USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 790 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 89 THR OG1 : rot 180:sc= -0.446 USER MOD Set 1.2: A 102 ASN : amide:sc= -0.372 K(o=-0.82,f=2.2) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.629 USER MOD Set 2.2: A 100 THR OG1 : rot -105:sc= 0.67 USER MOD Set 3.1: A 57 GLN : amide:sc= -0.358 X(o=-1.9,f=-2) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.54! C(o=-1.9!,f=-3.1!) USER MOD Set 4.1: A 23 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Set 4.2: A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 165:sc= 0 (180deg=-0.254) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.31) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.4) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 38 GLN : amide:sc= -0.16 K(o=-0.16,f=-5.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00712 X(o=-0.0071,f=0.047) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 55 MET CE :methyl -150:sc= -1.29 (180deg=-2.61!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 70 THR OG1 : rot -27:sc= 0.602 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00514 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.483 (180deg=0.439) USER MOD Single : A 81 ASN : amide:sc= -3.04! K(o=-3!,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= -0.292 (180deg=-1.13) USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0423) USER MOD Single : A 88 TYR OH : rot -37:sc= 0.13 USER MOD Single : A 94 ASN : amide:sc= -1.8 K(o=-1.8,f=-7.9!) USER MOD Single : A 99 THR OG1 : rot -127:sc= 0.345 USER MOD Single : A 101 CYS SG : rot 130:sc= -0.634 USER MOD Single : A 103 THR OG1 : rot 120:sc= -1.77 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.532 -16.873 6.271 1.00 52.22 N ATOM 198 CA LYS A 13 15.710 -16.094 5.334 1.00 0.22 C ATOM 199 C LYS A 13 14.251 -16.563 5.358 1.00 54.30 C ATOM 200 O LYS A 13 13.974 -17.763 5.347 1.00 54.53 O ATOM 201 CB LYS A 13 16.257 -16.200 3.904 1.00 4.40 C ATOM 202 CG LYS A 13 17.666 -15.641 3.731 1.00 51.05 C ATOM 203 CD LYS A 13 18.080 -15.602 2.262 1.00 35.55 C ATOM 204 CE LYS A 13 18.041 -16.985 1.621 1.00 50.11 C ATOM 205 NZ LYS A 13 18.426 -16.944 0.184 1.00 23.20 N ATOM 0 HA LYS A 13 15.752 -15.053 5.654 1.00 0.22 H new ATOM 0 HB2 LYS A 13 16.254 -17.247 3.602 1.00 4.40 H new ATOM 0 HB3 LYS A 13 15.583 -15.672 3.229 1.00 4.40 H new ATOM 0 HG2 LYS A 13 17.713 -14.636 4.149 1.00 51.05 H new ATOM 0 HG3 LYS A 13 18.372 -16.253 4.292 1.00 51.05 H new ATOM 0 HD2 LYS A 13 17.417 -14.931 1.716 1.00 35.55 H new ATOM 0 HD3 LYS A 13 19.087 -15.192 2.180 1.00 35.55 H new ATOM 0 HE2 LYS A 13 18.715 -17.653 2.158 1.00 50.11 H new ATOM 0 HE3 LYS A 13 17.038 -17.401 1.716 1.00 50.11 H new ATOM 0 HZ1 LYS A 13 18.386 -17.904 -0.214 1.00 23.20 H new ATOM 0 HZ2 LYS A 13 17.768 -16.327 -0.334 1.00 23.20 H new ATOM 0 HZ3 LYS A 13 19.393 -16.572 0.094 1.00 23.20 H new ATOM 219 N ARG A 14 13.321 -15.615 5.375 1.00 74.51 N ATOM 220 CA ARG A 14 11.891 -15.931 5.401 1.00 60.31 C ATOM 221 C ARG A 14 11.137 -15.139 4.323 1.00 42.55 C ATOM 222 O ARG A 14 11.142 -13.906 4.332 1.00 15.12 O ATOM 223 CB ARG A 14 11.299 -15.620 6.784 1.00 34.21 C ATOM 224 CG ARG A 14 9.958 -16.295 7.050 1.00 50.14 C ATOM 225 CD ARG A 14 10.112 -17.805 7.230 1.00 13.05 C ATOM 226 NE ARG A 14 10.840 -18.140 8.455 1.00 43.01 N ATOM 227 CZ ARG A 14 12.051 -18.632 8.493 1.00 74.22 C ATOM 228 NH1 ARG A 14 12.719 -18.844 7.406 1.00 55.43 N ATOM 229 NH2 ARG A 14 12.594 -18.912 9.633 1.00 54.34 N ATOM 0 H ARG A 14 13.529 -14.616 5.371 1.00 74.51 H new ATOM 0 HA ARG A 14 11.777 -16.995 5.195 1.00 60.31 H new ATOM 0 HB2 ARG A 14 12.009 -15.931 7.550 1.00 34.21 H new ATOM 0 HB3 ARG A 14 11.177 -14.541 6.882 1.00 34.21 H new ATOM 0 HG2 ARG A 14 9.506 -15.866 7.944 1.00 50.14 H new ATOM 0 HG3 ARG A 14 9.279 -16.095 6.221 1.00 50.14 H new ATOM 0 HD2 