USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 50 THR OG1 : rot 170:sc= -0.304 USER MOD Set 1.2: A 69 THR OG1 : rot 120:sc= 0.078 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -163:sc= 1.15 USER MOD Single : A 31 SER OG : rot 180:sc= -0.869 USER MOD Single : A 37 SER OG : rot 180:sc= -0.253 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.15) USER MOD Single : A 52 THR OG1 : rot 131:sc= 1.31 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.334 K(o=0.33,f=-8.3!) USER MOD Single : A 67 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.38) USER MOD Single : A 68 THR OG1 : rot -16:sc= 0.887 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -112:sc= -0.423 (180deg=-1.81!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.23 K(o=-1.2,f=-10!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -170:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.1) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -160:sc= 0.84 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.789 F(o=-1.6!,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.308 22.129 3.789 1.00 0.00 N ATOM 179 CA VAL A 16 -4.080 22.082 2.553 1.00 0.00 C ATOM 180 C VAL A 16 -3.964 20.717 1.884 1.00 0.00 C ATOM 181 O VAL A 16 -4.230 20.573 0.690 1.00 0.00 O ATOM 182 CB VAL A 16 -3.620 23.167 1.562 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.918 24.554 2.112 1.00 0.00 C ATOM 184 CG2 VAL A 16 -2.138 23.014 1.254 1.00 0.00 C ATOM 0 HA VAL A 16 -5.120 22.264 2.823 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.175 23.044 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.586 25.308 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.991 24.658 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.391 24.692 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.830 23.789 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.563 23.110 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.957 22.033 0.814 1.00 0.00 H new ATOM 194 N LEU A 17 -3.565 19.716 2.661 1.00 0.00 N ATOM 195 CA LEU A 17 -3.413 18.360 2.145 1.00 0.00 C ATOM 196 C LEU A 17 -4.622 17.502 2.505 1.00 0.00 C ATOM 197 O LEU A 17 -5.299 17.730 3.507 1.00 0.00 O ATOM 198 CB LEU A 17 -2.138 17.722 2.698 1.00 0.00 C ATOM 199 CG LEU A 17 -0.833 18.461 2.399 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.812 18.944 0.957 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.651 19.629 3.357 1.00 0.00 C ATOM 0 H LEU A 17 -3.341 19.818 3.651 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.341 18.417 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.241 17.631 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.059 16.711 2.299 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.004 17.768 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.124 19.468 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.896 18.089 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.649 19.622 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.283 20.144 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.484 20.323 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.621 19.258 4.381 1.00 0.00 H new ATOM 213 N PRO A 18 -4.899 16.489 1.670 1.00 0.00 N ATOM 214 CA PRO A 18 -6.025 15.575 1.881 1.00 0.00 C ATOM 215 C PRO A 18 -5.809 14.657 3.080 1.00 0.00 C ATOM 216 O PRO A 18 -4.788 13.977 3.177 1.00 0.00 O ATOM 217 CB PRO A 18 -6.069 14.761 0.586 1.00 0.00 C ATOM 218 CG PRO A 18 -4.677 14.814 0.058 1.00 0.00 C ATOM 219 CD PRO A 18 -4.134 16.158 0.456 1.00 0.00 C ATOM 0 HA PRO A 18 -6.950 16.110 2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.382 13.734 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.778 15.185 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.071 14.009 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.666 14.694 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.063 16.116 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.284 16.900 -0.328 1.00 0.00 H new ATOM 227 N SER A 19 -6.778 14.642 3.990 1.00 0.00 N ATOM 228 CA SER A 19 -6.692 13.810 5.184 1.00 0.00 C ATOM 229 C SER A 19 -6.483 12.346 4.812 1.00 0.00 C ATOM 230 O SER A 19 -6.800 11.925 3.700 1.00 0.00 O ATOM 231 CB SER A 19 -7.961 13.958 6.026 1.00 0.00 C ATOM 232 OG SER A 19 -7.769 13.443 7.333 1.00 0.00 O ATOM 0 H SER A 19 -7.631 15.197 3.923 1.00 0.00 H new ATOM 0 HA SER A 19 -5.835 14.144 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.242 15.009 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.785 13.434 5.543 1.00 0.00 H new ATOM 0 HG SER A 19 -8.594 13.551 7.852 1.00 0.00 H new ATOM 238 N ALA A 20 -5.946 11.574 5.752 1.00 0.00 N ATOM 239 CA ALA A 20 -5.695 10.156 5.524 1.00 0.00 C ATOM 240 C ALA A 20 -7.002 9.381 5.395 1.00 0.00 C ATOM 241 O ALA A 20 -7.993 9.673 6.065 1.00 0.00 O ATOM 242 CB ALA A 20 -4.848 9.583 6.651 1.00 0.00 C ATOM 0 H ALA A 20 -5.677 11.907 6.678 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.149 10.055 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.668 8.524 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.895 10.111 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.373 9.704 7.598 1.00 0.00 H new ATOM 248 N PRO A 21 -7.007 8.370 4.514 1.00 0.00 N ATOM 249 CA PRO A 21 -8.186 7.533 4.276 1.00 0.00 C ATOM 250 C PRO A 21 -8.504 6.629 5.463 1.00 0.00 C ATOM 251 O PRO A 21 -7.990 6.830 6.563 1.00 0.00 O ATOM 252 CB PRO A 21 -7.788 6.696 3.058 1.00 0.00 C ATOM 253 CG PRO A 21 -6.299 6.651 3.101 1.00 0.00 C ATOM 254 CD PRO A 21 -5.861 7.967 3.681 1.00 0.00 C ATOM 0 HA PRO A 21 -9.085 8.130 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.216 5.695 3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.144 7.149 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.951 5.819 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.884 6.507 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.951 7.863 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.653 8.700 2.902 1.00 0.00 H new ATOM 262 N ARG A 22 -9.353 5.633 5.231 1.00 0.00 N ATOM 263 CA ARG A 22 -9.739 4.699 6.282 1.00 0.00 C ATOM 264 C ARG A 22 -8.775 3.518 6.341 1.00 0.00 C ATOM 265 O ARG A 22 -8.257 3.075 5.316 1.00 0.00 O ATOM 266 CB ARG A 22 -11.165 4.196 6.048 1.00 0.00 C ATOM 267 CG ARG A 22 -11.548 3.019 6.930 1.00 0.00 C ATOM 268 CD ARG A 22 -11.940 3.474 8.327 1.00 0.00 C ATOM 269 NE ARG A 22 -12.252 2.347 9.202 1.00 0.00 N ATOM 270 CZ ARG A 22 -13.357 1.617 9.095 1.00 0.00 C ATOM 271 NH1 ARG A 22 -14.250 1.894 8.155 1.00 0.00 N ATOM 272 NH2 ARG A 22 -13.569 0.608 9.929 1.00 0.00 N ATOM 0 H ARG A 22 -9.786 5.452 4.325 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.699 5.227 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.863 5.014 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.272 3.906 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.378 2.478 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.711 2.324 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.126 4.055 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.805 4.134 8.264 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.585 2.107 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.090 2.669 7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.097 1.332 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.884 0.392 10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.417 0.048 9.847 1.00 0.00 H new ATOM 286 N ASP A 23 -8.539 3.013 7.547 1.00 0.00 N ATOM 287 CA ASP A 23 -7.638 1.883 7.740 1.00 0.00 C ATOM 288 C ASP A 23 -7.792 0.866 6.614 1.00 0.00 C ATOM 289 O ASP A 23 -8.642 -0.023 6.678 1.00 0.00 O ATOM 290 CB ASP A 23 -7.906 1.214 9.089 1.00 0.00 C ATOM 291 CG ASP A 23 -6.761 0.325 9.532 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.213 -0.405 8.681 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.413 0.360 10.731 1.00 0.00 O ATOM 0 H ASP A 23 -8.959 3.369 8.406 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.615 2.260 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.079 1.981 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.818 0.621 9.022 1.00 0.00 H new ATOM 298 N VAL A 24 -6.966 1.004 5.581 1.00 0.00 N ATOM 299 CA VAL A 24 -7.011 0.097 4.440 1.00 0.00 C ATOM 300 C VAL A 24 -7.123 -1.353 4.895 1.00 0.00 C ATOM 301 O VAL A 24 -6.240 -1.870 5.580 1.00 0.00 O ATOM 302 CB VAL A 24 -5.762 0.251 3.552 1.00 0.00 C ATOM 303 CG1 VAL A 24 -5.956 -0.473 2.228 1.00 0.00 C ATOM 304 CG2 VAL A 24 -5.449 1.722 3.324 1.00 0.00 C ATOM 0 H VAL A 24 -6.258 1.735 5.511 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.895 0.361 3.860 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.914 -0.202 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.064 -0.353 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.128 -1.533 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.815 -0.052 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.564 1.812 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.295 2.202 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.264 2.207 4.282 1.00 0.00 H new ATOM 314 N VAL A 25 -8.214 -2.007 4.509 1.00 0.00 N ATOM 315 CA VAL A 25 -8.441 -3.400 4.875 1.00 0.00 C ATOM 316 C VAL A 25 -8.384 -4.306 3.651 1.00 0.00 C ATOM 317 O VAL A 25 -8.830 -3.947 2.560 1.00 0.00 O ATOM 318 CB VAL A 25 -9.802 -3.582 5.573 1.00 0.00 C ATOM 319 CG1 VAL A 25 -9.850 -2.784 6.867 1.00 0.00 C ATOM 320 CG2 VAL A 25 -10.935 -3.174 4.643 1.00 0.00 C ATOM 0 H VAL A 25 -8.955 -1.594 3.943 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.646 -3.679 5.567 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.926 -4.636 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.819 -2.925 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.061 -3.128 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.704 -1.726 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.890 -3.309 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.817 -2.127 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.911 -3.794 3.747 1.00 0.00 H new ATOM 330 N PRO A 26 -7.824 -5.511 3.832 1.00 0.00 N ATOM 331 CA PRO A 26 -7.696 -6.496 2.753 1.00 0.00 C ATOM 332 C PRO A 26 -9.043 -7.076 2.336 1.00 0.00 C ATOM 333 O PRO A 26 -9.410 -8.177 2.748 1.00 0.00 O ATOM 334 CB PRO A 26 -6.812 -7.583 3.369 1.00 0.00 C ATOM 335 CG PRO A 26 -7.034 -7.466 4.837 1.00 0.00 C ATOM 336 CD PRO A 26 -7.272 -6.006 5.105 1.00 0.00 C ATOM 0 HA PRO A 26 -7.283 -6.056 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.089 -8.572 3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.763 -7.432 3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.889 -8.065 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.169 -7.829 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.969 -5.857 5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.349 -5.490 5.370 1.00 0.00 H new ATOM 344 N VAL A 27 -9.776 -6.329 1.517 1.00 0.00 N ATOM 345 CA VAL A 27 -11.082 -6.771 1.043 1.00 0.00 C ATOM 346 C VAL A 27 -10.973 -8.082 0.273 1.00 0.00 C ATOM 347 O VAL A 27 -11.974 -8.757 0.028 1.00 0.00 O ATOM 348 CB VAL A 27 -11.739 -5.711 0.139 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.134 -4.487 0.951 1.00 0.00 C ATOM 350 CG2 VAL A 27 -10.804 -5.328 -0.998 1.00 0.00 C ATOM 0 H VAL A 27 -9.488 -5.415 1.168 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.704 -6.922 1.925 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.644 -6.138 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.596 -3.749 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.842 -4.778 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.246 -4.055 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.284 -4.578 