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 39:sc= 1.14 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.752 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 173:sc= 0.141 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.767 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0566) USER MOD Single : A 47 ASN : amide:sc=-0.00752 X(o=-0.0075,f=-0.01) USER MOD Single : A 49 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 52 THR OG1 : rot 132:sc= 1.04 USER MOD Single : A 56 SER OG : rot 158:sc= 0.83 USER MOD Single : A 61 ASN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.87! C(o=-3.9!,f=-8!) USER MOD Single : A 68 THR OG1 : rot 51:sc= 0.00288 USER MOD Single : A 70 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 73 SER OG : rot -16:sc= -0.815 USER MOD Single : A 75 GLN : amide:sc= -4.02! C(o=-4!,f=-6.6!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.221 K(o=-0.22,f=-3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -149:sc= -0.163 (180deg=-0.967) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00911 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.79! C(o=-2.8!,f=-9.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -89:sc= 1.21 USER MOD Single : A 104 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -171:sc= 0.62 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.796 22.120 3.693 1.00 0.00 N ATOM 179 CA VAL A 16 -4.511 22.089 2.422 1.00 0.00 C ATOM 180 C VAL A 16 -4.317 20.753 1.715 1.00 0.00 C ATOM 181 O VAL A 16 -4.926 20.494 0.676 1.00 0.00 O ATOM 182 CB VAL A 16 -4.048 23.224 1.490 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.397 24.580 2.084 1.00 0.00 C ATOM 184 CG2 VAL A 16 -2.554 23.117 1.224 1.00 0.00 C ATOM 0 HA VAL A 16 -5.568 22.225 2.650 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.572 23.127 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.062 25.369 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.476 24.652 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.903 24.692 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.243 23.927 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.011 23.188 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.336 22.159 0.751 1.00 0.00 H new ATOM 194 N LEU A 17 -3.466 19.906 2.284 1.00 0.00 N ATOM 195 CA LEU A 17 -3.191 18.595 1.708 1.00 0.00 C ATOM 196 C LEU A 17 -4.380 17.658 1.895 1.00 0.00 C ATOM 197 O LEU A 17 -5.195 17.822 2.804 1.00 0.00 O ATOM 198 CB LEU A 17 -1.943 17.986 2.350 1.00 0.00 C ATOM 199 CG LEU A 17 -0.606 18.595 1.926 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.635 18.976 0.454 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.275 19.806 2.786 1.00 0.00 C ATOM 0 H LEU A 17 -2.955 20.104 3.144 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.017 18.724 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.034 18.077 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.924 16.921 2.120 1.00 0.00 H new ATOM 0 HG LEU A 17 0.174 17.847 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.325 19.408 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.825 18.088 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.426 19.706 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.680 20.227 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.057 20.557 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.210 19.503 3.831 1.00 0.00 H new ATOM 213 N PRO A 18 -4.484 16.650 1.016 1.00 0.00 N ATOM 214 CA PRO A 18 -5.569 15.666 1.064 1.00 0.00 C ATOM 215 C PRO A 18 -5.453 14.735 2.266 1.00 0.00 C ATOM 216 O PRO A 18 -4.454 14.034 2.427 1.00 0.00 O ATOM 217 CB PRO A 18 -5.394 14.881 -0.238 1.00 0.00 C ATOM 218 CG PRO A 18 -3.951 15.029 -0.580 1.00 0.00 C ATOM 219 CD PRO A 18 -3.549 16.394 -0.093 1.00 0.00 C ATOM 0 HA PRO A 18 -6.545 16.140 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.664 13.833 -0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.031 15.278 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.355 14.252 -0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.793 14.936 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.512 16.411 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.642 17.144 -0.878 1.00 0.00 H new ATOM 227 N SER A 19 -6.482 14.733 3.108 1.00 0.00 N ATOM 228 CA SER A 19 -6.494 13.890 4.298 1.00 0.00 C ATOM 229 C SER A 19 -6.199 12.437 3.938 1.00 0.00 C ATOM 230 O SER A 19 -6.276 12.047 2.774 1.00 0.00 O ATOM 231 CB SER A 19 -7.848 13.987 5.004 1.00 0.00 C ATOM 232 OG SER A 19 -7.727 13.685 6.383 1.00 0.00 O ATOM 0 H SER A 19 -7.318 15.305 2.988 1.00 0.00 H new ATOM 0 HA SER A 19 -5.714 14.245 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.254 14.991 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.554 13.300 4.539 1.00 0.00 H new ATOM 0 HG SER A 19 -8.605 13.756 6.812 1.00 0.00 H new ATOM 238 N ALA A 20 -5.859 11.641 4.947 1.00 0.00 N ATOM 239 CA ALA A 20 -5.554 10.231 4.738 1.00 0.00 C ATOM 240 C ALA A 20 -6.829 9.414 4.562 1.00 0.00 C ATOM 241 O ALA A 20 -7.891 9.755 5.083 1.00 0.00 O ATOM 242 CB ALA A 20 -4.734 9.691 5.901 1.00 0.00 C ATOM 0 H ALA A 20 -5.788 11.949 5.917 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.968 10.143 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.513 8.637 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.801 10.249 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.300 9.799 6.826 1.00 0.00 H new ATOM 248 N PRO A 21 -6.724 8.308 3.811 1.00 0.00 N ATOM 249 CA PRO A 21 -7.860 7.419 3.549 1.00 0.00 C ATOM 250 C PRO A 21 -8.294 6.650 4.792 1.00 0.00 C ATOM 251 O PRO A 21 -7.492 6.407 5.694 1.00 0.00 O ATOM 252 CB PRO A 21 -7.320 6.457 2.487 1.00 0.00 C ATOM 253 CG PRO A 21 -5.845 6.455 2.693 1.00 0.00 C ATOM 254 CD PRO A 21 -5.490 7.840 3.159 1.00 0.00 C ATOM 0 HA PRO A 21 -8.745 7.972 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.738 5.458 2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.579 6.791 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.555 5.708 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.322 6.208 1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.649 7.827 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.207 8.484 2.326 1.00 0.00 H new ATOM 262 N ARG A 22 -9.567 6.271 4.834 1.00 0.00 N ATOM 263 CA ARG A 22 -10.107 5.531 5.968 1.00 0.00 C ATOM 264 C ARG A 22 -9.389 4.195 6.137 1.00 0.00 C ATOM 265 O ARG A 22 -8.867 3.633 5.173 1.00 0.00 O ATOM 266 CB ARG A 22 -11.607 5.296 5.783 1.00 0.00 C ATOM 267 CG ARG A 22 -12.141 4.114 6.576 1.00 0.00 C ATOM 268 CD ARG A 22 -13.614 4.286 6.910 1.00 0.00 C ATOM 269 NE ARG A 22 -13.863 5.505 7.676 1.00 0.00 N ATOM 270 CZ ARG A 22 -14.993 5.743 8.331 1.00 0.00 C ATOM 271 NH1 ARG A 22 -15.974 4.850 8.314 1.00 0.00 N ATOM 272 NH2 ARG A 22 -15.145 6.875 9.006 1.00 0.00 N ATOM 0 H ARG A 22 -10.244 6.464 4.096 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.947 6.126 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.146 6.195 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.813 5.136 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.002 3.197 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.569 4.004 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.194 4.313 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.960 3.423 7.479 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.128 6.212 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.861 3.978 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.841 5.035 8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.393 7.564 9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.014 7.056 9.509 1.00 0.00 H new ATOM 286 N ASP A 23 -9.366 3.693 7.366 1.00 0.00 N ATOM 287 CA ASP A 23 -8.713 2.423 7.662 1.00 0.00 C ATOM 288 C ASP A 23 -8.808 1.473 6.472 1.00 0.00 C ATOM 289 O ASP A 23 -9.853 0.871 6.227 1.00 0.00 O ATOM 290 CB ASP A 23 -9.342 1.777 8.897 1.00 0.00 C ATOM 291 CG ASP A 23 -9.134 0.275 8.934 1.00 0.00 C ATOM 292 OD1 ASP A 23 -8.097 -0.194 8.420 1.00 0.00 O ATOM 293 OD2 ASP A 23 -10.009 -0.431 9.478 1.00 0.00 O ATOM 0 H ASP A 23 -9.792 4.146 8.174 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.660 2.622 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.913 2.223 9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.410 1.994 8.913 1.00 0.00 H new ATOM 298 N VAL A 24 -7.710 1.345 5.734 1.00 0.00 N ATOM 299 CA VAL A 24 -7.669 0.469 4.569 1.00 0.00 C ATOM 300 C VAL A 24 -7.701 -0.998 4.984 1.00 0.00 C ATOM 301 O VAL A 24 -6.792 -1.485 5.655 1.00 0.00 O ATOM 302 CB VAL A 24 -6.410 0.723 3.719 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.416 -0.157 2.479 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.312 2.193 3.340 1.00 0.00 C ATOM 0 H VAL A 24 -6.837 1.837 5.922 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.553 0.695 3.972 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.533 0.465 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.519 0.037 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.435 -1.205 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.298 0.066 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.417 2.355 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.192 2.480 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.257 2.799 4.244 1.00 0.00 H new ATOM 314 N VAL A 25 -8.756 -1.699 4.579 1.00 0.00 N ATOM 315 CA VAL A 25 -8.907 -3.111 4.906 1.00 0.00 C ATOM 316 C VAL A 25 -8.850 -3.976 3.652 1.00 0.00 C ATOM 317 O VAL A 25 -9.392 -3.627 2.603 1.00 0.00 O ATOM 318 CB VAL A 25 -10.235 -3.378 5.640 1.00 0.00 C ATOM 319 CG1 VAL A 25 -10.148 -2.915 7.087 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.388 -2.695 4.921 1.00 0.00 C ATOM 0 H VAL A 25 -9.519 -1.311 4.024 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.077 -3.374 5.562 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.422 -4.452 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.095 -3.112 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.349 -3.455 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.938 -1.846 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.318 -2.894 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.211 -1.620 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.462 -3.081 3.904 1.00 0.00 H new ATOM 330 N PRO A 26 -8.178 -5.131 3.760 1.00 0.00 N ATOM 331 CA PRO A 26 -8.035 -6.071 2.643 1.00 0.00 C ATOM 332 C PRO A 26 -9.351 -6.755 2.289 1.00 0.00 C ATOM 333 O PRO A 26 -9.624 -7.868 2.739 1.00 0.00 O ATOM 334 CB PRO A 26 -7.024 -7.094 3.168 1.00 0.00 C ATOM 335 CG PRO A 26 -7.162 -7.037 4.650 1.00 0.00 C ATOM 336 CD PRO A 26 -7.507 -5.611 4.980 1.00 0.00 C ATOM 0 HA PRO A 26 -7.720 -5.571 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.238 -8.093 2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.010 -6.845 2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.941 -7.717 4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.236 -7.338 5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.161 -5.547 5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.617 -5.024 5.206 1.00 0.00 H new ATOM 344 N VAL A 27 -10.163 -6.083 1.480 1.00 0.00 N ATOM 345 CA VAL A 27 -11.450 -6.628 1.064 1.00 0.00 C ATOM 346 C VAL A 27 -11.277 -7.964 0.349 1.00 0.00 C ATOM 347 O VAL A 27 -12.213 -8.759 0.260 1.00 0.00 O ATOM 348 CB VAL A 27 -12.197 -5.654 0.134 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.897 -4.573 0.943 1.00 0.00 C ATOM 350 CG2 VAL A 27 -11.238 -5.039 -0.875 1.00 0.00 C ATOM 0 H VAL A 27 -9.953 -5.160 1.099 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.038 -6.778 1.970 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.956 -6.213 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.419 -3.894 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.615 -5.034 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.159 -4.015 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.783 -4.353 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.455 -4.494 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.788 -5.828 -1.477 1.00 0.00 H new ATOM 360 N LEU A 28 -10.073 -8.205 -0.158 1.00 0.00 N ATOM 361 CA LEU A 28 -9.775 -9.446 -0.865 1.00 0.00 C ATOM 362 C LEU A 28 -8.269 -9.663 -0.972 1.00 0.00 C ATOM 363 O LEU A 28 -7.552 -8.845 -1.549 1.00 0.00 O ATOM 364 CB LEU A 28 -10.399 -9.423 -2.261 1.00 0.00 C ATOM 365 CG LEU A 28 -10.747 -10.784 -2.864 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.486 -11.507 -3.312 1.00 0.00 C ATOM 367 CD2 LEU A 28 -11.520 -11.629 -1.861 1.00 0.00 C ATOM 0 H LEU A 28 -9.287 -7.558 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.203 -10.271 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.308 -8.823 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.711 -8.914 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.379 -10.623 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.753 -12.474 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.971 -10.909 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.829 -11.657 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.760 -12.594 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.912 -11.782 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.442 -11.117 -1.588 1.00 0.00 H new ATOM 379 N VAL A 29 -7.796 -10.773 -0.415 1.00 0.00 N ATOM 380 CA VAL A 29 -6.375 -11.101 -0.451 1.00 0.00 C ATOM 381 C VAL A 29 -6.142 -12.464 -1.093 1.00 0.00 C ATOM 382 O VAL A 29 -6.693 -13.472 -0.651 1.00 0.00 O ATOM 383 CB VAL A 29 -5.763 -11.100 0.963 1.00 0.00 C ATOM 384 CG1 VAL A 29 -6.532 -12.040 1.878 1.00 0.00 C ATOM 385 CG2 VAL A 29 -4.292 -11.482 0.906 1.00 0.00 C ATOM 0 H VAL A 29 -8.375 -11.461 0.067 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.887 -10.332 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.837 -10.093 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.085 -12.026 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.571 -11.716 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.492 -13.052 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.875 -11.476 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.191 -12.479 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.754 -10.765 0.287 1.00 0.00 H new ATOM 395 N SER A 30 -5.320 -12.487 -2.137 1.00 0.00 N ATOM 396 CA SER A 30 -5.016 -13.726 -2.843 1.00 0.00 C ATOM 397 C SER A 30 -3.602 -14.202 -2.520 1.00 0.00 C ATOM 398 O SER A 30 -2.901 -13.595 -1.710 1.00 0.00 O ATOM 399 CB SER A 30 -5.168 -13.529 -4.352 1.00 0.00 C ATOM 400 OG SER A 30 -5.305 -14.773 -5.018 1.00 0.00 O ATOM 0 H SER A 30 -4.853 -11.662 -2.513 1.00 0.00 H new ATOM 0 HA SER A 30 -5.722 -14.487 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.040 -12.907 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.300 -12.998 -4.742 1.00 0.00 H new ATOM 0 HG SER A 30 -5.509 -14.617 -5.964 1.00 0.00 H new ATOM 406 N SER A 31 -3.191 -15.291 -3.161 1.00 0.00 N ATOM 407 CA SER A 31 -1.863 -15.852 -2.940 1.00 0.00 C ATOM 408 C SER A 31 -0.818 -15.117 -3.775 1.00 0.00 C ATOM 409 O SER A 31 0.352 -15.041 -3.398 1.00 0.00 O ATOM 410 CB SER A 31 -1.851 -17.342 -3.285 1.00 0.00 C ATOM 411 OG SER A 31 -2.095 -17.548 -4.666 1.00 0.00 O ATOM 0 H SER A 31 -3.758 -15.802 -3.837 1.00 0.00 H new ATOM 0 HA SER A 31 -1.614 -15.729 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.887 -17.773 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.608 -17.861 -2.697 1.00 0.00 H new ATOM 0 HG SER A 31 -2.080 -18.508 -4.861 1.00 0.00 H new ATOM 417 N ARG A 32 -1.249 -14.578 -4.910 1.00 0.00 N ATOM 418 CA ARG A 32 -0.351 -13.851 -5.800 1.00 0.00 C ATOM 419 C ARG A 32 -0.601 -12.348 -5.714 1.00 0.00 C ATOM 420 O ARG A 32 0.337 -11.550 -5.728 1.00 0.00 O ATOM 421 CB ARG A 32 -0.532 -14.327 -7.242 1.00 0.00 C ATOM 422 CG ARG A 32 0.647 -13.999 -8.144 1.00 0.00 C ATOM 423 CD ARG A 32 1.712 -15.082 -8.085 1.00 0.00 C ATOM 424 NE ARG A 32 1.386 -16.218 -8.944 1.00 0.00 N ATOM 425 CZ ARG A 32 1.422 -16.169 -10.271 1.00 0.00 C ATOM 426 NH1 ARG A 32 1.768 -15.048 -10.887 1.00 0.00 N ATOM 427 NH2 ARG A 32 1.112 -17.245 -10.983 1.00 0.00 N ATOM 0 H ARG A 32 -2.214 -14.631 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 32 0.673 -14.051 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.690 -15.405 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.432 -13.873 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.300 -13.884 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.080 -13.044 -7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.672 -14.663 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.823 -15.425 -7.057 1.00 0.00 H new ATOM 0 HE ARG A 32 1.116 -17.096 -8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.008 -14.220 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.795 -15.013 -11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.846 -18.109 -10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.140 -17.208 -12.002 1.00 0.00 H new ATOM 441 N PHE A 33 -1.872 -11.969 -5.625 1.00 0.00 N ATOM 442 CA PHE A 33 -2.245 -10.562 -5.538 1.00 0.00 C ATOM 443 C PHE A 33 -3.036 -10.287 -4.263 1.00 0.00 C ATOM 444 O PHE A 33 -3.421 -11.211 -3.546 1.00 0.00 O ATOM 445 CB PHE A 33 -3.071 -10.155 -6.761 1.00 0.00 C ATOM 446 CG PHE A 33 -4.436 -10.780 -6.798 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.507 -10.176 -6.159 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.648 -11.973 -7.471 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.764 -10.750 -6.191 1.00 0.00 C ATOM 450 CE2 PHE A 33 -5.903 -12.551 -7.506 1.00 0.00 C ATOM 451 CZ PHE A 33 -6.963 -11.938 -6.866 1.00 0.00 C ATOM 0 H PHE A 33 -2.660 -12.616 -5.611 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.330 -9.970 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.177 -9.070 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.528 -10.433 -7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.358 -9.246 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.823 -12.456 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.590 -10.269 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.055 -13.481 -8.033 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.945 -12.387 -6.894 1.00 0.00 H new ATOM 461 N VAL A 34 -3.274 -9.009 -3.985 1.00 0.00 N ATOM 462 CA VAL A 34 -4.019 -8.610 -2.797 1.00 0.00 C ATOM 463 C VAL A 34 -4.724 -7.276 -3.012 1.00 0.00 C ATOM 464 O VAL A 34 -4.082 -6.229 -3.093 1.00 0.00 O ATOM 465 CB VAL A 34 -3.097 -8.499 -1.568 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.879 -8.018 -0.355 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.425 -9.834 -1.284 1.00 0.00 C ATOM 0 H VAL A 34 -2.961 -8.232 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.763 -9.385 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.320 -7.765 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.211 -7.946 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.308 -7.038 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.679 -8.725 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.777 -9.737 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.186 -10.590 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.830 -10.133 -2.147 1.00 0.00 H new ATOM 477 N ARG A 35 -6.049 -7.321 -3.102 1.00 0.00 N ATOM 478 CA ARG A 35 -6.842 -6.115 -3.308 1.00 0.00 C ATOM 479 C ARG A 35 -7.108 -5.406 -1.984 1.00 0.00 C ATOM 480 O ARG A 35 -7.274 -6.048 -0.946 1.00 0.00 O ATOM 481 CB ARG A 35 -8.168 -6.461 -3.989 1.00 0.00 C ATOM 482 CG ARG A 35 -9.024 -5.247 -4.309 1.00 0.00 C ATOM 483 CD ARG A 35 -10.475 -5.635 -4.547 1.00 0.00 C ATOM 484 NE ARG A 35 -11.177 -4.652 -5.368 1.00 0.00 N ATOM 485 CZ ARG A 35 -12.498 -4.613 -5.500 1.00 0.00 C ATOM 486 NH1 ARG A 35 -13.257 -5.497 -4.867 1.00 0.00 N ATOM 487 NH2 ARG A 35 -13.063 -3.689 -6.266 1.00 0.00 N ATOM 0 H ARG A 35 -6.596 -8.179 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.275 -5.443 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.962 -7.003 -4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.733 -7.134 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.967 -4.534 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.631 -4.746 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.514 -6.609 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.985 -5.737 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.622 -3.957 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.827 -6.209 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.271 -5.465 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.483 -3.007 -6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.078 -3.660 -6.366 1.00 0.00 H new ATOM 501 N LEU A 36 -7.148 -4.079 -2.027 1.00 0.00 N ATOM 502 CA LEU A 36 -7.393 -3.282 -0.830 1.00 0.00 C ATOM 503 C LEU A 36 -8.365 -2.144 -1.124 1.00 0.00 C ATOM 504 O LEU A 36 -8.186 -1.393 -2.083 1.00 0.00 O ATOM 505 CB LEU A 36 -6.078 -2.718 -0.290 1.00 0.00 C ATOM 506 CG LEU A 36 -4.893 -3.685 -0.264 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.585 -2.931 -0.441 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.882 -4.480 1.034 1.00 0.00 C ATOM 0 H LEU A 36 -7.014 -3.532 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.839 -3.931 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.802 -1.853 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.250 -2.358 0.724 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.000 -4.384 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.753 -3.635 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.593 -2.408 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.469 -2.209 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.032 -5.163 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.799 -3.796 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.807 -5.051 1.119 1.00 0.00 H new ATOM 520 N SER A 37 -9.393 -2.020 -0.290 1.00 0.00 N ATOM 521 CA SER A 37 -10.395 -0.974 -0.461 1.00 0.00 C ATOM 522 C SER A 37 -10.367 0.001 0.711 1.00 0.00 C ATOM 523 O SER A 37 -10.305 -0.407 1.871 1.00 0.00 O ATOM 524 CB SER A 37 -11.789 -1.590 -0.595 1.00 0.00 C ATOM 525 OG SER A 37 -12.740 -0.617 -0.992 1.00 0.00 O ATOM 0 H SER A 37 -9.554 -2.631 0.511 1.00 0.00 H new ATOM 0 HA SER A 37 -10.160 -0.425 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.764 -2.398 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.089 -2.029 0.356 1.00 0.00 H new ATOM 0 HG SER A 37 -13.622 -1.036 -1.072 1.00 0.00 H new ATOM 531 N TRP A 38 -10.414 1.292 0.401 1.00 0.00 N ATOM 532 CA TRP A 38 -10.395 2.326 1.428 1.00 0.00 C ATOM 533 C TRP A 38 -11.292 3.496 1.040 1.00 0.00 C ATOM 534 O TRP A 38 -11.548 3.728 -0.142 1.00 0.00 O ATOM 535 CB TRP A 38 -8.965 2.818 1.659 1.00 0.00 C ATOM 536 CG TRP A 38 -8.316 3.359 0.421 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.335 4.652 -0.017 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.553 2.619 -0.539 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.630 4.761 -1.191 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.140 3.528 -1.532 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.178 1.278 -0.656 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.372 3.138 -2.626 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.416 0.892 -1.742 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.019 1.818 -2.715 1.00 0.00 C ATOM 0 H TRP A 38 -10.466 1.647 -0.554 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.776 1.892 2.352 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.975 3.594 2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.363 1.996 2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.831 5.469 0.486 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.493 5.621 -1.723 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.478 0.556 0.