USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 877 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 16 HIS : no HE2:sc=-0.00833 K(o=-1.4,f=-2) USER MOD Set 1.2: A 116 TYR OH : rot 134:sc= -1.35 USER MOD Set 2.1: A 89 ASN : amide:sc= -0.918! C(o=0.24!,f=-5.8!) USER MOD Set 2.2: A 94 ASN : amide:sc= 1.15 K(o=0.24,f=-2.6) USER MOD Set 3.1: A 59 ASN : amide:sc= 0.932 K(o=2.4,f=-4.4) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 157:sc= 1.46! (180deg=0.327) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 32 SER OG : rot -82:sc= 0.496 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -148:sc= 1.23 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00222 USER MOD Single : A 47 SER OG : rot 83:sc= 0.558 USER MOD Single : A 51 ASN : amide:sc= 0.514 K(o=0.51,f=-0.002) USER MOD Single : A 54 THR OG1 : rot -61:sc= 0.742 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0442 USER MOD Single : A 71 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.0088) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.891 K(o=-0.89,f=-4.1!) USER MOD Single : A 82 CYS SG : rot 141:sc= 0.138 USER MOD Single : A 85 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 1.14 K(o=1.1,f=-0.09) USER MOD Single : A 91 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.051) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 150:sc= -0.138 USER MOD Single : A 113 GLN :FLIP amide:sc= -1.72! C(o=-5.4!,f=-1.7!) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN :FLIP amide:sc= -1.22 F(o=-5.5!,f=-1.2) USER MOD Single : A 123 GLN : amide:sc= 1.21 K(o=1.2,f=-0.055) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.0616 F(o=-1.4!,f=-0.062) USER MOD Single : A 129 THR OG1 : rot -130:sc= 1.17 USER MOD Single : A 130 LYS NZ :NH3+ 138:sc= -0.0122 (180deg=-1.24) USER MOD Single : A 134 LYS NZ :NH3+ -146:sc= 0.325 (180deg=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.585 10.716 1.178 1.00 0.00 N ATOM 2 CA PRO A 1 3.503 9.726 0.688 1.00 0.00 C ATOM 3 C PRO A 1 4.898 10.245 0.892 1.00 0.00 C ATOM 4 O PRO A 1 5.060 11.343 1.416 1.00 0.00 O ATOM 5 CB PRO A 1 3.218 9.487 -0.779 1.00 0.00 C ATOM 6 CG PRO A 1 2.271 10.579 -1.136 1.00 0.00 C ATOM 7 CD PRO A 1 1.601 11.012 0.146 1.00 0.00 C ATOM 0 H2 PRO A 1 3.089 11.564 1.437 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.120 10.377 2.020 1.00 0.00 H new ATOM 0 HA PRO A 1 3.394 8.780 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.128 9.535 -1.377 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.778 8.504 -0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.799 11.414 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.534 10.230 -1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.350 12.073 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.671 10.468 0.314 1.00 0.00 H new ATOM 17 N VAL A 2 5.882 9.486 0.510 1.00 0.00 N ATOM 18 CA VAL A 2 7.260 9.889 0.650 1.00 0.00 C ATOM 19 C VAL A 2 7.633 10.834 -0.506 1.00 0.00 C ATOM 20 O VAL A 2 7.045 10.761 -1.603 1.00 0.00 O ATOM 21 CB VAL A 2 8.224 8.654 0.636 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.645 9.079 0.847 1.00 0.00 C ATOM 23 CG2 VAL A 2 7.844 7.612 1.671 1.00 0.00 C ATOM 0 H VAL A 2 5.756 8.565 0.090 1.00 0.00 H new ATOM 0 HA VAL A 2 7.369 10.396 1.609 1.00 0.00 H new ATOM 0 HB VAL A 2 8.126 8.198 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.293 8.203 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.942 9.763 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.735 9.581 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.543 6.777 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.881 8.057 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.834 7.253 1.472 1.00 0.00 H new ATOM 33 N THR A 3 8.550 11.720 -0.253 1.00 0.00 N ATOM 34 CA THR A 3 9.038 12.637 -1.229 1.00 0.00 C ATOM 35 C THR A 3 10.519 12.904 -0.921 1.00 0.00 C ATOM 36 O THR A 3 10.872 13.546 0.101 1.00 0.00 O ATOM 37 CB THR A 3 8.163 13.937 -1.248 1.00 0.00 C ATOM 38 OG1 THR A 3 8.716 14.945 -2.103 1.00 0.00 O ATOM 39 CG2 THR A 3 7.925 14.497 0.164 1.00 0.00 C ATOM 0 H THR A 3 8.988 11.824 0.662 1.00 0.00 H new ATOM 0 HA THR A 3 8.965 12.222 -2.234 1.00 0.00 H new ATOM 0 HB THR A 3 7.196 13.645 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.141 15.738 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.314 15.397 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.410 13.751 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.882 14.740 0.625 1.00 0.00 H new ATOM 228 N HIS A 16 10.177 11.299 4.519 1.00 0.00 N ATOM 229 CA HIS A 16 9.276 10.196 4.530 1.00 0.00 C ATOM 230 C HIS A 16 8.081 10.690 5.263 1.00 0.00 C ATOM 231 O HIS A 16 8.209 11.105 6.421 1.00 0.00 O ATOM 232 CB HIS A 16 9.873 8.966 5.240 1.00 0.00 C ATOM 233 CG HIS A 16 11.095 8.401 4.564 1.00 0.00 C ATOM 234 ND1 HIS A 16 12.374 8.706 4.939 1.00 0.00 N ATOM 235 CD2 HIS A 16 11.211 7.548 3.524 1.00 0.00 C ATOM 236 CE1 HIS A 16 13.222 8.068 4.156 1.00 0.00 C ATOM 237 NE2 HIS A 16 12.542 7.359 3.282 1.00 0.00 N ATOM 0 HA HIS A 16 9.045 9.866 3.517 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.130 9.239 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 16 9.111 8.189 5.300 1.00 0.00 H new ATOM 0 HD1 HIS A 16 12.632 9.329 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 16 10.396 7.095 2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 16 14.299 8.119 4.222 1.00 0.00 H new ATOM 246 N ASN A 17 6.939 10.633 4.667 1.00 0.00 N ATOM 247 CA ASN A 17 5.726 11.207 5.211 1.00 0.00 C ATOM 248 C ASN A 17 4.633 10.215 5.005 1.00 0.00 C ATOM 249 O ASN A 17 4.734 9.396 4.084 1.00 0.00 O ATOM 250 CB ASN A 17 5.345 12.507 4.475 1.00 0.00 C ATOM 251 CG ASN A 17 6.301 13.679 4.686 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.954 13.812 5.735 1.00 0.00 O ATOM 253 ND2 ASN A 17 6.373 14.547 3.709 1.00 0.00 N ATOM 0 H ASN A 17 6.805 10.177 3.764 1.00 0.00 H new ATOM 0 HA ASN A 17 5.878 11.440 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.284 12.296 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.349 12.809 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.979 15.363 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.823 14.407 2.861 1.00 0.00 H new ATOM 260 N GLY A 18 3.599 10.284 5.805 1.00 0.00 N ATOM 261 CA GLY A 18 2.509 9.346 5.685 1.00 0.00 C ATOM 262 C GLY A 18 1.585 9.718 4.558 1.00 0.00 C ATOM 263 O GLY A 18 1.857 9.423 3.394 1.00 0.00 O ATOM 0 H GLY A 18 3.488 10.977 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.906 8.345 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.950 9.314 6.620 1.00 0.00 H new ATOM 267 N PHE A 19 0.519 10.388 4.871 1.00 0.00 N ATOM 268 CA PHE A 19 -0.411 10.818 3.863 1.00 0.00 C ATOM 269 C PHE A 19 -0.893 12.210 4.077 1.00 0.00 C ATOM 270 O PHE A 19 -1.092 12.667 5.206 1.00 0.00 O ATOM 271 CB PHE A 19 -1.628 9.901 3.737 1.00 0.00 C ATOM 272 CG PHE A 19 -1.383 8.667 2.937 1.00 0.00 C ATOM 273 CD1 PHE A 19 -1.433 8.728 1.552 1.00 0.00 C ATOM 274 CD2 PHE A 19 -1.101 7.462 3.543 1.00 0.00 C ATOM 275 CE1 PHE A 19 -1.208 7.605 0.792 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.875 6.336 2.784 1.00 0.00 C ATOM 277 CZ PHE A 19 -0.932 6.410 1.407 1.00 0.00 C ATOM 0 H PHE A 19 0.267 10.652 5.823 1.00 0.00 H new ATOM 0 HA PHE A 19 0.163 10.774 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.957 9.614 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.445 10.460 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.651 9.667 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.057 7.401 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.248 7.663 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.653 5.395 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.759 5.525 0.812 1.00 0.00 H new ATOM 287 N ASP A 20 -1.045 12.883 2.980 1.00 0.00 N ATOM 288 CA ASP A 20 -1.715 14.143 2.924 1.00 0.00 C ATOM 289 C ASP A 20 -3.155 13.822 3.157 1.00 0.00 C ATOM 290 O ASP A 20 -3.660 12.830 2.571 1.00 0.00 O ATOM 291 CB ASP A 20 -1.578 14.755 1.521 1.00 0.00 C ATOM 292 CG ASP A 20 -0.151 15.059 1.117 1.00 0.00 C ATOM 293 OD1 ASP A 20 0.630 14.111 0.895 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.213 16.260 1.004 1.00 0.00 O ATOM 0 H ASP A 20 -0.698 12.563 2.076 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.306 14.848 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.012 14.070 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.160 15.675 1.479 1.00 0.00 H new ATOM 299 N PHE A 21 -3.849 14.604 3.961 1.00 0.00 N ATOM 300 CA PHE A 21 -5.218 14.259 4.266 1.00 0.00 C ATOM 301 C PHE A 21 -6.082 14.396 3.041 1.00 0.00 C ATOM 302 O PHE A 21 -7.064 13.723 2.928 1.00 0.00 O ATOM 303 CB PHE A 21 -5.810 15.028 5.445 1.00 0.00 C ATOM 304 CG PHE A 21 -7.152 14.471 5.860 1.00 0.00 C ATOM 305 CD1 PHE A 21 -7.232 13.188 6.370 1.00 0.00 C ATOM 306 CD2 PHE A 21 -8.321 15.209 5.722 1.00 0.00 C ATOM 307 CE1 PHE A 21 -8.437 12.640 6.734 1.00 0.00 C ATOM 308 CE2 PHE A 21 -9.537 14.666 6.092 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.596 13.378 6.598 1.00 0.00 C ATOM 0 H PHE A 21 -3.500 15.455 4.401 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.201 13.216 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.122 14.986 6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.920 16.078 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.329 12.606 6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.279 16.212 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.478 11.634 7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.442 15.246 5.987 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.546 12.952 6.885 1.00 0.00 H new ATOM 319 N ALA A 22 -5.682 15.261 2.121 1.00 0.00 N ATOM 320 CA ALA A 22 -6.349 15.424 0.837 1.00 0.00 C ATOM 321 C ALA A 22 -6.588 14.062 0.163 1.00 0.00 C ATOM 322 O ALA A 22 -7.667 13.812 -0.360 1.00 0.00 O ATOM 323 CB ALA A 22 -5.529 16.325 -0.068 1.00 0.00 C ATOM 0 H ALA A 22 -4.878 15.876 2.246 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.319 15.889 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.038 16.439 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.413 17.302 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.547 15.881 -0.230 1.00 0.00 H new ATOM 329 N VAL A 23 -5.590 13.197 0.220 1.00 0.00 N ATOM 330 CA VAL A 23 -5.672 11.855 -0.346 1.00 0.00 C ATOM 331 C VAL A 23 -6.673 10.993 0.441 1.00 0.00 C ATOM 332 O VAL A 23 -7.594 10.413 -0.136 1.00 0.00 O ATOM 333 CB VAL A 23 -4.279 11.170 -0.319 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.329 9.785 -0.958 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.243 12.049 -1.015 1.00 0.00 C ATOM 0 H VAL A 23 -4.694 13.404 0.662 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.012 11.947 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.985 11.042 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.338 9.332 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.034 9.158 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.651 9.874 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.271 11.556 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.540 12.210 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.177 13.009 -0.503 1.00 0.00 H new ATOM 345 N ILE A 24 -6.440 10.898 1.732 1.00 0.00 N ATOM 346 CA ILE A 24 -7.321 10.123 2.638 1.00 0.00 C ATOM 347 C ILE A 24 -8.798 10.571 2.468 1.00 0.00 C ATOM 348 O ILE A 24 -9.697 9.764 2.310 1.00 0.00 O ATOM 349 CB ILE A 24 -6.902 10.296 4.123 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.420 9.921 4.318 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.796 9.446 5.028 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.921 10.099 5.743 1.00 0.00 C ATOM 0 H ILE A 24 -5.649 11.343 2.198 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.222 9.071 2.369 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.026 11.344 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.276 8.882 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.810 10.531 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.492 9.576 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.834 9.759 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.701 8.396 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.870 9.815 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.031 11.142 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.504 9.468 6.414 1.00 0.00 H new ATOM 364 N LYS A 25 -8.975 11.862 2.437 1.00 0.00 N ATOM 365 CA LYS A 25 -10.248 12.548 2.266 1.00 0.00 C ATOM 366 C LYS A 25 -10.891 12.138 0.950 1.00 0.00 C ATOM 367 O LYS A 25 -12.067 11.798 0.907 1.00 0.00 O ATOM 368 CB LYS A 25 -9.963 14.044 2.241 1.00 0.00 C ATOM 369 CG LYS A 25 -11.154 14.950 2.114 1.00 0.00 C ATOM 370 CD LYS A 25 -10.703 16.370 1.851 1.00 0.00 C ATOM 371 CE LYS A 25 -10.214 16.527 0.413 1.00 0.00 C ATOM 372 NZ LYS A 25 -9.955 17.937 0.086 1.00 0.00 N ATOM 0 H LYS A 25 -8.195 12.512 2.535 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.927 12.291 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.431 14.306 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.288 14.249 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.796 14.608 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.748 14.912 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.528 17.058 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.904 16.636 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.303 15.946 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.959 16.124 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.624 18.010 -0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.831 18.486 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.226 18.313 0.725 1.00 0.00 H new ATOM 386 N GLU A 26 -10.095 12.181 -0.102 1.00 0.00 N ATOM 387 CA GLU A 26 -10.499 11.793 -1.443 1.00 