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.880 -4.920 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.577 -6.211 -1.595 1.00 0.00 H new ATOM 360 N LEU A 28 -9.750 -8.439 -0.107 1.00 0.00 N ATOM 361 CA LEU A 28 -9.509 -9.671 -0.850 1.00 0.00 C ATOM 362 C LEU A 28 -8.015 -9.964 -0.946 1.00 0.00 C ATOM 363 O LEU A 28 -7.262 -9.212 -1.565 1.00 0.00 O ATOM 364 CB LEU A 28 -10.112 -9.571 -2.252 1.00 0.00 C ATOM 365 CG LEU A 28 -10.551 -10.890 -2.889 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.369 -11.839 -3.020 1.00 0.00 C ATOM 367 CD2 LEU A 28 -11.664 -11.531 -2.075 1.00 0.00 C ATOM 0 H LEU A 28 -8.911 -7.893 0.087 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.988 -10.490 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.975 -8.907 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.380 -9.100 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.934 -10.679 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.700 -12.772 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.603 -11.382 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.956 -12.044 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.964 -12.469 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.308 -11.728 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.519 -10.857 -2.034 1.00 0.00 H new ATOM 379 N VAL A 29 -7.593 -11.065 -0.331 1.00 0.00 N ATOM 380 CA VAL A 29 -6.189 -11.460 -0.350 1.00 0.00 C ATOM 381 C VAL A 29 -5.986 -12.726 -1.175 1.00 0.00 C ATOM 382 O VAL A 29 -6.479 -13.797 -0.819 1.00 0.00 O ATOM 383 CB VAL A 29 -5.654 -11.697 1.074 1.00 0.00 C ATOM 384 CG1 VAL A 29 -4.164 -12.004 1.041 1.00 0.00 C ATOM 385 CG2 VAL A 29 -5.938 -10.492 1.957 1.00 0.00 C ATOM 0 H VAL A 29 -8.203 -11.699 0.186 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.635 -10.640 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.169 -12.559 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.804 -12.169 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.990 -12.900 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.629 -11.164 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.553 -10.677 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.451 -9.611 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.014 -10.323 2.007 1.00 0.00 H new ATOM 395 N SER A 30 -5.257 -12.597 -2.279 1.00 0.00 N ATOM 396 CA SER A 30 -4.991 -13.730 -3.157 1.00 0.00 C ATOM 397 C SER A 30 -3.558 -14.224 -2.987 1.00 0.00 C ATOM 398 O SER A 30 -2.670 -13.465 -2.598 1.00 0.00 O ATOM 399 CB SER A 30 -5.240 -13.341 -4.615 1.00 0.00 C ATOM 400 OG SER A 30 -4.480 -14.151 -5.496 1.00 0.00 O ATOM 0 H SER A 30 -4.840 -11.718 -2.587 1.00 0.00 H new ATOM 0 HA SER A 30 -5.670 -14.538 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.300 -13.443 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.981 -12.293 -4.764 1.00 0.00 H new ATOM 0 HG SER A 30 -4.434 -13.723 -6.376 1.00 0.00 H new ATOM 406 N SER A 31 -3.340 -15.501 -3.282 1.00 0.00 N ATOM 407 CA SER A 31 -2.016 -16.099 -3.160 1.00 0.00 C ATOM 408 C SER A 31 -1.058 -15.516 -4.194 1.00 0.00 C ATOM 409 O SER A 31 0.138 -15.807 -4.183 1.00 0.00 O ATOM 410 CB SER A 31 -2.101 -17.618 -3.326 1.00 0.00 C ATOM 411 OG SER A 31 -3.351 -18.111 -2.877 1.00 0.00 O ATOM 0 H SER A 31 -4.064 -16.142 -3.607 1.00 0.00 H new ATOM 0 HA SER A 31 -1.632 -15.870 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.958 -17.881 -4.374 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.296 -18.094 -2.765 1.00 0.00 H new ATOM 0 HG SER A 31 -3.381 -19.083 -2.995 1.00 0.00 H new ATOM 417 N ARG A 32 -1.593 -14.689 -5.087 1.00 0.00 N ATOM 418 CA ARG A 32 -0.788 -14.065 -6.129 1.00 0.00 C ATOM 419 C ARG A 32 -0.870 -12.544 -6.042 1.00 0.00 C ATOM 420 O ARG A 32 0.105 -11.843 -6.313 1.00 0.00 O ATOM 421 CB ARG A 32 -1.250 -14.533 -7.510 1.00 0.00 C ATOM 422 CG ARG A 32 -0.153 -14.505 -8.562 1.00 0.00 C ATOM 423 CD ARG A 32 -0.503 -15.382 -9.755 1.00 0.00 C ATOM 424 NE ARG A 32 -0.081 -16.767 -9.558 1.00 0.00 N ATOM 425 CZ ARG A 32 -0.469 -17.770 -10.337 1.00 0.00 C ATOM 426 NH1 ARG A 32 -1.282 -17.544 -11.360 1.00 0.00 N ATOM 427 NH2 ARG A 32 -0.043 -19.003 -10.094 1.00 0.00 N ATOM 0 H ARG A 32 -2.581 -14.436 -5.109 1.00 0.00 H new ATOM 0 HA ARG A 32 0.249 -14.365 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.638 -15.548 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.075 -13.902 -7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.006 -13.480 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.784 -14.845 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.579 -15.351 -9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.028 -14.982 -10.651 1.00 0.00 H new ATOM 0 HE ARG A 32 0.545 -16.975 -8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.611 -16.598 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.578 -18.317 -11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.583 -19.181 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.341 -19.773 -10.693 1.00 0.00 H new ATOM 441 N PHE A 33 -2.040 -12.041 -5.662 1.00 0.00 N ATOM 442 CA PHE A 33 -2.250 -10.603 -5.541 1.00 0.00 C ATOM 443 C PHE A 33 -2.998 -10.269 -4.254 1.00 0.00 C ATOM 444 O PHE A 33 -3.361 -11.160 -3.485 1.00 0.00 O ATOM 445 CB PHE A 33 -3.029 -10.076 -6.748 1.00 0.00 C ATOM 446 CG PHE A 33 -4.411 -10.652 -6.867 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.465 -10.115 -6.146 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.656 -11.731 -7.701 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.737 -10.644 -6.254 1.00 0.00 C ATOM 450 CE2 PHE A 33 -5.926 -12.264 -7.813 1.00 0.00 C ATOM 451 CZ PHE A 33 -6.968 -11.719 -7.089 1.00 0.00 C ATOM 0 H PHE A 33 -2.857 -12.608 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.273 -10.120 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.101 -8.991 -6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.471 -10.301 -7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.291 -9.273 -5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.845 -12.161 -8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.550 -10.217 -5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.103 -13.106 -8.466 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.962 -12.133 -7.176 1.00 0.00 H new ATOM 461 N VAL A 34 -3.225 -8.980 -4.025 1.00 0.00 N ATOM 462 CA VAL A 34 -3.930 -8.527 -2.832 1.00 0.00 C ATOM 463 C VAL A 34 -4.691 -7.234 -3.100 1.00 0.00 C ATOM 464 O VAL A 34 -4.091 -6.192 -3.364 1.00 0.00 O ATOM 465 CB VAL A 34 -2.959 -8.304 -1.657 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.707 -7.792 -0.436 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.211 -9.589 -1.334 1.00 0.00 C ATOM 0 H VAL A 34 -2.931 -8.230 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.637 -9.312 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.229 -7.549 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.005 -7.640 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.193 -6.847 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.460 -8.522 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.529 -9.414 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.924 -10.367 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.643 -9.908 -2.207 1.00 0.00 H new ATOM 477 N ARG A 35 -6.016 -7.308 -3.031 1.00 0.00 N ATOM 478 CA ARG A 35 -6.860 -6.143 -3.268 1.00 0.00 C ATOM 479 C ARG A 35 -7.072 -5.354 -1.979 1.00 0.00 C ATOM 480 O ARG A 35 -7.125 -5.927 -0.890 1.00 0.00 O ATOM 481 CB ARG A 35 -8.210 -6.573 -3.843 1.00 0.00 C ATOM 482 CG ARG A 35 -9.147 -5.412 -4.133 1.00 0.00 C ATOM 483 CD ARG A 35 -10.517 -5.898 -4.579 1.00 0.00 C ATOM 484 NE ARG A 35 -10.580 -6.106 -6.023 1.00 0.00 N ATOM 485 CZ ARG A 35 -11.456 -6.912 -6.613 1.00 0.00 C ATOM 486 NH1 ARG A 35 -12.338 -7.582 -5.885 1.00 0.00 N ATOM 487 NH2 ARG A 35 -11.451 -7.048 -7.932 1.00 0.00 N ATOM 0 H ARG A 35 -6.528 -8.163 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.354 -5.500 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.042 -7.132 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.694 -7.253 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.252 -4.796 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.714 -4.779 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.755 -6.831 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.273 -5.171 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.915 -5.605 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.345 -7.479 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.010 -8.200 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.774 -6.533 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.124 -7.667 -8.383 1.00 0.00 H new ATOM 501 N LEU A 36 -7.192 -4.038 -2.110 1.00 0.00 N ATOM 502 CA LEU A 36 -7.398 -3.170 -0.955 1.00 0.00 C ATOM 503 C LEU A 36 -8.395 -2.062 -1.278 1.00 0.00 C ATOM 504 O LEU A 36 -8.373 -1.493 -2.370 1.00 0.00 O ATOM 505 CB LEU A 36 -6.068 -2.561 -0.507 1.00 0.00 C ATOM 506 CG LEU A 36 -4.883 -3.523 -0.425 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.573 -2.776 -0.624 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.883 -4.257 0.909 1.00 0.00 C ATOM 0 H LEU A 36 -7.150 -3.548 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.805 -3.775 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.810 -1.756 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.211 -2.108 0.474 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.982 -4.259 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.741 -3.478 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.572 -2.297 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.466 -2.017 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.033 -4.938 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.809 -3.535 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.808 -4.825 1.012 1.00 0.00 H new ATOM 520 N SER A 37 -9.266 -1.759 -0.321 1.00 0.00 N ATOM 521 CA SER A 37 -10.272 -0.720 -0.504 1.00 0.00 C ATOM 522 C SER A 37 -10.287 0.238 0.684 1.00 0.00 C ATOM 523 O SER A 37 -10.452 -0.180 1.830 1.00 0.00 O ATOM 524 CB SER A 37 -11.656 -1.346 -0.686 1.00 0.00 C ATOM 525 OG SER A 37 -12.551 -0.436 -1.300 1.00 0.00 O ATOM 0 H SER A 37 -9.295 -2.219 0.589 1.00 0.00 H new ATOM 0 HA SER A 37 -10.016 -0.156 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.574 -2.247 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.051 -1.651 0.283 1.00 0.00 H new ATOM 0 HG SER A 37 -13.428 -0.861 -1.407 1.00 0.00 H new ATOM 531 N TRP A 38 -10.112 1.523 0.401 1.00 0.00 N ATOM 532 CA TRP A 38 -10.104 2.541 1.445 1.00 0.00 C ATOM 533 C TRP A 38 -11.129 3.631 1.151 1.00 0.00 C ATOM 534 O TRP A 38 -11.667 3.708 0.046 1.00 0.00 O ATOM 535 CB TRP A 38 -8.710 3.157 1.576 1.00 0.00 C ATOM 536 CG TRP A 38 -8.148 3.637 0.272 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.089 4.928 -0.169 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.568 2.832 -0.759 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.507 4.974 -1.413 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.177 3.701 -1.797 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.338 1.461 -0.906 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.572 3.242 -2.963 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.737 1.007 -2.065 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.359 1.895 -3.081 1.00 0.00 C ATOM 0 H TRP A 38 -9.974 1.885 -0.542 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.371 2.061 2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.754 3.993 2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.033 2.418 2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.447 