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.066 3.851 -3.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.121 -0.142 -1.842 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.423 1.484 -3.552 1.00 0.00 H new ATOM 555 N ARG A 39 -11.766 4.231 2.041 1.00 0.00 N ATOM 556 CA ARG A 39 -12.635 5.377 1.802 1.00 0.00 C ATOM 557 C ARG A 39 -11.825 6.589 1.349 1.00 0.00 C ATOM 558 O ARG A 39 -10.772 6.905 1.903 1.00 0.00 O ATOM 559 CB ARG A 39 -13.421 5.720 3.069 1.00 0.00 C ATOM 560 CG ARG A 39 -14.789 6.321 2.793 1.00 0.00 C ATOM 561 CD ARG A 39 -14.715 7.833 2.647 1.00 0.00 C ATOM 562 NE ARG A 39 -16.024 8.421 2.376 1.00 0.00 N ATOM 563 CZ ARG A 39 -16.905 8.722 3.323 1.00 0.00 C ATOM 564 NH1 ARG A 39 -16.619 8.491 4.597 1.00 0.00 N ATOM 565 NH2 ARG A 39 -18.076 9.255 2.997 1.00 0.00 N ATOM 0 H ARG A 39 -11.563 4.053 3.025 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.334 5.112 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.544 4.816 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.840 6.421 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.201 5.886 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.470 6.066 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.305 8.266 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.029 8.086 1.838 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.275 8.611 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.720 8.081 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.298 8.723 5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -18.300 9.434 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.752 9.486 3.725 1.00 0.00 H new ATOM 579 N PRO A 40 -12.327 7.283 0.317 1.00 0.00 N ATOM 580 CA PRO A 40 -11.666 8.471 -0.233 1.00 0.00 C ATOM 581 C PRO A 40 -11.722 9.659 0.720 1.00 0.00 C ATOM 582 O PRO A 40 -12.580 9.741 1.599 1.00 0.00 O ATOM 583 CB PRO A 40 -12.469 8.766 -1.503 1.00 0.00 C ATOM 584 CG PRO A 40 -13.813 8.177 -1.247 1.00 0.00 C ATOM 585 CD PRO A 40 -13.577 6.963 -0.392 1.00 0.00 C ATOM 0 HA PRO A 40 -10.604 8.301 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.536 9.838 -1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.001 8.319 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.462 8.891 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.305 7.907 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.401 6.794 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.477 6.060 -0.995 1.00 0.00 H new ATOM 593 N PRO A 41 -10.786 10.604 0.545 1.00 0.00 N ATOM 594 CA PRO A 41 -10.708 11.806 1.380 1.00 0.00 C ATOM 595 C PRO A 41 -11.865 12.766 1.124 1.00 0.00 C ATOM 596 O PRO A 41 -12.345 12.888 -0.003 1.00 0.00 O ATOM 597 CB PRO A 41 -9.381 12.444 0.961 1.00 0.00 C ATOM 598 CG PRO A 41 -9.148 11.956 -0.427 1.00 0.00 C ATOM 599 CD PRO A 41 -9.732 10.572 -0.483 1.00 0.00 C ATOM 0 HA PRO A 41 -10.766 11.568 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.437 13.532 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.571 12.146 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.625 12.611 -1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.084 11.940 -0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.139 10.347 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.983 9.811 -0.266 1.00 0.00 H new ATOM 607 N ALA A 42 -12.308 13.446 2.177 1.00 0.00 N ATOM 608 CA ALA A 42 -13.407 14.396 2.065 1.00 0.00 C ATOM 609 C ALA A 42 -12.890 15.800 1.764 1.00 0.00 C ATOM 610 O ALA A 42 -13.562 16.589 1.102 1.00 0.00 O ATOM 611 CB ALA A 42 -14.235 14.399 3.341 1.00 0.00 C ATOM 0 H ALA A 42 -11.922 13.356 3.117 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.041 14.084 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.052 15.113 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.643 13.403 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.604 14.683 4.183 1.00 0.00 H new ATOM 617 N GLU A 43 -11.693 16.102 2.257 1.00 0.00 N ATOM 618 CA GLU A 43 -11.088 17.412 2.042 1.00 0.00 C ATOM 619 C GLU A 43 -9.900 17.312 1.090 1.00 0.00 C ATOM 620 O GLU A 43 -8.746 17.308 1.519 1.00 0.00 O ATOM 621 CB GLU A 43 -10.640 18.016 3.374 1.00 0.00 C ATOM 622 CG GLU A 43 -11.791 18.484 4.248 1.00 0.00 C ATOM 623 CD GLU A 43 -11.322 19.062 5.570 1.00 0.00 C ATOM 624 OE1 GLU A 43 -10.286 18.594 6.087 1.00 0.00 O ATOM 625 OE2 GLU A 43 -11.991 19.981 6.086 1.00 0.00 O ATOM 0 H GLU A 43 -11.124 15.459 2.807 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.838 18.062 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.057 17.275 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.979 18.860 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.368 19.237 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.461 17.646 4.439 1.00 0.00 H new ATOM 632 N ALA A 44 -10.191 17.232 -0.204 1.00 0.00 N ATOM 633 CA ALA A 44 -9.147 17.134 -1.217 1.00 0.00 C ATOM 634 C ALA A 44 -8.638 18.515 -1.616 1.00 0.00 C ATOM 635 O ALA A 44 -7.459 18.688 -1.925 1.00 0.00 O ATOM 636 CB ALA A 44 -9.665 16.387 -2.438 1.00 0.00 C ATOM 0 H ALA A 44 -11.141 17.233 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.312 16.577 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.875 16.321 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.973 15.383 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.518 16.921 -2.857 1.00 0.00 H new ATOM 642 N LYS A 45 -9.534 19.496 -1.609 1.00 0.00 N ATOM 643 CA LYS A 45 -9.177 20.862 -1.970 1.00 0.00 C ATOM 644 C LYS A 45 -8.506 20.906 -3.339 1.00 0.00 C ATOM 645 O LYS A 45 -7.433 21.485 -3.497 1.00 0.00 O ATOM 646 CB LYS A 45 -8.245 21.463 -0.915 1.00 0.00 C ATOM 647 CG LYS A 45 -8.975 22.221 0.180 1.00 0.00 C ATOM 648 CD LYS A 45 -9.391 21.300 1.314 1.00 0.00 C ATOM 649 CE LYS A 45 -10.800 20.766 1.110 1.00 0.00 C ATOM 650 NZ LYS A 45 -11.832 21.804 1.382 1.00 0.00 N ATOM 0 H LYS A 45 -10.514 19.370 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.094 21.450 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.658 20.663 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.542 22.137 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.331 23.010 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.857 22.706 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.691 20.467 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.339 21.839 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.907 20.407 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.963 19.911 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.770 21.357 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.623 22.272 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.825 22.509 0.618 1.00 0.00 H new ATOM 664 N GLY A 46 -9.148 20.290 -4.328 1.00 0.00 N ATOM 665 CA GLY A 46 -8.599 20.272 -5.671 1.00 0.00 C ATOM 666 C GLY A 46 -9.006 19.035 -6.447 1.00 0.00 C ATOM 667 O GLY A 46 -10.152 18.595 -6.371 1.00 0.00 O ATOM 0 H GLY A 46 -10.038 19.803 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.932 21.160 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.511 20.321 -5.616 1.00 0.00 H new ATOM 671 N ASN A 47 -8.064 18.473 -7.197 1.00 0.00 N ATOM 672 CA ASN A 47 -8.331 17.280 -7.992 1.00 0.00 C ATOM 673 C ASN A 47 -7.259 16.219 -7.758 1.00 0.00 C ATOM 674 O ASN A 47 -6.064 16.498 -7.851 1.00 0.00 O ATOM 675 CB ASN A 47 -8.394 17.636 -9.479 1.00 0.00 C ATOM 676 CG ASN A 47 -9.313 18.812 -9.753 1.00 0.00 C ATOM 677 OD1 ASN A 47 -8.888 19.967 -9.716 1.00 0.00 O ATOM 678 ND2 ASN A 47 -10.579 18.522 -10.028 1.00 0.00 N ATOM 0 H ASN A 47 -7.109 18.824 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.294 16.875 -7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.391 17.871 -9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.739 16.769 -10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.244 19.271 -10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.887 17.550 -10.048 1.00 0.00 H new ATOM 685 N ILE A 48 -7.697 15.001 -7.454 1.00 0.00 N ATOM 686 CA ILE A 48 -6.776 13.899 -7.208 1.00 0.00 C ATOM 687 C ILE A 48 -6.510 13.109 -8.485 1.00 0.00 C ATOM 688 O ILE A 48 -7.433 12.802 -9.239 1.00 0.00 O ATOM 689 CB ILE A 48 -7.318 12.942 -6.130 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.509 13.686 -4.806 1.00 0.00 C ATOM 691 CG2 ILE A 48 -6.378 11.760 -5.949 1.00 0.00 C ATOM 692 CD1 ILE A 48 -8.215 12.866 -3.749 1.00 0.00 C ATOM 0 H ILE A 48 -8.683 14.753 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.844 14.340 -6.855 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.287 12.563 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.534 13.992 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.079 14.597 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.775 11.093 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.288 11.219 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.396 12.120 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.316 13.456 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.204 12.582 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.635 11.968 -3.537 1.00 0.00 H new ATOM 704 N GLN A 49 -5.244 12.783 -8.720 1.00 0.00 N ATOM 705 CA GLN A 49 -4.857 12.027 -9.906 1.00 0.00 C ATOM 706 C GLN A 49 -5.023 10.529 -9.675 1.00 0.00 C ATOM 707 O GLN A 49 -5.702 9.843 -10.440 1.00 0.00 O ATOM 708 CB GLN A 49 -3.409 12.340 -10.286 1.00 0.00 C ATOM 709 CG GLN A 49 -3.209 13.750 -10.815 1.00 0.00 C ATOM 710 CD GLN A 49 -4.031 14.029 -12.059 1.00 0.00 C ATOM 711 OE1 GLN A 49 -3.769 13.474 -13.126 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.031 14.892 -11.926 1.00 0.00 N ATOM 0 H GLN A 49 -4.468 13.030 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.512 12.324 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.774 12.196 -9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.079 11.627 -11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.477 14.467 -10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.153 13.903 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.211 15.328 -11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.619 15.119 -12.728 1.00 0.00 H new ATOM 721 N THR A 50 -4.398 10.026 -8.615 1.00 0.00 N ATOM 722 CA THR A 50 -4.475 8.609 -8.284 1.00 0.00 C ATOM 723 C THR A 50 -4.001 8.350 -6.858 1.00 0.00 C ATOM 724 O THR A 50 -3.645 9.280 -6.134 1.00 0.00 O ATOM 725 CB THR A 50 -3.634 7.758 -9.255 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.989 6.377 -9.130 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.148 7.932 -8.978 1.00 0.00 C ATOM 0 H THR A 50 -3.833 10.579 -7.971 1.00 0.00 H new ATOM 0 HA THR A 50 -5.522 8.321 -8.374 1.00 0.00 H new ATOM 0 HB THR A 50 -3.840 8.095 -10.271 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.957 6.299 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.574 7.322 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.875 8.980 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.929 7.619 -7.957 1.00 0.00 H new ATOM 735 N PHE A 51 -3.997 7.082 -6.461 1.00 0.00 N ATOM 736 CA PHE A 51 -3.567 6.702 -5.121 1.00 0.00 C ATOM 737 C PHE A 51 -2.313 5.834 -5.179 1.00 0.00 C ATOM 738 O PHE A 51 -2.276 4.822 -5.880 1.00 0.00 O ATOM 739 CB PHE A 51 -4.687 5.953 -4.396 1.00 0.00 C ATOM 740 CG PHE A 51 -5.757 6.855 -3.852 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.784 7.304 -4.668 