0.00 C ATOM 388 C GLU A 26 -11.076 10.378 -1.441 1.00 0.00 C ATOM 389 O GLU A 26 -12.263 10.170 -1.753 1.00 0.00 O ATOM 390 CB GLU A 26 -9.269 11.867 -2.368 1.00 0.00 C ATOM 391 CG GLU A 26 -9.474 11.362 -3.788 1.00 0.00 C ATOM 392 CD GLU A 26 -10.455 12.175 -4.551 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.057 13.206 -5.120 1.00 0.00 O ATOM 394 OE2 GLU A 26 -11.626 11.817 -4.602 1.00 0.00 O ATOM 0 H GLU A 26 -9.126 12.494 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.274 12.470 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.937 12.904 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.461 11.294 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.518 11.367 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.814 10.327 -3.755 1.00 0.00 H new ATOM 401 N LEU A 27 -10.244 9.425 -1.044 1.00 0.00 N ATOM 402 CA LEU A 27 -10.634 8.032 -1.084 1.00 0.00 C ATOM 403 C LEU A 27 -11.784 7.745 -0.104 1.00 0.00 C ATOM 404 O LEU A 27 -12.604 6.886 -0.353 1.00 0.00 O ATOM 405 CB LEU A 27 -9.426 7.107 -0.857 1.00 0.00 C ATOM 406 CG LEU A 27 -9.630 5.640 -1.236 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.061 5.538 -2.671 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.345 4.865 -1.037 1.00 0.00 C ATOM 0 H LEU A 27 -9.301 9.594 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.012 7.817 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.582 7.496 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.148 7.155 0.196 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.404 5.218 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.204 4.490 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.998 6.078 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.294 5.972 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.503 3.822 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.563 5.290 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.043 4.924 0.009 1.00 0.00 H new ATOM 420 N LYS A 28 -11.869 8.522 0.988 1.00 0.00 N ATOM 421 CA LYS A 28 -12.965 8.384 1.964 1.00 0.00 C ATOM 422 C LYS A 28 -14.291 8.869 1.372 1.00 0.00 C ATOM 423 O LYS A 28 -15.374 8.311 1.660 1.00 0.00 O ATOM 424 CB LYS A 28 -12.667 9.161 3.249 1.00 0.00 C ATOM 425 CG LYS A 28 -13.733 8.999 4.326 1.00 0.00 C ATOM 426 CD LYS A 28 -13.443 9.836 5.562 1.00 0.00 C ATOM 427 CE LYS A 28 -13.532 11.327 5.265 1.00 0.00 C ATOM 428 NZ LYS A 28 -13.353 12.141 6.482 1.00 0.00 N ATOM 0 H LYS A 28 -11.194 9.251 1.218 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.048 7.324 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.708 8.831 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.565 10.219 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.703 9.283 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.802 7.949 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.151 9.579 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.448 9.598 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.772 11.597 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.500 11.551 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.420 13.150 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.093 11.901 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.419 11.946 6.895 1.00 0.00 H new ATOM 442 N THR A 29 -14.216 9.894 0.560 1.00 0.00 N ATOM 443 CA THR A 29 -15.386 10.414 -0.081 1.00 0.00 C ATOM 444 C THR A 29 -15.943 9.362 -1.054 1.00 0.00 C ATOM 445 O THR A 29 -17.119 9.020 -0.991 1.00 0.00 O ATOM 446 CB THR A 29 -15.098 11.758 -0.791 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.495 12.655 0.157 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.390 12.397 -1.293 1.00 0.00 C ATOM 0 H THR A 29 -13.351 10.383 0.330 1.00 0.00 H new ATOM 0 HA THR A 29 -16.140 10.624 0.677 1.00 0.00 H new ATOM 0 HB THR A 29 -14.439 11.571 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.593 12.341 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.161 13.341 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.877 11.725 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.056 12.582 -0.450 1.00 0.00 H new ATOM 456 N ALA A 30 -15.079 8.806 -1.910 1.00 0.00 N ATOM 457 CA ALA A 30 -15.472 7.769 -2.799 1.00 0.00 C ATOM 458 C ALA A 30 -15.886 6.519 -2.035 1.00 0.00 C ATOM 459 O ALA A 30 -16.741 5.807 -2.459 1.00 0.00 O ATOM 460 CB ALA A 30 -14.345 7.466 -3.753 1.00 0.00 C ATOM 0 H ALA A 30 -14.099 9.078 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.338 8.106 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.648 6.671 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.103 8.361 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.468 7.147 -3.190 1.00 0.00 H new ATOM 466 N ALA A 31 -15.233 6.241 -0.950 1.00 0.00 N ATOM 467 CA ALA A 31 -15.578 5.118 -0.082 1.00 0.00 C ATOM 468 C ALA A 31 -17.055 5.118 0.303 1.00 0.00 C ATOM 469 O ALA A 31 -17.750 4.111 0.147 1.00 0.00 O ATOM 470 CB ALA A 31 -14.794 5.202 1.180 1.00 0.00 C ATOM 0 H ALA A 31 -14.433 6.783 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.353 4.209 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.053 4.363 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.729 5.167 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.025 6.137 1.690 1.00 0.00 H new ATOM 476 N SER A 32 -17.519 6.243 0.783 1.00 0.00 N ATOM 477 CA SER A 32 -18.853 6.346 1.309 1.00 0.00 C ATOM 478 C SER A 32 -19.913 6.523 0.215 1.00 0.00 C ATOM 479 O SER A 32 -21.059 6.100 0.373 1.00 0.00 O ATOM 480 CB SER A 32 -18.886 7.489 2.330 1.00 0.00 C ATOM 481 OG SER A 32 -18.293 8.673 1.781 1.00 0.00 O ATOM 0 H SER A 32 -16.983 7.110 0.820 1.00 0.00 H new ATOM 0 HA SER A 32 -19.109 5.407 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.916 7.693 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.352 7.193 3.233 1.00 0.00 H new ATOM 0 HG SER A 32 -17.318 8.622 1.870 1.00 0.00 H new ATOM 487 N GLN A 33 -19.538 7.148 -0.875 1.00 0.00 N ATOM 488 CA GLN A 33 -20.440 7.451 -1.981 1.00 0.00 C ATOM 489 C GLN A 33 -20.430 6.370 -3.059 1.00 0.00 C ATOM 490 O GLN A 33 -21.467 5.938 -3.552 1.00 0.00 O ATOM 491 CB GLN A 33 -19.976 8.744 -2.612 1.00 0.00 C ATOM 492 CG GLN A 33 -19.996 9.925 -1.710 1.00 0.00 C ATOM 493 CD GLN A 33 -21.362 10.422 -1.495 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.069 10.033 -0.552 1.00 0.00 O ATOM 495 NE2 GLN A 33 -21.757 11.274 -2.371 1.00 0.00 N ATOM 0 H GLN A 33 -18.582 7.470 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.453 7.517 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.960 8.606 -2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.605 8.955 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.551 9.658 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.383 10.719 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.131 11.557 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.696 11.668 -2.312 1.00 0.00 H new ATOM 504 N TYR A 34 -19.252 5.966 -3.417 1.00 0.00 N ATOM 505 CA TYR A 34 -19.013 5.105 -4.559 1.00 0.00 C ATOM 506 C TYR A 34 -18.808 3.650 -4.174 1.00 0.00 C ATOM 507 O TYR A 34 -19.319 2.763 -4.846 1.00 0.00 O ATOM 508 CB TYR A 34 -17.845 5.704 -5.390 1.00 0.00 C ATOM 509 CG TYR A 34 -18.295 6.906 -6.194 1.00 0.00 C ATOM 510 CD1 TYR A 34 -18.308 8.168 -5.631 1.00 0.00 C ATOM 511 CD2 TYR A 34 -18.774 6.765 -7.490 1.00 0.00 C ATOM 512 CE1 TYR A 34 -18.777 9.256 -6.317 1.00 0.00 C ATOM 513 CE2 TYR A 34 -19.235 7.858 -8.198 1.00 0.00 C ATOM 514 CZ TYR A 34 -19.238 9.099 -7.603 1.00 0.00 C ATOM 515 OH TYR A 34 -19.730 10.190 -8.287 1.00 0.00 O ATOM 0 H TYR A 34 -18.401 6.226 -2.918 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.905 5.078 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.034 5.995 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.448 4.943 -6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.939 8.299 -4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.786 5.788 -7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.785 10.231 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -19.590 7.740 -9.211 1.00 0.00 H new ATOM 0 HH TYR A 34 -20.015 9.913 -9.183 1.00 0.00 H new ATOM 525 N GLY A 35 -18.102 3.401 -3.097 1.00 0.00 N ATOM 526 CA GLY A 35 -17.860 2.038 -2.675 1.00 0.00 C ATOM 527 C GLY A 35 -16.730 1.401 -3.438 1.00 0.00 C ATOM 528 O GLY A 35 -16.482 1.752 -4.595 1.00 0.00 O ATOM 0 H GLY A 35 -17.687 4.116 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.630 2.024 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.767 1.450 -2.813 1.00 0.00 H new ATOM 532 N ALA A 36 -16.102 0.393 -2.856 1.00 0.00 N ATOM 533 CA ALA A 36 -14.908 -0.171 -3.453 1.00 0.00 C ATOM 534 C ALA A 36 -15.260 -1.277 -4.394 1.00 0.00 C ATOM 535 O ALA A 36 -15.404 -2.402 -4.004 1.00 0.00 O ATOM 536 CB ALA A 36 -13.910 -0.611 -2.420 1.00 0.00 C ATOM 0 H ALA A 36 -16.395 -0.045 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.424 0.618 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.033 -1.027 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.613 0.245 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.359 -1.371 -1.780 1.00 0.00 H new ATOM 542 N THR A 37 -15.361 -0.903 -5.635 1.00 0.00 N ATOM 543 CA THR A 37 -15.797 -1.719 -6.748 1.00 0.00 C ATOM 544 C THR A 37 -16.161 -0.751 -7.869 1.00 0.00 C ATOM 545 O THR A 37 -15.979 -1.041 -9.047 1.00 0.00 O ATOM 546 CB THR A 37 -17.001 -2.684 -6.411 1.00 0.00 C ATOM 547 OG1 THR A 37 -17.388 -3.448 -7.553 1.00 0.00 O ATOM 548 CG2 THR A 37 -18.193 -1.948 -5.882 1.00 0.00 C ATOM 0 H THR A 37 -15.126 0.046 -5.925 1.00 0.00 H new ATOM 0 HA THR A 37 -14.991 -2.396 -7.033 1.00 0.00 H new ATOM 0 HB THR A 37 -16.641 -3.354 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.134 -4.037 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.992 -2.657 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.919 -1.421 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 37 -18.537 -1.229 -6.626 1.00 0.00 H new ATOM 556 N ALA A 38 -16.642 0.435 -7.478 1.00 0.00 N ATOM 557 CA ALA A 38 -16.884 1.499 -8.411 1.00 0.00 C ATOM 558 C ALA A 38 -15.545 2.008 -8.911 1.00 0.00 C ATOM 559 O ALA A 38 -14.702 2.397 -8.094 1.00 0.00 O ATOM 560 CB ALA A 38 -17.663 2.621 -7.748 1.00 0.00 C ATOM 0 H ALA A 38 -16.867 0.666 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.478 1.131 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.837 3.419 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.620 2.239 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.092 3.012 -6.906 1.00 0.00 H new ATOM 566 N PRO A 39 -15.327 1.995 -10.254 1.00 0.00 N ATOM 567 CA PRO A 39 -14.058 2.355 -10.914 1.00 0.00 C ATOM 568 C PRO A 39 -13.299 3.538 -10.298 1.00 0.00 C ATOM 569 O PRO A 39 -12.081 3.482 -10.155 1.00 0.00 O ATOM 570 CB PRO A 39 -14.477 2.702 -12.348 1.00 0.00 C ATOM 571 CG PRO A 39 -15.948 2.429 -12.443 1.00 0.00 C ATOM 572 CD PRO A 39 -16.314 1.591 -11.262 1.00 0.00 C ATOM 0 HA PRO A 39 -13.355 1.527 -10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.262 3.747 -12.572 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.924 2.100 -13.069 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.514 3.361 -12.445 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.185 1.910 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.334 1.785 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.249 0.526 -11.487 1.00 0.00 H new ATOM 580 N TYR A 40 -14.020 4.575 -9.922 1.00 0.00 N ATOM 581 CA TYR A 40 -13.424 5.782 -9.380 1.00 0.00 C ATOM 582 C TYR A 40 -12.541 5.497 -8.160 1.00 0.00 C ATOM 583 O TYR A 40 -11.344 5.774 -8.186 1.00 0.00 O ATOM 584 CB TYR A 40 -14.520 6.813 -9.035 1.00 0.00 C ATOM 585 CG TYR A 40 -14.016 8.138 -8.478 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.362 9.058 -9.289 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.204 8.469 -7.146 1.00 0.00 C ATOM 588 CE1 TYR A 40 -12.914 10.264 -8.781 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.767 9.675 -6.636 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.122 10.567 -7.459 1.00 0.00 C ATOM 591 OH TYR A 40 -12.706 11.782 -6.960 1.00 0.00 O ATOM 0 H TYR A 40 -15.038 4.606 -9.983 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.775 6.199 -10.150 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.102 7.014 -9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.199 6.367 -8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.201 8.828 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.703 7.769 -6.493 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.402 10.965 -9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.931 9.916 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.446 11.678 -6.021 1.00 0.00 H new ATOM 601 N THR A 41 -13.115 4.914 -7.101 1.00 0.00 N ATOM 602 CA THR A 41 -12.422 4.718 -5.856 1.00 0.00 C ATOM 603 C THR A 41 -11.192 3.808 -6.011 1.00 0.00 C ATOM 604 O THR A 41 -10.150 4.097 -5.456 1.00 0.00 O ATOM 605 CB THR A 41 -13.387 4.213 -4.735 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.808 4.353 -3.440 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.743 2.783 -4.931 1.00 0.00 C ATOM 0 H THR A 41 -14.075 4.570 -7.100 1.00 0.00 H new ATOM 0 HA THR A 41 -12.047 5.693 -5.544 1.00 0.00 H new ATOM 0 HB THR A 41 -14.283 4.830 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.438 4.029 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.415 2.463 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.237 2.660 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.838 2.176 -4.908 1.00 0.00 H new ATOM 615 N LEU A 42 -11.276 2.752 -6.805 1.00 0.00 N ATOM 616 CA LEU A 42 -10.117 1.904 -6.933 1.00 0.00 C ATOM 617 C LEU A 42 -9.072 2.445 -7.838 1.00 0.00 C ATOM 618 O LEU A 42 -7.928 2.104 -7.686 1.00 0.00 O ATOM 619 CB LEU A 42 -10.338 0.372 -7.058 1.00 0.00 C ATOM 620 CG LEU A 42 -11.405 -0.177 -8.011 