USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 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 83 MET CE :methyl -163:sc= -0.0411 (180deg=-0.0917) USER MOD Set 1.2: A 111 SER OG : rot 56:sc= 0.939 USER MOD Set 2.1: A 64 ASN : amide:sc= -5 K(o=-17,f=-19!) USER MOD Set 2.2: A 68 GLN : amide:sc= -3.11! C(o=-17!,f=-23!) USER MOD Set 2.3: A 71 HIS :FLIP no HE2:sc= -8.71! C(o=-19!,f=-17!) USER MOD Single : A 17 GLN : amide:sc= -3 K(o=-3,f=-7.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0 USER MOD Single : A 33 SER OG : rot 37:sc= 0.462 USER MOD Single : A 39 GLN : amide:sc= -2.77! X(o=-2.8!,f=-2.5) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00714) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.041 USER MOD Single : A 49 CYS SG : rot 106:sc= -0.598 USER MOD Single : A 50 THR OG1 : rot 14:sc= 0.451 USER MOD Single : A 52 MET CE :methyl 168:sc= 0 (180deg=-0.162) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.0243 F(o=-0.55,f=0.024) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 59 SER OG : rot -77:sc= -0.401 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.124) USER MOD Single : A 66 SER OG : rot 55:sc= 0.124 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.252 K(o=-0.25,f=-4.1!) USER MOD Single : A 72 GLN : amide:sc= -0.129 K(o=-0.13,f=-3.1!) USER MOD Single : A 75 ASN : amide:sc= 0.0889 K(o=0.089,f=-6.9!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 MET CE :methyl -125:sc= -1.52 (180deg=-6!) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 97 ASN : amide:sc= -4.38! C(o=-4.4!,f=-5.1!) USER MOD Single : A 102 SER OG : rot -1:sc= 0.743 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0313 F(o=-1.5,f=-0.031) USER MOD Single : A 105 MET CE :methyl 163:sc= -2.87! (180deg=-4.86!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.231 F(o=-0.76,f=-0.23) USER MOD Single : A 109 GLN : amide:sc= -3.35 K(o=-3.4,f=-4.2!) USER MOD Single : A 118 LYS NZ :NH3+ -162:sc= -0.031 (180deg=-0.277) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.766 -12.408 9.308 1.00 0.00 N ATOM 197 CA ASP A 15 7.014 -13.162 9.335 1.00 0.00 C ATOM 198 C ASP A 15 8.214 -12.223 9.424 1.00 0.00 C ATOM 199 O ASP A 15 8.235 -11.145 8.830 1.00 0.00 O ATOM 200 CB ASP A 15 7.131 -14.041 8.090 1.00 0.00 C ATOM 201 CG ASP A 15 7.832 -15.355 8.372 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.343 -16.115 9.233 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.870 -15.624 7.732 1.00 0.00 O ATOM 0 HA ASP A 15 7.006 -13.798 10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.135 -14.242 7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.677 -13.500 7.317 1.00 0.00 H new ATOM 208 N PRO A 16 9.236 -12.641 10.185 1.00 0.00 N ATOM 209 CA PRO A 16 10.458 -11.852 10.371 1.00 0.00 C ATOM 210 C PRO A 16 11.302 -11.783 9.103 1.00 0.00 C ATOM 211 O PRO A 16 12.157 -10.909 8.962 1.00 0.00 O ATOM 212 CB PRO A 16 11.206 -12.610 11.470 1.00 0.00 C ATOM 213 CG PRO A 16 10.712 -14.012 11.367 1.00 0.00 C ATOM 214 CD PRO A 16 9.279 -13.915 10.922 1.00 0.00 C ATOM 0 HA PRO A 16 10.239 -10.815 10.623 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.285 -12.559 11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.998 -12.188 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.305 -14.583 10.652 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.789 -14.524 12.326 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.997 -14.756 10.288 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.594 -13.912 11.770 1.00 0.00 H new ATOM 222 N GLN A 17 11.056 -12.710 8.182 1.00 0.00 N ATOM 223 CA GLN A 17 11.794 -12.753 6.926 1.00 0.00 C ATOM 224 C GLN A 17 11.046 -12.004 5.829 1.00 0.00 C ATOM 225 O GLN A 17 11.656 -11.378 4.961 1.00 0.00 O ATOM 226 CB GLN A 17 12.032 -14.203 6.499 1.00 0.00 C ATOM 227 CG GLN A 17 10.822 -14.852 5.846 1.00 0.00 C ATOM 228 CD GLN A 17 10.813 -14.683 4.340 1.00 0.00 C ATOM 229 OE1 GLN A 17 9.905 -14.068 3.778 1.00 0.00 O ATOM 230 NE2 GLN A 17 11.824 -15.230 3.676 1.00 0.00 N ATOM 0 H GLN A 17 10.351 -13.441 8.283 1.00 0.00 H new ATOM 0 HA GLN A 17 12.756 -12.265 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.871 -14.235 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.320 -14.788 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.809 -15.915 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.913 -14.418 6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.555 -15.731 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.870 -15.150 2.660 1.00 0.00 H new ATOM 239 N LYS A 18 9.719 -12.072 5.872 1.00 0.00 N ATOM 240 CA LYS A 18 8.885 -11.400 4.882 1.00 0.00 C ATOM 241 C LYS A 18 9.108 -9.892 4.918 1.00 0.00 C ATOM 242 O LYS A 18 9.229 -9.248 3.876 1.00 0.00 O ATOM 243 CB LYS A 18 7.409 -11.715 5.131 1.00 0.00 C ATOM 244 CG LYS A 18 7.045 -13.167 4.876 1.00 0.00 C ATOM 245 CD LYS A 18 6.859 -13.443 3.393 1.00 0.00 C ATOM 246 CE LYS A 18 5.866 -14.570 3.157 1.00 0.00 C ATOM 247 NZ LYS A 18 5.915 -15.067 1.753 1.00 0.00 N ATOM 0 H LYS A 18 9.198 -12.586 6.582 1.00 0.00 H new ATOM 0 HA LYS A 18 9.167 -11.768 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.161 -11.463 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.798 -11.078 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.827 -13.814 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.127 -13.412 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.510 -12.539 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.819 -13.703 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.080 -15.391 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.859 -14.220 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.224 -15.835 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.686 -14.289 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.869 -15.424 1.544 1.00 0.00 H new ATOM 261 N GLU A 19 9.162 -9.334 6.124 1.00 0.00 N ATOM 262 CA GLU A 19 9.370 -7.901 6.294 1.00 0.00 C ATOM 263 C GLU A 19 10.433 -7.387 5.326 1.00 0.00 C ATOM 264 O GLU A 19 10.258 -6.349 4.689 1.00 0.00 O ATOM 265 CB GLU A 19 9.784 -7.590 7.734 1.00 0.00 C ATOM 266 CG GLU A 19 9.873 -6.103 8.034 1.00 0.00 C ATOM 267 CD GLU A 19 10.728 -5.804 9.249 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.669 -6.581 9.518 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.457 -4.795 9.933 1.00 0.00 O ATOM 0 H GLU A 19 9.065 -9.853 6.997 1.00 0.00 H new ATOM 0 HA GLU A 19 8.429 -7.395 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.067 -8.047 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.752 -8.051 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.285 -5.585 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.870 -5.708 8.194 1.00 0.00 H new ATOM 276 N ALA A 20 11.535 -8.122 5.222 1.00 0.00 N ATOM 277 CA ALA A 20 12.625 -7.743 4.333 1.00 0.00 C ATOM 278 C ALA A 20 12.179 -7.772 2.875 1.00 0.00 C ATOM 279 O ALA A 20 12.601 -6.942 2.071 1.00 0.00 O ATOM 280 CB ALA A 20 13.820 -8.662 4.540 1.00 0.00 C ATOM 0 H ALA A 20 11.696 -8.984 5.743 1.00 0.00 H new ATOM 0 HA ALA A 20 12.920 -6.722 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.627 -8.367 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.161 -8.588 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.529 -9.691 4.327 1.00 0.00 H new ATOM 286 N GLU A 21 11.326 -8.735 2.541 1.00 0.00 N ATOM 287 CA GLU A 21 10.826 -8.873 1.179 1.00 0.00 C ATOM 288 C GLU A 21 10.075 -7.617 0.745 1.00 0.00 C ATOM 289 O GLU A 21 10.311 -7.081 -0.338 1.00 0.00 O ATOM 290 CB GLU A 21 9.908 -10.093 1.070 1.00 0.00 C ATOM 291 CG GLU A 21 10.597 -11.405 1.403 1.00 0.00 C ATOM 292 CD GLU A 21 9.968 -12.591 0.697 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.948 -12.595 -0.552 1.00 0.00 O ATOM 294 OE2 GLU A 21 9.496 -13.512 1.393 1.00 0.00 O ATOM 0 H GLU A 21 10.967 -9.431 3.195 1.00 0.00 H new ATOM 0 HA GLU A 21 11.681 -9.011 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.058 -9.959 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.510 -10.148 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.649 -11.339 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.560 -11.567 2.480 1.00 0.00 H new ATOM 301 N LEU A 22 9.169 -7.153 1.598 1.00 0.00 N ATOM 302 CA LEU A 22 8.382 -5.961 1.305 1.00 0.00 C ATOM 303 C LEU A 22 9.285 -4.748 1.103 1.00 0.00 C ATOM 304 O LEU A 22 9.352 -4.187 0.008 1.00 0.00 O ATOM 305 CB LEU A 22 7.390 -5.688 2.438 1.00 0.00 C ATOM 306 CG LEU A 22 6.368 -6.791 2.714 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.591 -6.492 3.987 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.420 -6.948 1.533 1.00 0.00 C ATOM 0 H LEU A 22 8.961 -7.584 2.499 1.00 0.00 H new ATOM 0 HA LEU A 22 7.830 -6.139 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.954 -5.506 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.850 -4.769 2.208 1.00 0.00 H new ATOM 0 HG LEU A 22 6.904 -7.730 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.868 -7.288 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.281 -6.431 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.066 -5.543 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.700 -7.737 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.891 -6.010 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.990 -7.209 0.641 1.00 0.00 H new ATOM 320 N ARG A 23 9.980 -4.350 2.163 1.00 0.00 N ATOM 321 CA ARG A 23 10.880 -3.206 2.100 1.00 0.00 C ATOM 322 C ARG A 23 11.830 -3.324 0.912 1.00 0.00 C ATOM 323 O ARG A 23 12.131 -2.335 0.242 1.00 0.00 O ATOM 324 CB ARG A 23 11.684 -3.091 3.398 1.00 0.00 C ATOM 325 CG ARG A 23 12.560 -4.300 3.681 1.00 0.00 C ATOM 326 CD ARG A 23 13.559 -4.016 4.792 1.00 0.00 C ATOM 327 NE ARG A 23 12.908 -3.884 6.093 1.00 0.00 N ATOM 328 CZ ARG A 23 13.524 -4.100 7.249 1.00 0.00 C ATOM 329 NH1 ARG A 23 14.802 -4.456 7.266 1.00 0.00 N ATOM 330 NH2 ARG A 23 12.864 -3.961 8.391 1.00 0.00 N ATOM 0 H ARG A 23 9.937 -4.803 3.076 1.00 0.00 H new ATOM 0 HA ARG A 23 10.276 -2.308 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.312 -2.201 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.995 -2.949 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.934 -5.147 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.094 -4.584 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.293 -4.821 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.103 -3.100 4.564 1.00 0.00 H new ATOM 0 HE ARG A 23 11.926 -3.611 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.313 -4.564 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.274 -4.621 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.881 -3.688 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.339 -4.127 9.278 1.00 0.00 H new ATOM 344 N THR A 24 12.298 -4.542 0.653 1.00 0.00 N ATOM 345 CA THR A 24 13.214 -4.789 -0.453 1.00 0.00 C ATOM 346 C THR A 24 12.501 -4.666 -1.795 1.00 0.00 C ATOM 347 O THR A 24 13.106 -4.292 -2.799 1.00 0.00 O ATOM 348 CB THR A 24 13.853 -6.187 -0.351 1.00 0.00 C ATOM 349 OG1 THR A 24 14.620 -6.288 0.855 1.00 0.00 O ATOM 350 CG2 THR A 24 14.747 -6.462 -1.551 1.00 0.00 C ATOM 0 H THR A 24 12.057 -5.372 1.195 1.00 0.00 H new ATOM 0 HA THR A 24 13.997 -4.034 -0.390 1.00 0.00 H new ATOM 0 HB THR A 24 13.054 -6.928 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.026 -6.510 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.187 -7.455 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.155 -6.413 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.540 -5.716 -1.592 1.00 0.00 H new ATOM 358 N TRP A 25 11.211 -4.983 -1.805 1.00 0.00 N ATOM 359 CA TRP A 25 10.414 -4.908 -3.025 1.00 0.00 C ATOM 360 C TRP A 25 9.949 -3.479 -3.283 1.00 0.00 C ATOM 361 O TRP A 25 9.781 -3.069 -4.432 1.00 0.00 O ATOM 362 CB TRP A 25 9.206 -5.840 -2.928 1.00 0.00 C ATOM 363 CG TRP A 25 8.126 -5.516 -3.915 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.174 -5.684 -5.269 1.00 0.00 C ATOM 365 CD2 TRP A 25 6.836 -4.967 -3.623 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.994 -5.272 -5.837 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.155 -4.828 -4.849 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.190 -4.579 -2.446 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.862 -4.319 -4.928 1.00 0.00 C ATOM 370 CZ3 TRP A 25 4.906 -4.073 -2.526 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.253 -3.948 -3.760 1.00 0.00 C ATOM 0 H TRP A 25 10.694 -5.294 -0.982 1.00 0.00 H new ATOM 0 HA TRP A 25 11.041 -5.223 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.535 -6.867 -3.084 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.795 -5.787 -1.920 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.017 -6.083 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.777 -5.293 -6.833 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.685 -4.673 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.357 -4.220 -5.