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.738 7.255 -2.526 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.769 8.135 -4.170 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.721 8.085 -2.022 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.739 8.525 -2.846 1.00 0.00 C ATOM 0 H PHE A 51 -4.287 6.300 -7.048 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.333 7.612 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.140 5.239 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.257 5.377 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.814 7.001 -5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.945 6.914 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.563 8.480 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.694 8.389 -0.986 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.510 9.173 -2.455 1.00 0.00 H new ATOM 755 N THR A 52 -1.286 6.237 -4.436 1.00 0.00 N ATOM 756 CA THR A 52 -0.030 5.499 -4.404 1.00 0.00 C ATOM 757 C THR A 52 -0.066 4.401 -3.347 1.00 0.00 C ATOM 758 O THR A 52 -0.335 4.662 -2.174 1.00 0.00 O ATOM 759 CB THR A 52 1.162 6.431 -4.119 1.00 0.00 C ATOM 760 OG1 THR A 52 1.080 7.598 -4.946 1.00 0.00 O ATOM 761 CG2 THR A 52 2.481 5.716 -4.372 1.00 0.00 C ATOM 0 H THR A 52 -1.300 7.071 -3.849 1.00 0.00 H new ATOM 0 HA THR A 52 0.098 5.049 -5.388 1.00 0.00 H new ATOM 0 HB THR A 52 1.122 6.725 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.217 8.398 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.308 6.394 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.553 4.845 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.527 5.396 -5.413 1.00 0.00 H new ATOM 769 N VAL A 53 0.209 3.170 -3.769 1.00 0.00 N ATOM 770 CA VAL A 53 0.210 2.032 -2.857 1.00 0.00 C ATOM 771 C VAL A 53 1.568 1.340 -2.844 1.00 0.00 C ATOM 772 O VAL A 53 2.074 0.922 -3.886 1.00 0.00 O ATOM 773 CB VAL A 53 -0.873 1.006 -3.239 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.767 -0.234 -2.364 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.257 1.628 -3.131 1.00 0.00 C ATOM 0 H VAL A 53 0.434 2.936 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.005 2.423 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.714 0.705 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.540 -0.947 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.214 -0.690 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.899 0.046 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.010 0.889 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.428 1.959 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.325 2.482 -3.804 1.00 0.00 H new ATOM 785 N PHE A 54 2.155 1.222 -1.658 1.00 0.00 N ATOM 786 CA PHE A 54 3.456 0.581 -1.509 1.00 0.00 C ATOM 787 C PHE A 54 3.298 -0.903 -1.193 1.00 0.00 C ATOM 788 O PHE A 54 2.223 -1.354 -0.794 1.00 0.00 O ATOM 789 CB PHE A 54 4.262 1.266 -0.403 1.00 0.00 C ATOM 790 CG PHE A 54 4.439 2.742 -0.617 1.00 0.00 C ATOM 791 CD1 PHE A 54 3.369 3.610 -0.470 1.00 0.00 C ATOM 792 CD2 PHE A 54 5.675 3.262 -0.964 1.00 0.00 C ATOM 793 CE1 PHE A 54 3.528 4.968 -0.667 1.00 0.00 C ATOM 794 CE2 PHE A 54 5.841 4.620 -1.162 1.00 0.00 C ATOM 795 CZ PHE A 54 4.766 5.474 -1.013 1.00 0.00 C ATOM 0 H PHE A 54 1.750 1.562 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 54 3.991 0.679 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.764 1.103 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.243 0.796 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.399 3.220 -0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.519 2.599 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.685 5.633 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.810 5.013 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.893 6.535 -1.167 1.00 0.00 H new ATOM 805 N PHE A 55 4.376 -1.659 -1.374 1.00 0.00 N ATOM 806 CA PHE A 55 4.357 -3.093 -1.110 1.00 0.00 C ATOM 807 C PHE A 55 5.765 -3.678 -1.184 1.00 0.00 C ATOM 808 O PHE A 55 6.491 -3.457 -2.153 1.00 0.00 O ATOM 809 CB PHE A 55 3.444 -3.805 -2.111 1.00 0.00 C ATOM 810 CG PHE A 55 3.787 -3.518 -3.545 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.488 -2.289 -4.109 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.407 -4.478 -4.328 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.801 -2.022 -5.429 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.723 -4.217 -5.648 1.00 0.00 C ATOM 815 CZ PHE A 55 4.421 -2.987 -6.199 1.00 0.00 C ATOM 0 H PHE A 55 5.273 -1.302 -1.702 1.00 0.00 H new ATOM 0 HA PHE A 55 3.971 -3.247 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.500 -4.880 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.412 -3.506 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.005 -1.531 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.646 -5.441 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.561 -1.060 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.206 -4.974 -6.248 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.669 -2.780 -7.230 1.00 0.00 H new ATOM 825 N SER A 56 6.144 -4.424 -0.151 1.00 0.00 N ATOM 826 CA SER A 56 7.466 -5.037 -0.096 1.00 0.00 C ATOM 827 C SER A 56 7.455 -6.271 0.802 1.00 0.00 C ATOM 828 O SER A 56 6.498 -6.507 1.540 1.00 0.00 O ATOM 829 CB SER A 56 8.497 -4.030 0.415 1.00 0.00 C ATOM 830 OG SER A 56 9.811 -4.553 0.320 1.00 0.00 O ATOM 0 H SER A 56 5.555 -4.618 0.659 1.00 0.00 H new ATOM 0 HA SER A 56 7.739 -5.345 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.427 -3.108 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.278 -3.775 1.452 1.00 0.00 H new ATOM 0 HG SER A 56 10.456 -3.816 0.308 1.00 0.00 H new ATOM 836 N ARG A 57 8.526 -7.054 0.734 1.00 0.00 N ATOM 837 CA ARG A 57 8.641 -8.264 1.539 1.00 0.00 C ATOM 838 C ARG A 57 9.319 -7.968 2.873 1.00 0.00 C ATOM 839 O ARG A 57 10.432 -7.443 2.910 1.00 0.00 O ATOM 840 CB ARG A 57 9.428 -9.334 0.780 1.00 0.00 C ATOM 841 CG ARG A 57 9.048 -10.756 1.162 1.00 0.00 C ATOM 842 CD ARG A 57 10.196 -11.723 0.920 1.00 0.00 C ATOM 843 NE ARG A 57 10.309 -12.095 -0.488 1.00 0.00 N ATOM 844 CZ ARG A 57 11.149 -13.021 -0.938 1.00 0.00 C ATOM 845 NH1 ARG A 57 11.944 -13.666 -0.095 1.00 0.00 N ATOM 846 NH2 ARG A 57 11.195 -13.304 -2.234 1.00 0.00 N ATOM 0 H ARG A 57 9.327 -6.872 0.129 1.00 0.00 H new ATOM 0 HA ARG A 57 7.635 -8.635 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.269 -9.199 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.492 -9.189 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.760 -10.787 2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.179 -11.069 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.130 -11.268 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.048 -12.620 1.521 1.00 0.00 H new ATOM 0 HE ARG A 57 9.711 -11.618 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.912 -13.452 0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.588 -14.376 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.585 -12.810 -2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.840 -14.015 -2.578 1.00 0.00 H new ATOM 860 N GLU A 58 8.641 -8.307 3.965 1.00 0.00 N ATOM 861 CA GLU A 58 9.179 -8.076 5.300 1.00 0.00 C ATOM 862 C GLU A 58 10.680 -8.346 5.337 1.00 0.00 C ATOM 863 O GLU A 58 11.132 -9.445 5.016 1.00 0.00 O ATOM 864 CB GLU A 58 8.465 -8.962 6.322 1.00 0.00 C ATOM 865 CG GLU A 58 9.153 -10.296 6.557 1.00 0.00 C ATOM 866 CD GLU A 58 10.411 -10.164 7.393 1.00 0.00 C ATOM 867 OE1 GLU A 58 10.482 -9.225 8.214 1.00 0.00 O ATOM 868 OE2 GLU A 58 11.325 -10.998 7.227 1.00 0.00 O ATOM 0 H GLU A 58 7.719 -8.742 3.951 1.00 0.00 H new ATOM 0 HA GLU A 58 9.010 -7.030 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.396 -8.427 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.445 -9.144 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.460 -10.975 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.405 -10.745 5.596 1.00 0.00 H new ATOM 875 N GLY A 59 11.449 -7.335 5.730 1.00 0.00 N ATOM 876 CA GLY A 59 12.890 -7.483 5.801 1.00 0.00 C ATOM 877 C GLY A 59 13.619 -6.487 4.920 1.00 0.00 C ATOM 878 O GLY A 59 14.705 -6.020 5.266 1.00 0.00 O ATOM 0 H GLY A 59 11.099 -6.416 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.215 -7.356 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.163 -8.495 5.503 1.00 0.00 H new ATOM 882 N ASP A 60 13.023 -6.163 3.778 1.00 0.00 N ATOM 883 CA ASP A 60 13.623 -5.216 2.845 1.00 0.00 C ATOM 884 C ASP A 60 13.527 -3.791 3.379 1.00 0.00 C ATOM 885 O ASP A 60 12.533 -3.416 4.000 1.00 0.00 O ATOM 886 CB ASP A 60 12.939 -5.310 1.480 1.00 0.00 C ATOM 887 CG ASP A 60 13.844 -4.870 0.347 1.00 0.00 C ATOM 888 OD1 ASP A 60 15.020 -4.551 0.618 1.00 0.00 O ATOM 889 OD2 ASP A 60 13.376 -4.844 -0.811 1.00 0.00 O ATOM 0 H ASP A 60 12.125 -6.542 3.476 1.00 0.00 H new ATOM 0 HA ASP A 60 14.677 -5.472 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.619 -6.338 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.041 -4.693 1.484 1.00 0.00 H new ATOM 894 N ASN A 61 14.567 -3.001 3.134 1.00 0.00 N ATOM 895 CA ASN A 61 14.601 -1.617 3.592 1.00 0.00 C ATOM 896 C ASN A 61 14.098 -0.672 2.505 1.00 0.00 C ATOM 897 O ASN A 61 14.463 0.504 2.473 1.00 0.00 O ATOM 898 CB ASN A 61 16.022 -1.228 4.004 1.00 0.00 C ATOM 899 CG ASN A 61 16.302 -1.523 5.465 1.00 0.00 C ATOM 900 OD1 ASN A 61 17.124 -2.380 5.791 1.00 0.00 O ATOM 901 ND2 ASN A 61 15.616 -0.813 6.354 1.00 0.00 N ATOM 0 H ASN A 61 15.398 -3.296 2.621 1.00 0.00 H new ATOM 0 HA ASN A 61 13.943 -1.531 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.738 -1.768 3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 61 16.174 -0.165 3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.761 -0.968 7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.945 -0.113 6.039 1.00 0.00 H new ATOM 908 N ARG A 62 13.258 -1.193 1.617 1.00 0.00 N ATOM 909 CA ARG A 62 12.706 -0.397 0.528 1.00 0.00 C ATOM 910 C ARG A 62 11.284 -0.840 0.197 1.00 0.00 C ATOM 911 O ARG A 62 10.953 -2.021 0.297 1.00 0.00 O ATOM 912 CB ARG A 62 13.589 -0.512 -0.715 1.00 0.00 C ATOM 913 CG ARG A 62 13.587 -1.898 -1.338 1.00 0.00 C ATOM 914 CD ARG A 62 14.588 -1.998 -2.479 1.00 0.00 C ATOM 915 NE ARG A 62 15.966 -2.014 -1.998 1.00 0.00 N ATOM 916 CZ ARG A 62 16.979 -2.528 -2.687 1.00 0.00 C ATOM 917 NH1 ARG A 62 16.768 -3.064 -3.882 1.00 0.00 N ATOM 918 NH2 ARG A 62 18.206 -2.505 -2.183 1.00 0.00 N ATOM 0 H ARG A 62 12.945 -2.164 1.630 1.00 0.00 H new ATOM 0 HA ARG A 62 12.678 0.644 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.252 0.211 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.612 -0.244 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.826 -2.641 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.588 -2.131 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.394 -2.904 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.450 -1.156 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 62 16.162 -1.608 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.826 -3.082 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.547 -3.458 -4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.373 -2.092 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.983 -2.900 -2.713 1.00 0.00 H new ATOM 932 N GLU A 63 10.448 0.116 -0.195 1.00 0.00 N ATOM 933 CA GLU A 63 9.061 -0.176 -0.538 1.00 0.00 C ATOM 934 C GLU A 63 8.712 0.383 -1.915 1.00 0.00 C ATOM 935 O GLU A 63 8.815 1.587 -2.152 1.00 0.00 O ATOM 936 CB GLU A 63 8.117 0.406 0.516 1.00 0.00 C ATOM 937 CG GLU A 63 7.756 -0.575 1.618 1.00 0.00 C ATOM 938 CD GLU A 63 7.509 0.109 2.949 1.00 0.00 C ATOM 939 OE1 GLU A 63 6.658 1.022 2.998 1.00 0.00 O ATOM 940 OE2 GLU A 63 8.166 -0.269 3.942 1.00 0.00 O ATOM 0 H GLU A 63 10.707 1.099 