ARG A 14 9.126 -18.269 7.256 1.00 13.05 H new ATOM 0 HD3 ARG A 14 10.638 -18.221 6.371 1.00 13.05 H new ATOM 0 HE ARG A 14 10.368 -17.978 9.344 1.00 43.01 H new ATOM 0 HH11 ARG A 14 12.302 -18.627 6.501 1.00 55.43 H new ATOM 0 HH12 ARG A 14 13.663 -19.228 7.454 1.00 55.43 H new ATOM 0 HH21 ARG A 14 12.078 -18.749 10.498 1.00 54.34 H new ATOM 0 HH22 ARG A 14 13.538 -19.296 9.668 1.00 54.34 H new ATOM 243 N ALA A 15 10.491 -15.853 3.403 1.00 42.54 N ATOM 244 CA ALA A 15 9.730 -15.221 2.319 1.00 70.54 C ATOM 245 C ALA A 15 8.550 -14.393 2.863 1.00 13.12 C ATOM 246 O ALA A 15 7.914 -14.781 3.847 1.00 24.40 O ATOM 247 CB ALA A 15 9.228 -16.282 1.342 1.00 72.03 C ATOM 0 H ALA A 15 10.478 -16.873 3.384 1.00 42.54 H new ATOM 0 HA ALA A 15 10.399 -14.538 1.794 1.00 70.54 H new ATOM 0 HB1 ALA A 15 8.665 -15.802 0.542 1.00 72.03 H new ATOM 0 HB2 ALA A 15 10.078 -16.817 0.918 1.00 72.03 H new ATOM 0 HB3 ALA A 15 8.583 -16.985 1.869 1.00 72.03 H new ATOM 253 N PRO A 16 8.231 -13.249 2.222 1.00 4.14 N ATOM 254 CA PRO A 16 7.166 -12.346 2.696 1.00 31.34 C ATOM 255 C PRO A 16 5.770 -12.990 2.658 1.00 23.23 C ATOM 256 O PRO A 16 5.325 -13.493 1.626 1.00 53.23 O ATOM 257 CB PRO A 16 7.249 -11.152 1.727 1.00 12.13 C ATOM 258 CG PRO A 16 7.910 -11.695 0.505 1.00 13.53 C ATOM 259 CD PRO A 16 8.869 -12.749 0.991 1.00 61.20 C ATOM 0 HA PRO A 16 7.307 -12.072 3.741 1.00 31.34 H new ATOM 0 HB2 PRO A 16 6.258 -10.759 1.499 1.00 12.13 H new ATOM 0 HB3 PRO A 16 7.826 -10.333 2.157 1.00 12.13 H new ATOM 0 HG2 PRO A 16 7.176 -12.120 -0.180 1.00 13.53 H new ATOM 0 HG3 PRO A 16 8.435 -10.909 -0.038 1.00 13.53 H new ATOM 0 HD2 PRO A 16 9.000 -13.543 0.256 1.00 61.20 H new ATOM 0 HD3 PRO A 16 9.856 -12.333 1.191 1.00 61.20 H new ATOM 267 N MET A 17 5.081 -12.959 3.797 1.00 54.32 N ATOM 268 CA MET A 17 3.740 -13.539 3.916 1.00 25.04 C ATOM 269 C MET A 17 2.722 -12.498 4.400 1.00 73.34 C ATOM 270 O MET A 17 2.916 -11.866 5.442 1.00 71.10 O ATOM 271 CB MET A 17 3.773 -14.732 4.886 1.00 70.23 C ATOM 272 CG MET A 17 2.397 -15.255 5.278 1.00 75.13 C ATOM 273 SD MET A 17 1.404 -15.742 3.856 1.00 72.01 S ATOM 274 CE MET A 17 -0.127 -16.210 4.666 1.00 2.11 C ATOM 0 H MET A 17 5.430 -12.536 4.657 1.00 54.32 H new ATOM 0 HA MET A 17 3.429 -13.880 2.929 1.00 25.04 H new ATOM 0 HB2 MET A 17 4.341 -15.542 4.429 1.00 70.23 H new ATOM 0 HB3 MET A 17 4.308 -14.438 5.789 1.00 70.23 H new ATOM 0 HG2 MET A 17 2.514 -16.110 5.943 1.00 75.13 H new ATOM 0 HG3 MET A 17 1.867 -14.485 5.839 1.00 75.13 H new ATOM 0 HE1 MET A 17 -0.924 -16.280 3.926 1.00 2.11 H new ATOM 0 HE2 MET A 17 0.000 -17.176 5.154 1.00 2.11 H new ATOM 0 HE3 MET A 17 -0.389 -15.459 5.411 1.00 2.11 H new ATOM 284 N PHE A 18 1.641 -12.320 3.639 1.00 40.44 N ATOM 285 CA PHE A 18 0.541 -11.450 4.062 1.00 63.24 C ATOM 286 C PHE A 18 -0.300 -12.133 5.147 1.00 21.51 C ATOM 287 O PHE A 18 -1.082 -13.041 4.861 1.00 34.22 O ATOM 288 CB PHE A 18 -0.365 -11.087 2.873 1.00 55.34 C ATOM 289 CG PHE A 18 0.263 -10.148 1.871 1.00 44.41 C ATOM 290 CD1 PHE A 18 0.276 -8.779 2.101 1.00 73.53 C ATOM 291 CD2 PHE A 18 0.823 -10.629 0.696 1.00 40.44 C ATOM 292 CE1 PHE A 18 0.835 -7.911 1.181 1.00 11.10 C ATOM 293 CE2 PHE A 18 1.386 -9.764 -0.226 1.00 15.00 C ATOM 294 CZ PHE A 18 1.391 -8.404 0.016 1.00 53.35 C ATOM 0 H PHE A 18 1.503 -12.764 2.731 1.00 40.44 H new ATOM 0 HA PHE A 18 0.980 -10.537 4.464 1.00 63.24 H new ATOM 0 HB2 PHE A 18 -0.655 -12.004 2.360 1.00 55.34 H new ATOM 0 HB3 PHE A 18 -1.279 -10.632 3.255 1.00 55.34 H new ATOM 0 HD1 PHE A 18 -0.156 -8.387 3.010 1.00 73.53 H new ATOM 0 HD2 PHE A 18 0.819 -11.691 0.499 1.00 40.44 H new ATOM 0 HE1 PHE A 18 0.837 -6.848 1.373 1.00 11.10 H new ATOM 0 HE2 PHE A 18 1.821 -10.152 -1.135 1.00 15.00 H new ATOM 0 HZ PHE A 18 1.828 -7.728 -0.704 1.00 53.35 H new ATOM 304 N ILE A 19 -0.133 -11.700 6.390 1.00 71.13 N ATOM 305 CA ILE A 19 -0.950 -12.208 