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.398 -3.769 -1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.249 -3.551 -3.790 1.00 0.00 H new ATOM 382 N ILE A 26 9.743 -2.725 -2.208 1.00 0.00 N ATOM 383 CA ILE A 26 9.299 -1.340 -2.321 1.00 0.00 C ATOM 384 C ILE A 26 10.478 -0.401 -2.548 1.00 0.00 C ATOM 385 O ILE A 26 10.421 0.487 -3.399 1.00 0.00 O ATOM 386 CB ILE A 26 8.534 -0.891 -1.062 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.381 -1.853 -0.767 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.015 0.528 -1.236 1.00 0.00 C ATOM 389 CD1 ILE A 26 6.688 -1.582 0.549 1.00 0.00 C ATOM 0 H ILE A 26 9.876 -3.049 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 26 8.630 -1.292 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 26 9.220 -0.906 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.650 -1.789 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.763 -2.874 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.477 0.831 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.854 1.204 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.342 0.567 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.882 -2.302 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.406 -1.675 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.276 -0.573 0.542 1.00 0.00 H new ATOM 401 N GLU A 27 11.546 -0.605 -1.783 1.00 0.00 N ATOM 402 CA GLU A 27 12.740 0.224 -1.903 1.00 0.00 C ATOM 403 C GLU A 27 13.243 0.250 -3.343 1.00 0.00 C ATOM 404 O GLU A 27 13.713 1.277 -3.830 1.00 0.00 O ATOM 405 CB GLU A 27 13.842 -0.294 -0.976 1.00 0.00 C ATOM 406 CG GLU A 27 13.728 0.218 0.450 1.00 0.00 C ATOM 407 CD GLU A 27 14.507 -0.629 1.438 1.00 0.00 C ATOM 408 OE1 GLU A 27 13.980 -1.677 1.867 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.645 -0.244 1.780 1.00 0.00 O ATOM 0 H GLU A 27 11.609 -1.336 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 27 12.476 1.240 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.814 -1.384 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.812 -0.004 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.090 1.245 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.678 0.237 0.742 1.00 0.00 H new ATOM 416 N GLY A 28 13.139 -0.890 -4.021 1.00 0.00 N ATOM 417 CA GLY A 28 13.588 -0.977 -5.399 1.00 0.00 C ATOM 418 C GLY A 28 12.601 -0.359 -6.370 1.00 0.00 C ATOM 419 O GLY A 28 12.995 0.210 -7.388 1.00 0.00 O ATOM 0 H GLY A 28 12.752 -1.754 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.551 -0.476 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.745 -2.023 -5.662 1.00 0.00 H new ATOM 423 N LEU A 29 11.315 -0.471 -6.055 1.00 0.00 N ATOM 424 CA LEU A 29 10.268 0.080 -6.908 1.00 0.00 C ATOM 425 C LEU A 29 10.375 1.599 -6.989 1.00 0.00 C ATOM 426 O LEU A 29 10.622 2.160 -8.057 1.00 0.00 O ATOM 427 CB LEU A 29 8.889 -0.318 -6.380 1.00 0.00 C ATOM 428 CG LEU A 29 8.304 -1.615 -6.941 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.251 -2.177 -5.999 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.716 -1.381 -8.324 1.00 0.00 C ATOM 0 H LEU A 29 10.973 -0.938 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 29 10.398 -0.329 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.950 -0.410 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.193 0.493 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 29 9.108 -2.345 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.846 -3.100 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.704 -2.384 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.447 -1.451 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.305 -2.315 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.924 -0.634 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.497 -1.026 -8.996 1.00 0.00 H new ATOM 442 N THR A 30 10.190 2.262 -5.851 1.00 0.00 N ATOM 443 CA THR A 30 10.266 3.716 -5.791 1.00 0.00 C ATOM 444 C THR A 30 11.715 4.191 -5.793 1.00 0.00 C ATOM 445 O THR A 30 12.018 5.289 -6.257 1.00 0.00 O ATOM 446 CB THR A 30 9.558 4.265 -4.539 1.00 0.00 C ATOM 447 OG1 THR A 30 10.207 3.781 -3.358 1.00 0.00 O ATOM 448 CG2 THR A 30 8.093 3.856 -4.522 1.00 0.00 C ATOM 0 H THR A 30 9.986 1.814 -4.958 1.00 0.00 H new ATOM 0 HA THR A 30 9.761 4.096 -6.679 1.00 0.00 H new ATOM 0 HB THR A 30 9.614 5.353 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.622 3.139 -2.903 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.614 4.256 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.595 4.250 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.019 2.769 -4.518 1.00 0.00 H new ATOM 456 N GLY A 31 12.607 3.355 -5.269 1.00 0.00 N ATOM 457 CA GLY A 31 14.014 3.708 -5.219 1.00 0.00 C ATOM 458 C GLY A 31 14.342 4.624 -4.057 1.00 0.00 C ATOM 459 O GLY A 31 15.322 5.368 -4.101 1.00 0.00 O ATOM 0 H GLY A 31 12.380 2.440 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.611 2.799 -5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.296 4.195 -6.152 1.00 0.00 H new ATOM 463 N LEU A 32 13.519 4.573 -3.016 1.00 0.00 N ATOM 464 CA LEU A 32 13.724 5.406 -1.836 1.00 0.00 C ATOM 465 C LEU A 32 14.260 4.579 -0.672 1.00 0.00 C ATOM 466 O LEU A 32 14.446 3.369 -0.792 1.00 0.00 O ATOM 467 CB LEU A 32 12.415 6.088 -1.434 1.00 0.00 C ATOM 468 CG LEU A 32 11.820 7.055 -2.457 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.379 7.387 -2.104 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.656 8.325 -2.542 1.00 0.00 C ATOM 0 H LEU A 32 12.703 3.963 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 32 14.461 6.169 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.676 5.315 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.583 6.632 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 32 11.831 6.571 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.973 8.077 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.786 6.472 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.343 7.850 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.217 9.001 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.678 8.812 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.672 8.072 -2.844 1.00 0.00 H new ATOM 482 N SER A 33 14.502 5.241 0.456 1.00 0.00 N ATOM 483 CA SER A 33 15.017 4.567 1.642 1.00 0.00 C ATOM 484 C SER A 33 13.997 4.609 2.776 1.00 0.00 C ATOM 485 O SER A 33 13.624 5.683 3.250 1.00 0.00 O ATOM 486 CB SER A 33 16.326 5.214 2.094 1.00 0.00 C ATOM 487 OG SER A 33 16.152 6.600 2.341 1.00 0.00 O ATOM 0 H SER A 33 14.350 6.243 0.573 1.00 0.00 H new ATOM 0 HA SER A 33 15.206 3.525 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.685 4.723 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.089 5.071 1.329 1.00 0.00 H new ATOM 0 HG SER A 33 15.268 6.754 2.735 1.00 0.00 H new ATOM 493 N ILE A 34 13.550 3.434 3.206 1.00 0.00 N ATOM 494 CA ILE A 34 12.574 3.335 4.284 1.00 0.00 C ATOM 495 C ILE A 34 13.175 3.784 5.612 1.00 0.00 C ATOM 496 O ILE A 34 12.522 4.460 6.405 1.00 0.00 O ATOM 497 CB ILE A 34 12.043 1.898 4.433 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.319 1.463 3.158 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.117 1.798 5.636 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.366 -0.029 2.915 1.00 0.00 C ATOM 0 H ILE A 34 13.849 2.537 2.824 1.00 0.00 H new ATOM 0 HA ILE A 34 11.746 3.993 4.021 1.00 0.00 H new ATOM 0 HB ILE A 34 12.888 1.229 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.278 1.781 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.763 1.976 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.749 0.776 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.663 2.070 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.274 2.476 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.833 -0.265 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.404 -0.351 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.896 -0.549 3.750 1.00 0.00 H new ATOM 512 N GLY A 35 14.428 3.404 5.846 1.00 0.00 N ATOM 513 CA GLY A 35 15.098 3.777 7.079 1.00 0.00 C ATOM 514 C GLY A 35 15.346 2.589 7.987 1.00 0.00 C ATOM 515 O GLY A 35 15.030 1.447 7.651 1.00 0.00 O ATOM 0 H GLY A 35 14.991 2.845 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.049 4.254 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.495 4.515 7.608 1.00 0.00 H new ATOM 519 N PRO A 36 15.926 2.853 9.167 1.00 0.00 N ATOM 520 CA PRO A 36 16.229 1.808 10.151 1.00 0.00 C ATOM 521 C PRO A 36 14.971 1.228 10.788 1.00 0.00 C ATOM 522 O PRO A 36 15.032 0.232 11.508 1.00 0.00 O ATOM 523 CB PRO A 36 17.070 2.542 11.199 1.00 0.00 C ATOM 524 CG PRO A 36 16.657 3.969 11.084 1.00 0.00 C ATOM 525 CD PRO A 36 16.330 4.190 9.633 1.00 0.00 C ATOM 0 HA PRO A 36 16.736 0.956 9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.881 2.155 12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.136 2.422 11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.793 4.177 11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.457 4.634 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.529 4.918 9.508 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.191 4.565 9.080 1.00 0.00 H new ATOM 533 N ASP A 37 13.832 1.857 10.517 1.00 0.00 N ATOM 534 CA ASP A 37 12.560 1.403 11.062 1.00 0.00 C ATOM 535 C ASP A 37 11.487 1.362 9.978 1.00 0.00 C ATOM 536 O ASP A 37 11.183 2.378 9.353 1.00 0.00 O ATOM 537 CB ASP A 37 12.114 2.317 12.205 1.00 0.00 C ATOM 538 CG ASP A 37 12.911 2.090 13.474 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.105 1.738 13.369 1.00 0.00 O ATOM 540 OD2 ASP A 37 12.342 2.265 14.571 1.00 0.00 O ATOM 0 H ASP A 37 13.765 2.683 9.923 1.00 0.00 H new ATOM 0 HA ASP A 37 12.699 0.393 11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.218 3.357 11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.057 2.149 12.409 1.00 0.00 H new ATOM 545 N PHE A 38 10.917 0.182 9.761 1.00 0.00 N ATOM 546 CA PHE A 38 9.880 0.007 8.750 1.00 0.00 C ATOM 547 C PHE A 38 8.632 0.809 9.109 1.00 0.00 C ATOM 548 O PHE A 38 8.230 1.712 8.375 1.00 0.00 O ATOM 549 CB PHE A 38 9.524 -1.473 8.603 1.00 0.00 C ATOM 550 CG PHE A 38 8.757 -1.784 7.351 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.316 -1.552 6.104 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.476 -2.308 7.420 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.611 -1.836 4.950 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.766 -2.596 6.268 1.00 0.00 C ATOM 555 CZ PHE A 38 7.335 -2.359 5.033 1.00 0.00 C ATOM 0 H PHE A 38 11.155 -0.668 10.272 1.00 0.00 H new ATOM 0 HA PHE A 38 10.268 0.375 7.800 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.441 -2.062 8.613 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.936 -1.784 9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.314 -1.145 6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.027 -2.494 8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.057 -1.649 3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.769 -3.005 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.783 -2.582 4.132 1.00 0.00 H new ATOM 565 N GLN A 39 8.025 0.471 10.242 1.00 0.00 N ATOM 566 CA GLN A 39 6.821 1.158 10.697 1.00 0.00 C ATOM 567 C GLN A 39 6.958 2.667 10.525 1.00 0.00 C ATOM 568 O GLN A 39 6.081 3.320 9.958 1.00 0.00 O ATOM 569 CB GLN A 39 6.542 0.824 12.164 1.00 0.00 C ATOM 570 CG GLN A 39 5.307 1.514 12.720 1.00 0.00 C ATOM 571 CD GLN A 39 5.614 2.874 13.315 1.00 0.00 C ATOM 572 OE1 GLN A 39 6.454 2.998 14.207 1.00 0.00 O ATOM 573 NE2 GLN A 39 4.935 3.902 12.823 1.00 0.00 N ATOM 0 H GLN A 39 8.346 -0.273 10.861 1.00 0.00 H new ATOM 0 HA GLN A 39 5.985 0.815 10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.423 -0.255 12.266 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.407 1.107 12.763 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.571 1.628 11.925 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.855 0.881 13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.248 3.753 12.084 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.100 4.842 13.184 1.00 0.00 H new ATOM 582 N LYS A 40 8.063 3.217 11.016 1.00 0.00 N ATOM 583 CA LYS A 40 8.316 4.649 10.916 1.00 0.00 C ATOM 584 C LYS A 40 8.498 5.070 9.460 1.00 0.00 C ATOM 585 O LYS A 40 7.730 5.875 8.936 1.00 0.00 O ATOM 586 CB LYS A 40 9.559 5.026 11.725 1.00 0.00 C ATOM 587 CG LYS A 40 9.403 4.801 13.219 1.00 0.00 C ATOM 588 CD LYS A 40 10.713 5.023 13.955 1.00 0.00 C ATOM 589 CE LYS A 40 10.483 5.284 15.436 1.00 0.00 C ATOM 590 NZ LYS A 40 10.030 6.680 15.689 1.00 0.00 N ATOM 0 H LYS A 40 8.799 2.692 11.488 1.00 0.00 H new ATOM 0 HA LYS A 40 7.452 5.174 11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.407 4.444 11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.794 6.075 11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.644 5.477 13.613 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.050 3.786 13.400 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.352 4.149 13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.241 5.868 13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.738 4.586 15.816 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.405 5.096 15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.966 6.844 16.