00 C ATOM 801 C GLY A 57 2.365 2.366 -7.516 1.00 0.00 C ATOM 802 O GLY A 57 1.911 3.300 -8.176 1.00 0.00 O ATOM 0 H GLY A 57 3.915 0.542 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.999 2.937 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.441 2.788 -7.919 1.00 0.00 H new ATOM 806 N ASP A 58 1.653 1.332 -7.090 1.00 0.00 N ATOM 807 CA ASP A 58 0.235 1.228 -7.386 1.00 0.00 C ATOM 808 C ASP A 58 -0.563 1.958 -6.304 1.00 0.00 C ATOM 809 O ASP A 58 -0.446 1.641 -5.121 1.00 0.00 O ATOM 810 CB ASP A 58 -0.218 -0.234 -7.402 1.00 0.00 C ATOM 811 CG ASP A 58 0.894 -1.253 -7.657 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.940 -1.131 -6.984 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.672 -2.130 -8.519 1.00 0.00 O ATOM 0 H ASP A 58 2.032 0.560 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 58 0.062 1.671 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.688 -0.463 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.983 -0.353 -8.170 1.00 0.00 H new ATOM 818 N TYR A 59 -1.355 2.923 -6.747 1.00 0.00 N ATOM 819 CA TYR A 59 -2.172 3.701 -5.831 1.00 0.00 C ATOM 820 C TYR A 59 -3.618 3.201 -5.825 1.00 0.00 C ATOM 821 O TYR A 59 -4.411 3.576 -6.687 1.00 0.00 O ATOM 822 CB TYR A 59 -2.143 5.137 -6.357 1.00 0.00 C ATOM 823 CG TYR A 59 -0.752 5.773 -6.355 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.239 5.269 -7.173 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.487 6.851 -5.535 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.548 5.867 -7.171 1.00 0.00 C ATOM 827 CE2 TYR A 59 0.823 7.450 -5.533 1.00 0.00 C ATOM 828 CZ TYR A 59 1.776 6.928 -6.352 1.00 0.00 C ATOM 829 OH TYR A 59 3.013 7.494 -6.350 1.00 0.00 O ATOM 0 H TYR A 59 -1.448 3.184 -7.729 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.790 3.621 -4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.535 5.148 -7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.812 5.748 -5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.032 4.425 -7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.262 7.246 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.332 5.481 -7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.044 8.294 -4.896 1.00 0.00 H new ATOM 0 HH TYR A 59 3.030 8.242 -5.717 1.00 0.00 H new ATOM 839 N ILE A 60 -3.916 2.362 -4.844 1.00 0.00 N ATOM 840 CA ILE A 60 -5.253 1.807 -4.715 1.00 0.00 C ATOM 841 C ILE A 60 -6.281 2.935 -4.815 1.00 0.00 C ATOM 842 O ILE A 60 -6.563 3.612 -3.828 1.00 0.00 O ATOM 843 CB ILE A 60 -5.369 0.981 -3.432 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.528 -0.294 -3.523 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.832 0.681 -3.103 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.218 -0.847 -2.131 1.00 0.00 C ATOM 0 H ILE A 60 -3.255 2.053 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.458 1.115 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.969 1.572 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.061 -1.045 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.597 -0.083 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.886 0.093 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.373 1.617 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.281 0.119 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.619 -1.753 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.663 -0.103 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.150 -1.080 -1.616 1.00 0.00 H new ATOM 858 N VAL A 61 -6.813 3.103 -6.017 1.00 0.00 N ATOM 859 CA VAL A 61 -7.804 4.138 -6.259 1.00 0.00 C ATOM 860 C VAL A 61 -9.197 3.587 -5.944 1.00 0.00 C ATOM 861 O VAL A 61 -10.096 4.340 -5.573 1.00 0.00 O ATOM 862 CB VAL A 61 -7.677 4.659 -7.691 1.00 0.00 C ATOM 863 CG1 VAL A 61 -8.361 3.715 -8.682 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.237 6.078 -7.810 1.00 0.00 C ATOM 0 H VAL A 61 -6.576 2.540 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.635 4.991 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.617 4.695 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.255 4.110 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.896 2.730 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.419 3.631 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.134 6.425 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.291 6.078 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.686 6.744 -7.146 1.00 0.00 H new ATOM 874 N SER A 62 -9.332 2.279 -6.105 1.00 0.00 N ATOM 875 CA SER A 62 -10.600 1.620 -5.844 1.00 0.00 C ATOM 876 C SER A 62 -10.408 0.102 -5.836 1.00 0.00 C ATOM 877 O SER A 62 -9.476 -0.413 -6.451 1.00 0.00 O ATOM 878 CB SER A 62 -11.652 2.017 -6.881 1.00 0.00 C ATOM 879 OG SER A 62 -12.106 3.355 -6.696 1.00 0.00 O ATOM 0 H SER A 62 -8.584 1.658 -6.413 1.00 0.00 H new ATOM 0 HA SER A 62 -10.957 1.940 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.233 1.912 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.500 