7.496 1.00 24.51 C ATOM 306 C ILE A 19 -2.368 -11.630 7.408 1.00 11.24 C ATOM 307 O ILE A 19 -3.353 -12.278 7.766 1.00 71.54 O ATOM 308 CB ILE A 19 -0.324 -11.850 8.867 1.00 61.42 C ATOM 309 CG1 ILE A 19 1.164 -12.250 8.898 1.00 64.40 C ATOM 310 CG2 ILE A 19 -1.090 -12.540 9.995 1.00 33.44 C ATOM 311 CD1 ILE A 19 1.881 -11.875 10.181 1.00 22.33 C ATOM 0 H ILE A 19 0.557 -11.000 6.662 1.00 71.13 H new ATOM 0 HA ILE A 19 -0.992 -13.294 7.413 1.00 24.51 H new ATOM 0 HB ILE A 19 -0.393 -10.772 9.012 1.00 61.42 H new ATOM 0 HG12 ILE A 19 1.242 -13.327 8.753 1.00 64.40 H new ATOM 0 HG13 ILE A 19 1.674 -11.777 8.058 1.00 64.40 H new ATOM 0 HG21 ILE A 19 -0.640 -12.280 10.953 1.00 33.44 H new ATOM 0 HG22 ILE A 19 -2.130 -12.213 9.982 1.00 33.44 H new ATOM 0 HG23 ILE A 19 -1.048 -13.620 9.856 1.00 33.44 H new ATOM 0 HD11 ILE A 19 2.922 -12.191 10.122 1.00 22.33 H new ATOM 0 HD12 ILE A 19 1.837 -10.795 10.320 1.00 22.33 H new ATOM 0 HD13 ILE A 19 1.399 -12.369 11.025 1.00 22.33 H new ATOM 323 N TYR A 20 -2.446 -10.392 6.924 1.00 11.02 N ATOM 324 CA TYR A 20 -3.718 -9.730 6.622 1.00 14.10 C ATOM 325 C TYR A 20 -3.589 -8.947 5.312 1.00 3.04 C ATOM 326 O TYR A 20 -2.720 -8.084 5.193 1.00 14.33 O ATOM 327 CB TYR A 20 -4.118 -8.760 7.744 1.00 22.24 C ATOM 328 CG TYR A 20 -4.244 -9.404 9.111 1.00 41.00 C ATOM 329 CD1 TYR A 20 -5.370 -10.143 9.452 1.00 72.22 C ATOM 330 CD2 TYR A 20 -3.240 -9.262 10.061 1.00 63.21 C ATOM 331 CE1 TYR A 20 -5.491 -10.724 10.701 1.00 10.43 C ATOM 332 CE2 TYR A 20 -3.350 -9.839 11.309 1.00 32.31 C ATOM 333 CZ TYR A 20 -4.478 -10.569 11.626 1.00 32.01 C ATOM 334 OH TYR A 20 -4.597 -11.142 12.873 1.00 73.03 O ATOM 0 H TYR A 20 -1.627 -9.816 6.729 1.00 11.02 H new ATOM 0 HA TYR A 20 -4.487 -10.498 6.532 1.00 14.10 H new ATOM 0 HB2 TYR A 20 -3.378 -7.961 7.799 1.00 22.24 H new ATOM 0 HB3 TYR A 20 -5.070 -8.296 7.485 1.00 22.24 H new ATOM 0 HD1 TYR A 20 -6.164 -10.266 8.730 1.00 72.22 H new ATOM 0 HD2 TYR A 20 -2.357 -8.689 9.818 1.00 63.21 H new ATOM 0 HE1 TYR A 20 -6.373 -11.296 10.951 1.00 10.43 H new ATOM 0 HE2 TYR A 20 -2.558 -9.720 12.034 1.00 32.31 H new ATOM 0 HH TYR A 20 -3.798 -10.940 13.404 1.00 73.03 H new ATOM 344 N LYS A 21 -4.429 -9.255 4.329 1.00 20.40 N ATOM 345 CA LYS A 21 -4.417 -8.521 3.058 1.00 43.35 C ATOM 346 C LYS A 21 -5.095 -7.145 3.203 1.00 64.54 C ATOM 347 O LYS A 21 -6.094 -7.012 3.912 1.00 15.21 O ATOM 348 CB LYS A 21 -5.128 -9.328 1.961 1.00 14.22 C ATOM 349 CG LYS A 21 -6.605 -9.593 2.247 1.00 23.04 C ATOM 350 CD LYS A 21 -7.328 -10.176 1.036 1.00 33.22 C ATOM 351 CE LYS A 21 -7.316 -9.212 -0.149 1.00 72.53 C ATOM 352 NZ LYS A 21 -7.957 -7.910 0.185 1.00 75.52 N ATOM 0 H LYS A 21 -5.123 -10.001 4.382 1.00 20.40 H new ATOM 0 HA LYS A 21 -3.375 -8.370 2.777 1.00 43.35 H new ATOM 0 HB2 LYS A 21 -5.041 -8.792 1.016 1.00 14.22 H new ATOM 0 HB3 LYS A 21 -4.615 -10.282 1.835 1.00 14.22 H new ATOM 0 HG2 LYS A 21 -6.693 -10.281 3.088 1.00 23.04 H new ATOM 0 HG3 LYS A 21 -7.089 -8.663 2.545 1.00 23.04 H new ATOM 0 HD2 LYS A 21 -6.854 -11.114 0.746 1.00 33.22 H new ATOM 0 HD3 LYS A 21 -8.358 -10.409 1.305 1.00 33.22 H new ATOM 0 HE2 LYS A 21 -6.287 -9.039 -0.465 1.00 72.53 H new ATOM 0 HE3 LYS A 21 -7.837 -9.667 -0.992 1.00 72.53 H new ATOM 0 HZ1 LYS A 21 -8.296 -7.456 -0.687 1.00 75.52 H new ATOM 0 HZ2 LYS A 21 -8.760 -8.073 0.825 1.00 75.52 H new ATOM 0 HZ3 LYS A 21 -7.263 -7.291 0.651 1.00 75.52 H new ATOM 366 N PRO A 22 -4.556 -6.100 2.545 1.00 70.34 N ATOM 367 CA PRO A 22 -5.184 -4.767 2.542 1.00 72.14 C ATOM 368 C PRO A 22 -6.651 -4.807 2.059 1.00 45.14 C ATOM 369 O PRO A 22 -7.040 -5.664 1.254 1.00 43.11 O ATOM 370 CB PRO A 22 -4.299 -3.941 1.587 1.00 34.44 C ATOM 371 CG PRO A 22 -3.454 -4.940 0.859 1.00 33.43 C ATOM 372 CD PRO A 22 -3.295 -6.113 1.785 1.00 55.05 C ATOM 0 HA PRO A 22 -5.239 -4.342 3.544 1.00 72.14 H new ATOM 0 HB2 PRO A 22 -4.907 -3.361 