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 63 8.940 -1.259 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.582 1.285 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.203 0.742 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.864 -1.130 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.561 -1.302 1.731 1.00 0.00 H new ATOM 947 N ARG A 64 8.298 -0.499 -2.818 1.00 0.00 N ATOM 948 CA ARG A 64 7.935 -0.095 -4.171 1.00 0.00 C ATOM 949 C ARG A 64 6.736 0.848 -4.153 1.00 0.00 C ATOM 950 O ARG A 64 6.219 1.191 -3.090 1.00 0.00 O ATOM 951 CB ARG A 64 7.619 -1.323 -5.026 1.00 0.00 C ATOM 952 CG ARG A 64 8.801 -2.261 -5.206 1.00 0.00 C ATOM 953 CD ARG A 64 8.633 -3.140 -6.436 1.00 0.00 C ATOM 954 NE ARG A 64 9.496 -4.317 -6.390 1.00 0.00 N ATOM 955 CZ ARG A 64 9.243 -5.440 -7.051 1.00 0.00 C ATOM 956 NH1 ARG A 64 8.157 -5.539 -7.806 1.00 0.00 N ATOM 957 NH2 ARG A 64 10.076 -6.469 -6.959 1.00 0.00 N ATOM 0 H ARG A 64 8.205 -1.499 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 64 8.784 0.432 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.797 -1.872 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.275 -0.994 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.718 -1.679 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.907 -2.888 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.593 -3.456 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.859 -2.559 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 64 10.340 -4.274 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.514 -4.751 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.965 -6.403 -8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.912 -6.398 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.880 -7.331 -7.468 1.00 0.00 H new ATOM 971 N ALA A 65 6.299 1.264 -5.337 1.00 0.00 N ATOM 972 CA ALA A 65 5.161 2.166 -5.458 1.00 0.00 C ATOM 973 C ALA A 65 4.417 1.940 -6.770 1.00 0.00 C ATOM 974 O ALA A 65 4.991 2.071 -7.851 1.00 0.00 O ATOM 975 CB ALA A 65 5.620 3.613 -5.352 1.00 0.00 C ATOM 0 H ALA A 65 6.716 0.990 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 65 4.473 1.954 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.759 4.275 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.099 3.773 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.331 3.829 -6.150 1.00 0.00 H new ATOM 981 N LEU A 66 3.137 1.598 -6.667 1.00 0.00 N ATOM 982 CA LEU A 66 2.314 1.352 -7.847 1.00 0.00 C ATOM 983 C LEU A 66 1.077 2.244 -7.843 1.00 0.00 C ATOM 984 O LEU A 66 0.079 1.935 -7.193 1.00 0.00 O ATOM 985 CB LEU A 66 1.897 -0.118 -7.904 1.00 0.00 C ATOM 986 CG LEU A 66 0.934 -0.499 -9.029 1.00 0.00 C ATOM 987 CD1 LEU A 66 1.696 -0.759 -10.319 1.00 0.00 C ATOM 988 CD2 LEU A 66 0.112 -1.719 -8.637 1.00 0.00 C ATOM 0 H LEU A 66 2.647 1.485 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 66 2.907 1.589 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.796 -0.727 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.435 -0.381 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 66 0.252 0.335 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.994 -1.029 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.239 0.141 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.402 -1.576 -10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.568 -1.976 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.778 -2.559 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.464 -1.496 -7.739 1.00 0.00 H new ATOM 1000 N ASN A 67 1.150 3.351 -8.575 1.00 0.00 N ATOM 1001 CA ASN A 67 0.034 4.287 -8.658 1.00 0.00 C ATOM 1002 C ASN A 67 -0.810 4.019 -9.899 1.00 0.00 C ATOM 1003 O ASN A 67 -0.379 4.273 -11.025 1.00 0.00 O ATOM 1004 CB ASN A 67 0.551 5.727 -8.680 1.00 0.00 C ATOM 1005 CG ASN A 67 0.933 6.183 -10.075 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.279 7.048 -10.659 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.997 5.601 -10.617 1.00 0.00 N ATOM 0 H ASN A 67 1.969 3.622 -9.119 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.593 4.146 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.215 6.391 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.418 5.809 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.302 5.866 -11.554 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.509 4.889 -10.097 1.00 0.00 H new ATOM 1014 N THR A 68 -2.018 3.505 -9.687 1.00 0.00 N ATOM 1015 CA THR A 68 -2.924 3.201 -10.788 1.00 0.00 C ATOM 1016 C THR A 68 -4.312 2.841 -10.274 1.00 0.00 C ATOM 1017 O THR A 68 -4.527 1.749 -9.745 1.00 0.00 O ATOM 1018 CB THR A 68 -2.391 2.041 -11.651 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.770 1.056 -10.817 1.00 0.00 O ATOM 1020 CG2 THR A 68 -1.390 2.547 -12.678 1.00 0.00 C ATOM 0 H THR A 68 -2.391 3.291 -8.762 1.00 0.00 H new ATOM 0 HA THR A 68 -2.989 4.100 -11.401 1.00 0.00 H new ATOM 0 HB THR A 68 -3.233 1.592 -12.178 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.380 0.812 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.027 1.711 -13.275 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.873 3.275 -13.329 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.551 3.018 -12.167 1.00 0.00 H new ATOM 1028 N THR A 69 -5.256 3.764 -10.432 1.00 0.00 N ATOM 1029 CA THR A 69 -6.624 3.544 -9.983 1.00 0.00 C ATOM 1030 C THR A 69 -7.616 4.320 -10.842 1.00 0.00 C ATOM 1031 O THR A 69 -7.453 5.519 -11.064 1.00 0.00 O ATOM 1032 CB THR A 69 -6.806 3.956 -8.510 1.00 0.00 C ATOM 1033 OG1 THR A 69 -5.905 5.020 -8.185 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.559 2.775 -7.583 1.00 0.00 C ATOM 0 H THR A 69 -5.097 4.672 -10.868 1.00 0.00 H new ATOM 0 HA THR A 69 -6.820 2.476 -10.080 1.00 0.00 H new ATOM 0 HB THR A 69 -7.833 4.295 -8.375 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.027 5.277 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.693 3.090 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.265 1.977 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.541 2.410 -7.722 1.00 0.00 H new ATOM 1042 N GLN A 70 -8.644 3.627 -11.322 1.00 0.00 N ATOM 1043 CA GLN A 70 -9.663 4.253 -12.157 1.00 0.00 C ATOM 1044 C GLN A 70 -10.178 5.538 -11.517 1.00 0.00 C ATOM 1045 O GLN A 70 -10.008 5.776 -10.321 1.00 0.00 O ATOM 1046 CB GLN A 70 -10.824 3.286 -12.393 1.00 0.00 C ATOM 1047 CG GLN A 70 -10.664 2.437 -13.644 1.00 0.00 C ATOM 1048 CD GLN A 70 -9.446 1.535 -13.585 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -9.395 0.592 -12.795 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -8.457 1.821 -14.424 1.00 0.00 N ATOM 0 H GLN A 70 -8.793 2.633 -11.147 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.208 4.503 -13.115 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.921 2.629 -11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.751 3.855 -12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.557 1.827 -13.781 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.587 3.089 -14.514 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.542 2.612 -15.062 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.612 1.249 -14.431 1.00 0.00 H new ATOM 1059 N PRO A 71 -10.823 6.388 -12.330 1.00 0.00 N ATOM 1060 CA PRO A 71 -11.376 7.663 -11.864 1.00 0.00 C ATOM 1061 C PRO A 71 -12.580 7.472 -10.948 1.00 0.00 C ATOM 1062 O PRO A 71 -13.678 7.161 -11.406 1.00 0.00 O ATOM 1063 CB PRO A 71 -11.796 8.362 -13.160 1.00 0.00 C ATOM 1064 CG PRO A 71 -12.039 7.254 -14.126 1.00 0.00 C ATOM 1065 CD PRO A 71 -11.062 6.169 -13.766 1.00 0.00 C ATOM 0 HA PRO A 71 -10.656 8.228 -11.273 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.693 8.963 -13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.017 9.035 -13.517 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.065 6.894 -14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.888 7.590 -15.152 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.473 5.178 -13.958 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.141 6.250 -14.344 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.365 7.662 -9.649 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.442 7.507 -8.689 1.00 0.00 C ATOM 1075 C GLY A 72 -13.375 6.184 -7.952 1.00 0.00 C ATOM 1076 O GLY A 72 -14.216 5.898 -7.099 1.00 0.00 O ATOM 0 H GLY A 72 -11.465 7.920 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.402 8.324 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.399 7.584 -9.205 1.00 0.00 H new ATOM 1080 N SER A 73 -12.374 5.374 -8.281 1.00 0.00 N ATOM 1081 CA SER A 73 -12.204 4.072 -7.648 1.00 0.00 C ATOM 1082 C SER A 73 -11.110 4.123 -6.585 1.00 0.00 C ATOM 1083 O SER A 73 -9.946 4.390 -6.888 1.00 0.00 O ATOM 1084 CB SER A 73 -11.862 3.012 -8.697 1.00 0.00 C ATOM 1085 OG SER A 73 -10.708 3.376 -9.433 1.00 0.00 O ATOM 0 H SER A 73 -11.668 5.597 -8.983 1.00 0.00 H new ATOM 0 HA SER A 73 -13.144 3.805 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.697 2.052 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.705 2.883 -9.376 1.00 0.00 H new ATOM 0 HG SER A 73 -10.519 4.328 -9.296 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.492 3.866 -5.339 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.545 3.882 -4.230 1.00 0.00 C ATOM 1093 C LEU A 74 -10.011 2.481 -3.949 1.00 0.00 C ATOM 1094 O LEU A 74 -9.474 2.215 -2.874 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.211 4.447 -2.974 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.281 5.972 -2.880 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -9.892 6.579 -2.998 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.203 6.530 -3.955 1.00 0.00 C ATOM 0 H LEU A 74 -12.451 3.644 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.707 4.521 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.225 4.052 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.673 4.073 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.689 6.239 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.962 7.665 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.261 6.204 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.455 6.304 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.241 7.616 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.824 6.253 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.205 6.121 -3.823 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.160 1.590 -4.925 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.691 0.217 -4.782 1.00 0.00 C ATOM 1112 C GLN A 75 -8.594 -0.091 -5.797 1.00 0.00 C ATOM 1113 O GLN A 75 -8.726 0.217 -6.982 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.853 -0.762 -4.957 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.042 -0.461 -4.059 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.211 -1.394 -4.305 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -13.148 -2.583 -3.991 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -14.287 -0.860 -4.871 1.00 0.00 N ATOM 0 H GLN A 75 -10.601 1.794 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.277 0.103 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.180 -0.743 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.500 -1.773 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.734 -0.538 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.363 0.568 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.297 0.130 -5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.104 -1.440 -5.062 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.513 -0.701 -5.324 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.392 -1.051 -6.190 1.00 0.00 C ATOM 1129 C LEU A 76 -5.874 -2.450 -5.870 1.00 0.00 C ATOM 1130 O LEU A 76 -5.720 -2.816 -4.704 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.265 -0.029 -6.037 1.00 0.00 C ATOM 