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.712 7.347 15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.096 6.826 15.256 1.00 0.00 H new ATOM 604 N GLY A 41 9.519 4.515 8.812 1.00 0.00 N ATOM 605 CA GLY A 41 9.781 4.845 7.423 1.00 0.00 C ATOM 606 C GLY A 41 8.509 5.038 6.622 1.00 0.00 C ATOM 607 O GLY A 41 8.444 5.898 5.743 1.00 0.00 O ATOM 0 H GLY A 41 10.168 3.844 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.378 5.756 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.375 4.051 6.970 1.00 0.00 H new ATOM 611 N LEU A 42 7.493 4.236 6.926 1.00 0.00 N ATOM 612 CA LEU A 42 6.215 4.323 6.226 1.00 0.00 C ATOM 613 C LEU A 42 5.223 5.178 7.008 1.00 0.00 C ATOM 614 O LEU A 42 4.356 5.828 6.426 1.00 0.00 O ATOM 615 CB LEU A 42 5.637 2.923 6.007 1.00 0.00 C ATOM 616 CG LEU A 42 6.598 1.882 5.431 1.00 0.00 C ATOM 617 CD1 LEU A 42 5.919 0.524 5.337 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.107 2.323 4.067 1.00 0.00 C ATOM 0 H LEU A 42 7.529 3.520 7.651 1.00 0.00 H new ATOM 0 HA LEU A 42 6.389 4.794 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.262 2.553 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.780 3.006 5.339 1.00 0.00 H new ATOM 0 HG LEU A 42 7.452 1.792 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.618 -0.204 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.606 0.204 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.047 0.598 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.789 1.570 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.265 2.442 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.632 3.273 4.164 1.00 0.00 H new ATOM 630 N LYS A 43 5.360 5.175 8.329 1.00 0.00 N ATOM 631 CA LYS A 43 4.479 5.953 9.192 1.00 0.00 C ATOM 632 C LYS A 43 4.110 7.280 8.537 1.00 0.00 C ATOM 633 O LYS A 43 2.972 7.479 8.113 1.00 0.00 O ATOM 634 CB LYS A 43 5.150 6.208 10.543 1.00 0.00 C ATOM 635 CG LYS A 43 4.344 7.111 11.462 1.00 0.00 C ATOM 636 CD LYS A 43 5.245 7.913 12.385 1.00 0.00 C ATOM 637 CE LYS A 43 4.452 8.936 13.185 1.00 0.00 C ATOM 638 NZ LYS A 43 5.250 9.500 14.309 1.00 0.00 N ATOM 0 H LYS A 43 6.073 4.642 8.826 1.00 0.00 H new ATOM 0 HA LYS A 43 3.566 5.379 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.318 5.253 11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.129 6.656 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.736 7.790 10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.657 6.508 12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.763 7.238 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.010 8.422 11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.132 9.743 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.549 8.469 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.675 10.193 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.535 8.733 14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.098 9.968 13.932 1.00 0.00 H new ATOM 652 N ASP A 44 5.080 8.185 8.456 1.00 0.00 N ATOM 653 CA ASP A 44 4.857 9.493 7.851 1.00 0.00 C ATOM 654 C ASP A 44 4.071 9.362 6.550 1.00 0.00 C ATOM 655 O ASP A 44 3.288 10.242 6.197 1.00 0.00 O ATOM 656 CB ASP A 44 6.193 10.189 7.587 1.00 0.00 C ATOM 657 CG ASP A 44 7.254 9.235 7.075 1.00 0.00 C ATOM 658 OD1 ASP A 44 6.883 8.197 6.487 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.453 9.526 7.260 1.00 0.00 O ATOM 0 H ASP A 44 6.028 8.036 8.802 1.00 0.00 H new ATOM 0 HA ASP A 44 4.274 10.095 8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.045 10.987 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.543 10.657 8.507 1.00 0.00 H new ATOM 664 N GLY A 45 4.288 8.258 5.842 1.00 0.00 N ATOM 665 CA GLY A 45 3.593 8.034 4.587 1.00 0.00 C ATOM 666 C GLY A 45 4.273 8.718 3.418 1.00 0.00 C ATOM 667 O GLY A 45 3.616 9.355 2.594 1.00 0.00 O ATOM 0 H GLY A 45 4.932 7.515 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.535 6.963 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.569 8.399 4.672 1.00 0.00 H new ATOM 671 N THR A 46 5.594 8.588 3.345 1.00 0.00 N ATOM 672 CA THR A 46 6.363 9.201 2.269 1.00 0.00 C ATOM 673 C THR A 46 6.541 8.236 1.102 1.00 0.00 C ATOM 674 O THR A 46 6.197 8.556 -0.037 1.00 0.00 O ATOM 675 CB THR A 46 7.751 9.658 2.760 1.00 0.00 C ATOM 676 OG1 THR A 46 8.408 8.581 3.437 1.00 0.00 O ATOM 677 CG2 THR A 46 7.627 10.851 3.694 1.00 0.00 C ATOM 0 H THR A 46 6.153 8.064 4.018 1.00 0.00 H new ATOM 0 HA THR A 46 5.800 10.072 1.934 1.00 0.00 H new ATOM 0 HB THR A 46 8.341 9.956 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.290 8.878 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.619 11.156 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.151 11.678 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.022 10.575 4.558 1.00 0.00 H new ATOM 685 N ILE A 47 7.081 7.058 1.392 1.00 0.00 N ATOM 686 CA ILE A 47 7.303 6.047 0.365 1.00 0.00 C ATOM 687 C ILE A 47 5.994 5.381 -0.043 1.00 0.00 C ATOM 688 O ILE A 47 5.660 5.316 -1.227 1.00 0.00 O ATOM 689 CB ILE A 47 8.289 4.965 0.846 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.652 5.586 1.152 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.423 3.869 -0.202 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.415 4.863 2.239 1.00 0.00 C ATOM 0 H ILE A 47 7.373 6.780 2.329 1.00 0.00 H new ATOM 0 HA ILE A 47 7.730 6.560 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 47 7.900 4.520 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.252 5.593 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.510 6.625 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.123 3.111 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.449 3.411 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.793 4.299 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.372 5.358 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.836 4.878 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.588 3.830 1.937 1.00 0.00 H new ATOM 704 N LEU A 48 5.254 4.889 0.945 1.00 0.00 N ATOM 705 CA LEU A 48 3.978 4.229 0.689 1.00 0.00 C ATOM 706 C LEU A 48 3.261 4.870 -0.494 1.00 0.00 C ATOM 707 O LEU A 48 2.660 4.179 -1.317 1.00 0.00 O ATOM 708 CB LEU A 48 3.091 4.293 1.933 1.00 0.00 C ATOM 709 CG LEU A 48 3.453 3.332 3.067 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.483 3.485 4.227 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.464 1.895 2.564 1.00 0.00 C ATOM 0 H LEU A 48 5.515 4.935 1.930 1.00 0.00 H new ATOM 0 HA LEU A 48 4.179 3.186 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.120 5.310 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.062 4.096 1.631 1.00 0.00 H new ATOM 0 HG LEU A 48 4.453 3.580 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.757 2.793 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.524 4.507 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.471 3.264 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.723 1.225 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.477 1.636 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.200 1.794 1.766 1.00 0.00 H new ATOM 723 N CYS A 49 3.330 6.194 -0.574 1.00 0.00 N ATOM 724 CA CYS A 49 2.688 6.929 -1.659 1.00 0.00 C ATOM 725 C CYS A 49 3.347 6.610 -2.997 1.00 0.00 C ATOM 726 O CYS A 49 2.707 6.085 -3.907 1.00 0.00 O ATOM 727 CB CYS A 49 2.752 8.433 -1.391 1.00 0.00 C ATOM 728 SG CYS A 49 1.552 9.018 -0.172 1.00 0.00 S ATOM 0 H CYS A 49 3.824 6.781 0.099 1.00 0.00 H new ATOM 0 HA CYS A 49 1.644 6.620 -1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.755 8.688 -1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.590 8.965 -2.328 1.00 0.00 H new ATOM 0 HG CYS A 49 2.163 9.288 0.943 1.00 0.00 H new ATOM 734 N THR A 50 4.632 6.932 -3.109 1.00 0.00 N ATOM 735 CA THR A 50 5.378 6.683 -4.336 1.00 0.00 C ATOM 736 C THR A 50 5.226 5.235 -4.787 1.00 0.00 C ATOM 737 O THR A 50 5.041 4.959 -5.973 1.00 0.00 O ATOM 738 CB THR A 50 6.875 6.999 -4.158 1.00 0.00 C ATOM 739 OG1 THR A 50 7.328 6.525 -2.884 1.00 0.00 O ATOM 740 CG2 THR A 50 7.129 8.495 -4.267 1.00 0.00 C ATOM 0 H THR A 50 5.178 7.366 -2.364 1.00 0.00 H new ATOM 0 HA THR A 50 4.963 7.344 -5.097 1.00 0.00 H new ATOM 0 HB THR A 50 7.427 6.494 -4.951 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.658 5.920 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.193 8.694 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.810 8.848 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.566 9.017 -3.493 1.00 0.00 H new ATOM 748 N LEU A 51 5.305 4.312 -3.835 1.00 0.00 N ATOM 749 CA LEU A 51 5.176 2.890 -4.135 1.00 0.00 C ATOM 750 C LEU A 51 3.960 2.629 -5.019 1.00 0.00 C ATOM 751 O LEU A 51 4.056 1.939 -6.034 1.00 0.00 O ATOM 752 CB LEU A 51 5.062 2.084 -2.839 1.00 0.00 C ATOM 753 CG LEU A 51 4.596 0.635 -2.988 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.571 -0.153 -3.849 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.438 -0.018 -1.624 1.00 0.00 C ATOM 0 H LEU A 51 5.458 4.523 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 51 6.069 2.574 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.035 2.083 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.370 2.600 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 51 3.625 0.635 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.223 -1.182 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.633 0.302 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.556 -0.145 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.106 -1.048 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.395 -0.007 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.700 0.532 -1.041 1.00 0.00 H new ATOM 767 N MET A 52 2.819 3.185 -4.626 1.00 0.00 N ATOM 768 CA MET A 52 1.585 3.014 -5.385 1.00 0.00 C ATOM 769 C MET A 52 1.692 3.681 -6.752 1.00 0.00 C ATOM 770 O MET A 52 1.361 3.081 -7.774 1.00 0.00 O ATOM 771 CB MET A 52 0.401 3.596 -4.611 1.00 0.00 C ATOM 772 CG MET A 52 -0.951 3.142 -5.138 1.00 0.00 C ATOM 773 SD MET A 52 -1.258 1.390 -4.844 1.00 0.00 S ATOM 774 CE MET A 52 -1.777 0.859 -6.474 1.00 0.00 C ATOM 0 H MET A 52 2.723 3.757 -3.787 1.00 0.00 H new ATOM 0 HA MET A 52 1.423 1.946 -5.533 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.487 3.311 -3.562 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.451 4.684 -4.651 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.737 3.729 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.005 3.342 -6.208 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.798 -0.230 -6.512 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.773 1.249 -6.684 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.076 1.235 -7.219 1.00 0.00 H new ATOM 784 N ASN A 53 2.156 4.927 -6.763 1.00 0.00 N ATOM 785 CA ASN A 53 2.305 5.676 -8.006 1.00 0.00 C ATOM 786 C ASN A 53 3.018 4.839 -9.064 1.00 0.00 C ATOM 787 O ASN A 53 2.691 4.905 -10.249 1.00 0.00 O ATOM 788 CB ASN A 53 3.081 6.971 -7.756 1.00 0.00 C ATOM 789 CG ASN A 53 2.171 8.131 -7.401 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.563 8.904 -6.396 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.128 8.330 -8.026 1.00 0.00 N flip ATOM 0 H ASN A 53 2.435 5.439 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 53 1.309 5.922 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.796 6.813 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.657 7.224 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.866 7.709 -8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.526 9.115 -7.777 1.00 0.00 H new ATOM 798 N LYS A 54 3.994 4.050 -8.627 1.00 0.00 N ATOM 799 CA LYS A 54 4.753 3.198 -9.534 1.00 0.00 C ATOM 800 C LYS A 54 3.846 2.168 -10.200 1.00 0.00 C ATOM 801 O LYS A 54 3.867 2.005 -11.421 1.00 0.00 O ATOM 802 CB LYS A 54 5.878 2.488 -8.777 1.00 0.00 C ATOM 803 CG LYS A 54 6.915 3.436 -8.200 1.00 0.00 C ATOM 804 CD LYS A 54 7.838 3.978 -9.280 1.00 0.00 C ATOM 805 CE LYS A 54 8.412 5.332 -8.894 1.00 0.00 C ATOM 806 NZ LYS A 54 9.737 5.575 -9.529 1.00 0.00 N ATOM 0 H LYS A 54 4.278 3.983 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 