0.892 1.00 34.44 H new ATOM 0 HB3 PRO A 22 -3.681 -3.233 2.139 1.00 34.44 H new ATOM 0 HG2 PRO A 22 -3.928 -5.243 -0.075 1.00 33.43 H new ATOM 0 HG3 PRO A 22 -2.484 -4.514 0.601 1.00 33.43 H new ATOM 0 HD2 PRO A 22 -3.162 -7.046 1.237 1.00 55.05 H new ATOM 0 HD3 PRO A 22 -2.429 -6.000 2.437 1.00 55.05 H new ATOM 380 N GLN A 23 -7.457 -3.872 2.556 1.00 71.12 N ATOM 381 CA GLN A 23 -8.907 -3.868 2.313 1.00 32.01 C ATOM 382 C GLN A 23 -9.386 -2.551 1.679 1.00 63.10 C ATOM 383 O GLN A 23 -8.862 -1.478 1.975 1.00 4.04 O ATOM 384 CB GLN A 23 -9.637 -4.131 3.639 1.00 20.31 C ATOM 385 CG GLN A 23 -9.076 -3.334 4.815 1.00 34.31 C ATOM 386 CD GLN A 23 -9.771 -3.641 6.131 1.00 24.25 C ATOM 387 OE1 GLN A 23 -10.298 -4.730 6.335 1.00 4.13 O ATOM 388 NE2 GLN A 23 -9.757 -2.693 7.048 1.00 1.11 N ATOM 0 H GLN A 23 -7.131 -3.098 3.135 1.00 71.12 H new ATOM 0 HA GLN A 23 -9.138 -4.659 1.599 1.00 32.01 H new ATOM 0 HB2 GLN A 23 -10.693 -3.888 3.517 1.00 20.31 H new ATOM 0 HB3 GLN A 23 -9.579 -5.194 3.871 1.00 20.31 H new ATOM 0 HG2 GLN A 23 -8.012 -3.547 4.915 1.00 34.31 H new ATOM 0 HG3 GLN A 23 -9.170 -2.269 4.602 1.00 34.31 H new ATOM 0 HE21 GLN A 23 -9.311 -1.798 6.849 1.00 1.11 H new ATOM 0 HE22 GLN A 23 -10.192 -2.855 7.956 1.00 1.11 H new ATOM 397 N SER A 24 -10.389 -2.650 0.807 1.00 21.21 N ATOM 398 CA SER A 24 -10.915 -1.488 0.072 1.00 22.10 C ATOM 399 C SER A 24 -11.621 -0.485 0.992 1.00 75.02 C ATOM 400 O SER A 24 -12.414 -0.864 1.859 1.00 11.12 O ATOM 401 CB SER A 24 -11.888 -1.942 -1.028 1.00 63.13 C ATOM 402 OG SER A 24 -12.972 -2.697 -0.494 1.00 42.21 O ATOM 0 H SER A 24 -10.860 -3.528 0.588 1.00 21.21 H new ATOM 0 HA SER A 24 -10.057 -0.986 -0.375 1.00 22.10 H new ATOM 0 HB2 SER A 24 -12.276 -1.069 -1.553 1.00 63.13 H new ATOM 0 HB3 SER A 24 -11.352 -2.544 -1.762 1.00 63.13 H new ATOM 0 HG SER A 24 -13.571 -2.968 -1.221 1.00 42.21 H new ATOM 408 N LYS A 25 -11.337 0.801 0.780 1.00 3.52 N ATOM 409 CA LYS A 25 -11.950 1.885 1.561 1.00 54.25 C ATOM 410 C LYS A 25 -12.471 3.002 0.642 1.00 2.54 C ATOM 411 O LYS A 25 -11.937 3.221 -0.447 1.00 5.51 O ATOM 412 CB LYS A 25 -10.931 2.473 2.554 1.00 62.43 C ATOM 413 CG LYS A 25 -10.436 1.479 3.605 1.00 15.23 C ATOM 414 CD LYS A 25 -11.580 0.953 4.471 1.00 53.34 C ATOM 415 CE LYS A 25 -11.101 -0.068 5.495 1.00 43.33 C ATOM 416 NZ LYS A 25 -12.239 -0.699 6.215 1.00 50.30 N ATOM 0 H LYS A 25 -10.681 1.123 0.068 1.00 3.52 H new ATOM 0 HA LYS A 25 -12.791 1.463 2.111 1.00 54.25 H new ATOM 0 HB2 LYS A 25 -10.074 2.852 1.997 1.00 62.43 H new ATOM 0 HB3 LYS A 25 -11.384 3.325 3.061 1.00 62.43 H new ATOM 0 HG2 LYS A 25 -9.941 0.644 3.110 1.00 15.23 H new ATOM 0 HG3 LYS A 25 -9.692 1.961 4.239 1.00 15.23 H new ATOM 0 HD2 LYS A 25 -12.057 1.787 4.987 1.00 53.34 H new ATOM 0 HD3 LYS A 25 -12.337 0.498 3.833 1.00 53.34 H new ATOM 0 HE2 LYS A 25 -10.515 -0.839 4.994 1.00 43.33 H new ATOM 0 HE3 LYS A 25 -10.441 0.419 6.213 1.00 43.33 H new ATOM 0 HZ1 LYS A 25 -11.876 -1.271 7.004 1.00 50.30 H new ATOM 0 HZ2 LYS A 25 -12.869 0.041 6.585 1.00 50.30 H new ATOM 0 HZ3 LYS A 25 -12.769 -1.309 5.560 1.00 50.30 H new ATOM 430 N LYS A 26 -13.517 3.706 1.079 1.00 31.42 N ATOM 431 CA LYS A 26 -14.048 4.847 0.321 1.00 14.55 C ATOM 432 C LYS A 26 -13.840 6.173 1.074 1.00 32.53 C ATOM 433 O LYS A 26 -13.845 6.208 2.309 1.00 11.35 O ATOM 434 CB LYS A 26 -15.539 4.652 0.009 1.00 1.41 C ATOM 435 CG LYS A 26 -16.443 4.677 1.237 1.00 23.04 C ATOM 436 CD LYS A 26 -17.918 4.663 0.846 1.00 23.22 C ATOM 437 CE LYS A 26 -18.829 4.816 2.059 1.00 72.13 C ATOM 438 NZ LYS A 26 -20.257 4.921 1.666 1.00 62.13 N ATOM 0 H LYS A 26 -14.013 3.510 1.949 1.00 31.42 H new ATOM 0 HA LYS A 26 -13.494 4.896 -0.616 1.00 14.55 H new ATOM 0 HB2 LYS A 26 -15.860 5.433 -0.680 1.00 1.41 H new ATOM 0 HB3 LYS A 26 -15.670 3.700 -0.505 1.00 1.41 H new ATOM 0 HG2 LYS A 26 -16.225 3.816 1.868 1.00 23.04 H new