5.787 0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.347 5.819 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.625 0.769 -0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.281 3.925 -3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.556 -0.050 -2.190 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.891 1.509 -3.974 1.00 0.00 H new ATOM 555 N ARG A 39 -11.395 4.472 2.145 1.00 0.00 N ATOM 556 CA ARG A 39 -12.357 5.557 1.992 1.00 0.00 C ATOM 557 C ARG A 39 -11.671 6.824 1.490 1.00 0.00 C ATOM 558 O ARG A 39 -10.639 7.249 2.010 1.00 0.00 O ATOM 559 CB ARG A 39 -13.059 5.837 3.322 1.00 0.00 C ATOM 560 CG ARG A 39 -12.300 6.799 4.220 1.00 0.00 C ATOM 561 CD ARG A 39 -12.643 8.246 3.904 1.00 0.00 C ATOM 562 NE ARG A 39 -12.412 9.126 5.046 1.00 0.00 N ATOM 563 CZ ARG A 39 -13.109 9.064 6.175 1.00 0.00 C ATOM 564 NH1 ARG A 39 -14.076 8.167 6.312 1.00 0.00 N ATOM 565 NH2 ARG A 39 -12.839 9.899 7.170 1.00 0.00 N ATOM 0 H ARG A 39 -10.958 4.423 3.065 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.099 5.250 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -14.050 6.245 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.204 4.896 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.536 6.588 5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.228 6.643 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.043 8.584 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.688 8.313 3.601 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.675 9.827 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.286 7.523 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.610 8.121 7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.095 10.590 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.375 9.850 8.036 1.00 0.00 H new ATOM 579 N PRO A 40 -12.256 7.444 0.454 1.00 0.00 N ATOM 580 CA PRO A 40 -11.719 8.671 -0.141 1.00 0.00 C ATOM 581 C PRO A 40 -11.861 9.874 0.785 1.00 0.00 C ATOM 582 O PRO A 40 -12.815 9.987 1.554 1.00 0.00 O ATOM 583 CB PRO A 40 -12.573 8.860 -1.397 1.00 0.00 C ATOM 584 CG PRO A 40 -13.852 8.159 -1.094 1.00 0.00 C ATOM 585 CD PRO A 40 -13.488 6.994 -0.216 1.00 0.00 C ATOM 0 HA PRO A 40 -10.651 8.592 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.741 9.916 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.086 8.434 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.552 8.825 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.338 7.821 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.277 6.770 0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.321 6.088 -0.799 1.00 0.00 H new ATOM 593 N PRO A 41 -10.889 10.796 0.711 1.00 0.00 N ATOM 594 CA PRO A 41 -10.884 12.008 1.536 1.00 0.00 C ATOM 595 C PRO A 41 -11.980 12.989 1.132 1.00 0.00 C ATOM 596 O PRO A 41 -11.861 13.688 0.126 1.00 0.00 O ATOM 597 CB PRO A 41 -9.503 12.612 1.270 1.00 0.00 C ATOM 598 CG PRO A 41 -9.117 12.099 -0.074 1.00 0.00 C ATOM 599 CD PRO A 41 -9.722 10.727 -0.183 1.00 0.00 C ATOM 0 HA PRO A 41 -11.073 11.787 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.538 13.701 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.785 12.308 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.489 12.753 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.033 12.057 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.014 10.497 -1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.021 9.953 0.130 1.00 0.00 H new ATOM 607 N ALA A 42 -13.048 13.034 1.922 1.00 0.00 N ATOM 608 CA ALA A 42 -14.164 13.931 1.648 1.00 0.00 C ATOM 609 C ALA A 42 -13.671 15.338 1.327 1.00 0.00 C ATOM 610 O ALA A 42 -14.316 16.075 0.581 1.00 0.00 O ATOM 611 CB ALA A 42 -15.119 13.962 2.832 1.00 0.00 C ATOM 0 H ALA A 42 -13.164 12.460 2.757 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.696 13.553 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.948 14.636 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.505 12.959 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.589 14.313 3.718 1.00 0.00 H new ATOM 617 N GLU A 43 -12.526 15.703 1.894 1.00 0.00 N ATOM 618 CA GLU A 43 -11.949 17.024 1.668 1.00 0.00 C ATOM 619 C GLU A 43 -10.576 16.912 1.012 1.00 0.00 C ATOM 620 O GLU A 43 -9.550 16.905 1.691 1.00 0.00 O ATOM 621 CB GLU A 43 -11.834 17.787 2.989 1.00 0.00 C ATOM 622 CG GLU A 43 -13.109 18.513 3.386 1.00 0.00 C ATOM 623 CD GLU A 43 -12.840 19.758 4.208 1.00 0.00 C ATOM 624 OE1 GLU A 43 -11.958 19.706 5.091 1.00 0.00 O ATOM 625 OE2 GLU A 43 -13.511 20.784 3.970 1.00 0.00 O ATOM 0 H GLU A 43 -11.980 15.104 2.513 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.610 17.572 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.563 17.088 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.023 18.511 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.661 18.788 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.745 17.836 3.956 1.00 0.00 H new ATOM 632 N ALA A 44 -10.567 16.825 -0.314 1.00 0.00 N ATOM 633 CA ALA A 44 -9.321 16.715 -1.064 1.00 0.00 C ATOM 634 C ALA A 44 -8.756 18.093 -1.394 1.00 0.00 C ATOM 635 O ALA A 44 -7.714 18.210 -2.039 1.00 0.00 O ATOM 636 CB ALA A 44 -9.541 15.914 -2.338 1.00 0.00 C ATOM 0 H ALA A 44 -11.408 16.829 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.595 16.193 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.603 15.840 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.892 14.914 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.286 16.413 -2.958 1.00 0.00 H new ATOM 642 N LYS A 45 -9.451 19.134 -0.948 1.00 0.00 N ATOM 643 CA LYS A 45 -9.019 20.505 -1.195 1.00 0.00 C ATOM 644 C LYS A 45 -8.745 20.730 -2.679 1.00 0.00 C ATOM 645 O LYS A 45 -7.778 21.394 -3.048 1.00 0.00 O ATOM 646 CB LYS A 45 -7.762 20.820 -0.381 1.00 0.00 C ATOM 647 CG LYS A 45 -7.943 20.628 1.115 1.00 0.00 C ATOM 648 CD LYS A 45 -8.943 21.619 1.687 1.00 0.00 C ATOM 649 CE LYS A 45 -10.357 21.059 1.666 1.00 0.00 C ATOM 650 NZ LYS A 45 -11.377 22.133 1.515 1.00 0.00 N ATOM 0 H LYS A 45 -10.316 19.054 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.822 21.174 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.947 20.183 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.463 21.851 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.282 19.611 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.983 20.748 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.665 21.869 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.909 22.545 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.454 20.348 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.543 20.508 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.327 21.710 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.302 22.798 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.215 22.642 0.623 1.00 0.00 H new ATOM 664 N GLY A 46 -9.605 20.173 -3.526 1.00 0.00 N ATOM 665 CA GLY A 46 -9.440 20.326 -4.959 1.00 0.00 C ATOM 666 C GLY A 46 -9.798 19.066 -5.722 1.00 0.00 C ATOM 667 O GLY A 46 -10.966 18.831 -6.030 1.00 0.00 O ATOM 0 H GLY A 46 -10.413 19.618 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.065 21.148 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.407 20.597 -5.176 1.00 0.00 H new ATOM 671 N ASN A 47 -8.791 18.255 -6.030 1.00 0.00 N ATOM 672 CA ASN A 47 -9.006 17.014 -6.764 1.00 0.00 C ATOM 673 C ASN A 47 -7.742 16.160 -6.772 1.00 0.00 C ATOM 674 O ASN A 47 -6.632 16.679 -6.893 1.00 0.00 O ATOM 675 CB ASN A 47 -9.441 17.315 -8.200 1.00 0.00 C ATOM 676 CG ASN A 47 -10.090 16.119 -8.870 1.00 0.00 C ATOM 677 OD1 ASN A 47 -9.480 15.458 -9.711 1.00 0.00 O ATOM 678 ND2 ASN A 47 -11.333 15.836 -8.499 1.00 0.00 N ATOM 0 H ASN A 47 -7.818 18.435 -5.782 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.796 16.456 -6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.141 18.151 -8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.574 17.628 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.821 15.043 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.800 16.412 -7.798 1.00 0.00 H new ATOM 685 N ILE A 48 -7.918 14.850 -6.643 1.00 0.00 N ATOM 686 CA ILE A 48 -6.792 13.925 -6.637 1.00 0.00 C ATOM 687 C ILE A 48 -6.657 13.214 -7.980 1.00 0.00 C ATOM 688 O ILE A 48 -7.654 12.845 -8.600 1.00 0.00 O ATOM 689 CB ILE A 48 -6.934 12.871 -5.523 1.00 0.00 C ATOM 690 CG1 ILE A 48 -6.770 13.524 -4.149 1.00 0.00 C ATOM 691 CG2 ILE A 48 -5.914 11.759 -5.713 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.529 12.815 -3.049 1.00 0.00 C ATOM 0 H ILE A 48 -8.830 14.405 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.897 14.519 -6.451 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.932 12.435 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.711 13.549 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.109 14.559 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.027 11.022 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.075 11.279 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.908 12.178 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.367 13.332 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.593 12.813 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.174 11.788 -2.966 1.00 0.00 H new ATOM 704 N GLN A 49 -5.418 13.024 -8.421 1.00 0.00 N ATOM 705 CA GLN A 49 -5.153 12.357 -9.690 1.00 0.00 C ATOM 706 C GLN A 49 -5.224 10.841 -9.532 1.00 0.00 C ATOM 707 O GLN A 49 -6.021 10.174 -10.193 1.00 0.00 O ATOM 708 CB GLN A 49 -3.779 12.762 -10.227 1.00 0.00 C ATOM 709 CG GLN A 49 -3.667 14.242 -10.555 1.00 0.00 C ATOM 710 CD GLN A 49 -4.719 14.701 -11.545 1.00 0.00 C ATOM 711 OE1 GLN A 49 -4.531 14.607 -12.758 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.837 15.202 -11.031 1.00 0.00 N ATOM 0 H GLN A 49 -4.582 13.322 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.918 12.667 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.019 12.503 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.563 12.182 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.760 14.822 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.677 14.446 -10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.951 15.261 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.581 15.527 -11.648 1.00 0.00 H new ATOM 721 N THR A 50 -4.385 10.302 -8.653 1.00 0.00 N ATOM 722 CA THR A 50 -4.351 8.866 -8.410 1.00 0.00 C ATOM 723 C THR A 50 -3.890 8.559 -6.989 1.00 0.00 C ATOM 724 O THR A 50 -3.517 9.461 -6.239 1.00 0.00 O ATOM 725 CB THR A 50 -3.420 8.149 -9.406 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.383 6.747 -9.119 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.013 8.723 -9.339 1.00 0.00 C ATOM 0 H THR A 50 -3.720 10.839 -8.097 1.00 0.00 H new ATOM 0 HA THR A 50 -5.368 8.499 -8.546 1.00 0.00 H new ATOM 0 HB THR A 50 -3.811 8.303 -10.412 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.924 6.276 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.373 8.202 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.041 9.784 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.615 8.595 -8.332 1.00 0.00 H new ATOM 735 N PHE A 51 -3.917 7.281 -6.626 1.00 0.00 N ATOM 736 CA PHE A 51 -3.502 6.856 -5.295 1.00 0.00 C ATOM 737 C PHE A 51 -2.297 5.922 -5.373 1.00 0.00 C ATOM 738 O PHE A 51 -2.264 5.000 -6.189 1.00 0.00 O ATOM 739 CB PHE A 51 -4.657 6.157 -4.576 1.00 0.00 C ATOM 740 CG PHE A 51 -5.713 7.102 -4.078 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.626 7.666 -4.954 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.793 7.426 -2.733 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.598 8.537 -4.499 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.763 