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.765 0.001 -7.412 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.332 0.452 -9.397 1.00 0.00 C ATOM 0 H LEU A 42 -12.096 2.475 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.710 1.961 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.385 -0.069 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.570 -0.004 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.208 -1.241 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.518 -0.392 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.819 -0.536 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.950 1.061 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.110 0.027 -10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.478 1.529 -9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.355 0.251 -9.837 1.00 0.00 H new ATOM 634 N ALA A 43 -9.452 3.333 -8.749 1.00 0.00 N ATOM 635 CA ALA A 43 -8.472 4.027 -9.568 1.00 0.00 C ATOM 636 C ALA A 43 -7.603 4.867 -8.659 1.00 0.00 C ATOM 637 O ALA A 43 -6.404 5.040 -8.875 1.00 0.00 O ATOM 638 CB ALA A 43 -9.152 4.896 -10.601 1.00 0.00 C ATOM 0 H ALA A 43 -10.422 3.586 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.861 3.301 -10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.398 5.405 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.772 4.275 -11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.777 5.635 -10.100 1.00 0.00 H new ATOM 644 N ILE A 44 -8.221 5.349 -7.611 1.00 0.00 N ATOM 645 CA ILE A 44 -7.529 6.092 -6.591 1.00 0.00 C ATOM 646 C ILE A 44 -6.668 5.114 -5.750 1.00 0.00 C ATOM 647 O ILE A 44 -5.564 5.441 -5.397 1.00 0.00 O ATOM 648 CB ILE A 44 -8.540 6.847 -5.699 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.412 7.733 -6.582 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.823 7.709 -4.657 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.636 8.266 -5.912 1.00 0.00 C ATOM 0 H ILE A 44 -9.220 5.237 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.876 6.833 -7.053 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.153 6.117 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.813 8.572 -6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.714 7.163 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.560 8.228 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.206 7.074 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.192 8.440 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.195 8.885 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.261 7.436 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.346 8.867 -5.050 1.00 0.00 H new ATOM 663 N VAL A 45 -7.188 3.897 -5.471 1.00 0.00 N ATOM 664 CA VAL A 45 -6.404 2.836 -4.737 1.00 0.00 C ATOM 665 C VAL A 45 -5.108 2.516 -5.519 1.00 0.00 C ATOM 666 O VAL A 45 -3.994 2.438 -4.946 1.00 0.00 O ATOM 667 CB VAL A 45 -7.220 1.494 -4.545 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.380 0.418 -3.861 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.486 1.717 -3.739 1.00 0.00 C ATOM 0 H VAL A 45 -8.132 3.612 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.180 3.236 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.490 1.155 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.974 -0.489 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.501 0.202 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.065 0.772 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.018 0.772 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.227 2.104 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.124 2.435 -4.255 1.00 0.00 H new ATOM 679 N GLU A 46 -5.268 2.377 -6.831 1.00 0.00 N ATOM 680 CA GLU A 46 -4.164 2.133 -7.756 1.00 0.00 C ATOM 681 C GLU A 46 -3.119 3.238 -7.581 1.00 0.00 C ATOM 682 O GLU A 46 -1.935 2.971 -7.394 1.00 0.00 O ATOM 683 CB GLU A 46 -4.690 2.198 -9.192 1.00 0.00 C ATOM 684 CG GLU A 46 -5.812 1.223 -9.515 1.00 0.00 C ATOM 685 CD GLU A 46 -5.367 -0.141 -9.942 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.068 -0.979 -9.093 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.385 -0.426 -11.161 1.00 0.00 O ATOM 0 H GLU A 46 -6.178 2.431 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.726 1.155 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.043 3.211 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.861 2.012 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.448 1.122 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.428 1.651 -10.306 1.00 0.00 H new ATOM 694 N SER A 47 -3.604 4.471 -7.579 1.00 0.00 N ATOM 695 CA SER A 47 -2.783 5.643 -7.487 1.00 0.00 C ATOM 696 C SER A 47 -2.165 5.860 -6.095 1.00 0.00 C ATOM 697 O SER A 47 -1.043 6.333 -6.003 1.00 0.00 O ATOM 698 CB SER A 47 -3.571 6.859 -7.943 1.00 0.00 C ATOM 699 OG SER A 47 -3.992 6.688 -9.300 1.00 0.00 O ATOM 0 H SER A 47 -4.601 4.676 -7.643 1.00 0.00 H new ATOM 0 HA SER A 47 -1.934 5.490 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.439 7.002 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.957 7.755 -7.854 1.00 0.00 H new ATOM 0 HG SER A 47 -4.815 6.157 -9.323 1.00 0.00 H new ATOM 705 N VAL A 48 -2.870 5.500 -5.020 1.00 0.00 N ATOM 706 CA VAL A 48 -2.333 5.709 -3.678 1.00 0.00 C ATOM 707 C VAL A 48 -1.110 4.842 -3.434 1.00 0.00 C ATOM 708 O VAL A 48 -0.115 5.312 -2.889 1.00 0.00 O ATOM 709 CB VAL A 48 -3.375 5.571 -2.503 1.00 0.00 C ATOM 710 CG1 VAL A 48 -4.526 6.543 -2.662 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.890 4.153 -2.337 1.00 0.00 C ATOM 0 H VAL A 48 -3.795 5.071 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.040 6.759 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.835 5.824 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.224 6.419 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.143 7.563 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.040 6.347 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.604 4.119 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.381 3.834 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.055 3.486 -2.122 1.00 0.00 H new ATOM 721 N ALA A 49 -1.146 3.615 -3.925 1.00 0.00 N ATOM 722 CA ALA A 49 -0.028 2.703 -3.758 1.00 0.00 C ATOM 723 C ALA A 49 0.950 2.836 -4.927 1.00 0.00 C ATOM 724 O ALA A 49 1.876 2.047 -5.065 1.00 0.00 O ATOM 725 CB ALA A 49 -0.526 1.267 -3.631 1.00 0.00 C ATOM 0 H ALA A 49 -1.936 3.228 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 49 0.499 2.964 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.324 0.597 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.183 1.185 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.076 0.992 -4.531 1.00 0.00 H new ATOM 731 N ASP A 50 0.716 3.836 -5.770 1.00 0.00 N ATOM 732 CA ASP A 50 1.572 4.132 -6.943 1.00 0.00 C ATOM 733 C ASP A 50 2.651 5.126 -6.521 1.00 0.00 C ATOM 734 O ASP A 50 3.492 5.584 -7.305 1.00 0.00 O ATOM 735 CB ASP A 50 0.695 4.724 -8.079 1.00 0.00 C ATOM 736 CG ASP A 50 1.421 5.002 -9.389 1.00 0.00 C ATOM 737 OD1 ASP A 50 1.623 4.052 -10.188 1.00 0.00 O ATOM 738 OD2 ASP A 50 1.772 6.180 -9.665 1.00 0.00 O ATOM 0 H ASP A 50 -0.073 4.474 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 50 2.048 3.223 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.126 4.035 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.251 5.655 -7.725 1.00 0.00 H new ATOM 743 N ASN A 51 2.621 5.438 -5.257 1.00 0.00 N ATOM 744 CA ASN A 51 3.564 6.376 -4.657 1.00 0.00 C ATOM 745 C ASN A 51 4.577 5.615 -3.841 1.00 0.00 C ATOM 746 O ASN A 51 4.516 4.394 -3.738 1.00 0.00 O ATOM 747 CB ASN A 51 2.849 7.349 -3.689 1.00 0.00 C ATOM 748 CG ASN A 51 1.800 8.230 -4.321 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.087 9.320 -4.813 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.572 7.798 -4.262 1.00 0.00 N ATOM 0 H ASN A 51 1.943 5.054 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 51 4.032 6.933 -5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.381 6.767 -2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.599 7.985 -3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.188 8.369 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.371 6.888 -3.847 1.00 0.00 H new ATOM 757 N TRP A 52 5.499 6.339 -3.248 1.00 0.00 N ATOM 758 CA TRP A 52 6.405 5.768 -2.281 1.00 0.00 C ATOM 759 C TRP A 52 5.710 5.767 -0.925 1.00 0.00 C ATOM 760 O TRP A 52 5.339 6.844 -0.409 1.00 0.00 O ATOM 761 CB TRP A 52 7.671 6.593 -2.136 1.00 0.00 C ATOM 762 CG TRP A 52 8.650 6.554 -3.258 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.829 5.577 -4.191 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.652 7.524 -3.489 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.887 5.899 -5.009 1.00 0.00 N ATOM 766 CE2 TRP A 52 10.411 7.105 -4.587 1.00 0.00 C ATOM 767 CE3 TRP A 52 9.970 8.722 -2.865 1.00 0.00 C ATOM 768 CZ2 TRP A 52 11.487 7.858 -5.068 1.00 0.00 C ATOM 769 CZ3 TRP A 52 11.017 9.452 -3.337 1.00 0.00 C ATOM 770 CH2 TRP A 52 11.767 9.040 -4.413 1.00 0.00 C ATOM 0 H TRP A 52 5.641 7.334 -3.422 1.00 0.00 H new ATOM 0 HA TRP A 52 6.672 4.766 -2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.379 7.632 -1.980 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.183 6.266 -1.231 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.229 4.683 -4.276 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.226 5.342 -5.793 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.396 9.069 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.072 7.529 -5.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.266 10.384 -2.851 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.590 9.652 -4.752 1.00 0.00 H new ATOM 781 N LEU A 53 5.498 4.611 -0.380 1.00 0.00 N ATOM 782 CA LEU A 53 4.899 4.481 0.929 1.00 0.00 C ATOM 783 C LEU A 53 5.336 3.172 1.571 1.00 0.00 C ATOM 784 O LEU A 53 5.919 2.308 0.903 1.00 0.00 O ATOM 785 CB LEU A 53 3.335 4.614 0.867 1.00 0.00 C ATOM 786 CG LEU A 53 2.484 3.495 0.200 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.021 3.880 0.239 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.892 3.226 -1.240 1.00 0.00 C ATOM 0 H LEU A 53 5.733 3.723 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 53 5.251 5.301 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.978 4.725 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.109 5.546 0.348 1.00 0.00 H new ATOM 0 HG LEU A 53 2.658 2.580 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.426 3.096 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.706 4.006 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.876 4.816 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.265 2.437 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.768 4.135 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.936 2.914 -1.270 1.00 0.00 H new ATOM 800 N THR A 54 5.070 3.037 2.842 1.00 0.00 N ATOM 801 CA THR A 54 5.474 1.868 3.600 1.00 0.00 C ATOM 802 C THR A 54 4.222 1.183 4.212 1.00 0.00 C ATOM 803 O THR A 54 3.128 1.783 4.206 1.00 0.00 O ATOM 804 CB THR A 54 6.452 2.292 4.739 1.00 0.00 C ATOM 805 OG1 THR A 54 5.831 3.238 5.611 1.00 0.00 O ATOM 806 CG2 THR A 54 7.723 2.906 4.177 1.00 0.00 C ATOM 0 H THR A 54 4.565 3.734 3.390 1.00 0.00 H new ATOM 0 HA THR A 54 5.979 1.166 2.936 1.00 0.00 H new ATOM 0 HB THR A 54 6.708 1.390 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.597 4.044 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.383 3.191 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.228 2.179 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.472 3.789 3.590 1.00 0.00 H new ATOM 814 N PRO A 55 4.337 -0.080 4.713 1.00 0.00 N ATOM 815 CA PRO A 55 3.233 -0.800 5.374 1.00 0.00 C ATOM 816 C PRO A 55 2.467 0.011 6.456 1.00 0.00 C ATOM 817 O PRO A 55 1.261 -0.205 6.659 1.00 0.00 O ATOM 818 CB PRO A 55 3.943 -1.982 6.017 1.00 0.00 C ATOM 819 CG PRO A 55 5.044 -2.294 5.081 1.00 0.00 C ATOM 820 CD PRO A 55 5.527 -0.968 4.575 1.00 0.00 C ATOM 0 HA PRO A 55 2.456 -1.051 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.321 -1.729 7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.271 -2.832 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.844 -2.837 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.696 -2.924 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.371 -0.600 5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.860 -1.032 3.539 1.00 0.00 H new ATOM 828 N THR A 56 3.141 0.921 7.153 1.00 0.00 N ATOM 829 CA THR A 56 2.466 1.723 8.176 1.00 0.00 C ATOM 830 C THR A 56 1.543 2.757 7.527 1.00 0.00 C ATOM 831 O THR A 56 0.402 2.967 7.985 1.00 0.00 O ATOM 832 CB THR A 56 3.454 2.409 9.185 1.00 0.00 C ATOM 833 OG1 THR A 56 2.726 3.145 10.176 1.00 0.00 O ATOM 834 CG2 THR A 56 4.413 3.358 8.479 1.00 0.00 C ATOM 0 H THR A 56 4.134 1.122 7.035 1.00 0.00 H new ATOM 0 HA THR A 56 1.867 1.029 8.766 1.00 0.00 H new ATOM 0 HB THR A 56 4.031 1.613 9.657 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.355 3.566 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.080 3.813 9.211 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.001 2.804 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.845 4.138 7.972 1.00 0.00 H new ATOM 842 N ASP A 57 1.998 3.339 6.409 1.00 0.00 N ATOM 843 CA ASP A 57 1.231 4.333 5.673 1.00 0.00 C ATOM 844 C ASP A 57 0.052 3.639 5.078 1.00 0.00 C ATOM 845 O ASP A 57 -1.066 4.140 5.128 1.00 0.00 O ATOM 846 CB ASP A 57 2.062 4.982 4.563 1.00 0.00 C ATOM 847 CG ASP A 57 3.388 5.505 5.039 1.00 0.00 C ATOM 848 OD1 ASP A 57 3.443 6.271 6.018 1.00 0.00 O ATOM 849 OD2 ASP A 57 4.413 5.129 4.450 1.00 0.00 O ATOM 0 H ASP A 57 2.907 3.129 5.996 1.00 0.00 H new ATOM 0 HA ASP A 57 0.924 5.129 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.231 4.252 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.493 5.802 4.125 1.00 0.00 H new ATOM 854 N TRP A 58 0.318 2.444 4.560 1.00 0.00 N ATOM 855 CA TRP A 58 -0.699 1.558 4.053 1.00 0.00 