ATOM 0 HG3 LYS A 26 -16.231 5.568 1.828 1.00 23.04 H new ATOM 0 HD2 LYS A 26 -18.114 5.470 0.140 1.00 23.22 H new ATOM 0 HD3 LYS A 26 -18.149 3.729 0.334 1.00 23.22 H new ATOM 0 HE2 LYS A 26 -18.697 3.962 2.723 1.00 72.13 H new ATOM 0 HE3 LYS A 26 -18.540 5.704 2.621 1.00 72.13 H new ATOM 0 HZ1 LYS A 26 -20.845 5.024 2.518 1.00 62.13 H new ATOM 0 HZ2 LYS A 26 -20.388 5.751 1.053 1.00 62.13 H new ATOM 0 HZ3 LYS A 26 -20.540 4.062 1.152 1.00 62.13 H new ATOM 452 N VAL A 27 -13.648 7.257 0.321 1.00 71.25 N ATOM 453 CA VAL A 27 -13.466 8.603 0.893 1.00 21.22 C ATOM 454 C VAL A 27 -14.098 9.683 -0.005 1.00 54.30 C ATOM 455 O VAL A 27 -14.629 9.383 -1.075 1.00 62.12 O ATOM 456 CB VAL A 27 -11.963 8.944 1.091 1.00 62.43 C ATOM 457 CG1 VAL A 27 -11.318 8.035 2.134 1.00 54.33 C ATOM 458 CG2 VAL A 27 -11.214 8.859 -0.235 1.00 51.41 C ATOM 0 H VAL A 27 -13.613 7.233 -0.698 1.00 71.25 H new ATOM 0 HA VAL A 27 -13.964 8.595 1.863 1.00 21.22 H new ATOM 0 HB VAL A 27 -11.900 9.968 1.460 1.00 62.43 H new ATOM 0 HG11 VAL A 27 -10.267 8.300 2.248 1.00 54.33 H new ATOM 0 HG12 VAL A 27 -11.829 8.157 3.089 1.00 54.33 H new ATOM 0 HG13 VAL A 27 -11.397 6.997 1.811 1.00 54.33 H new ATOM 0 HG21 VAL A 27 -10.163 9.101 -0.076 1.00 51.41 H new ATOM 0 HG22 VAL A 27 -11.297 7.849 -0.636 1.00 51.41 H new ATOM 0 HG23 VAL A 27 -11.646 9.566 -0.943 1.00 51.41 H new ATOM 468 N LEU A 28 -14.039 10.940 0.440 1.00 62.22 N ATOM 469 CA LEU A 28 -14.522 12.082 -0.354 1.00 61.44 C ATOM 470 C LEU A 28 -13.352 12.835 -1.017 1.00 34.25 C ATOM 471 O LEU A 28 -12.209 12.762 -0.555 1.00 31.45 O ATOM 472 CB LEU A 28 -15.320 13.051 0.535 1.00 41.51 C ATOM 473 CG LEU A 28 -16.675 12.532 1.047 1.00 31.14 C ATOM 474 CD1 LEU A 28 -17.255 13.489 2.091 1.00 54.34 C ATOM 475 CD2 LEU A 28 -17.657 12.351 -0.113 1.00 24.44 C ATOM 0 H LEU A 28 -13.660 11.198 1.351 1.00 62.22 H new ATOM 0 HA LEU A 28 -15.170 11.691 -1.138 1.00 61.44 H new ATOM 0 HB2 LEU A 28 -14.705 13.314 1.396 1.00 41.51 H new ATOM 0 HB3 LEU A 28 -15.493 13.969 -0.026 1.00 41.51 H new ATOM 0 HG LEU A 28 -16.514 11.562 1.516 1.00 31.14 H new ATOM 0 HD11 LEU A 28 -18.213 13.107 2.442 1.00 54.34 H new ATOM 0 HD12 LEU A 28 -16.566 13.571 2.932 1.00 54.34 H new ATOM 0 HD13 LEU A 28 -17.399 14.472 1.643 1.00 54.34 H new ATOM 0 HD21 LEU A 28 -18.609 11.983 0.270 1.00 24.44 H new ATOM 0 HD22 LEU A 28 -17.812 13.308 -0.611 1.00 24.44 H new ATOM 0 HD23 LEU A 28 -17.251 11.633 -0.825 1.00 24.44 H new ATOM 487 N GLU A 29 -13.645 13.558 -2.097 1.00 32.22 N ATOM 488 CA GLU A 29 -12.620 14.325 -2.823 1.00 4.33 C ATOM 489 C GLU A 29 -11.998 15.424 -1.946 1.00 42.44 C ATOM 490 O GLU A 29 -12.637 16.435 -1.651 1.00 61.13 O ATOM 491 CB GLU A 29 -13.211 14.955 -4.092 1.00 33.13 C ATOM 492 CG GLU A 29 -13.738 13.939 -5.095 1.00 24.14 C ATOM 493 CD GLU A 29 -14.100 14.569 -6.430 1.00 40.42 C ATOM 494 OE1 GLU A 29 -15.231 15.073 -6.573 1.00 40.33 O ATOM 495 OE2 GLU A 29 -13.252 14.546 -7.346 1.00 55.23 O ATOM 0 H GLU A 29 -14.582 13.632 -2.493 1.00 32.22 H new ATOM 0 HA GLU A 29 -11.833 13.623 -3.099 1.00 4.33 H new ATOM 0 HB2 GLU A 29 -14.022 15.626 -3.809 1.00 33.13 H new ATOM 0 HB3 GLU A 29 -12.446 15.564 -4.574 1.00 33.13 H new ATOM 0 HG2 GLU A 29 -12.985 13.167 -5.254 1.00 24.14 H new ATOM 0 HG3 GLU A 29 -14.617 13.446 -4.680 1.00 24.14 H new ATOM 502 N GLY A 30 -10.749 15.217 -1.537 1.00 75.15 N ATOM 503 CA GLY A 30 -10.052 16.193 -0.702 1.00 4.34 C ATOM 504 C GLY A 30 -9.735 15.666 0.694 1.00 11.52 C ATOM 505 O GLY A 30 -9.047 16.329 1.474 1.00 73.41 O ATOM 0 H GLY A 30 -10.201 14.388 -1.768 1.00 75.15 H new ATOM 0 HA2 GLY A 30 -9.124 16.486 -1.193 1.00 4.34 H new ATOM 0 HA3 GLY A 30 -10.664 17.091 -0.615 1.00 4.34 H new ATOM 509 N ASP A 31 -10.248 14.481 1.017 1.00 35.11 N ATOM 510 CA ASP A 31 -9.986 13.844 2.313 1.00 61.22 C ATOM 511 C ASP A 31 -8.760 12.912 2.258 1.00 73.21 C ATOM 512 O ASP A 