1.335 -6.817 1.00 0.00 H new ATOM 0 HG SER A 62 -11.607 3.771 -5.963 1.00 0.00 H new ATOM 885 N ILE A 63 -11.306 -0.572 -5.133 1.00 0.00 N ATOM 886 CA ILE A 63 -11.248 -2.021 -5.037 1.00 0.00 C ATOM 887 C ILE A 63 -12.638 -2.602 -5.303 1.00 0.00 C ATOM 888 O ILE A 63 -13.583 -2.323 -4.566 1.00 0.00 O ATOM 889 CB ILE A 63 -10.651 -2.445 -3.693 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.274 -1.813 -3.481 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.606 -3.970 -3.570 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.862 -1.877 -2.009 1.00 0.00 C ATOM 0 H ILE A 63 -12.078 -0.142 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.582 -2.427 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.301 -2.076 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.534 -2.330 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.291 -0.775 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.178 -4.245 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.617 -4.371 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.992 -4.382 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.880 -1.421 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.591 -1.338 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.822 -2.918 -1.687 1.00 0.00 H new ATOM 904 N GLN A 64 -12.720 -3.399 -6.358 1.00 0.00 N ATOM 905 CA GLN A 64 -13.978 -4.021 -6.730 1.00 0.00 C ATOM 906 C GLN A 64 -14.919 -2.987 -7.352 1.00 0.00 C ATOM 907 O GLN A 64 -15.368 -3.153 -8.485 1.00 0.00 O ATOM 908 CB GLN A 64 -14.631 -4.701 -5.525 1.00 0.00 C ATOM 909 CG GLN A 64 -14.706 -6.217 -5.724 1.00 0.00 C ATOM 910 CD GLN A 64 -15.719 -6.577 -6.813 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.922 -6.465 -6.639 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.168 -7.015 -7.941 1.00 0.00 N ATOM 0 H GLN A 64 -11.935 -3.628 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.773 -4.791 -7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.061 -4.477 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.634 -4.300 -5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.723 -6.601 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.988 -6.697 -4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.153 -7.084 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.760 -7.282 -8.728 1.00 0.00 H new ATOM 921 N GLY A 65 -15.188 -1.942 -6.583 1.00 0.00 N ATOM 922 CA GLY A 65 -16.067 -0.881 -7.045 1.00 0.00 C ATOM 923 C GLY A 65 -16.310 0.150 -5.940 1.00 0.00 C ATOM 924 O GLY A 65 -17.416 0.669 -5.803 1.00 0.00 O ATOM 0 H GLY A 65 -14.813 -1.807 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.627 -0.391 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.018 -1.306 -7.367 1.00 0.00 H new ATOM 928 N VAL A 66 -15.257 0.414 -5.180 1.00 0.00 N ATOM 929 CA VAL A 66 -15.342 1.373 -4.092 1.00 0.00 C ATOM 930 C VAL A 66 -14.264 2.444 -4.276 1.00 0.00 C ATOM 931 O VAL A 66 -13.177 2.156 -4.774 1.00 0.00 O ATOM 932 CB VAL A 66 -15.241 0.649 -2.748 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.113 1.647 -1.595 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.436 -0.282 -2.536 1.00 0.00 C ATOM 0 H VAL A 66 -14.341 -0.019 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.308 1.878 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.338 0.038 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.043 1.106 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.216 2.251 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.988 2.296 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.340 -0.784 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.358 0.300 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.463 -1.026 -3.332 1.00 0.00 H new ATOM 944 N ASP A 67 -14.604 3.656 -3.865 1.00 0.00 N ATOM 945 CA ASP A 67 -13.679 4.772 -3.978 1.00 0.00 C ATOM 946 C ASP A 67 -12.656 4.697 -2.843 1.00 0.00 C ATOM 947 O ASP A 67 -13.013 4.816 -1.672 1.00 0.00 O ATOM 948 CB ASP A 67 -14.413 6.109 -3.866 1.00 0.00 C ATOM 949 CG ASP A 67 -14.084 7.121 -4.965 1.00 0.00 C ATOM 950 OD1 ASP A 67 -12.984 7.709 -4.885 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.940 7.285 -5.861 1.00 0.00 O ATOM 0 H ASP A 67 -15.507 3.891 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.191 4.709 -4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.486 5.919 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.178 6.555 -2.900 1.00 0.00 H new ATOM 956 N CYS A 68 -11.404 4.502 -3.230 1.00 0.00 N ATOM 957 CA CYS A 68 -10.327 4.411 -2.259 1.00 0.00 C ATOM 958 C CYS A 68 -9.294 5.491 -2.585 1.00 0.00 C ATOM 959 O CYS A 68 -8.093 5.225 -2.593 1.00 0.00 O ATOM 960 CB CYS A 68 -9.703 3.014 -2.236 1.00 0.00 C ATOM 961 SG CYS A 68 -10.837 1.836 -1.412 1.00 0.00 S ATOM 0 H CYS A 68 -11.111 4.405 -4.202 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.722 4.578 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.497 2.682 -3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.749 3.041 -1.710 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.168 0.792 -1.020 1.00 0.00 H new ATOM 967 N LYS A 69 -9.799 6.688 -2.846 1.00 0.00 N ATOM 968 CA LYS A 69 -8.935 7.810 -3.172 1.00 0.00 C ATOM 969 C LYS A 69 -8.791 8.711 -1.944 1.00 0.00 C ATOM 970 O LYS A 69 -7.907 9.564 -1.895 1.00 0.00 O ATOM 971 CB LYS A 69 -9.450 8.541 -4.413 1.00 0.00 C ATOM 972 CG LYS A 69 -8.314 8.810 -5.402 1.00 0.00 C ATOM 973 CD LYS A 69 -8.490 10.170 -6.082 1.00 0.00 C ATOM 974 CE LYS A 69 -9.542 10.097 -7.190 1.00 0.00 C ATOM 975 NZ LYS A 69 -8.980 10.580 -8.471 1.00 0.00 N ATOM 0 H LYS A 69 -10.796 6.905 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.936 7.458 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.224 7.944 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.912 9.484 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.358 8.782 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.289 8.023 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.786 10.914 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.538 10.497 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.889 9.070 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.409 10.698 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.707 10.524 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.670 11.567 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.167 9.989 -8.738 1.00 0.00 H new ATOM 989 N TRP A 70 -9.674 8.490 -0.981 1.00 0.00 N ATOM 990 CA TRP A 70 -9.656 9.271 0.244 1.00 0.00 C ATOM 991 C TRP A 70 -9.299 8.332 1.398 1.00 0.00 C ATOM 992 O TRP A 70 -8.491 8.680 2.259 1.00 0.00 O ATOM 993 CB TRP A 70 -10.989 9.994 0.453 1.00 0.00 C ATOM 994 CG TRP A 70 -11.524 10.686 -0.802 1.00 0.00 C ATOM 995 CD1 TRP A 70 -12.268 10.157 -1.783 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.325 12.067 -1.174 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.561 11.091 -2.756 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.970 12.289 -2.373 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.623 13.093 -0.518 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.977 13.531 -3.021 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.640 14.328 -1.178 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -11.284 14.568 -2.386 1.00 0.00 C ATOM 0 H TRP A 70 -10.406 7.781 -1.024 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.903 10.057 0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.730 9.275 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.868 10.737 1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.597 9.129 -1.809 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.110 10.931 -3.601 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.111 12.941 0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.489 13.680 -3.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.116 15.152 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.250 15.551 -2.833 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.918 7.161 1.380 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.675 6.170 2.414 1.00 0.00 C ATOM 1015 C LEU A 71 -8.183 6.149 2.754 1.00 0.00 C ATOM 1016 O LEU A 71 -7.345 6.456 1.908 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.228 4.808 1.992 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.751 4.709 1.877 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.199 3.250 1.771 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.437 5.437 3.034 1.00 0.00 C ATOM 0 H LEU A 71 -10.588 6.876 0.665 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.207 6.435 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.793 4.544 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.888 4.062 2.710 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.057 5.207 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.285 3.208 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.752 2.795 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.880 2.706 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.518 5.351 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.128 4.990 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.154 6.489 3.021 1.00 0.00 H new ATOM 1032 N THR A 72 -7.897 5.784 3.995 1.00 0.00 N ATOM 1033 CA THR A 72 -6.521 5.719 4.458 1.00 0.00 C ATOM 1034 C THR A 72 -5.977 4.296 4.316 1.00 0.00 C ATOM 1035 O THR A 72 -6.500 3.503 3.535 1.00 0.00 O ATOM 1036 CB THR A 72 -6.479 6.245 5.894 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.110 5.221 6.658 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.377 7.467 6.096 1.00 0.00 C ATOM 0 H THR A 72 -8.595 5.530 4.694 1.00 0.00 H new ATOM 0 HA THR A 72 -5.869 6.345 3.849 1.00 0.00 H new ATOM 0 HB THR A 72 -5.453 6.501 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.027 5.491 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.310 7.800 7.132 