8.295 -2.271 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.667 8.851 -3.156 1.00 0.00 C ATOM 0 H PHE A 51 -4.222 6.522 -7.235 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.216 7.744 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.115 5.438 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.260 5.591 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.578 7.422 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.089 6.994 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.303 8.971 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.814 8.539 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.426 9.530 -2.798 1.00 0.00 H new ATOM 755 N THR A 52 -1.309 6.168 -4.519 1.00 0.00 N ATOM 756 CA THR A 52 -0.102 5.352 -4.492 1.00 0.00 C ATOM 757 C THR A 52 -0.239 4.200 -3.503 1.00 0.00 C ATOM 758 O THR A 52 -0.754 4.374 -2.399 1.00 0.00 O ATOM 759 CB THR A 52 1.135 6.191 -4.117 1.00 0.00 C ATOM 760 OG1 THR A 52 1.198 7.364 -4.935 1.00 0.00 O ATOM 761 CG2 THR A 52 2.411 5.379 -4.287 1.00 0.00 C ATOM 0 H THR A 52 -1.321 6.926 -3.837 1.00 0.00 H new ATOM 0 HA THR A 52 0.031 4.951 -5.497 1.00 0.00 H new ATOM 0 HB THR A 52 1.045 6.483 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.340 8.151 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.271 5.992 -4.017 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.373 4.502 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.504 5.061 -5.325 1.00 0.00 H new ATOM 769 N VAL A 53 0.226 3.022 -3.907 1.00 0.00 N ATOM 770 CA VAL A 53 0.156 1.840 -3.055 1.00 0.00 C ATOM 771 C VAL A 53 1.504 1.130 -2.990 1.00 0.00 C ATOM 772 O VAL A 53 1.897 0.435 -3.927 1.00 0.00 O ATOM 773 CB VAL A 53 -0.911 0.849 -3.556 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.831 -0.458 -2.782 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.299 1.461 -3.446 1.00 0.00 C ATOM 0 H VAL A 53 0.655 2.861 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.119 2.184 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.717 0.633 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.592 -1.146 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.155 -0.902 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.998 -0.264 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.041 0.747 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.506 1.708 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.346 2.367 -4.050 1.00 0.00 H new ATOM 785 N PHE A 54 2.207 1.309 -1.877 1.00 0.00 N ATOM 786 CA PHE A 54 3.512 0.685 -1.688 1.00 0.00 C ATOM 787 C PHE A 54 3.371 -0.680 -1.021 1.00 0.00 C ATOM 788 O PHE A 54 2.411 -0.931 -0.292 1.00 0.00 O ATOM 789 CB PHE A 54 4.415 1.587 -0.844 1.00 0.00 C ATOM 790 CG PHE A 54 4.646 2.941 -1.452 1.00 0.00 C ATOM 791 CD1 PHE A 54 3.689 3.937 -1.341 1.00 0.00 C ATOM 792 CD2 PHE A 54 5.820 3.218 -2.133 1.00 0.00 C ATOM 793 CE1 PHE A 54 3.899 5.183 -1.900 1.00 0.00 C ATOM 794 CE2 PHE A 54 6.036 4.463 -2.693 1.00 0.00 C ATOM 795 CZ PHE A 54 5.075 5.447 -2.576 1.00 0.00 C ATOM 0 H PHE A 54 1.895 1.881 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 54 3.965 0.545 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.970 1.712 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.376 1.093 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.769 3.737 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.576 2.452 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.144 5.950 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.956 4.666 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.242 6.421 -3.012 1.00 0.00 H new ATOM 805 N PHE A 55 4.334 -1.559 -1.277 1.00 0.00 N ATOM 806 CA PHE A 55 4.317 -2.900 -0.704 1.00 0.00 C ATOM 807 C PHE A 55 5.725 -3.487 -0.653 1.00 0.00 C ATOM 808 O PHE A 55 6.497 -3.361 -1.604 1.00 0.00 O ATOM 809 CB PHE A 55 3.400 -3.815 -1.518 1.00 0.00 C ATOM 810 CG PHE A 55 3.579 -3.676 -3.003 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.048 -2.589 -3.679 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.279 -4.631 -3.722 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.211 -2.459 -5.045 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.445 -4.506 -5.088 1.00 0.00 C ATOM 815 CZ PHE A 55 3.912 -3.418 -5.751 1.00 0.00 C ATOM 0 H PHE A 55 5.136 -1.367 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 55 3.935 -2.828 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.587 -4.850 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.363 -3.597 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.501 -1.835 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.700 -5.483 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.791 -1.608 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.991 -5.259 -5.637 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.043 -3.317 -6.818 1.00 0.00 H new ATOM 825 N SER A 56 6.052 -4.129 0.464 1.00 0.00 N ATOM 826 CA SER A 56 7.367 -4.732 0.642 1.00 0.00 C ATOM 827 C SER A 56 7.268 -6.024 1.449 1.00 0.00 C ATOM 828 O SER A 56 6.308 -6.234 2.189 1.00 0.00 O ATOM 829 CB SER A 56 8.311 -3.752 1.341 1.00 0.00 C ATOM 830 OG SER A 56 7.804 -3.372 2.609 1.00 0.00 O ATOM 0 H SER A 56 5.424 -4.245 1.259 1.00 0.00 H new ATOM 0 HA SER A 56 7.767 -4.969 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.293 -4.210 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.446 -2.867 0.720 1.00 0.00 H new ATOM 0 HG SER A 56 8.426 -2.747 3.036 1.00 0.00 H new ATOM 836 N ARG A 57 8.269 -6.885 1.299 1.00 0.00 N ATOM 837 CA ARG A 57 8.295 -8.157 2.012 1.00 0.00 C ATOM 838 C ARG A 57 8.894 -7.987 3.405 1.00 0.00 C ATOM 839 O ARG A 57 9.706 -7.092 3.637 1.00 0.00 O ATOM 840 CB ARG A 57 9.099 -9.192 1.223 1.00 0.00 C ATOM 841 CG ARG A 57 9.261 -10.519 1.946 1.00 0.00 C ATOM 842 CD ARG A 57 9.725 -11.616 1.001 1.00 0.00 C ATOM 843 NE ARG A 57 10.383 -12.709 1.712 1.00 0.00 N ATOM 844 CZ ARG A 57 11.235 -13.551 1.139 1.00 0.00 C ATOM 845 NH1 ARG A 57 11.531 -13.426 -0.147 1.00 0.00 N ATOM 846 NH2 ARG A 57 11.793 -14.520 1.852 1.00 0.00 N ATOM 0 H ARG A 57 9.072 -6.725 0.691 1.00 0.00 H new ATOM 0 HA ARG A 57 7.268 -8.507 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.609 -9.367 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.086 -8.784 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.981 -10.407 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.312 -10.805 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.869 -12.006 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.412 -11.195 0.267 1.00 0.00 H new ATOM 0 HE ARG A 57 10.177 -12.832 2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.104 -12.682 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.186 -14.074 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.568 -14.619 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.447 -15.166 1.410 1.00 0.00 H new ATOM 860 N GLU A 58 8.486 -8.852 4.329 1.00 0.00 N ATOM 861 CA GLU A 58 8.981 -8.796 5.699 1.00 0.00 C ATOM 862 C GLU A 58 10.501 -8.925 5.734 1.00 0.00 C ATOM 863 O GLU A 58 11.066 -9.881 5.204 1.00 0.00 O ATOM 864 CB GLU A 58 8.344 -9.903 6.541 1.00 0.00 C ATOM 865 CG GLU A 58 8.473 -9.680 8.038 1.00 0.00 C ATOM 866 CD GLU A 58 9.783 -10.204 8.595 1.00 0.00 C ATOM 867 OE1 GLU A 58 9.867 -11.418 8.873 1.00 0.00 O ATOM 868 OE2 GLU A 58 10.724 -9.398 8.754 1.00 0.00 O ATOM 0 H GLU A 58 7.814 -9.599 4.153 1.00 0.00 H new ATOM 0 HA GLU A 58 8.706 -7.828 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.288 -9.981 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.806 -10.856 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.392 -8.614 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.644 -10.171 8.548 1.00 0.00 H new ATOM 875 N GLY A 59 11.158 -7.954 6.362 1.00 0.00 N ATOM 876 CA GLY A 59 12.606 -7.977 6.454 1.00 0.00 C ATOM 877 C GLY A 59 13.258 -6.915 5.592 1.00 0.00 C ATOM 878 O GLY A 59 13.977 -6.052 6.096 1.00 0.00 O ATOM 0 H GLY A 59 10.713 -7.152 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.903 -7.831 7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.971 -8.959 6.153 1.00 0.00 H new ATOM 882 N ASP A 60 13.010 -6.979 4.288 1.00 0.00 N ATOM 883 CA ASP A 60 13.580 -6.015 3.353 1.00 0.00 C ATOM 884 C ASP A 60 13.396 -4.589 3.864 1.00 0.00 C ATOM 885 O ASP A 60 12.642 -4.349 4.805 1.00 0.00 O ATOM 886 CB ASP A 60 12.932 -6.164 1.976 1.00 0.00 C ATOM 887 CG ASP A 60 13.354 -7.439 1.272 1.00 0.00 C ATOM 888 OD1 ASP A 60 14.131 -8.215 1.867 1.00 0.00 O ATOM 889 OD2 ASP A 60 12.909 -7.661 0.127 1.00 0.00 O ATOM 0 H ASP A 60 12.418 -7.688 3.855 1.00 0.00 H new ATOM 0 HA ASP A 60 14.648 -6.216 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.848 -6.155 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.198 -5.306 1.358 1.00 0.00 H new ATOM 894 N ASN A 61 14.093 -3.647 3.236 1.00 0.00 N ATOM 895 CA ASN A 61 14.008 -2.245 3.628 1.00 0.00 C ATOM 896 C ASN A 61 13.278 -1.427 2.567 1.00 0.00 C ATOM 897 O ASN A 61 12.393 -0.631 2.882 1.00 0.00 O ATOM 898 CB ASN A 61 15.408 -1.672 3.856 1.00 0.00 C ATOM 899 CG ASN A 61 16.306 -1.839 2.645 1.00 0.00 C ATOM 900 OD1 ASN A 61 16.188 -2.813 1.901 1.00 0.00 O ATOM 901 ND2 ASN A 61 17.209 -0.888 2.442 1.00 0.00 N ATOM 0 H ASN A 61 14.722 -3.829 2.454 1.00 0.00 H new ATOM 0 HA ASN A 61 13.443 -2.187 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 61 15.328 -0.613 4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 61 15.864 -2.166 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.841 -0.947 1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 61 17.271 -0.098 3.085 1.00 0.00 H new ATOM 908 N ARG A 62 13.655 -1.629 1.309 1.00 0.00 N ATOM 909 CA ARG A 62 13.037 -0.910 0.201 1.00 0.00 C ATOM 910 C ARG A 62 11.631 -1.436 -0.072 1.00 0.00 C ATOM 911 O ARG A 62 11.150 -2.334 0.619 1.00 0.00 O ATOM 912 CB ARG A 62 13.895 -1.037 -1.059 1.00 0.00 C ATOM 913 CG ARG A 62 14.069 -2.470 -1.535 1.00 0.00 C ATOM 914 CD ARG A 62 15.328 -2.630 -2.373 1.00 0.00 C ATOM 915 NE ARG A 62 15.235 -1.914 -3.642 1.00 0.00 N ATOM 916 CZ ARG A 62 16.039 -2.142 -4.675 1.00 0.00 C ATOM 917 NH1 ARG A 62 16.991 -3.062 -4.588 1.00 0.00 N ATOM 918 NH2 ARG A 62 15.892 -1.450 -5.797 1.00 0.00 N ATOM 0 H ARG A 62 14.385 -2.285 1.031 1.00 0.00 H new ATOM 0 HA ARG A 62 12.965 0.142 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.442 -0.450 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.877 -0.606 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.116 -3.137 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.200 -2.768 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.187 -2.262 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.503 -3.688 -2.566 1.00 0.00 H new ATOM 0 HE ARG A 62 14.513 -1.200 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.107 -3.596 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.607 -3.235 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.161 -0.742 -5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.510 -1.626 -6.589 1.00 0.00 H new ATOM 932 N GLU A 63 10.979 -0.871 -1.083 1.00 0.00 N ATOM 933 CA GLU A 63 9.628 -1.283 -1.445 1.00 0.00 C ATOM 934 C GLU A 63 9.259 -0.774 -2.835 1.00 0.00 C ATOM 935 O GLU A 63 9.881 0.154 -3.354 1.00 0.00 O ATOM 936 CB GLU A 63 8.620 -0.766 -0.416 1.00 0.00 C ATOM 937 CG GLU A 63 8.330 0.720 -0.541 1.00 0.00 C ATOM 938 CD GLU A 63 9.248 1.568 0.318 1.00 0.00 C ATOM 939 OE1 GLU A 63 10.405 1.152 0.539 1.00 0.00 O ATOM 940 OE2 GLU A 63 8.809 2.646 0.771 1.00 0.00 O ATOM 0 H GLU A 63 11.364 -0.127 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 63 9.598 -2.373 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.687 -1.320 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.999 -0.971 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.434 1.020 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.295 0.910 -0.257 1.00 0.00 H new ATOM 947 N ARG A 64 8.243 -1.388 -3.433 1.00 0.00 N ATOM 948 CA ARG A 64 7.791 -0.999 -4.764 1.00 0.00 C ATOM 949 C ARG A 64 6.735 0.099 -4.680 1.00 0.00 C ATOM 950 O ARG A 64 6.365 0.536 -3.591 1.00 0.00 O ATOM 951 CB ARG A 64 7.225 -2.210 -5.508 1.00 0.00 C ATOM 952 CG ARG A 64 8.294 -3.137 -6.064 1.00 0.00 C ATOM 953 CD ARG A 64 7.743 -4.019 -7.174 1.00 0.00 C ATOM 954 NE ARG A 64 8.683 -5.070 -7.555 1.00 0.00 N ATOM 955 CZ ARG A 64 9.816 -4.841 -8.209 1.00 0.00 C ATOM 956 NH1 ARG A 64 10.148 -3.604 -8.553 1.00 0.00 N ATOM 957 NH2 ARG A 64 10.619 -5.850 -8.520 1.00 0.00 N ATOM 0 H ARG A 64 7.717 -2.157 -3.017 1.00 0.00 H new ATOM 0 HA ARG A 64 8.649 -0.613 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.583 -2.774 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.596 -1.861 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.127 -2.546 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.688 -3.762 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.807 -4.471 -6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.513 -3.405 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 64 8.457 -6.033 -7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.533 -2.826 -8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.019 -3.431 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.366 -6.803 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.489 -5.673 -9.022 1.00 0.00 H new ATOM 971 N ALA A 65 6.255 0.541 -5.838 1.00 0.00 N ATOM 972 CA ALA A 65 5.241 1.587 -5.895 1.00 0.00 C ATOM 973 C ALA A 65 4.327 1.400 -7.101 1.00 0.00 C ATOM 974 O ALA A 65 4.793 1.133 -8.210 1.00 0.00 O ATOM 975 CB ALA A 65 5.899 2.958 -5.937 1.00 0.00 C ATOM 0 H ALA A 65 6.552 0.191 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 65 4.631 1.516 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.130 3.729 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.505 3.098 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.534 3.030 -6.820 1.00 0.00 H new ATOM 981 N LEU A 66 3.025 1.539 -6.878 1.00 0.00 N ATOM 982 CA LEU A 66 2.045 1.385 -7.948 1.00 0.00 C ATOM 983 C LEU A 66 0.920 2.405 -7.807 1.00 0.00 C ATOM 984 O LEU A 66 0.100 2.317 -6.893 1.00 0.00 O ATOM 985 CB LEU A 66 1.469 -0.032 -7.937 1.00 0.00 C ATOM 986 CG LEU A 66 0.397 -0.329 -8.987 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.920 -0.027 -10.383 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.060 -1.777 -8.888 1.00 0.00 C ATOM 0 H LEU A 66 2.623 1.758 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 66 2.550 1.558 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.289 -0.737 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.046 -0.223 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.461 0.315 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.144 -0.244 -11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.197 1.025 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.794 -0.645 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.823 -1.970 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.790 -2.439 -9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.475 -1.961 -7.897 1.00 0.00 H new ATOM 1000 N ASN A 67 0.887 3.371 -8.718 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.139 4.408 -8.697 1.00 0.00 C ATOM 1002 C ASN A 67 -1.101 4.247 -9.870 1.00 0.00 C ATOM 1003 O ASN A 67 -0.781 4.607 -11.004 1.00 0.00 O ATOM 1004 CB ASN A 67 0.506 5.794 -8.738 1.00 0.00 C ATOM 1005 CG ASN A 67 1.766 5.821 -9.581 1.00 0.00 C ATOM 1006 OD1 ASN A 67 2.848 5.465 -9.113 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.631 6.243 -10.833 1.00 0.00 N ATOM 0 H ASN A 67 1.559 3.458 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.704 4.305 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.210 6.513 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.745 6.111 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.443 6.282 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.715 6.528 -11.179 1.00 0.00 H new ATOM 1014 N THR A 68 -2.281 3.703 -9.591 1.00 0.00 N ATOM 1015 CA THR A 68 -3.289 3.493 -10.623 1.00 0.00 C ATOM 1016 C THR A 68 -4.651 3.191 -10.008 1.00 0.00 C ATOM 1017 O THR A 68 -4.851 2.137 -9.402 1.00 0.00 O ATOM 1018 CB THR A 68 -2.897 2.339 -11.565 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.677 2.655 -12.245 1.00 0.00 O ATOM 1020 CG2 THR A 68 -3.996 2.074 -12.583 1.00 0.00 C ATOM 0 H THR A 68 -2.562 3.400 -8.659 1.00 0.00 H new ATOM 0 HA THR A 68 -3.350 4.417 -11.198 1.00 0.00 H new ATOM 0 HB THR A 68 -2.756 1.441 -10.964 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.495 3.614 -12.161 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.696 1.255 -13.237 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.916 1.806 -12.064 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.164 2.971 -13.179 1.00 0.00 H new ATOM 1028 N THR A 69 -5.586 4.122 -10.166 1.00 0.00 N ATOM 1029 CA THR A 69 -6.930 3.956 -9.626 1.00 0.00 C ATOM 1030 C THR A 69 -7.965 4.652 -10.502 1.00 0.00 C ATOM 1031 O THR A 69 -7.846 5.843 -10.790 1.00 0.00 O ATOM 1032 CB THR A 69 -7.031 4.509 -8.192 1.00 0.00 C ATOM 1033 OG1 THR A 69 -6.110 5.592 -8.019 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.740 3.421 -7.170 1.00 0.00 C ATOM 0 H THR A 69 -5.437 5.000 -10.664 1.00 0.00 H new ATOM 0 HA THR A 69 -7.134 2.885 -9.610 1.00 0.00 H new ATOM 0 HB THR A 69 -8.048 4.869 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.602 6.406 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.817 3.836 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.461 2.612 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.733 3.035 -7.326 1.00 0.00 H new ATOM 1042 N GLN A 70 -8.979 3.903 -10.921 1.00 0.00 N ATOM 1043 CA GLN A 70 -10.035 4.450 -11.765 1.00 0.00 C ATOM 1044 C GLN A 70 -10.434 5.847 -11.300 1.00 0.00 C ATOM 1045 O GLN A 70 -10.182 6.245 -10.162 1.00 0.00 O ATOM 1046 CB GLN A 70 -11.256 3.528 -11.753 1.00 0.00 C ATOM 1047 CG GLN A 70 -11.206 2.441 -12.815 1.00 0.00 C ATOM 1048 CD GLN A 70 -12.541 1.747 -13.002 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -13.232 1.433 -12.032 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -12.913 1.505 -14.253 1.00 0.00 N ATOM 0 H GLN A 70 -9.092 2.916 -10.690 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.652 4.521 -12.783 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.340 3.062 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.155 4.127 -11.899 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.892 2.878 -13.763 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.453 1.703 -12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.310 1.782 -15.027 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.802 1.042 -14.440 1.00 0.00 H new ATOM 1059 N PRO A 71 -11.072 6.610 -12.199 1.00 0.00 N ATOM 1060 CA PRO A 71 -11.520 7.975 -11.904 1.00 0.00 C ATOM 1061 C PRO A 71 -12.678 8.003 -10.913 1.00 0.00 C ATOM 1062 O PRO A 71 -13.843 8.042 -11.306 1.00 0.00 O ATOM 1063 CB PRO A 71 -11.970 8.504 -13.268 1.00 0.00 C ATOM 1064 CG PRO A 71 -12.334 7.286 -14.045 1.00 0.00 C ATOM 1065 CD PRO A 71 -11.405 6.201 -13.574 1.00 0.00 C ATOM 0 HA PRO A 71 -10.734 8.570 -11.439 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.820 9.180 -13.170 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.173 9.063 -13.758 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.375 7.010 -13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.222 7.458 -15.115 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.885 5.223 -13.597 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.515 6.134 -14.200 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.350 7.983 -9.625 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.375 8.007 -8.598 1.00 0.00 C ATOM 1075 C GLY A 72 -13.280 6.823 -7.655 1.00 0.00 C ATOM 1076 O GLY A 72 -13.604 6.935 -6.473 1.00 0.00 O ATOM 0 H GLY A 72 -11.393 7.951 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.290 8.931 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.358 8.014 -9.070 1.00 0.00 H new ATOM 1080 N SER A 73 -12.835 5.686 -8.180 1.00 0.00 N ATOM 1081 CA SER A 73 -12.704 4.475 -7.379 1.00 0.00 C ATOM 1082 C SER A 73 -11.343 4.424 -6.690 1.00 0.00 C ATOM 1083 O SER A 73 -10.308 4.661 -7.316 1.00 0.00 O ATOM 1084 CB SER A 73 -12.891 3.235 -8.255 1.00 0.00 C ATOM 1085 OG SER A 73 -14.254 2.852 -8.312 1.00 0.00 O ATOM 0 H SER A 73 -12.559 5.578 -9.156 1.00 0.00 H new ATOM 0 HA SER A 73 -13.480 4.490 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.525 3.438 -9.261 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.295 2.413 -7.859 1.00 0.00 H new ATOM 0 HG SER A 73 -14.347 2.058 -8.879 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.352 4.113 -5.399 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.119 4.031 -4.624 1.00 0.00 C ATOM 1093 C LEU A 74 -9.735 2.577 -4.363 1.00 0.00 C ATOM 1094 O LEU A 74 -9.184 2.250 -3.313 1.00 0.00 O ATOM 1095 CB LEU A 74 -10.277 4.774 -3.296 1.00 0.00 C ATOM 1096 CG LEU A 74 -10.611 6.262 -3.396 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -12.104 6.461 -3.609 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -10.146 6.998 -2.148 1.00 0.00 C ATOM 0 H LEU A 74 -12.199 3.913 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.324 4.500 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.062 4.284 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.351 4.667 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.084 6.676 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.323 7.527 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.409 5.968 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.652 6.032 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.392 8.056 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.645 6.582 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.067 6.884 -2.039 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.029 1.711 -5.328 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.714 0.293 -5.203 1.00 0.00 C ATOM 1112 C GLN A 75 -8.573 -0.095 -6.138 1.00 0.00 C ATOM 1113 O GLN A 75 -8.607 0.202 -7.333 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.950 -0.555 -5.508 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.094 -0.335 -4.532 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.400 -0.929 -5.021 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -14.346 -0.206 -5.336 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -13.460 -2.254 -5.088 1.00 0.00 N ATOM 0 H GLN A 75 -10.484 1.967 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.399 0.106 -4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.295 -0.329 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.670 -1.608 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.836 -0.777 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.225 0.734 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.653 -2.815 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.313 -2.710 -5.410 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.563 -0.759 -5.586 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.410 -1.188 -6.371 1.00 0.00 C ATOM 1129 C LEU A 76 -6.000 -2.610 -6.002 1.00 0.00 C ATOM 1130 O LEU A 76 -5.969 -2.975 -4.826 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.235 -0.233 -6.152 1.00 0.00 C ATOM 1132 CG LEU A 76 -3.936 -0.590 -6.875 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.194 -0.804 -8.359 