C ATOM 856 C TRP A 58 -1.814 1.363 5.077 1.00 0.00 C ATOM 857 O TRP A 58 -2.953 1.731 4.830 1.00 0.00 O ATOM 858 CB TRP A 58 -0.108 0.177 3.656 1.00 0.00 C ATOM 859 CG TRP A 58 0.397 0.064 2.239 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.106 0.890 1.202 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.218 -0.992 1.686 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.721 0.450 0.060 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.403 -0.701 0.325 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.828 -2.134 2.207 1.00 0.00 C ATOM 865 CZ2 TRP A 58 2.155 -1.509 -0.522 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.570 -2.941 1.358 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.728 -2.622 0.013 1.00 0.00 C ATOM 0 H TRP A 58 1.263 2.068 4.484 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.113 2.026 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.713 -0.055 4.334 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.874 -0.583 3.811 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.520 1.768 1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.676 0.912 -0.848 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.724 -2.385 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.280 -1.262 -1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.034 -3.835 1.748 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.317 -3.270 -0.619 1.00 0.00 H new ATOM 878 N ASN A 59 -1.479 0.822 6.216 1.00 0.00 N ATOM 879 CA ASN A 59 -2.473 0.534 7.250 1.00 0.00 C ATOM 880 C ASN A 59 -3.278 1.739 7.672 1.00 0.00 C ATOM 881 O ASN A 59 -4.467 1.621 7.903 1.00 0.00 O ATOM 882 CB ASN A 59 -1.862 -0.203 8.449 1.00 0.00 C ATOM 883 CG ASN A 59 -1.741 -1.697 8.177 1.00 0.00 C ATOM 884 OD1 ASN A 59 -1.632 -2.131 7.016 1.00 0.00 O ATOM 885 ND2 ASN A 59 -1.742 -2.492 9.214 1.00 0.00 N ATOM 0 H ASN A 59 -0.524 0.565 6.466 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.189 -0.143 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.877 0.210 8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.480 -0.041 9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.652 -3.500 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.833 -2.105 10.153 1.00 0.00 H new ATOM 892 N THR A 60 -2.652 2.900 7.684 1.00 0.00 N ATOM 893 CA THR A 60 -3.333 4.128 8.060 1.00 0.00 C ATOM 894 C THR A 60 -4.351 4.537 6.943 1.00 0.00 C ATOM 895 O THR A 60 -5.474 4.981 7.230 1.00 0.00 O ATOM 896 CB THR A 60 -2.296 5.263 8.263 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.231 4.792 9.121 1.00 0.00 O ATOM 898 CG2 THR A 60 -2.927 6.485 8.912 1.00 0.00 C ATOM 0 H THR A 60 -1.670 3.021 7.437 1.00 0.00 H new ATOM 0 HA THR A 60 -3.873 3.964 8.993 1.00 0.00 H new ATOM 0 HB THR A 60 -1.913 5.543 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.556 4.329 8.581 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.172 7.260 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.729 6.861 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.333 6.211 9.886 1.00 0.00 H new ATOM 906 N LEU A 61 -3.945 4.324 5.691 1.00 0.00 N ATOM 907 CA LEU A 61 -4.734 4.644 4.509 1.00 0.00 C ATOM 908 C LEU A 61 -6.050 3.863 4.556 1.00 0.00 C ATOM 909 O LEU A 61 -7.102 4.463 4.727 1.00 0.00 O ATOM 910 CB LEU A 61 -3.868 4.336 3.233 1.00 0.00 C ATOM 911 CG LEU A 61 -4.367 4.744 1.812 1.00 0.00 C ATOM 912 CD1 LEU A 61 -5.527 3.899 1.334 1.00 0.00 C ATOM 913 CD2 LEU A 61 -4.713 6.223 1.742 1.00 0.00 C ATOM 0 H LEU A 61 -3.037 3.915 5.469 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.000 5.701 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.899 4.812 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.695 3.260 3.215 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.534 4.556 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.832 4.228 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.223 2.853 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.364 4.006 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.056 6.469 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.502 6.446 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.829 6.815 1.978 1.00 0.00 H new ATOM 925 N VAL A 62 -5.967 2.526 4.511 1.00 0.00 N ATOM 926 CA VAL A 62 -7.166 1.645 4.523 1.00 0.00 C ATOM 927 C VAL A 62 -8.044 1.902 5.757 1.00 0.00 C ATOM 928 O VAL A 62 -9.277 1.931 5.685 1.00 0.00 O ATOM 929 CB VAL A 62 -6.768 0.114 4.454 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.797 -0.279 5.565 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.997 -0.776 4.523 1.00 0.00 C ATOM 0 H VAL A 62 -5.083 2.020 4.466 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.742 1.891 3.631 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.270 -0.031 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.553 -1.338 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.885 0.312 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.259 -0.092 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.692 -1.821 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.525 -0.596 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.657 -0.550 3.686 1.00 0.00 H new ATOM 941 N ARG A 63 -7.363 2.157 6.837 1.00 0.00 N ATOM 942 CA ARG A 63 -7.949 2.371 8.168 1.00 0.00 C ATOM 943 C ARG A 63 -8.961 3.507 8.162 1.00 0.00 C ATOM 944 O ARG A 63 -10.052 3.415 8.759 1.00 0.00 O ATOM 945 CB ARG A 63 -6.857 2.789 9.106 1.00 0.00 C ATOM 946 CG ARG A 63 -6.993 2.284 10.494 1.00 0.00 C ATOM 947 CD ARG A 63 -6.666 0.804 10.525 1.00 0.00 C ATOM 948 NE ARG A 63 -6.779 0.208 11.849 1.00 0.00 N ATOM 949 CZ ARG A 63 -6.280 -0.985 12.177 1.00 0.00 C ATOM 950 NH1 ARG A 63 -5.797 -1.787 11.231 1.00 0.00 N ATOM 951 NH2 ARG A 63 -6.322 -1.401 13.432 1.00 0.00 N ATOM 0 H ARG A 63 -6.345 2.228 6.836 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.436 1.443 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.903 2.448 8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.820 3.878 9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.323 2.830 11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.007 2.451 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.333 0.279 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.651 0.657 10.155 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.270 0.736 12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.808 -1.489 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.415 -2.699 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.737 -0.809 14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.940 -2.314 13.680 1.00 0.00 H new ATOM 965 N ALA A 64 -8.584 4.561 7.496 1.00 0.00 N ATOM 966 CA ALA A 64 -9.344 5.791 7.476 1.00 0.00 C ATOM 967 C ALA A 64 -10.235 5.912 6.236 1.00 0.00 C ATOM 968 O ALA A 64 -11.419 6.268 6.348 1.00 0.00 O ATOM 969 CB ALA A 64 -8.379 6.963 7.555 1.00 0.00 C ATOM 0 H ALA A 64 -7.729 4.597 6.942 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.013 5.792 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.940 7.898 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.804 6.899 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.701 6.934 6.702 1.00 0.00 H new ATOM 975 N VAL A 65 -9.645 5.664 5.099 1.00 0.00 N ATOM 976 CA VAL A 65 -10.359 5.829 3.815 1.00 0.00 C ATOM 977 C VAL A 65 -11.712 5.090 3.740 1.00 0.00 C ATOM 978 O VAL A 65 -12.735 5.706 3.480 1.00 0.00 O ATOM 979 CB VAL A 65 -9.492 5.545 2.554 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.287 6.463 2.532 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.065 4.081 2.461 1.00 0.00 C ATOM 0 H VAL A 65 -8.679 5.348 5.011 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.584 6.895 3.802 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.109 5.747 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.688 6.255 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.620 7.501 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.685 6.294 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.463 3.934 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.478 3.817 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.950 3.446 2.412 1.00 0.00 H new ATOM 991 N LEU A 66 -11.740 3.819 4.035 1.00 0.00 N ATOM 992 CA LEU A 66 -12.975 3.081 3.957 1.00 0.00 C ATOM 993 C LEU A 66 -13.392 2.628 5.327 1.00 0.00 C ATOM 994 O LEU A 66 -12.682 2.873 6.308 1.00 0.00 O ATOM 995 CB LEU A 66 -12.910 1.891 2.976 1.00 0.00 C ATOM 996 CG LEU A 66 -13.253 2.148 1.487 1.00 0.00 C ATOM 997 CD1 LEU A 66 -12.260 3.047 0.761 1.00 0.00 C ATOM 998 CD2 LEU A 66 -13.368 0.848 0.777 1.00 0.00 C ATOM 0 H LEU A 66 -10.929 3.274 4.330 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.728 3.760 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.902 1.479 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.585 1.119 3.344 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.201 2.685 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.575 3.175 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.223 4.020 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.270 2.591 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.609 1.026 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.422 0.311 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.157 0.252 1.235 1.00 0.00 H new ATOM 1010 N SER A 67 -14.554 2.032 5.424 1.00 0.00 N ATOM 1011 CA SER A 67 -15.054 1.557 6.685 1.00 0.00 C ATOM 1012 C SER A 67 -15.878 0.292 6.487 1.00 0.00 C ATOM 1013 O SER A 67 -16.738 0.225 5.591 1.00 0.00 O ATOM 1014 CB SER A 67 -15.899 2.659 7.343 1.00 0.00 C ATOM 1015 OG SER A 67 -15.128 3.853 7.483 1.00 0.00 O ATOM 0 H SER A 67 -15.176 1.864 4.633 1.00 0.00 H new ATOM 0 HA SER A 67 -14.216 1.313 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.785 2.858 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.248 2.326 8.320 1.00 0.00 H new ATOM 0 HG SER A 67 -15.676 4.549 7.902 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.578 -0.725 7.257 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.361 -1.929 7.227 1.00 0.00 C ATOM 1023 C GLY A 68 -15.726 -3.031 6.410 1.00 0.00 C ATOM 1024 O GLY A 68 -14.801 -3.730 6.878 1.00 0.00 O ATOM 0 H GLY A 68 -14.796 -0.740 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.512 -2.282 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.346 -1.704 6.819 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.205 -3.162 5.197 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.787 -4.202 4.285 1.00 0.00 C ATOM 1030 C GLY A 69 -14.333 -4.130 3.870 1.00 0.00 C ATOM 1031 O GLY A 69 -13.766 -5.141 3.446 1.00 0.00 O ATOM 0 H GLY A 69 -16.910 -2.537 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.971 -5.170 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.409 -4.155 3.391 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.738 -2.939 3.996 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.325 -2.678 3.602 1.00 0.00 C ATOM 1037 C ASP A 70 -11.385 -3.778 4.083 1.00 0.00 C ATOM 1038 O ASP A 70 -10.753 -4.460 3.272 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.819 -1.284 4.119 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.759 -1.149 5.653 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.780 -0.819 6.264 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.708 -1.408 6.267 1.00 0.00 O ATOM 0 H ASP A 70 -14.213 -2.119 4.373 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.313 -2.667 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.824 -1.100 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.473 -0.506 3.725 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.413 -4.013 5.369 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.545 -4.921 6.047 1.00 0.00 C ATOM 1049 C HIS A 71 -10.718 -6.316 5.520 1.00 0.00 C ATOM 1050 O HIS A 71 -9.750 -6.954 5.135 1.00 0.00 O ATOM 1051 CB HIS A 71 -10.835 -4.863 7.561 1.00 0.00 C ATOM 1052 CG HIS A 71 -9.913 -5.676 8.434 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -8.980 -5.112 9.258 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -9.822 -7.013 8.640 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.362 -6.056 9.925 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.854 -7.217 9.568 1.00 0.00 N ATOM 0 H HIS A 71 -12.074 -3.552 5.994 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.509 -4.631 5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.786 -3.823 7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.857 -5.201 7.730 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.412 -7.776 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.576 -5.902 10.650 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.558 -8.124 9.928 1.00 0.00 H new ATOM 1065 N LEU A 72 -11.940 -6.765 5.476 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.202 -8.111 5.087 1.00 0.00 C ATOM 1067 C LEU A 72 -11.766 -8.453 3.656 1.00 0.00 C ATOM 1068 O LEU A 72 -10.963 -9.343 3.485 1.00 0.00 O ATOM 1069 CB LEU A 72 -13.602 -8.618 5.555 1.00 0.00 C ATOM 1070 CG LEU A 72 -14.825 -7.711 5.329 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.343 -7.797 3.917 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -15.927 -8.021 6.329 1.00 0.00 C ATOM 0 H LEU A 72 -12.767 -6.214 5.706 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.520 -8.741 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.796 -9.566 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.538 -8.829 6.623 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.494 -6.685 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.206 -7.140 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.561 -7.490 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.638 -8.824 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.779 -7.366 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.238 -9.060 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.556 -7.860 7.341 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.165 -7.695 2.650 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.716 -8.055 1.307 1.00 0.00 C ATOM 1086 C LEU A 73 -10.318 -7.569 0.974 1.00 0.00 C ATOM 1087 O LEU A 73 -9.435 -8.408 0.735 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.693 -7.675 0.220 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.687 -8.766 -0.253 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.986 -10.045 -0.669 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.747 -9.061 0.772 1.00 0.00 C ATOM 0 H LEU A 73 -12.764 -6.872 2.721 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.672 -9.144 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.271 -6.820 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.122 -7.341 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.179 -8.352 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.726 -10.777 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.302 -9.834 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.426 -10.444 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.417 -9.832 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.277 -9.411 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.316 -8.155 0.978 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.094 -6.232 0.980 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.791 -5.658 0.740 1.00 0.00 C ATOM 1105 C TRP A 74 -7.723 -6.337 1.589 1.00 0.00 C ATOM 1106 O TRP A 74 -6.773 -6.899 1.108 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.761 -4.160 1.118 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.535 -3.132 0.301 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.458 -3.295 -0.699 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.322 -1.735 0.409 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.907 -2.042 -1.132 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.209 -1.073 -0.449 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.471 -1.009 1.186 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.256 0.327 -0.536 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.489 0.385 1.115 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.388 1.042 0.265 1.00 0.00 C ATOM 0 H TRP A 74 -10.824 -5.541 1.153 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.591 -5.797 -0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.113 -4.082 2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.716 -3.850 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.788 -4.245 -1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.628 -1.876 -1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.786 -1.509 1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.944 0.825 -1.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.805 0.961 1.720 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.402 2.122 0.236 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.947 -6.340 2.829 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.923 -6.699 3.769 1.00 0.00 C ATOM 1129 C LYS A 75 -6.741 -8.167 4.027 1.00 0.00 C ATOM 1130 O LYS A 75 -5.614 -8.573 4.301 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.983 -5.851 5.009 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.856 -4.384 4.673 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.452 -4.026 4.191 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.491 -3.991 5.399 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.114 -3.545 5.080 1.00 0.00 N ATOM 0 H LYS A 75 -8.843 -6.096 3.250 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.988 -6.457 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.925 -6.028 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.184 -6.141 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.581 -4.125 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.100 -3.788 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.109 -4.758 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.462 -3.057 3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.907 -3.328 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.443 -4.988 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.659 -3.180 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.565 -4.348 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.150 -2.793 4.362 1.00 0.00 H new ATOM 1149 N SER A 76 -7.776 -8.991 3.900 1.00 0.00 N ATOM 1150 CA SER A 76 -7.536 -10.415 4.055 1.00 0.00 C ATOM 1151 C SER A 76 -6.674 -10.842 2.880 1.00 0.00 C ATOM 1152 O SER A 76 -5.736 -11.645 3.019 1.00 0.00 O ATOM 1153 CB SER A 76 -8.844 -11.203 4.086 1.00 0.00 C ATOM 1154 OG SER A 76 -8.670 -12.555 4.521 1.00 0.00 O ATOM 0 H SER A 76 -8.738 -8.716 3.701 1.00 0.00 H new ATOM 0 HA SER A 76 -7.036 -10.617 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.549 -10.701 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.287 -11.201 3.090 1.00 0.00 H new ATOM 0 HG SER A 76 -9.537 -13.012 4.524 1.00 0.00 H new ATOM 1160 N GLU A 77 -6.933 -10.215 1.730 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.151 -10.461 0.554 1.00 0.00 C ATOM 1162 C GLU A 77 -4.793 -9.867 0.649 1.00 0.00 C ATOM 1163 O GLU A 77 -3.931 -10.281 -0.065 1.00 0.00 O ATOM 1164 CB GLU A 77 -6.802 -9.925 -0.672 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.026 -10.637 -1.088 1.00 0.00 C ATOM 1166 CD GLU A 77 -7.752 -12.029 -1.560 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -7.452 -12.188 -2.751 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -7.879 -12.981 -0.786 1.00 0.00 O ATOM 0 H GLU A 77 -7.683 -9.535 1.606 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.071 -11.546 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.048 -8.876 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.084 -9.958 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.723 -10.672 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.514 -10.077 -1.886 1.00 0.00 H new ATOM 1175 N PHE A 78 -4.607 -8.856 1.464 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.296 -8.316 1.662 1.00 0.00 C ATOM 1177 C PHE A 78 -2.428 -9.402 2.262 1.00 0.00 C ATOM 1178 O PHE A 78 -1.342 -9.647 1.812 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.358 -7.072 2.568 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.023 -6.458 2.883 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.433 -5.577 1.999 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.364 -6.760 4.063 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.211 -5.007 2.277 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.139 -6.192 4.346 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.439 -5.313 3.452 1.00 0.00 C ATOM 0 H PHE A 78 -5.347 -8.397 1.995 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.867 -7.994 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.984 -6.320 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.847 -7.344 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.937 -5.331 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.812 -7.445 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.238 -4.320 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.368 -6.435 5.268 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.397 -4.867 3.673 1.00 0.00 H new ATOM 1195 N PHE A 79 -2.951 -10.086 3.235 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.212 -11.158 3.851 1.00 0.00 C ATOM 1197 C PHE A 79 -2.048 -12.353 2.905 1.00 0.00 C ATOM 1198 O PHE A 79 -0.919 -12.875 2.707 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.861 -11.553 5.165 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.756 -10.462 6.188 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -1.564 -10.219 6.858 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -3.834 -9.641 6.434 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.470 -9.175 7.759 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -3.748 -8.598 7.317 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.569 -8.361 7.983 1.00 0.00 C ATOM 0 H PHE A 79 -3.881 -9.926 3.621 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.205 -10.801 4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.911 -11.792 4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.387 -12.457 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.706 -10.849 6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.766 -9.824 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.545 -8.995 8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.604 -7.963 7.490 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.499 -7.540 8.681 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.135 -12.751 2.287 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.126 -13.886 1.399 1.00 0.00 C ATOM 1217 C GLU A 80 -2.314 -13.651 0.124 1.00 0.00 C ATOM 1218 O GLU A 80 -1.388 -14.409 -0.152 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.540 -14.364 1.098 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.283 -14.836 2.340 1.00 0.00 C ATOM 1221 CD GLU A 80 -4.629 -16.035 2.985 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -4.965 -17.167 2.615 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -3.782 -15.877 3.895 1.00 0.00 O ATOM 0 H GLU A 80 -4.044 -12.300 2.385 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.610 -14.687 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.100 -13.554 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.497 -15.179 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.332 -14.021 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.309 -15.086 2.072 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.605 -12.591 -0.615 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.948 -12.361 -1.900 1.00 0.00 C ATOM 1232 C ASN A 81 -0.540 -11.793 -1.774 1.00 0.00 C ATOM 1233 O ASN A 81 0.291 -12.039 -2.642 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.812 -11.573 -2.922 1.00 0.00 C ATOM 1235 CG ASN A 81 -2.457 -10.100 -3.121 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -1.586 -9.765 -3.909 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.167 -9.226 -2.473 1.00 0.00 N ATOM 0 H ASN A 81 -3.286 -11.879 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.835 -13.360 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.741 -12.075 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.854 -11.634 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.004 -8.229 -2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.888 -9.536 -1.821 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.241 -11.071 -0.702 1.00 0.00 N ATOM 1245 CA CYS A 82 1.122 -10.597 -0.540 1.00 0.00 C ATOM 1246 C CYS A 82 2.051 -11.748 -0.190 1.00 0.00 C ATOM 1247 O CYS A 82 3.139 -11.839 -0.733 1.00 0.00 O ATOM 1248 CB CYS A 82 1.248 -9.412 0.413 1.00 0.00 C ATOM 1249 SG CYS A 82 0.380 -7.919 -0.150 1.00 0.00 S ATOM 0 H CYS A 82 -0.893 -10.811 0.038 1.00 0.00 H new ATOM 0 HA CYS A 82 1.439 -10.199 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.858 -9.700 1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.304 -9.177 0.548 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.175 -7.330 0.867 1.00 0.00 H new ATOM 1255 N ARG A 83 1.603 -12.686 0.662 1.00 0.00 N ATOM 1256 CA ARG A 83 2.413 -13.878 0.892 1.00 0.00 C ATOM 1257 C ARG A 83 2.358 -14.848 -0.285 1.00 0.00 C ATOM 1258 O ARG A 83 3.251 -15.653 -0.476 1.00 0.00 O ATOM 1259 CB ARG A 83 2.188 -14.580 2.234 1.00 0.00 C ATOM 1260 CG ARG A 83 3.211 -14.209 3.297 1.00 0.00 C ATOM 1261 CD ARG A 83 3.046 -12.792 3.775 1.00 0.00 C ATOM 1262 NE ARG A 83 4.227 -12.299 4.517 1.00 0.00 N ATOM 1263 CZ ARG A 83 4.488 -12.455 5.830 1.00 0.00 C ATOM 1264 NH1 ARG A 83 3.699 -13.189 6.608 1.00 0.00 N ATOM 1265 NH2 ARG A 83 5.562 -11.866 6.346 1.00 0.00 N ATOM 0 H ARG A 83 0.724 -12.642 1.178 1.00 0.00 H new ATOM 0 HA ARG A 83 3.431 -13.495 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.191 -14.334 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.213 -15.659 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.116 -14.889 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.215 -14.340 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.863 -12.143 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.167 -12.729 4.416 1.00 0.00 H new ATOM 0 HE ARG A 83 4.921 -11.784 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.878 -13.647 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.915 -13.294 7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.173 -11.307 5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.775 -11.973 7.338 1.00 0.00 H new ATOM 1279 N ASP A 84 1.308 -14.767 -1.048 1.00 0.00 N ATOM 1280 CA ASP A 84 1.152 -15.534 -2.297 1.00 0.00 C ATOM 1281 C ASP A 84 2.250 -15.149 -3.255 1.00 0.00 C ATOM 1282 O ASP A 84 3.026 -15.988 -3.745 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.154 -15.140 -2.938 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.449 -15.878 -4.202 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -0.995 -16.985 -4.134 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.127 -15.366 -5.285 1.00 0.00 O ATOM 0 H ASP A 84 0.512 -14.164 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 84 1.185 -16.601 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.963 -15.314 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.138 -14.070 -3.148 1.00 0.00 H new ATOM 1291 N THR A 85 2.294 -13.868 -3.506 1.00 0.00 N ATOM 1292 CA THR A 85 3.260 -13.227 -4.336 1.00 0.00 C ATOM 1293 C THR A 85 4.669 -13.473 -3.746 1.00 0.00 C ATOM 1294 O THR A 85 5.635 -13.692 -4.482 1.00 0.00 O ATOM 1295 CB THR A 85 2.875 -11.716 -4.374 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.553 -11.580 -4.963 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.865 -10.831 -5.122 1.00 0.00 C ATOM 0 H THR A 85 1.617 -13.215 -3.112 1.00 0.00 H new ATOM 0 HA THR