31 -7.975 12.944 1.305 1.00 44.34 O ATOM 513 CB ASP A 31 -11.235 13.081 2.778 1.00 21.23 C ATOM 514 CG ASP A 31 -12.343 14.027 3.212 1.00 55.14 C ATOM 515 OD1 ASP A 31 -13.123 14.476 2.351 1.00 5.20 O ATOM 516 OD2 ASP A 31 -12.416 14.350 4.420 1.00 23.02 O ATOM 0 H ASP A 31 -10.850 13.938 0.399 1.00 35.11 H new ATOM 0 HA ASP A 31 -9.756 14.627 3.035 1.00 61.22 H new ATOM 0 HB2 ASP A 31 -11.595 12.445 1.969 1.00 21.23 H new ATOM 0 HB3 ASP A 31 -10.972 12.424 3.607 1.00 21.23 H new ATOM 521 N SER A 32 -8.595 12.090 3.295 1.00 10.04 N ATOM 522 CA SER A 32 -7.429 11.200 3.411 1.00 11.13 C ATOM 523 C SER A 32 -7.835 9.762 3.761 1.00 75.21 C ATOM 524 O SER A 32 -8.913 9.516 4.307 1.00 34.54 O ATOM 525 CB SER A 32 -6.454 11.727 4.476 1.00 22.14 C ATOM 526 OG SER A 32 -7.068 11.805 5.756 1.00 32.50 O ATOM 0 H SER A 32 -9.253 12.019 4.071 1.00 10.04 H new ATOM 0 HA SER A 32 -6.940 11.188 2.437 1.00 11.13 H new ATOM 0 HB2 SER A 32 -5.584 11.073 4.529 1.00 22.14 H new ATOM 0 HB3 SER A 32 -6.094 12.714 4.184 1.00 22.14 H new ATOM 0 HG SER A 32 -6.420 12.142 6.410 1.00 32.50 H new ATOM 532 N VAL A 33 -6.957 8.816 3.438 1.00 43.42 N ATOM 533 CA VAL A 33 -7.188 7.399 3.736 1.00 64.11 C ATOM 534 C VAL A 33 -5.878 6.705 4.142 1.00 42.32 C ATOM 535 O VAL A 33 -4.789 7.142 3.761 1.00 74.33 O ATOM 536 CB VAL A 33 -7.801 6.658 2.516 1.00 41.30 C ATOM 537 CG1 VAL A 33 -6.796 6.562 1.365 1.00 2.40 C ATOM 538 CG2 VAL A 33 -8.317 5.272 2.914 1.00 14.33 C ATOM 0 H VAL A 33 -6.072 9.004 2.967 1.00 43.42 H new ATOM 0 HA VAL A 33 -7.893 7.356 4.566 1.00 64.11 H new ATOM 0 HB VAL A 33 -8.652 7.243 2.166 1.00 41.30 H new ATOM 0 HG11 VAL A 33 -7.253 6.039 0.525 1.00 2.40 H new ATOM 0 HG12 VAL A 33 -6.504 7.565 1.052 1.00 2.40 H new ATOM 0 HG13 VAL A 33 -5.914 6.014 1.697 1.00 2.40 H new ATOM 0 HG21 VAL A 33 -8.740 4.777 2.040 1.00 14.33 H new ATOM 0 HG22 VAL A 33 -7.493 4.676 3.305 1.00 14.33 H new ATOM 0 HG23 VAL A 33 -9.085 5.376 3.680 1.00 14.33 H new ATOM 548 N LYS A 34 -5.986 5.630 4.922 1.00 22.13 N ATOM 549 CA LYS A 34 -4.817 4.840 5.318 1.00 15.23 C ATOM 550 C LYS A 34 -5.086 3.331 5.183 1.00 52.01 C ATOM 551 O LYS A 34 -6.057 2.804 5.732 1.00 74.24 O ATOM 552 CB LYS A 34 -4.395 5.172 6.759 1.00 64.04 C ATOM 553 CG LYS A 34 -5.499 4.978 7.799 1.00 51.14 C ATOM 554 CD LYS A 34 -4.940 4.958 9.217 1.00 14.14 C ATOM 555 CE LYS A 34 -3.964 3.800 9.409 1.00 54.32 C ATOM 556 NZ LYS A 34 -3.460 3.711 10.801 1.00 73.22 N ATOM 0 H LYS A 34 -6.871 5.285 5.293 1.00 22.13 H new ATOM 0 HA LYS A 34 -4.003 5.103 4.643 1.00 15.23 H new ATOM 0 HB2 LYS A 34 -3.544 4.547 7.029 1.00 64.04 H new ATOM 0 HB3 LYS A 34 -4.055 6.207 6.796 1.00 64.04 H new ATOM 0 HG2 LYS A 34 -6.230 5.781 7.707 1.00 51.14 H new ATOM 0 HG3 LYS A 34 -6.025 4.044 7.602 1.00 51.14 H new ATOM 0 HD2 LYS A 34 -4.435 5.901 9.425 1.00 14.14 H new ATOM 0 HD3 LYS A 34 -5.758 4.870 9.932 1.00 14.14 H new ATOM 0 HE2 LYS A 34 -4.457 2.865 9.143 1.00 54.32 H new ATOM 0 HE3 LYS A 34 -3.122 3.921 8.728 1.00 54.32 H new ATOM 0 HZ1 LYS A 34 -3.279 2.716 11.042 1.00 73.22 H new ATOM 0 HZ2 LYS A 34 -2.577 4.254 10.886 1.00 73.22 H new ATOM 0 HZ3 LYS A 34 -4.170 4.101 11.453 1.00 73.22 H new ATOM 570 N LEU A 35 -4.218 2.647 4.445 1.00 45.23 N ATOM 571 CA LEU A 35 -4.323 1.196 4.250 1.00 24.32 C ATOM 572 C LEU A 35 -3.146 0.474 4.927 1.00 44.14 C ATOM 573 O LEU A 35 -1.995 0.652 4.530 1.00 13.11 O ATOM 574 CB LEU A 35 -4.345 0.874 2.747 1.00 33.52 C ATOM 575 CG LEU A 35 -5.505 1.503 1.952 1.00 34.33 C ATOM 576 CD1 LEU A 35 -5.379 1.184 0.462 1.00 22.14 C ATOM 577 CD2 LEU A 35 -6.852 1.032 2.497 1.00 52.31 C ATOM 0 H LEU A 35 -3.425 3.074 3.966 1.00 45.23 H new ATOM 0 HA LEU A 35 -5.250 0.847 4.706 1.00 24.32 H new ATOM 0 HB2 LEU A 35 -3.404 1.206 2.308 1.00 33.52 H new ATOM 0 HB3 LEU A 35 -4.389 -0.208 2.625 1.00 33.52 H new ATOM 0 HG LEU A 35 -5.451 2.585 2.071 1.00 34.33 H