54 5.186 3.830 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.445 1.900 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.373 1.788 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.413 4.264 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.504 2.916 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.651 3.273 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.289 4.068 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.718 6.118 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.513 5.388 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.094 6.508 -9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.407 4.839 -9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.636 5.547 -10.564 1.00 0.00 H new ATOM 820 N LEU A 55 3.049 1.477 -9.392 1.00 0.00 N ATOM 821 CA LEU A 55 2.133 0.463 -9.904 1.00 0.00 C ATOM 822 C LEU A 55 1.016 1.104 -10.722 1.00 0.00 C ATOM 823 O LEU A 55 0.771 0.715 -11.864 1.00 0.00 O ATOM 824 CB LEU A 55 1.538 -0.343 -8.749 1.00 0.00 C ATOM 825 CG LEU A 55 2.531 -0.856 -7.706 1.00 0.00 C ATOM 826 CD1 LEU A 55 1.801 -1.582 -6.586 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.561 -1.769 -8.353 1.00 0.00 C ATOM 0 H LEU A 55 3.018 1.600 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 55 2.696 -0.207 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.798 0.277 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.005 -1.198 -9.166 1.00 0.00 H new ATOM 0 HG LEU A 55 3.053 -0.000 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.524 -1.940 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.103 -0.898 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.252 -2.429 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.259 -2.124 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.057 -2.621 -8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.106 -1.217 -9.119 1.00 0.00 H new ATOM 839 N GLN A 56 0.345 2.087 -10.130 1.00 0.00 N ATOM 840 CA GLN A 56 -0.745 2.780 -10.806 1.00 0.00 C ATOM 841 C GLN A 56 -0.337 4.202 -11.179 1.00 0.00 C ATOM 842 O GLN A 56 0.099 4.989 -10.339 1.00 0.00 O ATOM 843 CB GLN A 56 -1.988 2.811 -9.915 1.00 0.00 C ATOM 844 CG GLN A 56 -3.052 3.788 -10.389 1.00 0.00 C ATOM 845 CD GLN A 56 -4.457 3.323 -10.064 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.115 2.678 -10.880 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.926 3.649 -8.864 1.00 0.00 N ATOM 0 H GLN A 56 0.537 2.421 -9.185 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.976 2.235 -11.721 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.419 1.811 -9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.691 3.075 -8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.879 4.760 -9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.959 3.926 -11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.346 4.185 -8.218 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.866 3.363 -8.589 1.00 0.00 H new ATOM 856 N PRO A 57 -0.480 4.540 -12.469 1.00 0.00 N ATOM 857 CA PRO A 57 -0.132 5.868 -12.982 1.00 0.00 C ATOM 858 C PRO A 57 -1.089 6.949 -12.491 1.00 0.00 C ATOM 859 O PRO A 57 -0.973 8.114 -12.871 1.00 0.00 O ATOM 860 CB PRO A 57 -0.244 5.703 -14.500 1.00 0.00 C ATOM 861 CG PRO A 57 -1.208 4.581 -14.688 1.00 0.00 C ATOM 862 CD PRO A 57 -0.992 3.652 -13.526 1.00 0.00 C ATOM 0 HA PRO A 57 0.854 6.189 -12.646 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.603 6.617 -14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.724 5.473 -14.946 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.234 4.947 -14.709 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.032 4.070 -15.635 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.918 3.162 -13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.279 2.864 -13.769 1.00 0.00 H new ATOM 870 N GLY A 58 -2.035 6.555 -11.644 1.00 0.00 N ATOM 871 CA GLY A 58 -2.999 7.503 -11.115 1.00 0.00 C ATOM 872 C GLY A 58 -3.522 7.096 -9.751 1.00 0.00 C ATOM 873 O GLY A 58 -4.722 6.884 -9.578 1.00 0.00 O ATOM 0 H GLY A 58 -2.151 5.597 -11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.536 8.487 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.834 7.593 -11.809 1.00 0.00 H new ATOM 877 N SER A 59 -2.620 6.987 -8.781 1.00 0.00 N ATOM 878 CA SER A 59 -2.997 6.598 -7.427 1.00 0.00 C ATOM 879 C SER A 59 -2.901 7.786 -6.475 1.00 0.00 C ATOM 880 O SER A 59 -3.889 8.183 -5.857 1.00 0.00 O ATOM 881 CB SER A 59 -2.101 5.460 -6.933 1.00 0.00 C ATOM 882 OG SER A 59 -0.778 5.603 -7.421 1.00 0.00 O ATOM 0 H SER A 59 -1.623 7.163 -8.907 1.00 0.00 H new ATOM 0 HA SER A 59 -4.031 6.254 -7.448 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.091 5.448 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.510 4.504 -7.258 1.00 0.00 H new ATOM 0 HG SER A 59 -0.743 5.319 -8.358 1.00 0.00 H new ATOM 888 N VAL A 60 -1.703 8.350 -6.360 1.00 0.00 N ATOM 889 CA VAL A 60 -1.477 9.493 -5.485 1.00 0.00 C ATOM 890 C VAL A 60 -1.031 10.716 -6.280 1.00 0.00 C ATOM 891 O VAL A 60 -0.022 10.694 -6.985 1.00 0.00 O ATOM 892 CB VAL A 60 -0.416 9.178 -4.413 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.246 10.357 -3.466 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.791 7.918 -3.648 1.00 0.00 C ATOM 0 H VAL A 60 -0.874 8.033 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.427 9.708 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 60 0.538 9.003 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.507 10.116 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.072 11.234 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.195 10.567 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.031 7.710 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.755 8.062 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.856 7.078 -4.340 1.00 0.00 H new ATOM 904 N PRO A 61 -1.801 11.808 -6.165 1.00 0.00 N ATOM 905 CA PRO A 61 -1.505 13.062 -6.866 1.00 0.00 C ATOM 906 C PRO A 61 -0.266 13.757 -6.313 1.00 0.00 C ATOM 907 O PRO A 61 0.639 14.124 -7.062 1.00 0.00 O ATOM 908 CB PRO A 61 -2.753 13.912 -6.615 1.00 0.00 C ATOM 909 CG PRO A 61 -3.327 13.376 -5.348 1.00 0.00 C ATOM 910 CD PRO A 61 -3.019 11.904 -5.344 1.00 0.00 C ATOM 0 HA PRO A 61 -1.290 12.898 -7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.500 14.968 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.462 13.827 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.887 13.869 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.402 13.550 -5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.853 11.531 -4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.837 11.321 -5.768 1.00 0.00 H new ATOM 918 N LYS A 62 -0.232 13.934 -4.997 1.00 0.00 N ATOM 919 CA LYS A 62 0.897 14.584 -4.341 1.00 0.00 C ATOM 920 C LYS A 62 1.145 13.982 -2.961 1.00 0.00 C ATOM 921 O LYS A 62 0.260 13.354 -2.380 1.00 0.00 O ATOM 922 CB LYS A 62 0.644 16.088 -4.216 1.00 0.00 C ATOM 923 CG LYS A 62 1.899 16.894 -3.932 1.00 0.00 C ATOM 924 CD LYS A 62 1.600 18.382 -3.852 1.00 0.00 C ATOM 925 CE LYS A 62 1.383 18.982 -5.233 1.00 0.00 C ATOM 926 NZ LYS A 62 2.657 19.087 -5.998 1.00 0.00 N ATOM 0 H LYS A 62 -0.974 13.636 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 62 1.784 14.421 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.191 16.450 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.078 16.261 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.342 16.560 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.635 16.711 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.712 18.543 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.425 18.894 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.675 18.367 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.937 19.971 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.517 19.706 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.397 19.487 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.947 18.142 -6.320 1.00 0.00 H new ATOM 940 N ILE A 63 2.352 14.180 -2.443 1.00 0.00 N ATOM 941 CA ILE A 63 2.714 13.660 -1.130 1.00 0.00 C ATOM 942 C ILE A 63 3.029 14.791 -0.158 1.00 0.00 C ATOM 943 O ILE A 63 3.701 15.759 -0.512 1.00 0.00 O ATOM 944 CB ILE A 63 3.930 12.716 -1.215 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.597 11.496 -2.076 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.362 12.285 0.178 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.819 10.749 -2.562 1.00 0.00 C ATOM 0 H ILE A 63 3.096 14.697 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 63 1.854 13.100 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 63 4.756 13.252 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.970 10.815 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.011 11.818 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.221 11.619 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.634 13.164 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.540 11.763 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.508 9.897 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.437 11.415 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.394 10.397 -1.706 1.00 0.00 H new ATOM 959 N ASN A 64 2.541 14.661 1.071 1.00 0.00 N ATOM 960 CA ASN A 64 2.771 15.672 2.096 1.00 0.00 C ATOM 961 C ASN A 64 4.260 15.804 2.404 1.00 0.00 C ATOM 962 O ASN A 64 4.861 16.853 2.174 1.00 0.00 O ATOM 963 CB ASN A 64 2.004 15.318 3.372 1.00 0.00 C ATOM 964 CG ASN A 64 0.611 15.916 3.394 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.446 17.131 3.495 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.401 15.060 3.297 1.00 0.00 N ATOM 0 H ASN A 64 1.984 13.865 1.381 1.00 0.00 H new ATOM 0 HA ASN A 64 2.410 16.628 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.932 14.234 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.562 15.673 4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.362 15.403 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.217 14.060 3.215 1.00 0.00 H new ATOM 973 N ARG A 65 4.847 14.733 2.928 1.00 0.00 N ATOM 974 CA ARG A 65 6.266 14.730 3.269 1.00 0.00 C ATOM 975 C ARG A 65 6.612 15.915 4.165 1.00 0.00 C ATOM 976 O ARG A 65 7.755 16.370 4.194 1.00 0.00 O ATOM 977 CB ARG A 65 7.117 14.770 1.998 1.00 0.00 C ATOM 978 CG ARG A 65 8.545 14.293 2.208 1.00 0.00 C ATOM 979 CD ARG A 65 9.388 14.493 0.957 1.00 0.00 C ATOM 980 NE ARG A 65 9.732 15.896 0.748 1.00 0.00 N ATOM 981 CZ ARG A 65 10.777 16.489 1.315 1.00 0.00 C ATOM 982 NH1 ARG A 65 11.576 15.802 2.121 1.00 0.00 N ATOM 983 NH2 ARG A 65 11.026 17.770 1.075 1.00 0.00 N ATOM 0 H ARG A 65 4.363 13.857 3.126 1.00 0.00 H new ATOM 0 HA ARG A 65 6.482 13.811 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.645 14.152 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.136 15.790 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.993 14.836 3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.541 13.238 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.302 13.904 1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.844 14.120 0.089 1.00 0.00 H new ATOM 0 HE ARG A 65 9.138 16.452 0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.389 14.817 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.378 16.259 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.415 18.301 0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.829 18.224 1.511 1.00 0.00 H new ATOM 997 N SER A 66 5.617 16.410 4.895 1.00 0.00 N ATOM 998 CA SER A 66 5.815 17.545 5.788 1.00 0.00 C ATOM 999 C SER A 66 5.876 17.086 7.243 1.00 0.00 C ATOM 1000 O SER A 66 5.785 15.894 7.533 1.00 0.00 O ATOM 1001 CB SER A 66 4.689 18.564 5.610 1.00 0.00 C ATOM 1002 OG SER A 66 4.760 19.184 4.338 1.00 0.00 O ATOM 0 H SER A 66 4.666 16.042 4.885 1.00 0.00 H new ATOM 0 HA SER A 66 6.764 18.016 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.725 18.069 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.752 19.321 6.391 1.00 0.00 H new ATOM 0 HG SER A 66 4.762 18.497 3.639 1.00 0.00 H new ATOM 1008 N MET A 67 6.032 18.043 8.151 1.00 0.00 N ATOM 1009 CA MET A 67 6.105 17.739 9.576 1.00 0.00 C ATOM 1010 C MET A 67 4.707 17.623 10.179 1.00 0.00 C ATOM 1011 O MET A 67 4.481 16.829 11.091 1.00 0.00 O ATOM 1012 CB MET A 67 6.901 18.820 10.310 1.00 0.00 C ATOM 1013 CG MET A 67 7.165 18.493 11.771 1.00 0.00 C ATOM 1014 SD MET A 67 8.591 19.375 12.432 1.00 0.00 S ATOM 1015 CE MET A 67 8.816 18.530 13.996 1.00 0.00 C ATOM 0 H MET A 67 6.110 19.035 7.926 1.00 0.00 H new ATOM 0 HA MET A 67 6.613 16.782 9.693 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.854 18.967 9.801 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.358 19.763 10.250 