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -2.893 0.498 -6.665 1.00 0.00 C ATOM 0 H LEU A 76 -7.519 -1.012 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.691 -1.172 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.540 0.765 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.030 -0.181 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.552 -1.520 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.259 -1.057 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.907 -1.618 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.601 0.109 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.975 0.227 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.269 1.443 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.687 0.604 -5.600 1.00 0.00 H new ATOM 1146 N THR A 77 -5.682 -3.410 -7.015 1.00 0.00 N ATOM 1147 CA THR A 77 -5.272 -4.792 -6.799 1.00 0.00 C ATOM 1148 C THR A 77 -3.798 -4.987 -7.136 1.00 0.00 C ATOM 1149 O THR A 77 -3.409 -4.958 -8.303 1.00 0.00 O ATOM 1150 CB THR A 77 -6.114 -5.767 -7.644 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.507 -5.473 -7.487 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.845 -7.207 -7.236 1.00 0.00 C ATOM 0 H THR A 77 -5.701 -3.124 -7.994 1.00 0.00 H new ATOM 0 HA THR A 77 -5.432 -5.008 -5.743 1.00 0.00 H new ATOM 0 HB THR A 77 -5.833 -5.644 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.036 -6.096 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.451 -7.877 -7.846 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.790 -7.436 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.102 -7.341 -6.185 1.00 0.00 H new ATOM 1160 N VAL A 78 -2.982 -5.187 -6.106 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.550 -5.390 -6.293 1.00 0.00 C ATOM 1162 C VAL A 78 -1.225 -6.866 -6.493 1.00 0.00 C ATOM 1163 O VAL A 78 -1.422 -7.683 -5.595 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.746 -4.856 -5.093 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.739 -5.129 -5.281 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.003 -3.370 -4.898 1.00 0.00 C ATOM 0 H VAL A 78 -3.288 -5.213 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.266 -4.835 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.076 -5.379 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.291 -4.745 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.903 -6.203 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.088 -4.635 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.427 -3.010 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.702 -2.828 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.065 -3.205 -4.714 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.726 -7.201 -7.679 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.381 -8.579 -7.976 1.00 0.00 C ATOM 1178 C GLY A 79 1.116 -8.817 -7.968 1.00 0.00 C ATOM 1179 O GLY A 79 1.874 -8.024 -7.411 1.00 0.00 O ATOM 0 H GLY A 79 -0.555 -6.543 -8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.854 -9.234 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.783 -8.849 -8.952 1.00 0.00 H new ATOM 1183 N ASN A 80 1.543 -9.913 -8.587 1.00 0.00 N ATOM 1184 CA ASN A 80 2.960 -10.254 -8.647 1.00 0.00 C ATOM 1185 C ASN A 80 3.529 -10.462 -7.247 1.00 0.00 C ATOM 1186 O ASN A 80 4.532 -9.851 -6.875 1.00 0.00 O ATOM 1187 CB ASN A 80 3.741 -9.154 -9.369 1.00 0.00 C ATOM 1188 CG ASN A 80 3.218 -8.897 -10.769 1.00 0.00 C ATOM 1189 OD1 ASN A 80 3.137 -9.811 -11.590 1.00 0.00 O ATOM 1190 ND2 ASN A 80 2.860 -7.649 -11.047 1.00 0.00 N ATOM 0 H ASN A 80 0.928 -10.580 -9.054 1.00 0.00 H new ATOM 0 HA ASN A 80 3.060 -11.186 -9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.686 -8.233 -8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.793 -9.435 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.500 -7.416 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.945 -6.924 -10.335 1.00 0.00 H new ATOM 1197 N LEU A 81 2.882 -11.328 -6.474 1.00 0.00 N ATOM 1198 CA LEU A 81 3.324 -11.617 -5.114 1.00 0.00 C ATOM 1199 C LEU A 81 3.606 -13.106 -4.939 1.00 0.00 C ATOM 1200 O LEU A 81 3.307 -13.914 -5.819 1.00 0.00 O ATOM 1201 CB LEU A 81 2.266 -11.165 -4.106 1.00 0.00 C ATOM 1202 CG LEU A 81 1.779 -9.722 -4.245 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.460 -9.531 -3.513 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.828 -8.753 -3.721 1.00 0.00 C ATOM 0 H LEU A 81 2.050 -11.842 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 81 4.247 -11.067 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.405 -11.828 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.670 -11.296 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 81 1.617 -9.513 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.129 -8.498 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.290 -10.199 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.595 -9.758 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.465 -7.731 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.022 -8.961 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.750 -8.872 -4.291 1.00 0.00 H new ATOM 1216 N LYS A 82 4.181 -13.464 -3.796 1.00 0.00 N ATOM 1217 CA LYS A 82 4.501 -14.855 -3.502 1.00 0.00 C ATOM 1218 C LYS A 82 3.643 -15.381 -2.356 1.00 0.00 C ATOM 1219 O LYS A 82 3.344 -14.670 -1.396 1.00 0.00 O ATOM 1220 CB LYS A 82 5.984 -14.996 -3.149 1.00 0.00 C ATOM 1221 CG LYS A 82 6.355 -16.370 -2.619 1.00 0.00 C ATOM 1222 CD LYS A 82 7.592 -16.312 -1.738 1.00 0.00 C ATOM 1223 CE LYS A 82 7.835 -17.637 -1.032 1.00 0.00 C ATOM 1224 NZ LYS A 82 8.639 -18.572 -1.868 1.00 0.00 N ATOM 0 H LYS A 82 4.435 -12.808 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 82 4.288 -15.446 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.582 -14.784 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.244 -14.245 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.520 -16.779 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.533 -17.047 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.461 -16.057 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.476 -15.520 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.352 -17.457 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.879 -18.099 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.783 -19.463 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.134 -18.764 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.562 -18.142 -2.080 1.00 0.00 H new ATOM 1238 N PRO A 83 3.237 -16.655 -2.456 1.00 0.00 N ATOM 1239 CA PRO A 83 2.408 -17.304 -1.435 1.00 0.00 C ATOM 1240 C PRO A 83 3.171 -17.547 -0.138 1.00 0.00 C ATOM 1241 O PRO A 83 4.383 -17.760 -0.151 1.00 0.00 O ATOM 1242 CB PRO A 83 2.023 -18.636 -2.085 1.00 0.00 C ATOM 1243 CG PRO A 83 3.109 -18.906 -3.069 1.00 0.00 C ATOM 1244 CD PRO A 83 3.555 -17.561 -3.573 1.00 0.00 C ATOM 0 HA PRO A 83 1.554 -16.689 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.953 -19.432 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.052 -18.571 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.935 -19.441 -2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.748 -19.529 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.620 -17.552 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.027 -17.278 -4.483 1.00 0.00 H new ATOM 1252 N GLU A 84 2.454 -17.512 0.981 1.00 0.00 N ATOM 1253 CA GLU A 84 3.065 -17.728 2.287 1.00 0.00 C ATOM 1254 C GLU A 84 4.114 -16.659 2.580 1.00 0.00 C ATOM 1255 O GLU A 84 5.267 -16.970 2.877 1.00 0.00 O ATOM 1256 CB GLU A 84 3.704 -19.116 2.353 1.00 0.00 C ATOM 1257 CG GLU A 84 2.737 -20.247 2.046 1.00 0.00 C ATOM 1258 CD GLU A 84 3.338 -21.615 2.302 1.00 0.00 C ATOM 1259 OE1 GLU A 84 4.440 -21.886 1.780 1.00 0.00 O ATOM 1260 OE2 GLU A 84 2.706 -22.415 3.023 1.00 0.00 O ATOM 0 H GLU A 84 1.450 -17.336 1.009 1.00 0.00 H new ATOM 0 HA GLU A 84 2.281 -17.661 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.535 -19.158 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.122 -19.267 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.841 -20.129 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.426 -20.181 1.004 1.00 0.00 H new ATOM 1267 N ALA A 85 3.705 -15.397 2.494 1.00 0.00 N ATOM 1268 CA ALA A 85 4.608 -14.282 2.750 1.00 0.00 C ATOM 1269 C ALA A 85 3.846 -13.068 3.273 1.00 0.00 C ATOM 1270 O ALA A 85 2.723 -12.799 2.848 1.00 0.00 O ATOM 1271 CB ALA A 85 5.375 -13.922 1.487 1.00 0.00 C ATOM 0 H ALA A 85 2.754 -15.122 2.249 1.00 0.00 H new ATOM 0 HA ALA A 85 5.318 -14.591 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.045 -13.088 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.957 -14.782 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.673 -13.638 0.703 1.00 0.00 H new ATOM 1277 N MET A 86 4.464 -12.341 4.197 1.00 0.00 N ATOM 1278 CA MET A 86 3.844 -11.155 4.777 1.00 0.00 C ATOM 1279 C MET A 86 4.295 -9.894 4.047 1.00 0.00 C ATOM 1280 O MET A 86 5.489 -9.679 3.839 1.00 0.00 O ATOM 1281 CB MET A 86 4.188 -11.048 6.264 1.00 0.00 C ATOM 1282 CG MET A 86 3.740 -9.742 6.899 1.00 0.00 C ATOM 1283 SD MET A 86 3.860 -9.768 8.698 1.00 0.00 S ATOM 1284 CE MET A 86 2.188 -10.231 9.142 1.00 0.00 C ATOM 0 H MET A 86 5.393 -12.552 4.561 1.00 0.00 H new ATOM 0 HA MET A 86 2.764 -11.250 4.668 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.725 -11.879 6.796 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.266 -11.151 6.387 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.348 -8.926 6.510 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.709 -9.537 6.610 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.697 -9.392 9.635 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.634 -10.499 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.215 -11.084 9.820 1.00 0.00 H new ATOM 1294 N TYR A 87 3.332 -9.063 3.661 1.00 0.00 N ATOM 1295 CA TYR A 87 3.631 -7.825 2.952 1.00 0.00 C ATOM 1296 C TYR A 87 2.937 -6.638 3.613 1.00 0.00 C ATOM 1297 O TYR A 87 1.808 -6.751 4.093 1.00 0.00 O ATOM 1298 CB TYR A 87 3.197 -7.933 1.489 1.00 0.00 C ATOM 1299 CG TYR A 87 4.196 -8.654 0.613 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.281 -10.041 0.619 1.00 0.00 C ATOM 1301 CD2 TYR A 87 5.057 -7.949 -0.219 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.192 -10.705 -0.180 1.00 0.00 C ATOM 1303 CE2 TYR A 87 5.971 -8.604 -1.022 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.035 -9.982 -0.998 1.00 0.00 C ATOM 1305 OH TYR A 87 6.945 -10.638 -1.795 1.00 0.00 O ATOM 0 H TYR A 87 2.339 -9.225 3.827 1.00 0.00 H new ATOM 0 HA TYR A 87 4.708 -7.663 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.241 -8.454 1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.035 -6.931 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.623 -10.610 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.011 -6.870 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.244 -11.784 -0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.631 -8.041 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 87 7.461 -9.983 -2.310 1.00 0.00 H new ATOM 1315 N THR A 88 3.620 -5.498 3.634 1.00 0.00 N ATOM 1316 CA THR A 88 3.072 -4.289 4.236 1.00 0.00 C ATOM 1317 C THR A 88 2.562 -3.326 3.170 1.00 0.00 C ATOM 1318 O THR A 88 3.346 -2.740 2.423 1.00 0.00 O ATOM 1319 CB THR A 88 4.121 -3.568 5.104 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.620 -4.457 6.110 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.523 -2.334 5.762 1.00 0.00 C ATOM 0 H THR A 88 4.554 -5.387 3.241 1.00 0.00 H new ATOM 0 HA THR A 88 2.240 -4.600 4.868 1.00 0.00 H new ATOM 0 HB THR A 88 4.941 -3.255 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.287 -3.991 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.282 -1.842 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.171 -1.646 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.686 -2.629 6.395 1.00 0.00 H new ATOM 1329 N PHE A 89 1.245 -3.166 3.106 1.00 0.00 N ATOM 1330 CA PHE A 89 0.630 -2.274 2.130 1.00 0.00 C ATOM 1331 C PHE A 89 0.291 -0.927 2.762 1.00 0.00 C ATOM 1332 O PHE A 89 -0.044 -0.851 3.944 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.635 -2.910 1.550 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.380 -4.206 0.835 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.014 -5.334 1.536 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.535 -4.296 -0.539 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.250 -6.527 0.879 1.00 0.00 C ATOM 1338 CE2 PHE A 89 -0.300 -5.486 -1.201 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.091 -6.604 -0.491 1.00 0.00 C ATOM 0 H PHE A 89 0.583 -3.642 3.718 1.00 0.00 H new ATOM 0 HA PHE A 89 1.346 -2.109 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.348 -3.083 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.101 -2.208 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.138 -5.281 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.843 -3.426 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.559 -7.399 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.422 -5.542 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.272 -7.536 -1.006 1.00 0.00 H new ATOM 1349 N ARG A 90 0.382 0.133 1.966 1.00 0.00 N ATOM 1350 CA ARG A 90 0.087 1.478 2.447 1.00 0.00 C ATOM 1351 C ARG A 90 -0.464 2.349 1.322 1.00 0.00 C ATOM 1352 O ARG A 90 0.096 2.394 0.227 1.00 0.00 O ATOM 1353 CB ARG A 90 1.345 2.119 3.035 1.00 0.00 C ATOM 1354 CG ARG A 90 2.500 2.208 2.051 1.00 0.00 C ATOM 1355 CD ARG A 90 3.634 3.060 2.598 1.00 0.00 C ATOM 1356 NE ARG A 90 4.318 2.411 3.714 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.275 1.503 3.561 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.661 1.139 2.345 1.00 0.00 N ATOM 1359 NH2 ARG A 90 5.850 0.957 4.625 1.00 0.00 N ATOM 0 H ARG A 90 0.658 0.087 0.985 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.671 1.401 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.101 3.121 3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.663 1.544 3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.870 1.207 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.146 2.631 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.351 3.263 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.239 4.022 2.925 1.00 0.00 H new ATOM 0 HE ARG A 90 4.046 2.669 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.222 1.557 1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.396 0.441 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.557 1.235 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.585 0.260 4.506 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.565 3.040 1.601 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.191 3.911 0.613 1.00 0.00 C ATOM 1375 C VAL A 91 -1.875 5.376 0.893 1.00 0.00 C ATOM 1376 O VAL A 91 -1.793 5.795 2.048 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.719 3.723 0.588 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.365 4.720 -0.362 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -4.074 2.296 0.198 1.00 0.00 C ATOM 0 H VAL A 91 -2.042 3.014 2.502 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.782 3.633 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.106 3.909 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.445 4.572 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.139 5.734 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.974 4.569 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.158 2.181 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.675 2.080 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.644 1.603 0.922 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.697 6.151 -0.172 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.392 7.571 -0.042 1.00 0.00 C ATOM 1391 C VAL A 92 -2.108 8.388 -1.111 1.00 0.00 C ATOM 1392 O VAL A 92 -2.171 7.989 -2.273 1.00 0.00 O ATOM 1393 CB VAL A 92 0.123 7.830 -0.142 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.409 9.324 -0.169 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.856 7.159 1.010 1.00 0.00 C ATOM 0 H VAL A 92 -1.759 5.819 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.743 7.881 0.942 1.00 0.00 H new ATOM 0 HB VAL A 92 0.487 7.398 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.484 9.487 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.084 9.773 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.032 9.783 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.925 7.353 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.491 7.559 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.678 6.084 0.978 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.647 9.535 -0.710 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.357 10.410 -1.634 1.00 0.00 C ATOM 1407 C ALA A 93 -2.439 11.502 -2.171 1.00 0.00 C ATOM 1408 O ALA A 93 -1.952 12.344 -1.415 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.570 11.025 -0.952 1.00 0.00 C ATOM 0 H ALA A 93 -2.605 9.880 0.249 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.695 9.809 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.091 11.676 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.243 10.233 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.246 11.607 -0.089 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.206 11.483 -3.478 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.343 12.470 -4.115 1.00 0.00 C ATOM 1417 C TYR A 94 -2.166 13.486 -4.903 1.00 0.00 C ATOM 1418 O TYR A 94 -2.539 13.243 -6.049 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.341 11.781 -5.043 1.00 0.00 C ATOM 1420 CG TYR A 94 0.886 11.260 -4.328 1.00 0.00 C ATOM 1421 CD1 TYR A 94 1.999 12.069 -4.138 1.00 0.00 C ATOM 1422 CD2 TYR A 94 0.932 9.959 -3.843 1.00 0.00 C ATOM 1423 CE1 TYR A 94 3.122 11.597 -3.486 1.00 0.00 C ATOM 1424 CE2 TYR A 94 2.050 9.479 -3.190 1.00 0.00 C ATOM 1425 CZ TYR A 94 3.143 10.302 -3.014 1.00 0.00 C ATOM 1426 OH TYR A 94 4.259 9.828 -2.364 1.00 0.00 O ATOM 0 H TYR A 94 -2.603 10.795 -4.118 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.799 12.998 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.837 10.952 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.030 12.485 -5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.986 13.084 -4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.078 9.312 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.979 12.239 -3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.069 8.465 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 94 4.110 8.898 -2.094 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.443 14.625 -4.277 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.222 15.679 -4.918 1.00 0.00 C ATOM 1438 C ASN A 95 -2.307 16.744 -5.516 1.00 0.00 C ATOM 1439 O ASN A 95 -1.087 16.677 -5.374 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.178 16.320 -3.910 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.454 17.172 -2.886 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -2.280 16.945 -2.593 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -4.152 18.159 -2.337 1.00 0.00 N ATOM 0 H ASN A 95 -2.140 14.842 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.802 15.229 -5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.904 16.935 -4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.738 15.538 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.717 18.766 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.123 18.310 -2.610 1.00 0.00 H new ATOM 1450 N GLU A 96 -2.907 17.724 -6.183 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.146 18.803 -6.802 1.00 0.00 C ATOM 1452 C GLU A 96 -0.979 19.226 -5.914 1.00 0.00 C ATOM 1453 O GLU A 96 0.161 19.315 -6.369 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.053 20.004 -7.078 1.00 0.00 C ATOM 1455 CG GLU A 96 -3.893 19.857 -8.335 1.00 0.00 C ATOM 1456 CD GLU A 96 -3.050 19.734 -9.589 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -2.036 20.456 -9.695 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -3.403 18.917 -10.465 1.00 0.00 O ATOM 0 H GLU A 96 -3.917 17.793 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.746 18.435 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.715 20.152 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.439 20.900 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.529 18.977 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.554 20.719 -8.429 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.274 19.485 -4.645 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.250 19.899 -3.692 1.00 0.00 C ATOM 1467 C TRP A 97 0.783 18.796 -3.490 1.00 0.00 C ATOM 1468 O TRP A 97 1.941 18.938 -3.881 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.890 20.267 -2.353 1.00 0.00 C ATOM 1470 CG TRP A 97 -1.735 21.503 -2.418 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.042 21.623 -2.039 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -1.333 22.792 -2.893 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -3.476 22.910 -2.250 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -2.446 23.647 -2.772 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.140 23.308 -3.406 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -2.399 24.987 -3.147 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -0.095 24.638 -3.778 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -1.219 25.466 -3.647 1.00 0.00 C ATOM 0 H TRP A 97 -2.213 19.416 -4.252 1.00 0.00 H new ATOM 0 HA TRP A 97 0.256 20.775 -4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.504 19.434 -2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.105 20.411 -1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.645 20.824 -1.633 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -4.413 23.260 -2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.731 22.678 -3.