1132 CG LEU A 76 -3.988 -0.314 -6.829 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.313 -0.554 -8.295 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -3.002 0.835 -6.681 1.00 0.00 C ATOM 0 H LEU A 76 -7.389 -0.964 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.744 -1.041 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.644 0.948 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.006 0.040 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.527 -1.216 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.393 -0.755 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.983 -1.409 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.797 0.330 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.099 0.615 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.454 1.753 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.745 0.961 -5.629 1.00 0.00 H new ATOM 1146 N THR A 77 -5.603 -3.228 -6.914 1.00 0.00 N ATOM 1147 CA THR A 77 -5.100 -4.585 -6.744 1.00 0.00 C ATOM 1148 C THR A 77 -3.610 -4.663 -7.059 1.00 0.00 C ATOM 1149 O THR A 77 -3.173 -4.276 -8.143 1.00 0.00 O ATOM 1150 CB THR A 77 -5.856 -5.581 -7.645 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.262 -5.507 -7.384 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.366 -7.002 -7.411 1.00 0.00 C ATOM 0 H THR A 77 -5.724 -2.941 -7.885 1.00 0.00 H new ATOM 0 HA THR A 77 -5.263 -4.854 -5.700 1.00 0.00 H new ATOM 0 HB THR A 77 -5.665 -5.314 -8.684 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.736 -6.141 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.914 -7.687 -8.058 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.302 -7.062 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.531 -7.277 -6.369 1.00 0.00 H new ATOM 1160 N VAL A 78 -2.834 -5.167 -6.104 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.393 -5.297 -6.281 1.00 0.00 C ATOM 1162 C VAL A 78 -0.999 -6.748 -6.533 1.00 0.00 C ATOM 1163 O VAL A 78 -1.314 -7.635 -5.741 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.627 -4.775 -5.050 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.866 -5.020 -5.206 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -0.914 -3.298 -4.831 1.00 0.00 C ATOM 0 H VAL A 78 -3.179 -5.492 -5.201 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.125 -4.695 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.970 -5.322 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.390 -4.645 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.050 -6.089 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.229 -4.502 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.365 -2.946 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.601 -2.732 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.982 -3.155 -4.670 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.307 -6.983 -7.644 1.00 0.00 N ATOM 1177 CA GLY A 79 0.120 -8.328 -7.981 1.00 0.00 C ATOM 1178 C GLY A 79 1.623 -8.501 -7.887 1.00 0.00 C ATOM 1179 O GLY A 79 2.323 -7.630 -7.373 1.00 0.00 O ATOM 0 H GLY A 79 -0.035 -6.266 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.367 -9.038 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.207 -8.567 -8.993 1.00 0.00 H new ATOM 1183 N ASN A 80 2.120 -9.629 -8.384 1.00 0.00 N ATOM 1184 CA ASN A 80 3.550 -9.914 -8.352 1.00 0.00 C ATOM 1185 C ASN A 80 4.031 -10.116 -6.919 1.00 0.00 C ATOM 1186 O ASN A 80 5.068 -9.584 -6.519 1.00 0.00 O ATOM 1187 CB ASN A 80 4.333 -8.776 -9.009 1.00 0.00 C ATOM 1188 CG ASN A 80 3.815 -8.443 -10.395 1.00 0.00 C ATOM 1189 OD1 ASN A 80 2.757 -7.832 -10.545 1.00 0.00 O ATOM 1190 ND2 ASN A 80 4.561 -8.845 -11.418 1.00 0.00 N ATOM 0 H ASN A 80 1.554 -10.361 -8.814 1.00 0.00 H new ATOM 0 HA ASN A 80 3.725 -10.835 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.275 -7.888 -8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.385 -9.053 -9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.263 -8.650 -12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.431 -9.349 -11.248 1.00 0.00 H new ATOM 1197 N LEU A 81 3.273 -10.889 -6.149 1.00 0.00 N ATOM 1198 CA LEU A 81 3.623 -11.163 -4.759 1.00 0.00 C ATOM 1199 C LEU A 81 3.902 -12.648 -4.551 1.00 0.00 C ATOM 1200 O LEU A 81 3.344 -13.500 -5.243 1.00 0.00 O ATOM 1201 CB LEU A 81 2.495 -10.710 -3.830 1.00 0.00 C ATOM 1202 CG LEU A 81 1.946 -9.304 -4.078 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.623 -9.113 -3.353 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.954 -8.252 -3.639 1.00 0.00 C ATOM 0 H LEU A 81 2.412 -11.337 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 81 4.528 -10.605 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.673 -11.420 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.854 -10.762 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 81 1.771 -9.186 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.247 -8.107 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.100 -9.844 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.772 -9.251 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.546 -7.258 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.161 -8.368 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.878 -8.375 -4.204 1.00 0.00 H new ATOM 1216 N LYS A 82 4.769 -12.953 -3.591 1.00 0.00 N ATOM 1217 CA LYS A 82 5.121 -14.334 -3.287 1.00 0.00 C ATOM 1218 C LYS A 82 4.161 -14.928 -2.261 1.00 0.00 C ATOM 1219 O LYS A 82 3.815 -14.297 -1.261 1.00 0.00 O ATOM 1220 CB LYS A 82 6.556 -14.413 -2.763 1.00 0.00 C ATOM 1221 CG LYS A 82 7.091 -15.832 -2.665 1.00 0.00 C ATOM 1222 CD LYS A 82 8.305 -15.908 -1.755 1.00 0.00 C ATOM 1223 CE LYS A 82 8.866 -17.321 -1.691 1.00 0.00 C ATOM 1224 NZ LYS A 82 9.732 -17.627 -2.862 1.00 0.00 N ATOM 0 H LYS A 82 5.241 -12.261 -3.010 1.00 0.00 H new ATOM 0 HA LYS A 82 5.044 -14.912 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.206 -13.833 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.600 -13.948 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.310 -16.491 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.357 -16.191 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.075 -15.226 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.031 -15.578 -0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.441 -17.442 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.045 -18.036 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.095 -18.598 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.177 -17.536 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.530 -16.961 -2.887 1.00 0.00 H new ATOM 1238 N PRO A 83 3.720 -16.170 -2.510 1.00 0.00 N ATOM 1239 CA PRO A 83 2.795 -16.875 -1.618 1.00 0.00 C ATOM 1240 C PRO A 83 3.450 -17.268 -0.298 1.00 0.00 C ATOM 1241 O PRO A 83 4.667 -17.431 -0.223 1.00 0.00 O ATOM 1242 CB PRO A 83 2.414 -18.124 -2.418 1.00 0.00 C ATOM 1243 CG PRO A 83 3.561 -18.346 -3.342 1.00 0.00 C ATOM 1244 CD PRO A 83 4.090 -16.980 -3.682 1.00 0.00 C ATOM 0 HA PRO A 83 1.944 -16.254 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.261 -18.982 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.485 -17.974 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.331 -18.956 -2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.242 -18.875 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.169 -16.994 -3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.642 -16.592 -4.597 1.00 0.00 H new ATOM 1252 N GLU A 84 2.633 -17.418 0.741 1.00 0.00 N ATOM 1253 CA GLU A 84 3.135 -17.791 2.058 1.00 0.00 C ATOM 1254 C GLU A 84 4.228 -16.829 2.516 1.00 0.00 C ATOM 1255 O GLU A 84 5.290 -17.252 2.970 1.00 0.00 O ATOM 1256 CB GLU A 84 3.676 -19.222 2.036 1.00 0.00 C ATOM 1257 CG GLU A 84 2.597 -20.283 2.174 1.00 0.00 C ATOM 1258 CD GLU A 84 3.167 -21.672 2.382 1.00 0.00 C ATOM 1259 OE1 GLU A 84 3.460 -22.025 3.544 1.00 0.00 O ATOM 1260 OE2 GLU A 84 3.321 -22.406 1.384 1.00 0.00 O ATOM 0 H GLU A 84 1.622 -17.287 0.696 1.00 0.00 H new ATOM 0 HA GLU A 84 2.306 -17.735 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.215 -19.383 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.397 -19.341 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.950 -20.030 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.974 -20.280 1.280 1.00 0.00 H new ATOM 1267 N ALA A 85 3.958 -15.534 2.393 1.00 0.00 N ATOM 1268 CA ALA A 85 4.916 -14.512 2.796 1.00 0.00 C ATOM 1269 C ALA A 85 4.205 -13.259 3.296 1.00 0.00 C ATOM 1270 O ALA A 85 3.145 -12.892 2.790 1.00 0.00 O ATOM 1271 CB ALA A 85 5.841 -14.170 1.637 1.00 0.00 C ATOM 0 H ALA A 85 3.083 -15.167 2.017 1.00 0.00 H new ATOM 0 HA ALA A 85 5.512 -14.911 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.551 -13.406 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.383 -15.064 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.252 -13.795 0.800 1.00 0.00 H new ATOM 1277 N MET A 86 4.796 -12.607 4.292 1.00 0.00 N ATOM 1278 CA MET A 86 4.219 -11.394 4.859 1.00 0.00 C ATOM 1279 C MET A 86 4.585 -10.174 4.021 1.00 0.00 C ATOM 1280 O MET A 86 5.758 -9.941 3.726 1.00 0.00 O ATOM 1281 CB MET A 86 4.698 -11.201 6.299 1.00 0.00 C ATOM 1282 CG MET A 86 3.978 -10.082 7.034 1.00 0.00 C ATOM 1283 SD MET A 86 3.881 -10.367 8.812 1.00 0.00 S ATOM 1284 CE MET A 86 2.127 -10.667 9.011 1.00 0.00 C ATOM 0 H MET A 86 5.674 -12.898 4.723 1.00 0.00 H new ATOM 0 HA MET A 86 3.134 -11.502 4.856 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.559 -12.133 6.847 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.768 -10.991 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.494 -9.140 6.849 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.970 -9.978 6.631 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.809 -10.324 9.995 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.576 -10.126 8.242 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.927 -11.734 8.917 1.00 0.00 H new ATOM 1294 N TYR A 87 3.576 -9.399 3.640 1.00 0.00 N ATOM 1295 CA TYR A 87 3.793 -8.204 2.833 1.00 0.00 C ATOM 1296 C TYR A 87 3.066 -7.003 3.432 1.00 0.00 C ATOM 1297 O TYR A 87 1.896 -7.092 3.804 1.00 0.00 O ATOM 1298 CB TYR A 87 3.317 -8.438 1.398 1.00 0.00 C ATOM 1299 CG TYR A 87 4.357 -9.088 0.514 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.490 -10.470 0.465 1.00 0.00 C ATOM 1301 CD2 TYR A 87 5.208 -8.320 -0.271 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.440 -11.068 -0.341 1.00 0.00 C ATOM 1303 CE2 TYR A 87 6.159 -8.909 -1.081 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.271 -10.284 -1.112 1.00 0.00 C ATOM 1305 OH TYR A 87 7.219 -10.875 -1.917 1.00 0.00 O ATOM 0 H TYR A 87 2.600 -9.577 3.877 1.00 0.00 H new ATOM 0 HA TYR A 87 4.862 -7.992 2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.426 -9.065 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.026 -7.483 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.840 -11.088 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.124 -7.244 -0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.531 -12.144 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.811 -8.297 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 87 7.721 -10.182 -2.395 1.00 0.00 H new ATOM 1315 N THR A 88 3.769 -5.878 3.521 1.00 0.00 N ATOM 1316 CA THR A 88 3.194 -4.659 4.074 1.00 0.00 C ATOM 1317 C THR A 88 2.668 -3.749 2.970 1.00 0.00 C ATOM 1318 O THR A 88 3.404 -3.377 2.056 1.00 0.00 O ATOM 1319 CB THR A 88 4.224 -3.883 4.917 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.680 -4.697 6.003 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.621 -2.596 5.458 1.00 0.00 C ATOM 0 H THR A 88 4.738 -5.786 3.217 1.00 0.00 H new ATOM 0 HA THR A 88 2.367 -4.963 4.715 1.00 0.00 H new ATOM 0 HB THR A 88 5.068 -3.628 