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.283 18.743 12.360 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.325 17.420 11.876 1.00 0.00 H new ATOM 0 HE1 MET A 67 9.665 18.964 14.525 1.00 0.00 H new ATOM 0 HE2 MET A 67 7.916 18.640 14.602 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.004 17.472 13.814 1.00 0.00 H new ATOM 1025 N GLN A 68 3.777 18.419 9.662 1.00 0.00 N ATOM 1026 CA GLN A 68 2.403 18.405 10.151 1.00 0.00 C ATOM 1027 C GLN A 68 1.899 16.974 10.315 1.00 0.00 C ATOM 1028 O GLN A 68 1.932 16.183 9.374 1.00 0.00 O ATOM 1029 CB GLN A 68 1.491 19.173 9.194 1.00 0.00 C ATOM 1030 CG GLN A 68 1.622 20.684 9.310 1.00 0.00 C ATOM 1031 CD GLN A 68 1.254 21.402 8.027 1.00 0.00 C ATOM 1032 OE1 GLN A 68 0.076 21.578 7.716 1.00 0.00 O ATOM 1033 NE2 GLN A 68 2.265 21.820 7.272 1.00 0.00 N ATOM 0 H GLN A 68 3.949 19.081 8.905 1.00 0.00 H new ATOM 0 HA GLN A 68 2.386 18.891 11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.718 18.874 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.456 18.890 9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.982 21.039 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.647 20.936 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.226 21.652 7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.079 22.308 6.396 1.00 0.00 H new ATOM 1042 N ASN A 69 1.432 16.651 11.517 1.00 0.00 N ATOM 1043 CA ASN A 69 0.921 15.315 11.804 1.00 0.00 C ATOM 1044 C ASN A 69 -0.204 14.945 10.843 1.00 0.00 C ATOM 1045 O ASN A 69 -0.125 13.941 10.135 1.00 0.00 O ATOM 1046 CB ASN A 69 0.421 15.237 13.248 1.00 0.00 C ATOM 1047 CG ASN A 69 1.524 15.493 14.256 1.00 0.00 C ATOM 1048 OD1 ASN A 69 2.370 16.366 14.061 1.00 0.00 O ATOM 1049 ND2 ASN A 69 1.521 14.729 15.342 1.00 0.00 N ATOM 0 H ASN A 69 1.397 17.295 12.307 1.00 0.00 H new ATOM 0 HA ASN A 69 1.737 14.604 11.670 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.377 15.966 13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.010 14.252 13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.239 14.854 16.055 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.800 14.017 15.463 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.250 15.763 10.823 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.392 15.522 9.949 1.00 0.00 C ATOM 1058 C TRP A 70 -1.935 15.240 8.521 1.00 0.00 C ATOM 1059 O TRP A 70 -2.507 14.396 7.832 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.338 16.725 9.967 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.624 18.042 9.937 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -2.197 18.718 8.829 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.252 18.841 11.065 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.583 19.888 9.201 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.604 19.988 10.568 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.404 18.700 12.447 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -1.110 20.986 11.404 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.913 19.691 13.276 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.273 20.822 12.752 1.00 0.00 C ATOM 0 H TRP A 70 -1.331 16.599 11.402 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.923 14.646 10.320 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -4.009 16.664 9.110 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.959 16.677 10.862 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.324 18.381 7.811 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.177 20.572 8.563 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.896 17.832 12.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.616 21.858 11.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.025 19.592 14.346 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.901 21.579 13.426 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.902 15.954 8.085 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.368 15.779 6.739 1.00 0.00 C ATOM 1082 C HIS A 71 0.142 14.356 6.537 1.00 0.00 C ATOM 1083 O HIS A 71 -0.155 13.719 5.525 1.00 0.00 O ATOM 1084 CB HIS A 71 0.760 16.778 6.481 1.00 0.00 C ATOM 1085 CG HIS A 71 0.278 18.123 6.029 1.00 0.00 C ATOM 1086 ND1 HIS A 71 -0.942 18.530 5.607 1.00 0.00 N flip ATOM 1087 CD2 HIS A 71 1.092 19.234 5.975 1.00 0.00 C flip ATOM 1088 CE1 HIS A 71 -0.844 19.868 5.310 1.00 0.00 C flip ATOM 1089 NE2 HIS A 71 0.392 20.268 5.541 1.00 0.00 N flip ATOM 0 H HIS A 71 -0.419 16.658 8.643 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.175 15.961 6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.343 16.898 7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.431 16.369 5.726 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -1.778 17.951 5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.138 19.256 6.245 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.648 20.491 4.947 1.00 0.00 H new ATOM 1098 N GLN A 72 0.910 13.864 7.503 1.00 0.00 N ATOM 1099 CA GLN A 72 1.461 12.517 7.429 1.00 0.00 C ATOM 1100 C GLN A 72 0.351 11.480 7.286 1.00 0.00 C ATOM 1101 O GLN A 72 0.503 10.486 6.575 1.00 0.00 O ATOM 1102 CB GLN A 72 2.297 12.216 8.675 1.00 0.00 C ATOM 1103 CG GLN A 72 3.749 12.650 8.553 1.00 0.00 C ATOM 1104 CD GLN A 72 4.472 12.652 9.884 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.963 11.618 10.338 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.541 13.816 10.520 1.00 0.00 N ATOM 0 H GLN A 72 1.165 14.378 8.346 1.00 0.00 H new ATOM 0 HA GLN A 72 2.100 12.462 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.848 12.716 9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.262 11.145 8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.267 11.983 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.790 13.650 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.120 14.648 10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.015 13.877 11.421 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.766 11.721 7.964 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.903 10.808 7.913 1.00 0.00 C ATOM 1117 C LEU A 73 -2.476 10.731 6.501 1.00 0.00 C ATOM 1118 O LEU A 73 -2.605 9.648 5.932 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.988 11.259 8.892 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.869 10.724 10.319 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -2.994 9.209 10.333 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.551 11.158 10.943 1.00 0.00 C ATOM 0 H LEU A 73 -0.909 12.540 8.555 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.554 9.816 8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.983 12.348 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.957 10.959 8.493 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.683 11.141 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.907 8.846 11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.963 8.920 9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.201 8.773 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.483 10.768 11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.723 10.771 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.501 12.247 10.968 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.816 11.888 5.942 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.374 11.950 4.595 1.00 0.00 C ATOM 1136 C GLU A 74 -2.650 10.984 3.662 1.00 0.00 C ATOM 1137 O GLU A 74 -3.281 10.262 2.890 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.277 13.375 4.046 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.081 13.592 2.774 1.00 0.00 C ATOM 1140 CD GLU A 74 -4.191 15.057 2.397 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -5.135 15.723 2.871 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -3.334 15.536 1.626 1.00 0.00 O ATOM 0 H GLU A 74 -2.715 12.794 6.400 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.423 11.659 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.622 14.074 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.231 13.609 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.614 13.044 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.081 13.178 2.905 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.324 10.976 3.740 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.515 10.098 2.901 1.00 0.00 C ATOM 1151 C ASN A 75 -1.082 8.682 2.888 1.00 0.00 C ATOM 1152 O ASN A 75 -1.335 8.112 1.827 1.00 0.00 O ATOM 1153 CB ASN A 75 0.932 10.076 3.398 1.00 0.00 C ATOM 1154 CG ASN A 75 1.682 11.348 3.053 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.324 12.056 2.111 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.729 11.643 3.814 1.00 0.00 N ATOM 0 H ASN A 75 -0.786 11.567 4.375 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.537 10.487 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.940 9.935 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.450 9.222 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.273 12.486 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.989 11.027 4.584 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.280 8.120 4.076 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.818 6.770 4.203 1.00 0.00 C ATOM 1165 C LEU A 76 -3.239 6.696 3.651 1.00 0.00 C ATOM 1166 O LEU A 76 -3.570 5.797 2.879 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.803 6.330 5.668 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.424 6.161 6.304 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.551 5.938 7.802 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.327 5.009 5.653 1.00 0.00 C ATOM 0 H LEU A 76 -1.076 8.578 4.964 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.187 6.097 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.363 7.061 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.336 5.383 5.747 1.00 0.00 H new ATOM 0 HG LEU A 76 0.144 7.077 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.441 5.820 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.047 6.795 8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.138 5.039 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.307 4.904 6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.238 4.086 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.451 5.211 4.589 1.00 0.00 H new ATOM 1182 N SER A 77 -4.074 7.649 4.053 1.00 0.00 N ATOM 1183 CA SER A 77 -5.459 7.692 3.601 1.00 0.00 C ATOM 1184 C SER A 77 -5.536 7.633 2.078 1.00 0.00 C ATOM 1185 O SER A 77 -6.409 6.975 1.515 1.00 0.00 O ATOM 1186 CB SER A 77 -6.145 8.962 4.108 1.00 0.00 C ATOM 1187 OG SER A 77 -6.511 8.834 5.471 1.00 0.00 O ATOM 0 H SER A 77 -3.815 8.402 4.691 1.00 0.00 H new ATOM 0 HA SER A 77 -5.974 6.822 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.476 9.814 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.032 9.165 3.507 1.00 0.00 H new ATOM 0 HG SER A 77 -6.946 9.659 5.772 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.614 8.327 1.418 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.576 8.355 -0.040 1.00 0.00 C ATOM 1195 C ASN A 78 -4.049 7.035 -0.595 1.00 0.00 C ATOM 1196 O ASN A 78 -4.631 6.461 -1.516 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.702 9.512 -0.526 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.406 10.851 -0.426 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.635 10.921 -0.435 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.628 11.923 -0.328 1.00 0.00 N ATOM 0 H ASN A 78 -3.883 8.877 1.870 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.593 8.501 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.785 9.542 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.411 9.334 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.045 12.851 -0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.613 11.818 -0.324 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.945 6.561 -0.029 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.338 5.310 -0.469 1.00 0.00 C ATOM 1209 C PHE A 79 -3.322 4.151 -0.332 1.00 0.00 C ATOM 1210 O PHE A 79 -3.333 3.233 -1.152 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.074 5.019 0.343 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.563 3.617 0.173 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.469 3.046 -1.086 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.174 2.869 1.273 1.00 0.00 C ATOM 1215 CE1 PHE A 79 0.001 1.756 -1.245 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.297 1.579 1.121 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.386 1.022 -0.140 1.00 0.00 C ATOM 0 H PHE A 79 -2.452 7.024 0.735 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.070 5.414 -1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.293 5.720 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.281 