A 85 3.275 -13.617 -5.354 1.00 0.00 H new ATOM 0 HB THR A 85 2.890 -11.367 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.871 -11.762 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.519 -9.798 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.843 -10.897 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.942 -11.165 -6.157 1.00 0.00 H new ATOM 1305 N ALA A 86 4.721 -13.553 -2.418 1.00 0.00 N ATOM 1306 CA ALA A 86 5.940 -13.833 -1.694 1.00 0.00 C ATOM 1307 C ALA A 86 6.474 -15.178 -2.067 1.00 0.00 C ATOM 1308 O ALA A 86 7.644 -15.300 -2.409 1.00 0.00 O ATOM 1309 CB ALA A 86 5.708 -13.772 -0.203 1.00 0.00 C ATOM 0 H ALA A 86 3.907 -13.423 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 86 6.672 -13.072 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.640 -13.986 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.359 -12.776 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.956 -14.510 0.079 1.00 0.00 H new ATOM 1315 N LYS A 87 5.597 -16.186 -2.046 1.00 0.00 N ATOM 1316 CA LYS A 87 5.968 -17.551 -2.390 1.00 0.00 C ATOM 1317 C LYS A 87 6.593 -17.585 -3.764 1.00 0.00 C ATOM 1318 O LYS A 87 7.605 -18.254 -3.982 1.00 0.00 O ATOM 1319 CB LYS A 87 4.762 -18.513 -2.361 1.00 0.00 C ATOM 1320 CG LYS A 87 4.035 -18.626 -1.027 1.00 0.00 C ATOM 1321 CD LYS A 87 3.069 -19.820 -1.002 1.00 0.00 C ATOM 1322 CE LYS A 87 1.957 -19.701 -2.046 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.043 -20.868 -2.018 1.00 0.00 N ATOM 0 H LYS A 87 4.616 -16.074 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 87 6.683 -17.886 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.046 -18.191 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.106 -19.506 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.764 -18.732 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.481 -17.707 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.629 -20.739 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.624 -19.901 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.387 -18.789 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.399 -19.610 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.304 -20.748 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.582 -21.736 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.601 -20.940 -1.079 1.00 0.00 H new ATOM 1337 N ARG A 88 6.015 -16.817 -4.674 1.00 0.00 N ATOM 1338 CA ARG A 88 6.503 -16.759 -6.033 1.00 0.00 C ATOM 1339 C ARG A 88 7.863 -16.074 -6.161 1.00 0.00 C ATOM 1340 O ARG A 88 8.655 -16.451 -7.019 1.00 0.00 O ATOM 1341 CB ARG A 88 5.460 -16.200 -7.011 1.00 0.00 C ATOM 1342 CG ARG A 88 4.445 -17.254 -7.497 1.00 0.00 C ATOM 1343 CD ARG A 88 3.630 -17.869 -6.360 1.00 0.00 C ATOM 1344 NE ARG A 88 2.781 -18.988 -6.803 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.512 -19.187 -6.411 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.886 -18.273 -5.690 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.864 -20.279 -6.788 1.00 0.00 N ATOM 0 H ARG A 88 5.205 -16.225 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 88 6.673 -17.795 -6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.922 -15.384 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.973 -15.776 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.766 -16.793 -8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.977 -18.046 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.308 -18.220 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.002 -17.099 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 88 3.186 -19.660 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.367 -17.412 -5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.078 -18.429 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.329 -20.970 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.100 -20.429 -6.489 1.00 0.00 H new ATOM 1361 N ASN A 89 8.155 -15.096 -5.308 1.00 0.00 N ATOM 1362 CA ASN A 89 9.480 -14.483 -5.367 1.00 0.00 C ATOM 1363 C ASN A 89 10.523 -15.325 -4.651 1.00 0.00 C ATOM 1364 O ASN A 89 11.691 -15.296 -5.015 1.00 0.00 O ATOM 1365 CB ASN A 89 9.536 -13.024 -4.878 1.00 0.00 C ATOM 1366 CG ASN A 89 10.106 -12.103 -5.964 1.00 0.00 C ATOM 1367 OD1 ASN A 89 10.824 -12.550 -6.832 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.824 -10.832 -5.915 1.00 0.00 N ATOM 0 H ASN A 89 7.525 -14.723 -4.598 1.00 0.00 H new ATOM 0 HA ASN A 89 9.716 -14.450 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.536 -12.691 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.153 -12.960 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.209 -10.197 -6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.218 -10.472 -5.178 1.00 0.00 H new ATOM 1375 N GLN A 90 10.103 -16.110 -3.652 1.00 0.00 N ATOM 1376 CA GLN A 90 11.058 -16.977 -2.945 1.00 0.00 C ATOM 1377 C GLN A 90 11.493 -18.092 -3.879 1.00 0.00 C ATOM 1378 O GLN A 90 12.661 -18.445 -3.918 1.00 0.00 O ATOM 1379 CB GLN A 90 10.490 -17.583 -1.644 1.00 0.00 C ATOM 1380 CG GLN A 90 9.739 -16.621 -0.722 1.00 0.00 C ATOM 1381 CD GLN A 90 10.470 -15.336 -0.409 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.239 -15.251 0.548 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.165 -14.320 -1.161 1.00 0.00 N ATOM 0 H GLN A 90 9.140 -16.165 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 90 11.904 -16.355 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.817 -18.397 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.314 -18.022 -1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.782 -16.374 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.521 -17.135 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.522 -14.440 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.569 -13.403 -0.968 1.00 0.00 H new ATOM 1392 N GLN A 91 10.559 -18.627 -4.670 1.00 0.00 N ATOM 1393 CA GLN A 91 10.906 -19.651 -5.668 1.00 0.00 C ATOM 1394 C GLN A 91 11.601 -19.018 -6.888 1.00 0.00 C ATOM 1395 O GLN A 91 12.014 -19.709 -7.806 1.00 0.00 O ATOM 1396 CB GLN A 91 9.676 -20.464 -6.098 1.00 0.00 C ATOM 1397 CG GLN A 91 8.544 -19.612 -6.622 1.00 0.00 C ATOM 1398 CD GLN A 91 7.337 -20.399 -7.048 1.00 0.00 C ATOM 1399 OE1 GLN A 91 7.221 -20.796 -8.197 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.432 -20.633 -6.145 1.00 0.00 N ATOM 0 H GLN A 91 9.571 -18.376 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 91 11.606 -20.341 -5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.972 -21.175 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.319 -21.045 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.249 -18.902 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.903 -19.029 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.559 -20.287 -5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.595 -21.162 -6.387 1.00 0.00 H new ATOM 1409 N ALA A 92 11.678 -17.697 -6.900 1.00 0.00 N ATOM 1410 CA ALA A 92 12.447 -16.990 -7.905 1.00 0.00 C ATOM 1411 C ALA A 92 13.840 -16.727 -7.336 1.00 0.00 C ATOM 1412 O ALA A 92 14.792 -16.449 -8.063 1.00 0.00 O ATOM 1413 CB ALA A 92 11.765 -15.682 -8.302 1.00 0.00 C ATOM 0 H ALA A 92 11.215 -17.093 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 92 12.520 -17.596 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.365 -15.174 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.776 -15.896 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.667 -15.042 -7.425 1.00 0.00 H new ATOM 1419 N GLY A 93 13.935 -16.850 -6.012 1.00 0.00 N ATOM 1420 CA GLY A 93 15.180 -16.679 -5.291 1.00 0.00 C ATOM 1421 C GLY A 93 15.476 -15.238 -4.975 1.00 0.00 C ATOM 1422 O GLY A 93 16.634 -14.845 -4.787 1.00 0.00 O ATOM 0 H GLY A 93 13.140 -17.073 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.139 -17.249 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.997 -17.092 -5.882 1.00 0.00 H new ATOM 1426 N ASN A 94 14.455 -14.452 -4.921 1.00 0.00 N ATOM 1427 CA ASN A 94 14.591 -13.065 -4.590 1.00 0.00 C ATOM 1428 C ASN A 94 14.120 -12.887 -3.184 1.00 0.00 C ATOM 1429 O ASN A 94 13.067 -13.421 -2.804 1.00 0.00 O ATOM 1430 CB ASN A 94 13.768 -12.187 -5.539 1.00 0.00 C ATOM 1431 CG ASN A 94 14.213 -12.295 -6.987 1.00 0.00 C ATOM 1432 OD1 ASN A 94 15.392 -12.460 -7.274 1.00 0.00 O ATOM 1433 ND2 ASN A 94 13.278 -12.249 -7.900 1.00 0.00 N ATOM 0 H ASN A 94 13.497 -14.749 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 94 15.633 -12.761 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.718 -12.469 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.842 -11.148 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.522 -12.352 -8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.305 -12.110 -7.627 1.00 0.00 H new ATOM 1440 N GLY A 95 14.865 -12.150 -2.408 1.00 0.00 N ATOM 1441 CA GLY A 95 14.532 -11.953 -1.022 1.00 0.00 C ATOM 1442 C GLY A 95 13.603 -10.793 -0.846 1.00 0.00 C ATOM 1443 O GLY A 95 13.825 -9.922 -0.012 1.00 0.00 O ATOM 0 H GLY A 95 15.713 -11.672 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.069 -12.856 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.443 -11.783 -0.448 1.00 0.00 H new ATOM 1447 N TRP A 96 12.582 -10.777 -1.637 1.00 0.00 N ATOM 1448 CA TRP A 96 11.595 -9.760 -1.611 1.00 0.00 C ATOM 1449 C TRP A 96 10.276 -10.398 -1.354 1.00 0.00 C ATOM 1450 O TRP A 96 10.196 -11.615 -1.175 1.00 0.00 O ATOM 1451 CB TRP A 96 11.496 -9.003 -2.932 1.00 0.00 C ATOM 1452 CG TRP A 96 12.666 -8.173 -3.327 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.515 -7.488 -2.515 1.00 0.00 C ATOM 1454 CD2 TRP A 96 13.053 -7.879 -4.660 1.00 0.00 C ATOM 1455 NE1 TRP A 96 14.434 -6.814 -3.264 1.00 0.00 N ATOM 1456 CE2 TRP A 96 14.168 -7.036 -4.593 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.571 -8.263 -5.913 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.808 -6.568 -5.729 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.211 -7.792 -7.039 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.317 -6.953 -6.939 1.00 0.00 C ATOM 0 H TRP A 96 12.410 -11.496 -2.340 1.00 0.00 H new ATOM 0 HA TRP A 96 11.874 -9.049 -0.833 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.313 -9.728 -3.725 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.621 -8.354 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.468 -7.479 -1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.193 -6.240 -2.898 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.715 -8.915 -5.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.668 -5.919 -5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.848 -8.079 -8.015 1.00 0.00 H new ATOM 0 HH2 TRP A 96 14.796 -6.600 -7.840 1.00 0.00 H new ATOM 1471 N ASP A 97 9.275 -9.575 -1.231 1.00 0.00 N ATOM 1472 CA ASP A 97 7.858 -9.991 -1.202 1.00 0.00 C ATOM 1473 C ASP A 97 7.400 -10.584 0.121 1.00 0.00 C ATOM 1474 O ASP A 97 6.286 -10.338 0.567 1.00 0.00 O ATOM 1475 CB ASP A 97 7.494 -10.947 -2.361 1.00 0.00 C ATOM 1476 CG ASP A 97 7.632 -10.350 -3.744 1.00 0.00 C ATOM 1477 OD1 ASP A 97 8.512 -9.525 -3.954 1.00 0.00 O ATOM 1478 OD2 ASP A 97 6.921 -10.774 -4.668 1.00 0.00 O ATOM 0 H ASP A 97 9.400 -8.566 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 97 7.314 -9.055 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.129 -11.831 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.466 -11.283 -2.227 1.00 0.00 H new ATOM 1483 N PHE A 98 8.230 -11.356 0.749 1.00 0.00 N ATOM 1484 CA PHE A 98 7.827 -12.010 1.960 1.00 0.00 C ATOM 1485 C PHE A 98 7.846 -11.100 3.210 1.00 0.00 C ATOM 1486 O PHE A 98 6.792 -10.865 3.825 1.00 0.00 O ATOM 1487 CB PHE A 98 8.565 -13.354 2.170 1.00 0.00 C ATOM 1488 CG PHE A 98 8.169 -14.039 3.451 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.927 -14.629 3.566 1.00 0.00 C ATOM 1490 CD2 PHE A 98 9.018 -14.072 4.539 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.537 -15.240 4.737 1.00 0.00 C ATOM 1492 CE2 PHE A 98 8.636 -14.685 5.715 1.00 0.00 C ATOM 1493 CZ PHE A 98 7.391 -15.270 5.817 1.00 0.00 C ATOM 0 H PHE A 98 9.185 -11.550 0.448 1.00 0.00 H new ATOM 0 HA PHE A 98 6.773 -12.251 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.355 -14.015 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.640 -13.177 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.250 -14.611 2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.993 -13.613 4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.561 -15.696 4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.313 -14.707 6.556 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.088 -15.748 6.737 1.00 0.00 H new ATOM 1503 N ASP A 99 9.018 -10.688 3.650 1.00 0.00 N ATOM 1504 CA ASP A 99 9.125 -9.838 4.834 1.00 0.00 C ATOM 1505 C ASP A 99 9.051 -8.351 4.497 1.00 0.00 C ATOM 1506 O ASP A 99 8.468 -7.587 5.258 1.00 0.00 O ATOM 1507 CB ASP A 99 10.383 -10.162 5.655 1.00 0.00 C ATOM 1508 CG ASP A 99 11.634 -9.484 5.218 1.00 0.00 C ATOM 1509 OD1 ASP A 99 12.023 -9.641 4.039 1.00 0.00 O ATOM 1510 OD2 ASP A 99 12.249 -8.814 6.077 1.00 0.00 O ATOM 0 H ASP A 99 9.909 -10.923 3.213 1.00 0.00 H new ATOM 0 HA ASP A 99 8.257 -10.064 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.193 -9.898 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.546 -11.239 5.625 1.00 0.00 H new ATOM 1515 N MET A 100 9.689 -7.951 3.384 1.00 0.00 N ATOM 1516 CA MET A 100 9.696 -6.542 2.933 1.00 0.00 C ATOM 1517 C MET A 100 8.297 -6.085 2.539 1.00 0.00 C ATOM 1518 O MET A 100 7.752 -5.155 3.132 1.00 0.00 O ATOM 1519 CB MET A 100 10.661 -6.345 1.768 1.00 0.00 C ATOM 1520 CG MET A 100 12.103 -6.704 2.078 1.00 0.00 C ATOM 1521 SD MET A 100 13.215 -6.299 0.717 1.00 0.00 S ATOM 1522 CE MET A 100 14.798 -6.751 1.430 1.00 0.00 C ATOM 0 H MET A 100 10.209 -8.583 2.776 1.00 0.00 H new ATOM 0 HA MET A 100 10.035 -5.931 3.770 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.322 -6.949 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.619 -5.303 1.450 1.00 0.00 