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.336 -4.198 6.533 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.367 -2.065 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.302 -1.966 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.761 -2.832 6.085 1.00 0.00 H new ATOM 1329 N PHE A 89 1.391 -3.392 3.061 1.00 0.00 N ATOM 1330 CA PHE A 89 0.767 -2.524 2.069 1.00 0.00 C ATOM 1331 C PHE A 89 0.372 -1.187 2.688 1.00 0.00 C ATOM 1332 O PHE A 89 -0.081 -1.129 3.831 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.464 -3.205 1.468 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.156 -4.503 0.779 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.214 -5.620 1.511 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.235 -4.607 -0.600 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.499 -6.816 0.880 1.00 0.00 C ATOM 1338 CE2 PHE A 89 0.049 -5.800 -1.237 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.415 -6.907 -0.496 1.00 0.00 C ATOM 0 H PHE A 89 0.768 -3.690 3.812 1.00 0.00 H new ATOM 0 HA PHE A 89 1.493 -2.337 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.191 -3.387 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.932 -2.527 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.280 -5.555 2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.522 -3.745 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.787 -7.679 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.015 -5.867 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.635 -7.841 -0.991 1.00 0.00 H new ATOM 1349 N ARG A 90 0.549 -0.113 1.924 1.00 0.00 N ATOM 1350 CA ARG A 90 0.213 1.224 2.397 1.00 0.00 C ATOM 1351 C ARG A 90 -0.572 1.994 1.339 1.00 0.00 C ATOM 1352 O ARG A 90 -0.534 1.658 0.155 1.00 0.00 O ATOM 1353 CB ARG A 90 1.484 1.993 2.764 1.00 0.00 C ATOM 1354 CG ARG A 90 2.308 1.323 3.851 1.00 0.00 C ATOM 1355 CD ARG A 90 3.341 2.276 4.433 1.00 0.00 C ATOM 1356 NE ARG A 90 4.527 1.571 4.911 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.696 2.163 5.131 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.833 3.464 4.916 1.00 0.00 N ATOM 1359 NH2 ARG A 90 6.729 1.454 5.566 1.00 0.00 N ATOM 0 H ARG A 90 0.923 -0.143 0.976 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.411 1.122 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.100 2.108 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.210 2.995 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.649 0.971 4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.810 0.447 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.632 3.002 3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.895 2.835 5.256 1.00 0.00 H new ATOM 0 HE ARG A 90 4.454 0.569 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.040 4.012 4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.731 3.917 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.627 0.453 5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.626 1.910 5.734 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.285 3.028 1.774 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.079 3.846 0.864 1.00 0.00 C ATOM 1375 C VAL A 91 -1.834 5.331 1.106 1.00 0.00 C ATOM 1376 O VAL A 91 -1.836 5.795 2.246 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.583 3.554 1.015 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.399 4.473 0.119 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -3.876 2.094 0.702 1.00 0.00 C ATOM 0 H VAL A 91 -1.329 3.319 2.751 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.767 3.589 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.870 3.746 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.459 4.251 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.211 5.511 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.112 4.316 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.944 1.905 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.574 1.874 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.321 1.456 1.390 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.623 6.074 0.024 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.379 7.509 0.117 1.00 0.00 C ATOM 1391 C VAL A 92 -2.114 8.264 -0.985 1.00 0.00 C ATOM 1392 O VAL A 92 -2.195 7.800 -2.122 1.00 0.00 O ATOM 1393 CB VAL A 92 0.125 7.828 0.028 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.365 9.320 0.202 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.901 7.031 1.065 1.00 0.00 C ATOM 0 H VAL A 92 -1.616 5.706 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.755 7.833 1.088 1.00 0.00 H new ATOM 0 HB VAL A 92 0.482 7.539 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.433 9.527 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.159 9.867 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.007 9.637 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.962 7.269 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.544 7.287 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.754 5.965 0.889 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.647 9.431 -0.639 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.373 10.253 -1.600 1.00 0.00 C ATOM 1407 C ALA A 93 -2.461 11.302 -2.225 1.00 0.00 C ATOM 1408 O ALA A 93 -1.661 11.935 -1.535 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.565 10.920 -0.929 1.00 0.00 C ATOM 0 H ALA A 93 -2.590 9.828 0.299 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.735 9.603 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.098 11.531 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.236 10.156 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.216 11.552 -0.112 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.584 11.481 -3.536 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.768 12.452 -4.255 1.00 0.00 C ATOM 1417 C TYR A 94 -2.643 13.424 -5.041 1.00 0.00 C ATOM 1418 O TYR A 94 -3.247 13.058 -6.048 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.804 11.736 -5.203 1.00 0.00 C ATOM 1420 CG TYR A 94 0.511 11.359 -4.558 1.00 0.00 C ATOM 1421 CD1 TYR A 94 0.662 10.143 -3.902 1.00 0.00 C ATOM 1422 CD2 TYR A 94 1.601 12.219 -4.604 1.00 0.00 C ATOM 1423 CE1 TYR A 94 1.861 9.795 -3.311 1.00 0.00 C ATOM 1424 CE2 TYR A 94 2.805 11.878 -4.017 1.00 0.00 C ATOM 1425 CZ TYR A 94 2.930 10.665 -3.372 1.00 0.00 C ATOM 1426 OH TYR A 94 4.126 10.323 -2.784 1.00 0.00 O ATOM 0 H TYR A 94 -3.241 10.966 -4.122 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.194 13.019 -3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.284 10.834 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.607 12.379 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.172 9.459 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.506 13.170 -5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 94 1.961 8.847 -2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.643 12.557 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 94 4.775 11.045 -2.919 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.704 14.666 -4.571 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.505 15.693 -5.229 1.00 0.00 C ATOM 1438 C ASN A 95 -2.616 16.800 -5.788 1.00 0.00 C ATOM 1439 O ASN A 95 -1.391 16.734 -5.691 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.520 16.283 -4.248 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.877 17.228 -3.251 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -2.668 17.182 -3.026 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -4.687 18.091 -2.647 1.00 0.00 N ATOM 0 H ASN A 95 -2.209 14.986 -3.738 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.039 15.228 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.292 16.815 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.015 15.474 -3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.312 18.751 -1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.683 18.093 -2.865 1.00 0.00 H new ATOM 1450 N GLU A 96 -3.244 17.816 -6.371 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.509 18.938 -6.945 1.00 0.00 C ATOM 1452 C GLU A 96 -1.274 19.264 -6.111 1.00 0.00 C ATOM 1453 O GLU A 96 -0.146 18.987 -6.519 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.411 20.170 -7.044 1.00 0.00 C ATOM 1455 CG GLU A 96 -2.765 21.341 -7.764 1.00 0.00 C ATOM 1456 CD GLU A 96 -3.732 22.485 -8.002 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -4.664 22.654 -7.188 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -3.557 23.211 -9.003 1.00 0.00 O ATOM 0 H GLU A 96 -4.258 17.886 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.185 18.652 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.329 19.897 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.695 20.484 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.919 21.701 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.368 21.001 -8.720 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.496 19.853 -4.942 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.401 20.217 -4.050 1.00 0.00 C ATOM 1467 C TRP A 97 0.613 19.084 -3.942 1.00 0.00 C ATOM 1468 O TRP A 97 1.793 19.263 -4.242 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.941 20.569 -2.663 1.00 0.00 C ATOM 1470 CG TRP A 97 -1.992 21.637 -2.688 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.276 21.534 -2.234 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -1.849 22.968 -3.196 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -3.940 22.722 -2.429 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -3.086 23.618 -3.016 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.796 23.676 -3.782 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -3.297 24.938 -3.404 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -1.007 24.986 -4.166 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -2.248 25.607 -3.975 1.00 0.00 C ATOM 0 H TRP A 97 -2.424 20.089 -4.589 1.00 0.00 H new ATOM 0 HA TRP A 97 0.101 21.089 -4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.356 19.672 -2.204 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.115 20.897 -2.032 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.706 20.650 -1.788 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -4.911 22.906 -2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.165 23.207 -3.