new ATOM 0 HD11 LEU A 35 -6.209 1.639 -0.079 1.00 22.14 H new ATOM 0 HD12 LEU A 35 -4.438 1.582 0.083 1.00 22.14 H new ATOM 0 HD13 LEU A 35 -5.400 0.104 0.318 1.00 22.14 H new ATOM 0 HD21 LEU A 35 -7.657 1.488 1.921 1.00 52.31 H new ATOM 0 HD22 LEU A 35 -6.918 -0.053 2.416 1.00 52.31 H new ATOM 0 HD23 LEU A 35 -6.943 1.324 3.543 1.00 52.31 H new ATOM 589 N GLU A 36 -3.430 -0.334 5.951 1.00 51.34 N ATOM 590 CA GLU A 36 -2.367 -1.024 6.700 1.00 43.14 C ATOM 591 C GLU A 36 -2.551 -2.553 6.721 1.00 13.42 C ATOM 592 O GLU A 36 -3.668 -3.060 6.838 1.00 64.05 O ATOM 593 CB GLU A 36 -2.282 -0.486 8.139 1.00 21.15 C ATOM 594 CG GLU A 36 -3.579 -0.610 8.937 1.00 75.12 C ATOM 595 CD GLU A 36 -3.402 -0.252 10.406 1.00 61.44 C ATOM 596 OE1 GLU A 36 -3.250 0.949 10.714 1.00 65.42 O ATOM 597 OE2 GLU A 36 -3.408 -1.167 11.256 1.00 61.53 O ATOM 0 H GLU A 36 -4.375 -0.528 6.281 1.00 51.34 H new ATOM 0 HA GLU A 36 -1.433 -0.817 6.177 1.00 43.14 H new ATOM 0 HB2 GLU A 36 -1.492 -1.020 8.667 1.00 21.15 H new ATOM 0 HB3 GLU A 36 -1.990 0.564 8.105 1.00 21.15 H new ATOM 0 HG2 GLU A 36 -4.335 0.041 8.497 1.00 75.12 H new ATOM 0 HG3 GLU A 36 -3.953 -1.631 8.859 1.00 75.12 H new ATOM 604 N CYS A 37 -1.436 -3.278 6.626 1.00 22.21 N ATOM 605 CA CYS A 37 -1.446 -4.751 6.621 1.00 41.12 C ATOM 606 C CYS A 37 -0.210 -5.331 7.333 1.00 72.11 C ATOM 607 O CYS A 37 0.747 -4.613 7.625 1.00 44.42 O ATOM 608 CB CYS A 37 -1.493 -5.270 5.180 1.00 25.12 C ATOM 609 SG CYS A 37 -0.103 -4.733 4.156 1.00 64.03 S ATOM 0 H CYS A 37 -0.504 -2.870 6.551 1.00 22.21 H new ATOM 0 HA CYS A 37 -2.335 -5.076 7.162 1.00 41.12 H new ATOM 0 HB2 CYS A 37 -1.517 -6.360 5.198 1.00 25.12 H new ATOM 0 HB3 CYS A 37 -2.422 -4.938 4.716 1.00 25.12 H new ATOM 0 HG CYS A 37 -0.231 -5.224 2.959 1.00 64.03 H new ATOM 615 N GLN A 38 -0.235 -6.638 7.606 1.00 33.23 N ATOM 616 CA GLN A 38 0.889 -7.320 8.271 1.00 71.21 C ATOM 617 C GLN A 38 1.639 -8.240 7.294 1.00 61.23 C ATOM 618 O GLN A 38 1.069 -9.202 6.771 1.00 61.24 O ATOM 619 CB GLN A 38 0.384 -8.147 9.464 1.00 35.51 C ATOM 620 CG GLN A 38 -0.307 -7.324 10.550 1.00 13.11 C ATOM 621 CD GLN A 38 0.618 -6.349 11.268 1.00 53.02 C ATOM 622 OE1 GLN A 38 0.190 -5.285 11.710 1.00 12.02 O ATOM 623 NE2 GLN A 38 1.882 -6.701 11.411 1.00 64.43 N ATOM 0 H GLN A 38 -1.019 -7.249 7.379 1.00 33.23 H new ATOM 0 HA GLN A 38 1.577 -6.552 8.625 1.00 71.21 H new ATOM 0 HB2 GLN A 38 -0.311 -8.903 9.099 1.00 35.51 H new ATOM 0 HB3 GLN A 38 1.227 -8.677 9.907 1.00 35.51 H new ATOM 0 HG2 GLN A 38 -1.129 -6.766 10.102 1.00 13.11 H new ATOM 0 HG3 GLN A 38 -0.744 -8.002 11.283 1.00 13.11 H new ATOM 0 HE21 GLN A 38 2.210 -7.590 11.034 1.00 64.43 H new ATOM 0 HE22 GLN A 38 2.531 -6.084 11.899 1.00 64.43 H new ATOM 632 N ILE A 39 2.913 -7.939 7.048 1.00 72.02 N ATOM 633 CA ILE A 39 3.759 -8.768 6.181 1.00 53.53 C ATOM 634 C ILE A 39 4.965 -9.320 6.960 1.00 52.12 C ATOM 635 O ILE A 39 5.831 -8.563 7.397 1.00 70.10 O ATOM 636 CB ILE A 39 4.278 -7.966 4.956 1.00 72.43 C ATOM 637 CG1 ILE A 39 3.101 -7.386 4.151 1.00 44.30 C ATOM 638 CG2 ILE A 39 5.161 -8.848 4.066 1.00 61.01 C ATOM 639 CD1 ILE A 39 3.528 -6.537 2.969 1.00 1.20 C ATOM 0 H ILE A 39 3.387 -7.124 7.437 1.00 72.02 H new ATOM 0 HA ILE A 39 3.140 -9.593 5.829 1.00 53.53 H new ATOM 0 HB ILE A 39 4.884 -7.137 5.321 1.00 72.43 H new ATOM 0 HG12 ILE A 39 2.479 -8.206 3.792 1.00 44.30 H new ATOM 0 HG13 ILE A 39 2.481 -6.783 4.815 1.00 44.30 H new ATOM 0 HG21 ILE A 39 5.514 -8.267 3.214 1.00 61.01 H new ATOM 0 HG22 ILE A 39 6.016 -9.205 4.641 1.00 61.01 H new ATOM 0 HG23 ILE A 39 4.582 -9.700 3.709 1.00 61.01 H new ATOM 0 HD11 ILE A 39 2.645 -6.164 2.451 1.00 1.20 H new ATOM 0 HD12 ILE A 39 4.124 -5.696 3.322 1.00 1.20 H new ATOM 0 HD13 ILE A 39 4.123 -7.141 2.283 1.00 1.20 H new ATOM 651 N SER A 40 5.027 -10.641 7.127 1.00 24.14 N ATOM 652 CA SER A 40 6.139 -11.269 7.862 1.00 3.42 C