5.197 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.767 3.616 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.240 3.300 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.067 1.322 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.595 1.007 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.756 0.015 -0.262 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.145 4.202 0.709 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.133 3.159 0.954 1.00 0.00 C ATOM 1229 C ILE A 80 -6.202 3.147 -0.134 1.00 0.00 C ATOM 1230 O ILE A 80 -6.305 2.196 -0.910 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.813 3.336 2.323 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.796 3.142 3.451 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.969 2.358 2.472 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.180 3.839 4.737 1.00 0.00 C ATOM 0 H ILE A 80 -4.147 4.955 1.397 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.597 2.210 0.944 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.210 4.349 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.680 2.076 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.825 3.513 3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.439 2.496 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.702 2.539 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.595 1.337 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.414 3.658 5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.267 4.911 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.136 3.451 5.090 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.994 4.212 -0.188 1.00 0.00 N ATOM 1247 CA LYS A 81 -8.054 4.328 -1.182 1.00 0.00 C ATOM 1248 C LYS A 81 -7.532 3.995 -2.575 1.00 0.00 C ATOM 1249 O LYS A 81 -8.264 3.470 -3.414 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.640 5.742 -1.171 1.00 0.00 C ATOM 1251 CG LYS A 81 -7.621 6.825 -1.480 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.234 8.212 -1.381 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.182 8.486 -2.538 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.472 9.061 -3.714 1.00 0.00 N ATOM 0 H LYS A 81 -6.922 5.008 0.446 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.837 3.614 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.448 5.797 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.079 5.937 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.783 6.746 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.221 6.674 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.772 8.307 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.442 8.961 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.676 7.559 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.962 9.174 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.153 9.233 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.022 9.958 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.745 8.393 -4.041 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.261 4.301 -2.815 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.640 4.029 -4.106 1.00 0.00 C ATOM 1270 C ALA A 82 -5.605 2.532 -4.395 1.00 0.00 C ATOM 1271 O ALA A 82 -5.815 2.105 -5.529 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.234 4.610 -4.148 1.00 0.00 C ATOM 0 H ALA A 82 -5.641 4.737 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.242 4.507 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.782 4.400 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.281 5.688 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.630 4.159 -3.361 1.00 0.00 H new ATOM 1278 N MET A 83 -5.336 1.741 -3.361 1.00 0.00 N ATOM 1279 CA MET A 83 -5.273 0.292 -3.505 1.00 0.00 C ATOM 1280 C MET A 83 -6.631 -0.274 -3.910 1.00 0.00 C ATOM 1281 O MET A 83 -6.726 -1.094 -4.822 1.00 0.00 O ATOM 1282 CB MET A 83 -4.809 -0.353 -2.198 1.00 0.00 C ATOM 1283 CG MET A 83 -3.315 -0.216 -1.950 1.00 0.00 C ATOM 1284 SD MET A 83 -2.737 -1.257 -0.597 1.00 0.00 S ATOM 1285 CE MET A 83 -3.063 -0.197 0.810 1.00 0.00 C ATOM 0 H MET A 83 -5.158 2.079 -2.415 1.00 0.00 H new ATOM 0 HA MET A 83 -4.554 0.062 -4.291 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.350 0.099 -1.367 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.071 -1.411 -2.211 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.774 -0.476 -2.860 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.082 0.825 -1.727 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.499 -0.553 1.672 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.760 0.823 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.128 -0.216 1.040 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.680 0.171 -3.224 1.00 0.00 N ATOM 1296 CA VAL A 84 -9.033 -0.290 -3.513 1.00 0.00 C ATOM 1297 C VAL A 84 -9.299 -0.309 -5.014 1.00 0.00 C ATOM 1298 O VAL A 84 -9.908 -1.243 -5.535 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.086 0.599 -2.827 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.486 0.221 -3.289 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.969 0.494 -1.314 1.00 0.00 C ATOM 0 H VAL A 84 -7.619 0.850 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.113 -1.304 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.902 1.635 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.217 0.860 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.561 0.353 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.684 -0.821 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.721 1.129 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.126 -0.540 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.976 0.818 -1.003 1.00 0.00 H new ATOM 1311 N SER A 85 -8.837 0.729 -5.703 1.00 0.00 N ATOM 1312 CA SER A 85 -9.027 0.834 -7.146 1.00 0.00 C ATOM 1313 C SER A 85 -8.204 -0.219 -7.881 1.00 0.00 C ATOM 1314 O SER A 85 -8.691 -0.874 -8.802 1.00 0.00 O ATOM 1315 CB SER A 85 -8.641 2.232 -7.633 1.00 0.00 C ATOM 1316 OG SER A 85 -8.813 2.350 -9.035 1.00 0.00 O ATOM 0 H SER A 85 -8.329 1.509 -5.286 1.00 0.00 H new ATOM 0 HA SER A 85 -10.081 0.661 -7.362 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.251 2.979 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.603 2.437 -7.372 1.00 0.00 H new ATOM 0 HG SER A 85 -8.561 3.253 -9.321 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.951 -0.376 -7.466 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.057 -1.347 -8.086 1.00 0.00 C ATOM 1324 C TYR A 86 -6.763 -2.685 -8.291 1.00 0.00 C ATOM 1325 O TYR A 86 -6.650 -3.303 -9.349 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.809 -1.544 -7.223 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.618 -2.070 -7.994 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.136 -1.397 -9.111 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.976 -3.239 -7.606 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.050 -1.874 -9.818 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.887 -3.722 -8.307 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.429 -3.036 -9.411 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.346 -3.514 -10.114 1.00 0.00 O ATOM 0 H TYR A 86 -6.532 0.156 -6.703 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.761 -0.960 -9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.542 -0.593 -6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.042 -2.236 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.619 -0.486 -9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.334 -3.780 -6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.689 -1.340 -10.685 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.398 -4.632 -7.991 1.00 0.00 H new ATOM 0 HH TYR A 86 0.139 -2.764 -10.518 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.493 -3.123 -7.271 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.208 -4.383 -7.358 1.00 0.00 C ATOM 1345 C GLY A 87 -7.906 -5.303 -6.192 1.00 0.00 C ATOM 1346 O GLY A 87 -7.815 -6.519 -6.359 1.00 0.00 O ATOM 0 H GLY A 87 -7.602 -2.628 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.280 -4.187 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.944 -4.884 -8.290 1.00 0.00 H new ATOM 1350 N MET A 88 -7.748 -4.723 -5.007 1.00 0.00 N ATOM 1351 CA MET A 88 -7.453 -5.499 -3.809 1.00 0.00 C ATOM 1352 C MET A 88 -8.719 -5.737 -2.990 1.00 0.00 C ATOM 1353 O MET A 88 -9.779 -5.196 -3.299 1.00 0.00 O ATOM 1354 CB MET A 88 -6.407 -4.782 -2.955 1.00 0.00 C ATOM 1355 CG MET A 88 -5.068 -4.606 -3.653 1.00 0.00 C ATOM 1356 SD MET A 88 -3.948 -5.989 -3.367 1.00 0.00 S ATOM 1357 CE MET A 88 -3.661 -5.834 -1.606 1.00 0.00 C ATOM 0 H MET A 88 -7.819 -3.718 -4.851 1.00 0.00 H new ATOM 0 HA MET A 88 -7.056 -6.465 -4.121 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.791 -3.802 -2.672 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.256 -5.344 -2.033 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.233 -4.493 -4.724 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.599 -3.686 -3.304 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.590 -5.771 -1.416 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.149 -4.932 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.070 -6.704 -1.093 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.599 -6.551 -1.946 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.733 -6.860 -1.084 1.00 0.00 C ATOM 1369 C ASN A 89 -9.964 -5.747 -0.067 1.00 0.00 C ATOM 1370 O ASN A 89 -9.067 -4.964 0.248 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.503 -8.188 -0.359 1.00 0.00 C ATOM 1372 CG ASN A 89 -9.895 -9.384 -1.205 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -9.869 -9.324 -2.435 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.259 -10.479 -0.549 1.00 0.00 N ATOM 0 H ASN A 89 -7.728 -7.008 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.620 -6.944 -1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.452 -8.271 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.078 -8.197 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.532 -11.316 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.266 -10.484 0.471 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.195 -5.672 0.461 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.572 -4.659 1.451 1.00 0.00 C ATOM 1383 C PRO A 90 -10.902 -4.891 2.800 1.00 0.00 C ATOM 1384 O PRO A 90 -10.887 -4.007 3.657 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.089 -4.829 1.571 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.345 -6.243 1.174 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.313 -6.572 0.132 1.00 0.00 C ATOM 0 HA PRO A 90 -11.264 -3.658 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.430 -4.636 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.618 -4.133 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.261 -6.911 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.353 -6.361 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.013 -7.619 0.180 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.689 -6.394 -0.876 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.345 -6.084 2.984 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.672 -6.430 4.229 1.00 0.00 C ATOM 1397 C VAL A 91 -8.161 -6.274 4.098 1.00 0.00 C ATOM 1398 O VAL A 91 -7.477 -5.918 5.059 1.00 0.00 O ATOM 1399 CB VAL A 91 -9.992 -7.874 4.659 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.483 -8.038 4.910 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.508 -8.862 3.607 1.00 0.00 C ATOM 0 H VAL A 91 -10.347 -6.827 2.285 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.042 -5.742 4.990 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.466 -8.083 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.690 -9.064 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.796 -7.356 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.033 -7.811 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.742 -9.877 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.005 -8.656 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.430 -8.761 3.481 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.645 -6.541 2.904 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.215 -6.428 2.646 1.00 0.00 C ATOM 1413 C ASP A 92 -5.710 -5.029 2.981 1.00 0.00 C ATOM 1414 O ASP A 92 -4.508 -4.812 3.144 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.912 -6.757 1.183 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.629 -8.230 0.967 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -4.963 -8.839 1.830 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.073 -8.775 -0.066 1.00 0.00 O ATOM 0 H ASP A 92 -8.196 -6.838 2.099 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.698 -7.143 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.758 -6.458 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.053 -6.173 0.853 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.636 -4.081 3.081 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.285 -2.700 3.396 1.00 0.00 C ATOM 1425 C LEU A 93 -5.888 -2.560 4.862 1.00 0.00 C ATOM 1426 O LEU A 93 -5.938 -3.525 5.625 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.459 -1.771 3.083 1.00 0.00 C ATOM 1428 CG LEU A 93 -8.099 -1.939 1.705 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.346 -1.076 1.586 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -7.103 -1.592 0.608 1.00 0.00 C ATOM 0 H LEU A 93 -7.634 -4.243 2.949 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.432 -2.418 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.229 -1.923 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.117 -0.741 3.179 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.391 -2.982 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.788 -1.209 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.067 -1.371 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.078 -0.029 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.576 -1.717 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.780 -0.557 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.239 -2.252 0.679 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.494 -1.351 5.250 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.089 -1.084 6.625 1.00 0.00 C ATOM 1444 C PHE A 94 -5.411 0.355 7.017 1.00 0.00 C ATOM 1445 O PHE A 94 -5.397 1.256 6.178 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.593 -1.350 6.800 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.722 -0.397 6.030 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.568 0.915 6.449 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.057 -0.813 4.888 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.768 1.793 5.744 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.255 0.060 4.179 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.110 1.366 4.607 1.00 0.00 C ATOM 0 H PHE A 94 -5.447 -0.541 4.632 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.648 -1.754 7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.342 -1.285 7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.373 -2.369 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.080 1.255 7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.167 -1.832 4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.657 2.813 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.742 -0.278 3.291 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.484 2.051 4.054 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.702 0.563 8.297 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.030 1.892 8.800 1.00 0.00 C ATOM 1464 C GLU A 95 -4.782 2.769 8.870 1.00 0.00 C ATOM 1465 O GLU A 95 -3.691 2.290 9.177 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.676 1.794 10.184 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.169 1.521 10.138 1.00 0.00 C ATOM 1468 CD GLU A 95 -8.738 1.158 11.497 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.355 0.097 12.034 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.564 1.932 12.022 1.00 0.00 O ATOM 0 H GLU A 95 -5.717 -0.171 9.005 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.738 2.350 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.187 1.001 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.501 2.724 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.684 2.402 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.365 0.709 9.438 1.00 0.00 H new ATOM 1477 N ALA A 96 -4.954 4.055 8.585 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.844 5.000 8.617 1.00 0.00 C ATOM 1479 C ALA A 96 -3.185 5.025 9.992 1.00 0.00 C ATOM 1480 O ALA A 96 -1.999 5.331 10.117 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.323 6.392 8.233 1.00 0.00 C ATOM 0 H ALA A 96 -5.851 4.467 8.329 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.099 4.672 7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.483 7.086 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.740 6.368 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.089 6.720 8.936 1.00 0.00 H new ATOM 1487 N ASN A 97 -3.962 4.705 11.021 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.453 4.693 12.388 1.00 0.00 C ATOM 1489 C ASN A 97 -2.542 3.491 12.619 1.00 0.00 C ATOM 1490 O ASN A 97 -1.432 3.631 13.132 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.613 4.666 13.386 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.199 3.278 13.556 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -4.603 2.417 14.202 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.371 3.056 12.973 1.00 0.00 N ATOM 0 H ASN A 97 -4.946 4.451 10.935 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.872 5.602 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.265 5.031 14.352 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.394 5.348 13.049 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.814 2.141 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.828 3.801 12.447 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.019 2.312 12.236 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.247 1.085 12.399 1.00 0.00 C ATOM 1503 C ASP A 98 -0.761 1.344 12.175 1.00 0.00 C ATOM 1504 O ASP A 98 0.087 0.836 12.910 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.743 0.012 11.430 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.018 -0.656 11.907 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.857 0.036 12.519 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.175 -1.872 11.669 1.00 0.00 O ATOM 0 H ASP A 98 -3.936 2.180 11.810 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.385 0.731 13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.916 0.462 10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.967 -0.743 11.301 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.452 2.137 11.155 1.00 0.00 N ATOM 1514 CA LEU A 99 0.933 2.464 10.832 1.00 0.00 C ATOM 1515 C LEU A 99 1.372 3.739 11.543 1.00 0.00 C ATOM 1516 O LEU A 99 2.359 3.745 12.279 1.00 0.00 O ATOM 1517 CB LEU A 99 1.100 2.626 9.320 1.00 0.00 C ATOM 1518 CG LEU A 99 2.539 2.670 8.805 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.245 1.352 9.079 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.564 2.992 7.318 1.00 0.00 C ATOM 0 H LEU A 99 -1.141 2.566 10.537 1.00 0.00 H new ATOM 0 HA LEU A 99 1.563 1.644 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.584 1.802 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.598 3.544 9.015 1.00 0.00 H new ATOM 0 HG LEU A 99 3.070 3.460 9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.268 1.403 8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.260 1.163 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.714 0.544 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.596 3.019 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.016 2.225 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.098 3.963 7.148 1.00 0.00 H new ATOM 1532 N PHE A 100 0.630 4.820 11.322 1.00 0.00 N ATOM 1533 CA PHE A 100 0.941 6.101 11.943 1.00 0.00 C ATOM 1534 C PHE A 100 1.321 5.918 13.410 1.00 0.00 C ATOM 1535 O PHE A 100 2.396 6.334 13.839 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.253 7.052 11.829 1.00 0.00 C ATOM 1537 CG PHE A 100 0.045 8.448 12.294 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.986 9.226 11.638 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.614 8.983 13.389 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.261 10.511 12.063 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.343 10.267 13.819 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.597 11.033 13.156 1.00 0.00 C ATOM 0 H PHE A 100 -0.191 4.833 10.717 1.00 0.00 H new ATOM 0 HA PHE A 100 1.792 6.533 11.417 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.582 7.086 10.790 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.082 6.653 12.413 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.510 8.823 10.784 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.348 8.389 13.912 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.995 11.107 11.541 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.865 10.672 14.673 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.812 12.037 13.491 1.00 0.00 H new ATOM 1552 N GLU A 101 0.429 5.293 14.171 1.00 0.00 N ATOM 1553 CA GLU A 101 0.669 5.055 15.590 1.00 0.00 C ATOM 1554 C GLU A 101 1.063 3.602 15.839 1.00 0.00 C ATOM 1555 O GLU A 101 0.795 3.050 16.906 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.576 5.406 16.406 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.076 6.823 16.178 1.00 0.00 C ATOM 1558 CD GLU A 101 -1.763 7.403 17.399 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -1.268 7.173 18.523 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -2.794 8.086 17.231 1.00 0.00 O ATOM 0 H GLU A 101 -0.466 4.942 13.830 1.00 0.00 H new ATOM 0 HA GLU A 101 1.493 5.695 15.906 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.372 4.705 16.157 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.355 5.274 17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.236 7.460 15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.771 6.828 15.338 1.00 0.00 H new ATOM 1567 N SER A 102 1.699 2.989 14.846 1.00 0.00 N ATOM 1568 CA SER A 102 2.126 1.599 14.954 1.00 0.00 C ATOM 1569 C SER A 102 1.032 0.743 15.587 1.00 0.00 C ATOM 1570 O SER A 102 1.312 -0.278 16.216 1.00 0.00 O ATOM 1571 CB SER A 102 3.408 1.500 15.783 1.00 0.00 C ATOM 1572 OG SER A 102 3.159 1.793 17.147 1.00 0.00 O ATOM 0 H SER A 102 1.930 3.433 13.957 1.00 0.00 H new ATOM 0 HA SER A 102 2.321 1.226 13.949 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.825 0.497 15.694 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.153 2.192 15.390 1.00 0.00 H new ATOM 0 HG SER A 102 2.212 2.014 17.266 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.216 1.167 15.416 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.334 0.429 15.975 1.00 0.00 C ATOM 1580 C GLY A 103 -1.272 -1.050 15.649 1.00 0.00 C ATOM 1581 O GLY A 103 -1.716 -1.885 16.437 1.00 0.00 O ATOM 0 H GLY A 103 -0.473 2.009 14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.347 0.559 17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.267 0.844 15.593 1.00 0.00 H new ATOM 1585 N ASN A 104 -0.722 -1.376 14.485 1.00 0.00 N ATOM 1586 CA ASN A 104 -0.607 -2.765 14.055 1.00 0.00 C ATOM 1587 C ASN A 104 0.165 -2.867 12.744 1.00 0.00 C ATOM 1588 O ASN A 104 -0.357 -2.540 11.678 1.00 0.00 O ATOM 1589 CB ASN A 104 -1.995 -3.388 13.893 1.00 0.00 C ATOM 1590 CG ASN A 104 -2.000 -4.875 14.193 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.342 -5.679 13.191 1.00 0.00 O flip ATOM 1592 ND2 ASN A 104 -1.700 -5.296 15.309 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.348 -0.697 13.822 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.058 -3.312 14.822 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.696 -2.884 14.558 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.347 -3.224 12.874 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.444 -4.642 16.049 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.707 -6.299 15.495 1.00 0.00 H new ATOM 1599 N MET A 105 1.410 -3.324 12.829 1.00 0.00 N ATOM 1600 CA MET A 105 2.253 -3.471 11.649 1.00 0.00 C ATOM 1601 C MET A 105 1.738 -4.589 10.748 1.00 0.00 C ATOM 1602 O MET A 105 1.771 -4.478 9.522 1.00 0.00 O ATOM 1603 CB MET A 105 3.699 -3.758 12.060 1.00 0.00 C ATOM 1604 CG MET A 105 4.547 -2.505 12.213 1.00 0.00 C ATOM 1605 SD MET A 105 5.394 -2.051 10.687 1.00 0.00 S ATOM 1606 CE MET A 105 4.002 -1.680 9.623 1.00 0.00 C ATOM 0 H MET A 105 1.857 -3.599 13.703 1.00 0.00 H new ATOM 0 HA MET A 105 2.220 -2.535 11.092 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.699 -4.304 13.003 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.158 -4.409 11.315 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.913 -1.678 12.532 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.284 -2.663 13.000 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.345 -1.105 8.762 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.548 -2.610 9.281 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.265 -1.099 10.177 1.00 0.00 H new ATOM 1616 N THR A 106 1.261 -5.666 11.364 1.00 0.00 N ATOM 1617 CA THR A 106 0.741 -6.806 10.618 1.00 0.00 C ATOM 1618 C THR A 106 -0.336 -6.369 9.630 1.00 0.00 C ATOM 1619 O THR A 106 -0.288 -6.720 8.452 1.00 0.00 O ATOM 1620 