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.052 8.270 5.435 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.409 7.202 5.866 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.935 4.015 5.085 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.315 2.701 5.056 1.00 0.00 C ATOM 1048 C VAL A 73 -5.224 1.697 5.768 1.00 0.00 C ATOM 1049 O VAL A 73 -5.470 0.606 5.256 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.912 2.771 5.660 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.381 1.372 5.979 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.953 3.524 4.735 1.00 0.00 C ATOM 0 H VAL A 73 -4.504 4.675 5.732 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.195 2.358 4.028 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.978 3.325 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.382 1.451 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.045 0.885 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.338 0.782 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.962 3.559 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.895 3.010 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.318 4.540 4.581 1.00 0.00 H new ATOM 1062 N SER A 74 -5.697 2.102 6.937 1.00 0.00 N ATOM 1063 CA SER A 74 -6.573 1.251 7.725 1.00 0.00 C ATOM 1064 C SER A 74 -7.821 0.893 6.916 1.00 0.00 C ATOM 1065 O SER A 74 -8.069 -0.279 6.638 1.00 0.00 O ATOM 1066 CB SER A 74 -6.968 1.932 9.037 1.00 0.00 C ATOM 1067 OG SER A 74 -7.805 1.102 9.838 1.00 0.00 O ATOM 0 H SER A 74 -5.491 3.008 7.358 1.00 0.00 H new ATOM 0 HA SER A 74 -6.032 0.337 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.069 2.189 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.485 2.866 8.819 1.00 0.00 H new ATOM 0 HG SER A 74 -8.034 1.571 10.667 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.573 1.924 6.560 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.789 1.733 5.789 1.00 0.00 C ATOM 1075 C GLU A 75 -9.570 0.673 4.707 1.00 0.00 C ATOM 1076 O GLU A 75 -10.116 -0.426 4.790 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.263 3.052 5.176 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.187 3.803 6.136 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.778 5.272 6.255 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -9.576 5.509 6.500 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -11.678 6.126 6.097 1.00 0.00 O ATOM 0 H GLU A 75 -8.363 2.895 6.792 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.571 1.382 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.402 3.674 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.787 2.855 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.216 3.736 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.156 3.333 7.119 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.770 1.041 3.717 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.472 0.135 2.620 1.00 0.00 C ATOM 1090 C VAL A 76 -8.174 -1.257 3.180 1.00 0.00 C ATOM 1091 O VAL A 76 -8.840 -2.228 2.826 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.328 0.697 1.774 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.892 -0.307 0.705 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.718 2.035 1.143 1.00 0.00 C ATOM 0 H VAL A 76 -8.319 1.954 3.651 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.333 0.041 1.958 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.479 0.873 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.078 0.117 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.553 -1.225 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.734 -0.530 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.887 2.412 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.589 1.895 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.956 2.752 1.929 1.00 0.00 H new ATOM 1104 N MET A 77 -7.172 -1.309 4.046 1.00 0.00 N ATOM 1105 CA MET A 77 -6.778 -2.567 4.658 1.00 0.00 C ATOM 1106 C MET A 77 -8.001 -3.425 4.985 1.00 0.00 C ATOM 1107 O MET A 77 -7.998 -4.632 4.750 1.00 0.00 O ATOM 1108 CB MET A 77 -5.993 -2.285 5.942 1.00 0.00 C ATOM 1109 CG MET A 77 -4.502 -2.565 5.745 1.00 0.00 C ATOM 1110 SD MET A 77 -4.228 -4.319 5.566 1.00 0.00 S ATOM 1111 CE MET A 77 -3.066 -4.315 4.210 1.00 0.00 C ATOM 0 H MET A 77 -6.622 -0.501 4.338 1.00 0.00 H new ATOM 0 HA MET A 77 -6.153 -3.114 3.952 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.136 -1.246 6.239 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.379 -2.904 6.752 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.139 -2.040 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.937 -2.185 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.561 -5.280 4.161 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.598 -4.135 3.276 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.329 -3.527 4.365 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.019 -2.768 5.523 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.247 -3.455 5.884 1.00 0.00 C ATOM 1123 C LYS A 78 -11.026 -3.801 4.614 1.00 0.00 C ATOM 1124 O LYS A 78 -11.534 -4.912 4.476 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.048 -2.628 6.891 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.627 -2.953 8.326 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.540 -1.682 9.174 1.00 0.00 C ATOM 1128 CE LYS A 78 -11.073 -1.928 10.586 1.00 0.00 C ATOM 1129 NZ LYS A 78 -10.642 -0.845 11.498 1.00 0.00 N ATOM 0 H LYS A 78 -9.018 -1.767 5.717 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.023 -4.396 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.898 -1.566 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.112 -2.828 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.344 -3.643 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.661 -3.457 8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.505 -1.345 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.111 -0.884 8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.161 -1.983 10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.712 -2.888 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.012 -1.027 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.603 -0.811 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.007 0.065 11.153 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.096 -2.827 3.718 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.805 -3.014 2.464 1.00 0.00 C ATOM 1145 C LEU A 79 -11.221 -4.222 1.728 1.00 0.00 C ATOM 1146 O LEU A 79 -11.908 -4.858 0.929 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.786 -1.724 1.640 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.153 -1.164 1.241 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.300 0.292 1.688 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.396 -1.330 -0.261 1.00 0.00 C ATOM 0 H LEU A 79 -10.673 -1.906 3.836 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.857 -3.231 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.254 -0.961 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.210 -1.904 0.732 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.922 -1.739 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.280 0.666 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.201 0.352 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.524 0.897 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.374 -0.924 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.624 -0.796 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.363 -2.388 -0.520 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.961 -4.502 2.024 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.277 -5.622 1.400 1.00 0.00 C ATOM 1164 C LEU A 80 -9.554 -6.894 2.204 1.00 0.00 C ATOM 1165 O LEU A 80 -9.881 -7.934 1.633 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.788 -5.314 1.231 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.349 -4.873 -0.167 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.867 -4.493 -0.182 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.677 -5.944 -1.208 1.00 0.00 C ATOM 0 H LEU A 80 -9.395 -3.973 2.688 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.660 -5.790 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.516 -4.531 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.220 -6.203 1.505 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.913 -3.980 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.581 -4.183 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.695 -3.671 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.268 -5.353 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.355 -5.605 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.158 -6.869 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.752 -6.123 -1.220 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.414 -6.770 3.515 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.645 -7.897 4.403 1.00 0.00 C ATOM 1183 C LYS A 81 -11.033 -8.479 4.130 1.00 0.00 C ATOM 1184 O LYS A 81 -11.179 -9.687 3.946 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.427 -7.485 5.860 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.941 -7.261 6.150 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.747 -6.523 7.476 1.00 0.00 C ATOM 1188 CE LYS A 81 -6.589 -5.528 7.385 1.00 0.00 C ATOM 1189 NZ LYS A 81 -6.679 -4.527 8.472 1.00 0.00 N ATOM 0 H LYS A 81 -9.143 -5.906 3.984 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.922 -8.689 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.984 -6.572 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.818 -8.257 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.425 -8.220 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.491 -6.686 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.664 -5.996 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.552 -7.242 8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.639 -6.059 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.608 -5.026 6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.773 -4.024 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.435 -3.846 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.893 -5.007 9.369 1.00 0.00 H new ATOM 1203 N SER A 82 -12.018 -7.593 4.111 1.00 0.00 N ATOM 1204 CA SER A 82 -13.390 -8.004 3.864 1.00 0.00 C ATOM 1205 C SER A 82 -13.439 -8.984 2.690 1.00 0.00 C ATOM 1206 O SER A 82 -14.079 -10.031 2.777 1.00 0.00 O ATOM 1207 CB SER A 82 -14.285 -6.795 3.584 1.00 0.00 C ATOM 1208 OG SER A 82 -15.656 -7.072 3.854 1.00 0.00 O ATOM 0 H SER A 82 -11.893 -6.592 4.263 1.00 0.00 H new ATOM 0 HA SER A 82 -13.765 -8.500 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.958 -5.953 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.174 -6.495 2.542 1.00 0.00 H new ATOM 0 HG SER A 82 -16.194 -6.275 3.665 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.754 -8.609 1.619 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.712 -9.442 0.429 1.00 0.00 C ATOM 1216 C PHE A 83 -11.558 -10.444 0.502 1.00 0.00 C ATOM 1217 O PHE A 83 -10.886 -10.696 -0.496 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.486 -8.509 -0.762 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.560 -7.430 -0.920 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.875 -7.777 -0.939 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.199 -6.124 -1.040 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.871 -6.776 -1.085 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.195 -5.123 -1.186 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.510 -5.470 -1.205 1.00 0.00 C ATOM 0 H PHE A 83 -12.224 -7.740 1.551 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.641 -10.004 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.514 -8.027 -0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.446 -9.104 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.161 -8.814 -0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.155 -5.849 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.915 -7.051 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.909 -4.086 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.268 -4.708 -1.315 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.364 -10.989 1.695 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.303 -11.958 1.911 1.00 0.00 C ATOM 1236 C GLY A 84 -10.644 -13.299 1.257 1.00 0.00 C ATOM 1237 O GLY A 84 -11.688 -13.885 1.541 1.00 0.00 O ATOM 0 H GLY A 84 -11.924 -10.778 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.368 -11.576 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.147 -12.100 2.980 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.743 -13.746 0.395 1.00 0.00 N ATOM 1242 CA GLY A 85 -9.934 -15.006 -0.302 1.00 0.00 C ATOM 1243 C GLY A 85 -11.093 -14.913 -1.297 1.00 0.00 C ATOM 1244 O GLY A 85 -11.832 -15.877 -1.487 1.00 0.00 O ATOM 0 H GLY A 85 -8.878 -13.258 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.019 -15.277 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.132 -15.798 0.420 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.215 -13.742 -1.905 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.271 -13.510 -2.876 1.00 0.00 C ATOM 1250 C GLU A 86 -11.745 -12.669 -4.041 1.00 0.00 C ATOM 1251 O GLU A 86 -11.257 -11.558 -3.840 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.481 -12.841 -2.220 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.034 -13.702 -1.082 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.563 -13.653 -1.050 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.091 -12.528 -0.913 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.168 -14.740 -1.164 1.00 0.00 O ATOM 0 H GLU A 86 -10.600 -12.944 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.597 -14.474 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.195 -11.862 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.258 -12.675 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.702 -14.733 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.635 -13.352 -0.130 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.862 -13.233 -5.235 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.404 -12.549 -6.433 1.00 0.00 C ATOM 1265 C GLU A 87 -12.019 -11.151 -6.514 1.00 0.00 C ATOM 1266 O GLU A 87 -13.234 -11.010 -6.645 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.728 -13.364 -7.686 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.487 -13.536 -8.565 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.582 -14.811 -9.406 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.122 -14.710 -10.529 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.114 -15.856 -8.906 1.00 0.00 O ATOM 0 H GLU A 87 -12.267 -14.155 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.320 -12.445 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.113 -14.342 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.514 -12.867 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.378 -12.672 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.596 -13.575 -7.938 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.152 -10.152 -6.432 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.595 -8.770 -6.495 1.00 0.00 C ATOM 1280 C VAL A 88 -10.844 -8.048 -7.615 1.00 0.00 C ATOM 1281 O VAL A 88 -9.832 -8.544 -8.109 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.418 -8.101 -5.130 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.079 -8.928 -4.025 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -9.938 -7.861 -4.824 1.00 0.00 C ATOM 0 H VAL A 88 -10.145 -10.273 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.658 -8.721 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.914 -7.131 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.939 -8.431 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.145 -9.025 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.625 -9.918 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.841 -7.385 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.409 -8.814 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.509 -7.213 -5.588 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.367 -6.888 -7.984 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.759 -6.094 -9.037 1.00 0.00 C ATOM 1296 C GLU A 89 -10.151 -4.816 -8.454 1.00 0.00 C ATOM 1297 O GLU A 89 -10.872 -3.875 -8.127 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.774 -5.767 -10.134 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.311 -6.306 -11.489 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.491 -6.461 -12.450 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.139 -7.527 -12.386 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.718 -5.508 -13.228 1.00 0.00 O ATOM 0 H GLU A 89 -12.206 -6.479 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.960 -6.680 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.742 -6.198 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.912 -4.688 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.573 -5.630 -11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.820 -7.269 -11.352 1.00 0.00 H new ATOM 1309 N MET A 90 -8.831 -4.824 -8.343 1.00 0.00 N ATOM 1310 CA MET A 90 -8.118 -3.678 -7.805 1.00 0.00 C ATOM 1311 C MET A 90 -7.702 -2.718 -8.922 1.00 0.00 C ATOM 1312 O MET A 90 -7.236 -3.150 -9.975 1.00 0.00 O ATOM 1313 CB MET A 90 -6.875 -4.156 -7.053 1.00 0.00 C ATOM 1314 CG MET A 90 -6.163 -2.987 -6.371 1.00 0.00 C ATOM 1315 SD MET A 90 -5.103 -3.593 -5.068 1.00 0.00 S ATOM 1316 CE MET A 90 -4.101 -4.744 -5.994 1.00 0.00 C ATOM 0 H MET A 90 -8.236 -5.606 -8.617 1.00 0.00 H new ATOM 0 HA MET A 90 -8.783 -3.147 -7.124 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.160 -4.898 -6.307 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.193 -4.647 -7.747 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.574 -2.433 -7.102 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.897 -2.293 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 90 -3.860 -5.602 -5.367 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.651 -5.080 -6.873 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.180 -4.254 -6.308 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.885 -1.434 -8.653 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.534 -0.409 -9.622 1.00 0.00 C ATOM 1328 C LYS A 91 -6.542 0.568 -8.988 1.00 0.00 C ATOM 1329 O LYS A 91 -6.745 1.020 -7.862 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.794 0.263 -10.171 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.560 -0.683 -11.098 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.920 -1.052 -10.502 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.931 -1.379 -11.603 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.181 -1.913 -11.018 1.00 0.00 N ATOM 0 H LYS A 91 -8.272 -1.080 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.037 -0.854 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.437 0.568 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.521 1.168 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.701 -0.210 -12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.975 -1.587 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.810 -1.910 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.292 -0.226 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.148 -0.482 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.504 -2.108 -12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.856 -2.129 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.971 -2.780 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.596 -1.205 -10.379 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.491 0.865 -9.738 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.468 1.781 -9.263 1.00 