H new ATOM 0 HG2 MET A 100 12.422 -6.174 2.976 1.00 0.00 H new ATOM 0 HG3 MET A 100 12.171 -7.770 2.296 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.591 -6.558 0.707 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.974 -6.160 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.792 -7.810 1.688 1.00 0.00 H new ATOM 1532 N LEU A 101 7.739 -6.723 1.505 1.00 0.00 N ATOM 1533 CA LEU A 101 6.331 -6.556 1.164 1.00 0.00 C ATOM 1534 C LEU A 101 5.593 -7.202 2.312 1.00 0.00 C ATOM 1535 O LEU A 101 6.164 -8.102 2.922 1.00 0.00 O ATOM 1536 CB LEU A 101 6.028 -7.342 -0.120 1.00 0.00 C ATOM 1537 CG LEU A 101 4.547 -7.556 -0.511 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.882 -6.260 -0.892 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.435 -8.575 -1.644 1.00 0.00 C ATOM 0 H LEU A 101 8.246 -7.360 0.891 1.00 0.00 H new ATOM 0 HA LEU A 101 6.055 -5.513 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.521 -6.832 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.494 -8.323 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 101 4.026 -7.947 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.843 -6.450 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.919 -5.570 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.402 -5.820 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.386 -8.713 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.982 -8.213 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.857 -9.527 -1.320 1.00 0.00 H new ATOM 1551 N THR A 102 4.375 -6.771 2.611 1.00 0.00 N ATOM 1552 CA THR A 102 3.590 -7.309 3.724 1.00 0.00 C ATOM 1553 C THR A 102 3.944 -6.488 5.000 1.00 0.00 C ATOM 1554 O THR A 102 4.764 -5.580 4.910 1.00 0.00 O ATOM 1555 CB THR A 102 3.776 -8.883 3.888 1.00 0.00 C ATOM 1556 OG1 THR A 102 3.570 -9.538 2.613 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.829 -9.500 4.899 1.00 0.00 C ATOM 0 H THR A 102 3.898 -6.036 2.089 1.00 0.00 H new ATOM 0 HA THR A 102 2.524 -7.196 3.528 1.00 0.00 H new ATOM 0 HB THR A 102 4.793 -9.031 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.115 -10.351 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.011 -10.573 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.995 -9.048 5.877 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.799 -9.323 4.588 1.00 0.00 H new ATOM 1661 N ASP A 111 13.012 0.776 6.584 1.00 0.00 N ATOM 1662 CA ASP A 111 14.284 0.545 5.887 1.00 0.00 C ATOM 1663 C ASP A 111 14.116 -0.119 4.538 1.00 0.00 C ATOM 1664 O ASP A 111 14.306 0.534 3.485 1.00 0.00 O ATOM 1665 CB ASP A 111 15.191 -0.376 6.723 1.00 0.00 C ATOM 1666 CG ASP A 111 15.526 0.139 8.093 1.00 0.00 C ATOM 1667 OD1 ASP A 111 14.590 0.404 8.892 1.00 0.00 O ATOM 1668 OD2 ASP A 111 16.720 0.215 8.427 1.00 0.00 O ATOM 0 HA ASP A 111 14.720 1.534 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.704 -1.346 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.119 -0.541 6.176 1.00 0.00 H new ATOM 1673 N ALA A 112 13.649 -1.379 4.547 1.00 0.00 N ATOM 1674 CA ALA A 112 13.623 -2.221 3.347 1.00 0.00 C ATOM 1675 C ALA A 112 12.758 -1.606 2.301 1.00 0.00 C ATOM 1676 O ALA A 112 13.063 -1.646 1.090 1.00 0.00 O ATOM 1677 CB ALA A 112 13.143 -3.618 3.678 1.00 0.00 C ATOM 0 H ALA A 112 13.282 -1.837 5.382 1.00 0.00 H new ATOM 0 HA ALA A 112 14.639 -2.295 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.132 -4.223 2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 112 13.814 -4.070 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.136 -3.568 4.093 1.00 0.00 H new ATOM 1683 N GLN A 113 11.723 -0.987 2.773 1.00 0.00 N ATOM 1684 CA GLN A 113 10.826 -0.289 1.944 1.00 0.00 C ATOM 1685 C GLN A 113 11.438 0.923 1.300 1.00 0.00 C ATOM 1686 O GLN A 113 11.230 1.139 0.123 1.00 0.00 O ATOM 1687 CB GLN A 113 9.582 0.092 2.696 1.00 0.00 C ATOM 1688 CG GLN A 113 8.462 -0.901 2.530 1.00 0.00 C ATOM 1689 CD GLN A 113 7.756 -0.731 1.186 1.00 0.00 C ATOM 1690 OE1 GLN A 113 8.466 -0.214 0.186 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 6.586 -1.027 1.061 1.00 0.00 N flip ATOM 0 H GLN A 113 11.484 -0.959 3.764 1.00 0.00 H new ATOM 0 HA GLN A 113 10.562 -0.975 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.820 0.188 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.245 1.071 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.858 -1.914 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.742 -0.777 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.073 -1.421 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 113 6.116 -0.882 0.168 1.00 0.00 H new ATOM 1700 N MET A 114 12.196 1.694 2.063 1.00 0.00 N ATOM 1701 CA MET A 114 12.763 2.945 1.592 1.00 0.00 C ATOM 1702 C MET A 114 13.835 2.727 0.530 1.00 0.00 C ATOM 1703 O MET A 114 14.328 3.681 -0.062 1.00 0.00 O ATOM 1704 CB MET A 114 13.303 3.796 2.756 1.00 0.00 C ATOM 1705 CG MET A 114 14.775 3.616 3.086 1.00 0.00 C ATOM 1706 SD MET A 114 15.284 4.574 4.525 1.00 0.00 S ATOM 1707 CE MET A 114 17.029 4.196 4.539 1.00 0.00 C ATOM 0 H MET A 114 12.435 1.468 3.029 1.00 0.00 H new ATOM 0 HA MET A 114 11.950 3.499 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 114 13.129 4.847 2.523 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.720 3.567 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.977 2.560 3.267 1.00 0.00 H new ATOM 0 HG3 MET A 114 15.375 3.912 2.226 1.00 0.00 H new ATOM 0 HE1 MET A 114 17.506 4.711 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 114 17.167 3.120 4.649 1.00 0.00 H new ATOM 0 HE3 MET A 114 17.480 4.526 3.603 1.00 0.00 H new ATOM 1717 N GLN A 115 14.274 1.490 0.329 1.00 0.00 N ATOM 1718 CA GLN A 115 15.116 1.278 -0.871 1.00 0.00 C ATOM 1719 C GLN A 115 14.336 1.470 -2.158 1.00 0.00 C ATOM 1720 O GLN A 115 14.905 1.925 -3.151 1.00 0.00 O ATOM 1721 CB GLN A 115 15.945 -0.024 -0.918 1.00 0.00 C ATOM 1722 CG GLN A 115 17.162 -0.005 -0.011 1.00 0.00 C ATOM 1723 CD GLN A 115 16.789 0.030 1.418 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.758 -0.668 1.730 1.00 0.00 O flip ATOM 1725 NE2 GLN A 115 17.487 0.625 2.253 1.00 0.00 N flip ATOM 0 H GLN A 115 14.091 0.675 0.915 1.00 0.00 H new ATOM 0 HA GLN A 115 15.865 2.065 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.306 -0.861 -0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 115 16.270 -0.201 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.772 -0.887 -0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.776 0.864 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 115 18.296 1.166 1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.252 0.573 3.244 1.00 0.00 H new ATOM 1734 N TYR A 116 13.024 1.112 -2.147 1.00 0.00 N ATOM 1735 CA TYR A 116 12.083 1.294 -3.293 1.00 0.00 C ATOM 1736 C TYR A 116 12.612 0.597 -4.508 1.00 0.00 C ATOM 1737 O TYR A 116 12.263 0.960 -5.625 1.00 0.00 O ATOM 1738 CB TYR A 116 11.863 2.773 -3.657 1.00 0.00 C ATOM 1739 CG TYR A 116 11.528 3.660 -2.502 1.00 0.00 C ATOM 1740 CD1 TYR A 116 10.387 3.466 -1.737 1.00 0.00 C ATOM 1741 CD2 TYR A 116 12.375 4.694 -2.166 1.00 0.00 C ATOM 1742 CE1 TYR A 116 10.120 4.281 -0.658 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.114 5.508 -1.108 1.00 0.00 C ATOM 1744 CZ TYR A 116 10.997 5.302 -0.357 1.00 0.00 C ATOM 1745 OH TYR A 116 10.787 6.085 0.727 1.00 0.00 O ATOM 0 H TYR A 116 12.582 0.684 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 116 11.131 0.870 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 116 12.765 3.152 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.059 2.836 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 116 9.702 2.670 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 116 13.265 4.861 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 116 9.237 4.122 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 116 12.790 6.314 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 116 11.625 6.186 1.225 1.00 0.00 H new ATOM 1755 N ASP A 117 13.430 -0.428 -4.275 1.00 0.00 N ATOM 1756 CA ASP A 117 14.131 -1.136 -5.332 1.00 0.00 C ATOM 1757 C ASP A 117 13.135 -1.611 -6.379 1.00 0.00 C ATOM 1758 O ASP A 117 12.103 -2.197 -6.025 1.00 0.00 O ATOM 1759 CB ASP A 117 14.931 -2.299 -4.752 1.00 0.00 C ATOM 1760 CG ASP A 117 16.046 -2.724 -5.665 1.00 0.00 C ATOM 1761 OD1 ASP A 117 17.053 -1.978 -5.758 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.967 -3.793 -6.270 1.00 0.00 O ATOM 0 H ASP A 117 13.623 -0.789 -3.341 1.00 0.00 H new ATOM 0 HA ASP A 117 14.837 -0.460 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.344 -2.009 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.266 -3.144 -4.574 1.00 0.00 H new ATOM 1767 N PRO A 118 13.425 -1.329 -7.670 1.00 0.00 N ATOM 1768 CA PRO A 118 12.527 -1.535 -8.837 1.00 0.00 C ATOM 1769 C PRO A 118 11.592 -2.739 -8.791 1.00 0.00 C ATOM 1770 O PRO A 118 10.381 -2.614 -9.112 1.00 0.00 O ATOM 1771 CB PRO A 118 13.517 -1.704 -9.953 1.00 0.00 C ATOM 1772 CG PRO A 118 14.611 -0.760 -9.618 1.00 0.00 C ATOM 1773 CD PRO A 118 14.694 -0.719 -8.119 1.00 0.00 C ATOM 0 HA PRO A 118 11.822 -0.707 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.880 -2.730 -10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.071 -1.469 -10.919 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.555 -1.091 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.406 0.231 -10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.556 -1.277 -7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.796 0.303 -7.753 1.00 0.00 H new ATOM 1781 N GLY A 119 12.089 -3.855 -8.290 1.00 0.00 N ATOM 1782 CA GLY A 119 11.303 -5.055 -8.333 1.00 0.00 C ATOM 1783 C GLY A 119 10.327 -5.050 -7.187 1.00 0.00 C ATOM 1784 O GLY A 119 9.136 -5.170 -7.377 1.00 0.00 O ATOM 0 H GLY A 119 13.010 -3.948 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.769 -5.120 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.950 -5.930 -8.271 1.00 0.00 H new ATOM 1788 N LEU A 120 10.869 -4.859 -6.018 1.00 0.00 N ATOM 1789 CA LEU A 120 10.072 -4.767 -4.796 1.00 0.00 C ATOM 1790 C LEU A 120 8.989 -3.687 -4.934 1.00 0.00 C ATOM 1791 O LEU A 120 7.862 -3.889 -4.510 1.00 0.00 O ATOM 1792 CB LEU A 120 10.967 -4.450 -3.594 1.00 0.00 C ATOM 1793 CG LEU A 120 10.270 -4.345 -2.235 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.650 -5.680 -1.825 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.246 -3.849 -1.183 1.00 0.00 C ATOM 0 H LEU A 120 11.873 -4.761 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 120 9.589 -5.731 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.734 -5.222 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.480 -3.508 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 120 9.458 -3.623 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.163 -5.573 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.914 -5.983 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.430 -6.438 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.739 -3.778 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.080 -4.546 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.621 -2.866 -1.469 1.00 0.00 H new ATOM 1807 N PHE A 121 9.353 -2.548 -5.533 1.00 0.00 N ATOM 1808 CA PHE A 121 8.406 -1.458 -5.742 1.00 0.00 C ATOM 1809 C PHE A 121 7.245 -1.903 -6.653 1.00 0.00 C ATOM 1810 O PHE A 121 6.091 -1.543 -6.425 1.00 0.00 O ATOM 1811 CB PHE A 121 9.096 -0.171 -6.276 1.00 0.00 C ATOM 1812 CG PHE A 121 8.159 1.022 -6.361 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.813 1.732 -5.224 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.627 1.422 -7.572 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.956 2.813 -5.296 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.770 2.501 -7.646 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.434 3.197 -6.508 1.00 0.00 C ATOM 0 H PHE A 121 10.294 -2.361 -5.879 1.00 0.00 H new ATOM 0 HA PHE A 121 7.988 -1.202 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.934 0.080 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.508 -0.372 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 121 8.219 1.437 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.885 0.883 -8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.696 3.357 -4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.362 2.800 -8.600 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.763 4.041 -6.567 1.00 0.00 H new ATOM 1827 N ALA A 122 7.545 -2.722 -7.639 1.00 0.00 N ATOM 1828 CA ALA A 122 6.520 -3.234 -8.532 1.00 0.00 C ATOM 1829 C ALA A 122 5.626 -4.258 -7.806 1.00 0.00 C ATOM 1830 O ALA A 122 4.412 -4.351 -8.072 1.00 0.00 O ATOM 1831 CB ALA A 122 7.161 -3.846 -9.771 1.00 0.00 C ATOM 0 H ALA A 122 8.489 -3.049 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 122 5.886 -2.406 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.383 -4.226 -10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.742 -3.086 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.817 -4.664 -9.475 1.00 0.00 H new ATOM 1837 N GLN A 123 6.219 -4.993 -6.874 1.00 0.00 N ATOM 1838 CA GLN A 123 5.505 -6.003 -6.117 1.00 0.00 C ATOM 1839 C GLN A 123 4.533 -5.350 -5.161 1.00 0.00 C ATOM 1840 O GLN A 123 3.343 -5.671 -5.154 1.00 0.00 O ATOM 1841 CB GLN A 123 6.470 -6.877 -5.316 1.00 0.00 C ATOM 1842 CG GLN A 123 7.592 -7.502 -6.121 1.00 0.00 C ATOM 1843 CD GLN A 123 7.117 -8.286 -7.316 1.00 0.00 C ATOM 1844 OE1 GLN A 123 7.002 -7.746 -8.420 1.00 0.00 O ATOM 1845 NE2 GLN A 123 6.842 -9.537 -7.120 1.00 0.00 N ATOM 0 H GLN A 123 7.204 -4.904 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 123 4.966 -6.628 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.907 -6.273 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.901 -7.673 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.267 -6.715 -6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.170 -8.160 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.951 -9.944 -6.191 