CB THR A 106 0.154 -7.874 11.561 1.00 0.00 C ATOM 1621 OG1 THR A 106 0.954 -7.974 12.744 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.088 -9.227 10.870 1.00 0.00 C ATOM 0 H THR A 106 1.224 -5.773 12.378 1.00 0.00 H new ATOM 0 HA THR A 106 1.580 -7.237 10.071 1.00 0.00 H new ATOM 0 HB THR A 106 -0.858 -7.573 11.832 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.574 -8.653 13.339 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.330 -9.965 11.555 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.545 -9.153 9.986 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.091 -9.534 10.574 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.305 -5.602 10.119 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.394 -5.118 9.277 1.00 0.00 C ATOM 1632 C GLN A 107 -1.854 -4.493 7.995 1.00 0.00 C ATOM 1633 O GLN A 107 -2.355 -4.759 6.903 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.241 -4.098 10.039 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.414 -3.561 9.236 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.445 -4.628 8.924 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.435 -5.120 7.690 1.00 0.00 O flip ATOM 1638 NE2 GLN A 107 -6.241 -5.008 9.783 1.00 0.00 N flip ATOM 0 H GLN A 107 -1.359 -5.302 11.093 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.019 -5.970 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.617 -4.560 10.952 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.607 -3.265 10.342 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.890 -2.753 9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.046 -3.133 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.214 -4.603 10.719 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.928 -5.728 9.559 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.827 -3.659 8.136 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.218 -2.996 6.989 1.00 0.00 C ATOM 1649 C VAL A 108 0.709 -3.942 6.235 1.00 0.00 C ATOM 1650 O VAL A 108 1.045 -3.704 5.075 1.00 0.00 O ATOM 1651 CB VAL A 108 0.578 -1.750 7.419 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.244 -1.100 6.216 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.328 -0.760 8.136 1.00 0.00 C ATOM 0 H VAL A 108 -0.400 -3.427 9.033 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.032 -2.690 6.332 1.00 0.00 H new ATOM 0 HB VAL A 108 1.359 -2.061 8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.802 -0.221 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.926 -1.811 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.482 -0.801 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.251 0.114 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.132 -0.453 7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.753 -1.231 9.022 1.00 0.00 H new ATOM 1663 N GLN A 109 1.117 -5.018 6.901 1.00 0.00 N ATOM 1664 CA GLN A 109 2.006 -6.001 6.293 1.00 0.00 C ATOM 1665 C GLN A 109 1.288 -6.778 5.194 1.00 0.00 C ATOM 1666 O GLN A 109 1.774 -6.871 4.068 1.00 0.00 O ATOM 1667 CB GLN A 109 2.535 -6.967 7.354 1.00 0.00 C ATOM 1668 CG GLN A 109 3.462 -8.036 6.797 1.00 0.00 C ATOM 1669 CD GLN A 109 4.908 -7.583 6.743 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.225 -6.439 7.069 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.794 -8.482 6.331 1.00 0.00 N ATOM 0 H GLN A 109 0.846 -5.231 7.861 1.00 0.00 H new ATOM 0 HA GLN A 109 2.845 -5.467 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.067 -6.399 8.118 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.691 -7.450 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.389 -8.932 7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.133 -8.310 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.486 -9.419 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.782 -8.236 6.275 1.00 0.00 H new ATOM 1680 N VAL A 110 0.128 -7.334 5.531 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.657 -8.102 4.572 1.00 0.00 C ATOM 1682 C VAL A 110 -1.013 -7.261 3.352 1.00 0.00 C ATOM 1683 O VAL A 110 -0.911 -7.722 2.216 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.954 -8.636 5.210 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -1.635 -9.592 6.350 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.821 -7.485 5.697 1.00 0.00 C ATOM 0 H VAL A 110 -0.288 -7.267 6.460 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.039 -8.944 4.260 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.511 -9.186 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.563 -9.959 6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.057 -10.433 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.056 -9.070 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.733 -7.880 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.273 -6.906 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.079 -6.843 4.855 1.00 0.00 H new ATOM 1696 N SER A 111 -1.429 -6.022 3.596 1.00 0.00 N ATOM 1697 CA SER A 111 -1.803 -5.115 2.516 1.00 0.00 C ATOM 1698 C SER A 111 -0.702 -5.040 1.464 1.00 0.00 C ATOM 1699 O SER A 111 -0.975 -4.981 0.265 1.00 0.00 O ATOM 1700 CB SER A 111 -2.091 -3.719 3.072 1.00 0.00 C ATOM 1701 OG SER A 111 -2.955 -2.996 2.213 1.00 0.00 O ATOM 0 H SER A 111 -1.516 -5.623 4.531 1.00 0.00 H new ATOM 0 HA SER A 111 -2.705 -5.503 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.543 -3.804 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.156 -3.173 3.195 1.00 0.00 H new ATOM 0 HG SER A 111 -3.779 -3.507 2.072 1.00 0.00 H new ATOM 1707 N LEU A 112 0.545 -5.041 1.921 1.00 0.00 N ATOM 1708 CA LEU A 112 1.691 -4.974 1.021 1.00 0.00 C ATOM 1709 C LEU A 112 1.969 -6.333 0.389 1.00 0.00 C ATOM 1710 O LEU A 112 2.033 -6.461 -0.834 1.00 0.00 O ATOM 1711 CB LEU A 112 2.930 -4.486 1.774 1.00 0.00 C ATOM 1712 CG LEU A 112 2.804 -3.126 2.463 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.061 -2.812 3.259 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.531 -2.033 1.439 1.00 0.00 C ATOM 0 H LEU A 112 0.789 -5.088 2.910 1.00 0.00 H new ATOM 0 HA LEU A 112 1.455 -4.266 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.189 -5.230 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.763 -4.440 1.072 1.00 0.00 H new ATOM 0 HG LEU A 112 1.962 -3.167 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.953 -1.841 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.212 -3.580 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.920 -2.790 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.444 -1.072 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.352 -1.992 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.601 -2.251 0.913 1.00 0.00 H new ATOM 1726 N LEU A 113 2.131 -7.349 1.231 1.00 0.00 N ATOM 1727 CA LEU A 113 2.399 -8.701 0.755 1.00 0.00 C ATOM 1728 C LEU A 113 1.372 -9.125 -0.290 1.00 0.00 C ATOM 1729 O LEU A 113 1.657 -9.954 -1.154 1.00 0.00 O ATOM 1730 CB LEU A 113 2.388 -9.686 1.927 1.00 0.00 C ATOM 1731 CG LEU A 113 3.670 -9.753 2.759 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.440 -10.558 4.029 1.00 0.00 C ATOM 1733 CD2 LEU A 113 4.805 -10.354 1.942 1.00 0.00 C ATOM 0 H LEU A 113 2.081 -7.261 2.246 1.00 0.00 H new ATOM 0 HA LEU A 113 3.385 -8.708 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.562 -9.424 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.179 -10.682 1.537 1.00 0.00 H new ATOM 0 HG LEU A 113 3.951 -8.739 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.363 -10.595 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.657 -10.085 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.135 -11.571 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.709 -10.394 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.534 -11.362 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.986 -9.737 1.062 1.00 0.00 H new ATOM 1745 N ALA A 114 0.177 -8.550 -0.205 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.891 -8.865 -1.146 1.00 0.00 C ATOM 1747 C ALA A 114 -0.821 -7.966 -2.376 1.00 0.00 C ATOM 1748 O ALA A 114 -1.085 -8.407 -3.496 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.247 -8.732 -0.469 1.00 0.00 C ATOM 0 H ALA A 114 -0.076 -7.864 0.506 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.761 -9.896 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.035 -8.970 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.302 -9.420 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.377 -7.710 -0.112 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.465 -6.704 -2.161 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.361 -5.743 -3.254 1.00 0.00 C ATOM 1757 C LEU A 115 0.823 -6.071 -4.158 1.00 0.00 C ATOM 1758 O LEU A 115 0.780 -5.832 -5.364 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.216 -4.324 -2.699 1.00 0.00 C ATOM 1760 CG LEU A 115 0.365 -3.285 -3.658 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.742 -2.630 -4.470 1.00 0.00 C ATOM 1762 CD2 LEU A 115 1.157 -2.237 -2.891 1.00 0.00 C ATOM 0 H LEU A 115 -0.244 -6.323 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.274 -5.804 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.198 -3.980 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.417 -4.365 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 115 1.041 -3.792 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.309 -1.893 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.267 -3.390 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.444 -2.137 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.564 -1.505 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.502 -1.735 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.974 -2.719 -2.354 1.00 0.00 H new ATOM 1774 N ALA A 116 1.877 -6.623 -3.567 1.00 0.00 N ATOM 1775 CA ALA A 116 3.071 -6.988 -4.319 1.00 0.00 C ATOM 1776 C ALA A 116 2.818 -8.215 -5.188 1.00 0.00 C ATOM 1777 O ALA A 116 3.184 -8.242 -6.362 1.00 0.00 O ATOM 1778 CB ALA A 116 4.234 -7.240 -3.372 1.00 0.00 C ATOM 0 H ALA A 116 1.928 -6.827 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 116 3.326 -6.156 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.119 -7.512 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.438 -6.336 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.980 -8.053 -2.692 1.00 0.00 H new ATOM 1784 N GLY A 117 2.188 -9.230 -4.604 1.00 0.00 N ATOM 1785 CA GLY A 117 1.899 -10.446 -5.340 1.00 0.00 C ATOM 1786 C GLY A 117 1.161 -10.176 -6.637 1.00 0.00 C ATOM 1787 O GLY A 117 1.143 -11.018 -7.535 1.00 0.00 O ATOM 0 H GLY A 117 1.873 -9.231 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.832 -10.966 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.301 -11.111 -4.717 1.00 0.00 H new ATOM 1791 N LYS A 118 0.549 -9.001 -6.734 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.194 -8.622 -7.930 1.00 0.00 C ATOM 1793 C LYS A 118 0.610 -7.649 -8.785 1.00 0.00 C ATOM 1794 O LYS A 118 0.599 -7.731 -10.013 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.534 -7.991 -7.544 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.321 -7.461 -8.729 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.422 -6.511 -8.289 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.588 -7.260 -7.664 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.319 -8.085 -8.665 1.00 0.00 N ATOM 0 H LYS A 118 0.553 -8.294 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.378 -9.524 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.137 -8.732 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.353 -7.175 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.647 -6.946 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.757 -8.295 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.021 -5.796 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.774 -5.938 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.220 -7.902 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.276 -6.547 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.259 -8.330 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.426 -7.546 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.783 -8.956 -8.854 1.00 0.00 H new ATOM 1813 N ALA A 119 1.309 -6.728 -8.128 1.00 0.00 N ATOM 1814 CA ALA A 119 2.122 -5.742 -8.828 1.00 0.00 C ATOM 1815 C ALA A 119 3.301 -6.403 -9.533 1.00 0.00 C ATOM 1816 O ALA A 119 3.831 -5.873 -10.510 1.00 0.00 O ATOM 1817 CB ALA A 119 2.613 -4.678 -7.858 1.00 0.00 C ATOM 0 H ALA A 119 1.328 -6.645 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 119 1.500 -5.267 -9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.219 -3.948 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.758 -4.177 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.214 -5.146 -7.079 1.00 0.00 H new