0.00 C ATOM 1350 C VAL A 92 -4.089 2.744 -10.390 1.00 0.00 C ATOM 1351 O VAL A 92 -4.094 2.367 -11.561 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.272 0.994 -8.722 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.664 0.184 -7.485 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.676 0.090 -9.803 1.00 0.00 C ATOM 0 H VAL A 92 -5.326 0.488 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.847 2.381 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.506 1.710 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.796 -0.366 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.020 0.858 -6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.456 -0.519 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.828 -0.458 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.433 -0.616 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.342 0.699 -10.643 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.769 3.968 -9.997 1.00 0.00 N ATOM 1365 CA VAL A 93 -3.389 4.988 -10.959 1.00 0.00 C ATOM 1366 C VAL A 93 -1.952 5.435 -10.680 1.00 0.00 C ATOM 1367 O VAL A 93 -1.538 5.520 -9.525 1.00 0.00 O ATOM 1368 CB VAL A 93 -4.392 6.143 -10.923 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.651 5.800 -11.722 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.742 6.519 -9.482 1.00 0.00 C ATOM 0 H VAL A 93 -3.765 4.276 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.414 4.586 -11.972 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.924 7.009 -11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.348 6.637 -11.680 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.381 5.604 -12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.122 4.914 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.456 7.342 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.182 5.658 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.838 6.825 -8.956 1.00 0.00 H new ATOM 1380 N SER A 94 -1.232 5.709 -11.758 1.00 0.00 N ATOM 1381 CA SER A 94 0.149 6.145 -11.644 1.00 0.00 C ATOM 1382 C SER A 94 0.205 7.662 -11.454 1.00 0.00 C ATOM 1383 O SER A 94 -0.535 8.400 -12.102 1.00 0.00 O ATOM 1384 CB SER A 94 0.960 5.734 -12.875 1.00 0.00 C ATOM 1385 OG SER A 94 0.377 4.624 -13.552 1.00 0.00 O ATOM 0 H SER A 94 -1.579 5.637 -12.714 1.00 0.00 H new ATOM 0 HA SER A 94 0.590 5.660 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.033 6.579 -13.560 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.976 5.481 -12.572 1.00 0.00 H new ATOM 0 HG SER A 94 0.923 4.393 -14.333 1.00 0.00 H new ATOM 1391 N LEU A 95 1.090 8.083 -10.562 1.00 0.00 N ATOM 1392 CA LEU A 95 1.252 9.498 -10.278 1.00 0.00 C ATOM 1393 C LEU A 95 2.318 10.082 -11.208 1.00 0.00 C ATOM 1394 O LEU A 95 3.404 9.520 -11.343 1.00 0.00 O ATOM 1395 CB LEU A 95 1.546 9.717 -8.793 1.00 0.00 C ATOM 1396 CG LEU A 95 2.036 11.113 -8.405 1.00 0.00 C ATOM 1397 CD1 LEU A 95 0.960 12.167 -8.673 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.517 11.142 -6.952 1.00 0.00 C ATOM 0 H LEU A 95 1.703 7.468 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 95 0.325 10.035 -10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.639 9.502 -8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.296 8.990 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 95 2.892 11.360 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.335 13.150 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.708 12.168 -9.733 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.070 11.935 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.860 12.146 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.696 10.864 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.338 10.436 -6.826 1.00 0.00 H new ATOM 1410 N LEU A 96 1.970 11.201 -11.825 1.00 0.00 N ATOM 1411 CA LEU A 96 2.883 11.867 -12.739 1.00 0.00 C ATOM 1412 C LEU A 96 3.133 13.296 -12.253 1.00 0.00 C ATOM 1413 O LEU A 96 2.191 14.065 -12.065 1.00 0.00 O ATOM 1414 CB LEU A 96 2.358 11.789 -14.174 1.00 0.00 C ATOM 1415 CG LEU A 96 1.668 10.480 -14.565 1.00 0.00 C ATOM 1416 CD1 LEU A 96 2.407 9.275 -13.980 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.192 10.497 -14.164 1.00 0.00 C ATOM 0 H LEU A 96 1.068 11.664 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 96 3.848 11.360 -12.749 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.655 12.607 -14.328 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.193 11.954 -14.855 1.00 0.00 H new ATOM 0 HG LEU A 96 1.705 10.385 -15.650 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.896 8.358 -14.273 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.430 9.257 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.423 9.350 -12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.274 9.555 -14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.110 10.626 -13.085 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.312 11.322 -14.668 1.00 0.00 H new