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.517 -10.115 -7.895 1.00 0.00 H new ATOM 1854 N ILE A 124 5.043 -4.403 -4.376 1.00 0.00 N ATOM 1855 CA ILE A 124 4.243 -3.718 -3.364 1.00 0.00 C ATOM 1856 C ILE A 124 3.066 -2.976 -3.973 1.00 0.00 C ATOM 1857 O ILE A 124 1.963 -3.019 -3.430 1.00 0.00 O ATOM 1858 CB ILE A 124 5.086 -2.769 -2.448 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.785 -1.707 -3.270 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.113 -3.571 -1.656 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.446 -0.621 -2.464 1.00 0.00 C ATOM 0 H ILE A 124 6.013 -4.091 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 124 3.850 -4.507 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 124 4.405 -2.277 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.539 -2.187 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.058 -1.251 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.692 -2.898 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.600 -4.303 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.782 -4.086 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.920 0.094 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.697 -0.109 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.200 -1.060 -1.811 1.00 0.00 H new ATOM 1873 N GLN A 125 3.299 -2.360 -5.125 1.00 0.00 N ATOM 1874 CA GLN A 125 2.290 -1.591 -5.838 1.00 0.00 C ATOM 1875 C GLN A 125 1.113 -2.522 -6.194 1.00 0.00 C ATOM 1876 O GLN A 125 -0.047 -2.339 -5.716 1.00 0.00 O ATOM 1877 CB GLN A 125 2.935 -1.042 -7.132 1.00 0.00 C ATOM 1878 CG GLN A 125 2.397 0.267 -7.706 1.00 0.00 C ATOM 1879 CD GLN A 125 0.931 0.276 -7.983 1.00 0.00 C ATOM 1880 OE1 GLN A 125 0.205 0.738 -7.039 1.00 0.00 O flip ATOM 1881 NE2 GLN A 125 0.463 -0.091 -9.066 1.00 0.00 N flip ATOM 0 H GLN A 125 4.204 -2.381 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 125 1.922 -0.768 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.000 -0.910 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.840 -1.807 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.625 1.073 -7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.928 0.486 -8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.081 -0.454 -9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -0.541 -0.031 -9.234 1.00 0.00 H new ATOM 1890 N ALA A 126 1.441 -3.567 -6.958 1.00 0.00 N ATOM 1891 CA ALA A 126 0.443 -4.472 -7.492 1.00 0.00 C ATOM 1892 C ALA A 126 -0.260 -5.299 -6.422 1.00 0.00 C ATOM 1893 O ALA A 126 -1.487 -5.410 -6.451 1.00 0.00 O ATOM 1894 CB ALA A 126 1.046 -5.379 -8.545 1.00 0.00 C ATOM 0 H ALA A 126 2.399 -3.801 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.320 -3.842 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.278 -6.049 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.444 -4.775 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.851 -5.966 -8.102 1.00 0.00 H new ATOM 1900 N ALA A 127 0.495 -5.838 -5.472 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.068 -6.743 -4.480 1.00 0.00 C ATOM 1902 C ALA A 127 -1.007 -6.019 -3.538 1.00 0.00 C ATOM 1903 O ALA A 127 -2.090 -6.557 -3.169 1.00 0.00 O ATOM 1904 CB ALA A 127 1.034 -7.448 -3.715 1.00 0.00 C ATOM 0 H ALA A 127 1.495 -5.664 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.654 -7.495 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.593 -8.120 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.648 -8.022 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.654 -6.709 -3.207 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.625 -4.801 -3.160 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.447 -3.998 -2.304 1.00 0.00 C ATOM 1912 C ALA A 128 -2.779 -3.728 -2.954 1.00 0.00 C ATOM 1913 O ALA A 128 -3.757 -4.178 -2.474 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.773 -2.690 -1.956 1.00 0.00 C ATOM 0 H ALA A 128 0.252 -4.362 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.603 -4.557 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.425 -2.107 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.167 -2.891 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.575 -2.129 -2.869 1.00 0.00 H new ATOM 1920 N THR A 129 -2.800 -3.063 -4.083 1.00 0.00 N ATOM 1921 CA THR A 129 -4.098 -2.719 -4.714 1.00 0.00 C ATOM 1922 C THR A 129 -4.981 -4.002 -5.035 1.00 0.00 C ATOM 1923 O THR A 129 -6.280 -3.992 -4.901 1.00 0.00 O ATOM 1924 CB THR A 129 -3.902 -1.794 -5.967 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.151 -1.466 -6.563 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.988 -2.422 -7.014 1.00 0.00 C ATOM 0 H THR A 129 -1.973 -2.747 -4.589 1.00 0.00 H new ATOM 0 HA THR A 129 -4.665 -2.146 -3.981 1.00 0.00 H new ATOM 0 HB THR A 129 -3.425 -0.884 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.109 -1.639 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.884 -1.743 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.007 -2.608 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.418 -3.364 -7.355 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.258 -5.142 -5.276 1.00 0.00 N ATOM 1935 CA LYS A 130 -4.851 -6.433 -5.655 1.00 0.00 C ATOM 1936 C LYS A 130 -5.717 -6.899 -4.517 1.00 0.00 C ATOM 1937 O LYS A 130 -6.735 -7.543 -4.708 1.00 0.00 O ATOM 1938 CB LYS A 130 -3.728 -7.450 -5.945 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.174 -8.833 -6.427 1.00 0.00 C ATOM 1940 CD LYS A 130 -2.958 -9.673 -6.850 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.337 -11.054 -7.384 1.00 0.00 C ATOM 1942 NZ LYS A 130 -3.842 -11.967 -6.337 1.00 0.00 N ATOM 0 H LYS A 130 -3.241 -5.172 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.457 -6.334 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.065 -7.023 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.139 -7.578 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.718 -9.344 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.861 -8.728 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.401 -9.134 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.291 -9.791 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -4.098 -10.941 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -2.465 -11.504 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.661 -12.494 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -3.092 -12.636 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -4.128 -11.415 -5.503 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.291 -6.550 -3.349 1.00 0.00 N ATOM 1957 CA ALA A 131 -5.996 -6.721 -2.149 1.00 0.00 C ATOM 1958 C ALA A 131 -6.986 -5.570 -2.013 1.00 0.00 C ATOM 1959 O ALA A 131 -8.200 -5.786 -2.084 1.00 0.00 O ATOM 1960 CB ALA A 131 -4.944 -6.685 -1.064 1.00 0.00 C ATOM 0 H ALA A 131 -4.381 -6.110 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.563 -7.651 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.420 -6.813 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.227 -7.490 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.426 -5.726 -1.091 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.456 -4.354 -2.014 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.165 -3.111 -1.658 1.00 0.00 C ATOM 1968 C TRP A 132 -8.223 -2.620 -2.673 1.00 0.00 C ATOM 1969 O TRP A 132 -8.488 -1.441 -2.772 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.207 -1.953 -1.323 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.275 -2.243 -0.201 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.773 -3.426 0.080 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.760 -1.362 0.790 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -3.893 -3.379 1.046 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.865 -2.128 1.545 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.919 -0.008 1.108 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.148 -1.609 2.566 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.204 0.482 2.139 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.331 -0.318 2.839 1.00 0.00 C ATOM 0 H TRP A 132 -5.483 -4.190 -2.271 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.715 -3.409 -0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.625 -1.709 -2.211 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.795 -1.069 -1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.056 -4.335 -0.430 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.322 -4.160 1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.592 0.622 0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.458 -2.214 3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.318 1.518 2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.767 0.121 3.648 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.798 -3.484 -3.411 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.953 -3.118 -4.219 1.00 0.00 C ATOM 1992 C ARG A 133 -11.253 -3.857 -3.862 1.00 0.00 C ATOM 1993 O ARG A 133 -12.339 -3.296 -3.850 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.626 -3.174 -5.722 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.832 -3.224 -6.685 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.460 -4.621 -6.754 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.951 -4.622 -6.574 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.769 -5.573 -7.050 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.300 -6.509 -7.867 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.063 -5.585 -6.708 1.00 0.00 N ATOM 0 H ARG A 133 -8.509 -4.459 -3.492 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.169 -2.081 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.024 -2.301 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.006 -4.052 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.584 -2.505 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.512 -2.922 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.219 -5.071 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.010 -5.250 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.369 -3.849 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.316 -6.506 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.924 -7.231 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.432 -4.869 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.680 -6.310 -7.073 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.060 -5.062 -3.529 1.00 0.00 N ATOM 2015 CA LYS A 134 -11.997 -6.190 -3.651 1.00 0.00 C ATOM 2016 C LYS A 134 -13.371 -6.185 -2.932 1.00 0.00 C ATOM 2017 O LYS A 134 -13.962 -7.241 -2.763 1.00 0.00 O ATOM 2018 CB LYS A 134 -11.188 -7.334 -3.235 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.559 -8.655 -3.792 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.472 -9.607 -3.455 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.161 -9.064 -3.970 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.158 -10.107 -4.272 1.00 0.00 N ATOM 0 H LYS A 134 -10.172 -5.356 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.372 -6.174 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -10.151 -7.132 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -11.229 -7.401 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -12.507 -8.994 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.691 -8.591 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -10.421 -9.752 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.675 -10.582 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.349 -8.483 -4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -8.747 -8.379 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.206 -9.746 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.347 -10.949 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -8.214 -10.361 -5.279 1.00 0.00 H new ATOM 2036 N LEU A 135 -13.921 -5.080 -2.624 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.203 -5.080 -1.925 1.00 0.00 C ATOM 2038 C LEU A 135 -16.386 -5.368 -2.862 1.00 0.00 C ATOM 2039 O LEU A 135 -16.350 -5.023 -4.050 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.405 -3.795 -1.140 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.783 -3.737 0.273 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.390 -4.279 0.292 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.697 -2.330 0.698 1.00 0.00 C ATOM 0 H LEU A 135 -13.535 -4.158 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.172 -5.903 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -14.996 -2.971 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.477 -3.619 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.414 -4.334 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.990 -4.219 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.400 -5.319 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.763 -3.694 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.259 -2.277 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.072 -1.776 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.696 -1.894 0.717 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.405 -6.107 -2.370 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.595 -6.381 -3.138 1.00 0.00 C ATOM 2057 C PRO A 136 -19.733 -5.360 -2.931 1.00 0.00 C ATOM 2058 O PRO A 136 -20.298 -4.862 -3.897 1.00 0.00 O ATOM 2059 CB PRO A 136 -19.025 -7.768 -2.650 1.00 0.00 C ATOM 2060 CG PRO A 136 -18.382 -7.956 -1.300 1.00 0.00 C ATOM 2061 CD PRO A 136 -17.431 -6.803 -1.071 1.00 0.00 C ATOM 0 HA PRO A 136 -18.385 -6.323 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.110 -7.836 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -18.703 -8.543 -3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.140 -7.986 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -17.847 -8.905 -1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.781 -6.148 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -16.439 -7.153 -0.784 1.00 0.00 H new