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.264 25.626 -3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.822 25.047 -4.177 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.152 26.501 -3.946 1.00 0.00 H new ATOM 1489 N GLY A 98 0.356 17.696 -2.877 1.00 0.00 N ATOM 1490 CA GLY A 98 1.258 16.585 -2.633 1.00 0.00 C ATOM 1491 C GLY A 98 0.634 15.511 -1.764 1.00 0.00 C ATOM 1492 O GLY A 98 -0.574 15.501 -1.524 1.00 0.00 O ATOM 0 H GLY A 98 -0.598 17.554 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.558 16.148 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.164 16.955 -2.153 1.00 0.00 H new ATOM 1496 N PRO A 99 1.467 14.580 -1.277 1.00 0.00 N ATOM 1497 CA PRO A 99 1.012 13.479 -0.423 1.00 0.00 C ATOM 1498 C PRO A 99 0.582 13.958 0.960 1.00 0.00 C ATOM 1499 O PRO A 99 1.404 14.413 1.753 1.00 0.00 O ATOM 1500 CB PRO A 99 2.245 12.579 -0.318 1.00 0.00 C ATOM 1501 CG PRO A 99 3.401 13.490 -0.550 1.00 0.00 C ATOM 1502 CD PRO A 99 2.918 14.530 -1.523 1.00 0.00 C ATOM 0 HA PRO A 99 0.136 12.978 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.306 12.104 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.216 11.780 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.729 13.950 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.254 12.944 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.389 15.497 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.142 14.251 -2.553 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.713 13.850 1.242 1.00 0.00 N ATOM 1511 CA GLY A 100 -1.229 14.276 2.530 1.00 0.00 C ATOM 1512 C GLY A 100 -0.916 13.288 3.635 1.00 0.00 C ATOM 1513 O GLY A 100 0.134 12.646 3.623 1.00 0.00 O ATOM 0 H GLY A 100 -1.413 13.475 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.805 15.247 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.309 14.408 2.460 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.828 13.167 4.595 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.641 12.251 5.714 1.00 0.00 C ATOM 1519 C GLU A 101 -1.623 10.802 5.235 1.00 0.00 C ATOM 1520 O GLU A 101 -2.544 10.351 4.554 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.750 12.444 6.750 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.534 13.642 7.658 1.00 0.00 C ATOM 1523 CD GLU A 101 -2.819 14.960 6.964 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -3.942 15.125 6.442 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -1.920 15.825 6.943 1.00 0.00 O ATOM 0 H GLU A 101 -2.703 13.691 4.620 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.679 12.474 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.703 12.558 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.825 11.545 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.177 13.550 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.505 13.640 8.017 1.00 0.00 H new ATOM 1532 N SER A 102 -0.567 10.079 5.595 1.00 0.00 N ATOM 1533 CA SER A 102 -0.426 8.683 5.199 1.00 0.00 C ATOM 1534 C SER A 102 -1.229 7.772 6.123 1.00 0.00 C ATOM 1535 O SER A 102 -1.226 7.948 7.341 1.00 0.00 O ATOM 1536 CB SER A 102 1.048 8.273 5.214 1.00 0.00 C ATOM 1537 OG SER A 102 1.626 8.496 6.489 1.00 0.00 O ATOM 0 H SER A 102 0.203 10.437 6.160 1.00 0.00 H new ATOM 0 HA SER A 102 -0.815 8.577 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.138 7.219 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.594 8.839 4.459 1.00 0.00 H new ATOM 0 HG SER A 102 2.568 8.225 6.473 1.00 0.00 H new ATOM 1543 N SER A 103 -1.916 6.799 5.533 1.00 0.00 N ATOM 1544 CA SER A 103 -2.727 5.862 6.302 1.00 0.00 C ATOM 1545 C SER A 103 -1.845 4.937 7.136 1.00 0.00 C ATOM 1546 O SER A 103 -0.621 4.956 7.016 1.00 0.00 O ATOM 1547 CB SER A 103 -3.613 5.035 5.367 1.00 0.00 C ATOM 1548 OG SER A 103 -2.898 3.937 4.827 1.00 0.00 O ATOM 0 H SER A 103 -1.927 6.639 4.526 1.00 0.00 H new ATOM 0 HA SER A 103 -3.361 6.437 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.484 4.673 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.982 5.666 4.558 1.00 0.00 H new ATOM 0 HG SER A 103 -3.429 3.518 4.118 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.478 4.129 7.980 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.752 3.197 8.834 1.00 0.00 C ATOM 1556 C GLN A 104 -1.290 1.978 8.042 1.00 0.00 C ATOM 1557 O GLN A 104 -2.054 1.368 7.294 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.631 2.755 10.006 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.841 2.243 11.199 1.00 0.00 C ATOM 1560 CD GLN A 104 -2.707 1.498 12.196 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -3.920 1.379 12.015 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -2.088 0.990 13.255 1.00 0.00 N ATOM 0 H GLN A 104 -3.492 4.101 8.091 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.872 3.710 9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.249 3.595 10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.309 1.972 9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.047 1.583 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.359 3.083 11.699 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.081 1.113 13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.619 0.477 13.959 1.00 0.00 H new ATOM 1571 N PRO A 105 -0.010 1.615 8.207 1.00 0.00 N ATOM 1572 CA PRO A 105 0.583 0.466 7.515 1.00 0.00 C ATOM 1573 C PRO A 105 0.038 -0.863 8.027 1.00 0.00 C ATOM 1574 O PRO A 105 0.128 -1.165 9.217 1.00 0.00 O ATOM 1575 CB PRO A 105 2.075 0.591 7.835 1.00 0.00 C ATOM 1576 CG PRO A 105 2.126 1.350 9.116 1.00 0.00 C ATOM 1577 CD PRO A 105 0.958 2.297 9.082 1.00 0.00 C ATOM 0 HA PRO A 105 0.360 0.473 6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.541 -0.389 7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.607 1.117 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.059 0.678 9.971 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.066 1.893 9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.549 2.466 10.078 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.242 3.271 8.684 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.528 -1.653 7.120 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.086 -2.950 7.481 1.00 0.00 C ATOM 1587 C ILE A 106 -0.253 -4.087 6.899 1.00 0.00 C ATOM 1588 O ILE A 106 0.368 -3.942 5.846 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.540 -3.092 6.993 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.591 -3.088 5.463 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.401 -1.974 7.560 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.857 -3.692 4.899 1.00 0.00 C ATOM 0 H ILE A 106 -0.612 -1.417 6.131 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.069 -3.010 8.569 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.935 -4.044 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.498 -2.062 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.733 -3.638 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.425 -2.088 7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.386 -2.020 8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.009 -1.011 7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.824 -3.655 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.942 -4.729 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.719 -3.128 5.255 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.245 -5.221 7.592 1.00 0.00 N ATOM 1605 CA LYS A 107 0.508 -6.386 7.145 1.00 0.00 C ATOM 1606 C LYS A 107 -0.426 -7.547 6.819 1.00 0.00 C ATOM 1607 O LYS A 107 -1.043 -8.130 7.711 1.00 0.00 O ATOM 1608 CB LYS A 107 1.513 -6.812 8.218 1.00 0.00 C ATOM 1609 CG LYS A 107 2.721 -5.897 8.318 1.00 0.00 C ATOM 1610 CD LYS A 107 3.589 -6.248 9.514 1.00 0.00 C ATOM 1611 CE LYS A 107 5.028 -5.799 9.310 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.774 -5.724 10.597 1.00 0.00 N ATOM 0 H LYS A 107 -0.752 -5.357 8.466 1.00 0.00 H new ATOM 0 HA LYS A 107 1.047 -6.112 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.009 -6.842 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.852 -7.826 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.311 -5.971 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.389 -4.862 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.184 -5.777 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.563 -7.325 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.533 -6.493 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.038 -4.822 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.750 -5.415 10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.307 -5.043 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.786 -6.662 11.046 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.526 -7.879 5.536 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.383 -8.972 5.093 1.00 0.00 C ATOM 1628 C VAL A 108 -0.563 -10.098 4.475 1.00 0.00 C ATOM 1629 O VAL A 108 0.224 -9.875 3.556 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.425 -8.488 4.067 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.366 -9.620 3.686 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.200 -7.300 4.616 1.00 0.00 C ATOM 0 H VAL A 108 -0.024 -7.406 4.785 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.900 -9.346 5.977 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.901 -8.166 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.095 -9.259 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.793 -10.438 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.886 -9.976 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.932 -6.971 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.714 -7.593 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.510 -6.484 4.832 1.00 0.00 H new ATOM 1642 N ALA A 109 -0.753 -11.310 4.986 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.032 -12.473 4.482 1.00 0.00 C ATOM 1644 C ALA A 109 -0.858 -13.224 3.444 1.00 0.00 C ATOM 1645 O ALA A 109 -2.001 -13.605 3.700 1.00 0.00 O ATOM 1646 CB ALA A 109 0.344 -13.399 5.630 1.00 0.00 C ATOM 0 H ALA A 109 -1.400 -11.512 5.748 1.00 0.00 H new ATOM 0 HA ALA A 109 0.880 -12.122 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.882 -14.263 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.980 -12.864 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.560 -13.734 6.138 1.00 0.00 H new ATOM 1652 N THR A 110 -0.274 -13.433 2.268 1.00 0.00 N ATOM 1653 CA THR A 110 -0.957 -14.137 1.190 1.00 0.00 C ATOM 1654 C THR A 110 -1.542 -15.457 1.678 1.00 0.00 C ATOM 1655 O THR A 110 -1.414 -15.806 2.851 1.00 0.00 O ATOM 1656 CB THR A 110 -0.006 -14.415 0.010 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.250 -14.901 0.497 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.216 -13.156 -0.814 1.00 0.00 C ATOM 0 H THR A 110 0.671 -13.125 2.038 1.00 0.00 H new ATOM 0 HA THR A 110 -1.765 -13.488 0.852 1.00 0.00 H new ATOM 0 HB THR A 110 -0.465 -15.171 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.936 -14.783 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.891 -13.377 -1.641 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.738 -12.806 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.655 -12.382 -0.185 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.184 -16.186 0.771 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.789 -17.468 1.111 1.00 0.00 C ATOM 1668 C GLN A 111 -1.834 -18.618 0.808 1.00 0.00 C ATOM 1669 O GLN A 111 -0.976 -18.529 -0.070 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.097 -17.659 0.341 1.00 0.00 C ATOM 1671 CG GLN A 111 -5.064 -16.496 0.487 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.478 -16.857 0.075 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.948 -16.261 -1.015 1.00 0.00 O flip ATOM 1674 NE2 GLN A 111 -7.141 -17.663 0.729 1.00 0.00 N flip ATOM 0 H GLN A 111 -2.299 -15.911 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.002 -17.469 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.870 -17.801 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.583 -18.571 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.067 -16.159 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.715 -15.660 -0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.740 -18.097 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.091 -17.896 0.439 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.984 -19.724 1.552 1.00 0.00 N ATOM 1684 CA PRO A 112 -1.144 -20.913 1.381 1.00 0.00 C ATOM 1685 C PRO A 112 -1.425 -21.638 0.070 1.00 0.00 C ATOM 1686 O PRO A 112 -2.366 -22.426 -0.024 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.528 -21.793 2.572 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.912 -21.369 2.926 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.986 -19.899 2.617 1.00 0.00 C ATOM 0 HA PRO A 112 -0.084 -20.661 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.493 -22.851 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.844 -21.648 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.650 -21.927 2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.121 -21.558 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.982 -19.608 2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.753 -19.292 3.492 1.00 0.00 H new