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.254 25.417 -3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -0.201 25.541 -4.622 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.380 26.633 -4.284 1.00 0.00 H new ATOM 1489 N GLY A 98 0.146 17.916 -3.510 1.00 0.00 N ATOM 1490 CA GLY A 98 1.026 16.771 -3.371 1.00 0.00 C ATOM 1491 C GLY A 98 0.493 15.746 -2.389 1.00 0.00 C ATOM 1492 O GLY A 98 -0.693 15.731 -2.057 1.00 0.00 O ATOM 0 H GLY A 98 -0.826 17.743 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.162 16.300 -4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.008 17.109 -3.041 1.00 0.00 H new ATOM 1496 N PRO A 99 1.381 14.864 -1.908 1.00 0.00 N ATOM 1497 CA PRO A 99 1.015 13.813 -0.953 1.00 0.00 C ATOM 1498 C PRO A 99 0.680 14.374 0.425 1.00 0.00 C ATOM 1499 O PRO A 99 1.508 15.026 1.059 1.00 0.00 O ATOM 1500 CB PRO A 99 2.273 12.943 -0.884 1.00 0.00 C ATOM 1501 CG PRO A 99 3.387 13.857 -1.262 1.00 0.00 C ATOM 1502 CD PRO A 99 2.810 14.823 -2.260 1.00 0.00 C ATOM 0 HA PRO A 99 0.122 13.272 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.418 12.535 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.207 12.096 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.774 14.383 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.219 13.301 -1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.272 15.807 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.962 14.482 -3.284 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.541 14.116 0.883 1.00 0.00 N ATOM 1511 CA GLY A 100 -0.964 14.603 2.183 1.00 0.00 C ATOM 1512 C GLY A 100 -0.760 13.577 3.280 1.00 0.00 C ATOM 1513 O GLY A 100 0.206 12.816 3.255 1.00 0.00 O ATOM 0 H GLY A 100 -1.245 13.578 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.407 15.508 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.018 14.879 2.139 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.672 13.557 4.247 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.585 12.619 5.360 1.00 0.00 C ATOM 1519 C GLU A 101 -1.555 11.179 4.855 1.00 0.00 C ATOM 1520 O GLU A 101 -2.287 10.817 3.933 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.766 12.812 6.313 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.694 11.941 7.556 1.00 0.00 C ATOM 1523 CD GLU A 101 -1.844 12.555 8.650 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -2.316 13.507 9.306 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -0.705 12.083 8.851 1.00 0.00 O ATOM 0 H GLU A 101 -2.479 14.179 4.282 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.658 12.818 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.811 13.858 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.691 12.594 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.702 11.772 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.287 10.966 7.289 1.00 0.00 H new ATOM 1532 N SER A 102 -0.704 10.361 5.466 1.00 0.00 N ATOM 1533 CA SER A 102 -0.574 8.962 5.077 1.00 0.00 C ATOM 1534 C SER A 102 -1.358 8.060 6.026 1.00 0.00 C ATOM 1535 O SER A 102 -1.507 8.365 7.209 1.00 0.00 O ATOM 1536 CB SER A 102 0.899 8.549 5.062 1.00 0.00 C ATOM 1537 OG SER A 102 1.481 8.691 6.346 1.00 0.00 O ATOM 0 H SER A 102 -0.094 10.643 6.233 1.00 0.00 H new ATOM 0 HA SER A 102 -0.985 8.849 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.986 7.514 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.444 9.160 4.343 1.00 0.00 H new ATOM 0 HG SER A 102 2.422 8.419 6.311 1.00 0.00 H new ATOM 1543 N SER A 103 -1.856 6.946 5.498 1.00 0.00 N ATOM 1544 CA SER A 103 -2.627 6.000 6.295 1.00 0.00 C ATOM 1545 C SER A 103 -1.705 5.042 7.043 1.00 0.00 C ATOM 1546 O SER A 103 -0.517 4.945 6.740 1.00 0.00 O ATOM 1547 CB SER A 103 -3.586 5.211 5.402 1.00 0.00 C ATOM 1548 OG SER A 103 -2.897 4.612 4.318 1.00 0.00 O ATOM 0 H SER A 103 -1.739 6.677 4.521 1.00 0.00 H new ATOM 0 HA SER A 103 -3.205 6.565 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.085 4.441 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.363 5.874 5.021 1.00 0.00 H new ATOM 0 HG SER A 103 -2.865 5.238 3.565 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.264 4.336 8.021 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.492 3.386 8.813 1.00 0.00 C ATOM 1556 C GLN A 104 -1.159 2.141 7.997 1.00 0.00 C ATOM 1557 O GLN A 104 -2.009 1.574 7.310 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.266 2.993 10.073 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.456 2.152 11.047 1.00 0.00 C ATOM 1560 CD GLN A 104 -0.633 2.994 12.001 1.00 0.00 C ATOM 1561 OE1 GLN A 104 0.594 2.895 12.035 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -1.306 3.829 12.784 1.00 0.00 N ATOM 0 H GLN A 104 -3.247 4.404 8.283 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.558 3.868 9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.603 3.898 10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.159 2.439 9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.131 1.516 11.620 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.794 1.492 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.323 3.878 12.722 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.806 4.421 13.447 1.00 0.00 H new ATOM 1571 N PRO A 105 0.107 1.704 8.073 1.00 0.00 N ATOM 1572 CA PRO A 105 0.581 0.521 7.348 1.00 0.00 C ATOM 1573 C PRO A 105 -0.003 -0.773 7.905 1.00 0.00 C ATOM 1574 O PRO A 105 0.036 -1.012 9.113 1.00 0.00 O ATOM 1575 CB PRO A 105 2.096 0.559 7.560 1.00 0.00 C ATOM 1576 CG PRO A 105 2.282 1.317 8.829 1.00 0.00 C ATOM 1577 CD PRO A 105 1.172 2.331 8.873 1.00 0.00 C ATOM 0 HA PRO A 105 0.283 0.539 6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.511 -0.446 7.635 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.600 1.050 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.237 0.652 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.257 1.804 8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.846 2.526 9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.483 3.286 8.450 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.542 -1.603 7.019 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.131 -2.873 7.423 1.00 0.00 C ATOM 1587 C ILE A 106 -0.304 -4.049 6.916 1.00 0.00 C ATOM 1588 O ILE A 106 0.329 -3.970 5.863 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.575 -3.014 6.905 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.588 -3.059 5.375 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.435 -1.867 7.414 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.769 -3.811 4.803 1.00 0.00 C ATOM 0 H ILE A 106 -0.583 -1.419 6.017 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.142 -2.883 8.513 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.991 -3.948 7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.596 -2.039 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.667 -3.525 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.452 -1.981 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.446 -1.877 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.023 -0.920 7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.713 -3.802 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.752 -4.841 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.695 -3.332 5.123 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.314 -5.142 7.672 1.00 0.00 N ATOM 1605 CA LYS A 107 0.432 -6.338 7.300 1.00 0.00 C ATOM 1606 C LYS A 107 -0.513 -7.469 6.905 1.00 0.00 C ATOM 1607 O LYS A 107 -1.262 -7.983 7.736 1.00 0.00 O ATOM 1608 CB LYS A 107 1.327 -6.787 8.457 1.00 0.00 C ATOM 1609 CG LYS A 107 2.590 -5.957 8.607 1.00 0.00 C ATOM 1610 CD LYS A 107 3.651 -6.695 9.406 1.00 0.00 C ATOM 1611 CE LYS A 107 5.023 -6.065 9.227 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.131 -4.760 9.937 1.00 0.00 N ATOM 0 H LYS A 107 -0.831 -5.224 8.547 1.00 0.00 H new ATOM 0 HA LYS A 107 1.056 -6.093 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.758 -6.738 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.604 -7.831 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.983 -5.709 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.351 -5.015 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.382 -6.689 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.685 -7.738 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.787 -6.746 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.219 -5.918 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.081 -4.363 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.419 -4.101 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.969 -4.904 10.954 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.471 -7.852 5.633 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.322 -8.924 5.130 1.00 0.00 C ATOM 1628 C VAL A 108 -0.488 -10.082 4.595 1.00 0.00 C ATOM 1629 O VAL A 108 0.441 -9.882 3.813 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.257 -8.421 4.014 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.168 -9.541 3.535 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.072 -7.231 4.498 1.00 0.00 C ATOM 0 H VAL A 108 0.143 -7.436 4.932 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.924 -9.271 5.970 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.646 -8.096 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.821 -9.167 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.564 -10.361 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.773 -9.899 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.727 -6.889 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.674 -7.527 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.400 -6.423 4.787 1.00 0.00 H new ATOM 1642 N ALA A 109 -0.826 -11.294 5.022 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.110 -12.486 4.584 1.00 0.00 C ATOM 1644 C ALA A 109 -0.867 -13.204 3.471 1.00 0.00 C ATOM 1645 O ALA A 109 -2.010 -13.625 3.655 1.00 0.00 O ATOM 1646 CB ALA A 109 0.120 -13.425 5.759 1.00 0.00 C ATOM 0 H ALA A 109 -1.591 -11.477 5.671 1.00 0.00 H new ATOM 0 HA ALA A 109 0.856 -12.174 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.656 -14.311 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.710 -12.916 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.840 -13.722 6.181 1.00 0.00 H new ATOM 1652 N THR A 110 -0.224 -13.340 2.316 1.00 0.00 N ATOM 1653 CA THR A 110 -0.837 -14.005 1.173 1.00 0.00 C ATOM 1654 C THR A 110 -1.307 -15.408 1.541 1.00 0.00 C ATOM 1655 O THR A 110 -0.937 -15.942 2.586 1.00 0.00 O ATOM 1656 CB THR A 110 0.140 -14.098 -0.013 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.469 -14.340 0.464 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.116 -12.819 -0.836 1.00 0.00 C ATOM 0 H THR A 110 0.722 -12.998 2.147 1.00 0.00 H new ATOM 0 HA THR A 110 -1.696 -13.402 0.880 1.00 0.00 H new ATOM 0 HB THR A 110 -0.173 -14.926 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.103 -14.263 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.814 -12.909 -1.668 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.890 -12.654 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.406 -11.977 -0.208 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.125 -15.999 0.675 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.645 -17.340 0.910 1.00 0.00 C ATOM 1668 C GLN A 111 -1.732 -18.394 0.293 1.00 0.00 C ATOM 1669 O GLN A 111 -1.042 -18.150 -0.696 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.056 -17.471 0.334 1.00 0.00 C ATOM 1671 CG GLN A 111 -4.982 -16.331 0.728 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.426 -16.595 0.350 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.715 -17.460 -0.477 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.343 -15.849 0.955 1.00 0.00 N ATOM 0 H GLN A 111 -2.441 -15.570 -0.195 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.683 -17.504 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.993 -17.518 -0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.490 -18.413 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -4.916 -16.169 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.646 -15.412 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.059 -15.143 1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.331 -15.982 0.740 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.726 -19.595 0.891 1.00 0.00 N ATOM 1684 CA PRO A 112 -0.902 -20.711 0.416 1.00 0.00 C ATOM 1685 C PRO A 112 -1.391 -21.267 -0.917 1.00 0.00 C ATOM 1686 O PRO A 112 -2.377 -22.000 -0.969 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.055 -21.759 1.521 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.365 -21.450 2.159 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.524 -19.957 2.074 1.00 0.00 C ATOM 0 HA PRO A 112 0.130 -20.408 0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.042 -22.769 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.239 -21.696 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.180 -21.959 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.383 -21.786 3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.569 -19.670 1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.157 -19.462 2.973 1.00 0.00 H new