ATOM 653 C SER A 40 7.237 -11.770 6.911 1.00 31.45 C ATOM 654 O SER A 40 7.081 -12.800 6.249 1.00 40.32 O ATOM 655 CB SER A 40 5.629 -12.436 8.722 1.00 10.43 C ATOM 656 OG SER A 40 6.690 -13.050 9.442 1.00 3.04 O ATOM 0 H SER A 40 4.331 -11.296 6.770 1.00 24.14 H new ATOM 0 HA SER A 40 6.570 -10.505 8.509 1.00 3.42 H new ATOM 0 HB2 SER A 40 4.875 -12.073 9.421 1.00 10.43 H new ATOM 0 HB3 SER A 40 5.144 -13.175 8.085 1.00 10.43 H new ATOM 0 HG SER A 40 6.336 -13.788 9.981 1.00 3.04 H new ATOM 662 N ALA A 41 8.334 -11.016 6.825 1.00 35.51 N ATOM 663 CA ALA A 41 9.512 -11.421 6.043 1.00 3.01 C ATOM 664 C ALA A 41 10.807 -11.242 6.851 1.00 71.15 C ATOM 665 O ALA A 41 10.865 -10.425 7.771 1.00 40.13 O ATOM 666 CB ALA A 41 9.585 -10.628 4.743 1.00 13.32 C ATOM 0 H ALA A 41 8.435 -10.114 7.290 1.00 35.51 H new ATOM 0 HA ALA A 41 9.408 -12.480 5.805 1.00 3.01 H new ATOM 0 HB1 ALA A 41 10.462 -10.939 4.176 1.00 13.32 H new ATOM 0 HB2 ALA A 41 8.687 -10.813 4.153 1.00 13.32 H new ATOM 0 HB3 ALA A 41 9.658 -9.564 4.969 1.00 13.32 H new ATOM 672 N ILE A 42 11.842 -12.006 6.503 1.00 21.44 N ATOM 673 CA ILE A 42 13.156 -11.897 7.160 1.00 4.35 C ATOM 674 C ILE A 42 14.296 -12.007 6.125 1.00 64.33 C ATOM 675 O ILE A 42 14.532 -13.082 5.575 1.00 0.21 O ATOM 676 CB ILE A 42 13.356 -12.994 8.245 1.00 14.30 C ATOM 677 CG1 ILE A 42 12.254 -12.910 9.318 1.00 41.22 C ATOM 678 CG2 ILE A 42 14.742 -12.872 8.885 1.00 53.34 C ATOM 679 CD1 ILE A 42 12.361 -13.977 10.389 1.00 62.22 C ATOM 0 H ILE A 42 11.801 -12.712 5.768 1.00 21.44 H new ATOM 0 HA ILE A 42 13.185 -10.920 7.642 1.00 4.35 H new ATOM 0 HB ILE A 42 13.285 -13.968 7.761 1.00 14.30 H new ATOM 0 HG12 ILE A 42 12.294 -11.929 9.791 1.00 41.22 H new ATOM 0 HG13 ILE A 42 11.281 -12.991 8.833 1.00 41.22 H new ATOM 0 HG21 ILE A 42 14.863 -13.648 9.641 1.00 53.34 H new ATOM 0 HG22 ILE A 42 15.508 -12.989 8.119 1.00 53.34 H new ATOM 0 HG23 ILE A 42 14.842 -11.892 9.351 1.00 53.34 H new ATOM 0 HD11 ILE A 42 11.551 -13.853 11.108 1.00 62.22 H new ATOM 0 HD12 ILE A 42 12.290 -14.963 9.929 1.00 62.22 H new ATOM 0 HD13 ILE A 42 13.319 -13.884 10.901 1.00 62.22 H new ATOM 691 N PRO A 43 15.009 -10.899 5.818 1.00 44.51 N ATOM 692 CA PRO A 43 14.738 -9.556 6.380 1.00 63.45 C ATOM 693 C PRO A 43 13.528 -8.856 5.713 1.00 65.44 C ATOM 694 O PRO A 43 12.933 -9.398 4.782 1.00 35.44 O ATOM 695 CB PRO A 43 16.044 -8.807 6.070 1.00 42.35 C ATOM 696 CG PRO A 43 16.540 -9.428 4.809 1.00 22.21 C ATOM 697 CD PRO A 43 16.163 -10.886 4.891 1.00 34.32 C ATOM 0 HA PRO A 43 14.475 -9.590 7.437 1.00 63.45 H new ATOM 0 HB2 PRO A 43 15.869 -7.739 5.944 1.00 42.35 H new ATOM 0 HB3 PRO A 43 16.767 -8.918 6.878 1.00 42.35 H new ATOM 0 HG2 PRO A 43 16.088 -8.956 3.937 1.00 22.21 H new ATOM 0 HG3 PRO A 43 17.619 -9.308 4.713 1.00 22.21 H new ATOM 0 HD2 PRO A 43 15.895 -11.286 3.913 1.00 34.32 H new ATOM 0 HD3 PRO A 43 16.987 -11.492 5.269 1.00 34.32 H new ATOM 705 N PRO A 44 13.125 -7.648 6.185 1.00 11.21 N ATOM 706 CA PRO A 44 12.025 -6.882 5.561 1.00 12.31 C ATOM 707 C PRO A 44 12.207 -6.707 4.033 1.00 51.21 C ATOM 708 O PRO A 44 13.316 -6.456 3.553 1.00 1.41 O ATOM 709 CB PRO A 44 12.071 -5.517 6.282 1.00 4.40 C ATOM 710 CG PRO A 44 13.361 -5.506 7.040 1.00 53.01 C ATOM 711 CD PRO A 44 13.668 -6.943 7.357 1.00 24.31 C ATOM 0 HA PRO A 44 11.069 -7.395 5.666 1.00 12.31 H new ATOM 0 HB2 PRO A 44 12.029 -4.695 5.568 1.00 4.40 H new ATOM 0 HB3 PRO A 44 11.221 -5.400 6.954 1.00 4.40 H new ATOM 0 HG2 PRO A 44 14.158 -5.058 6.447 1.00 53.01 H new ATOM 0 HG3 PRO A 44 13.273 -4.916 7.952 1.00 53.01 H new ATOM 0 HD2 PRO A 44 14.738 -7.114 7.474 1.00 24.31 H new ATOM 0 HD3 PRO A 44 13.191 -7.266 8.282 1.00 24.31 H new ATOM 719 N PRO A 45 11.116 -6.843 3.248 1.00 74.40 N ATOM 720 CA PRO A 45 11.173 -6.777 1.783 1.00 32.12 C ATOM 721 C PRO A 45 10.997 -5.355 1.218 1.00 24.12 C ATOM 722 O PRO A 45 10.615 -4.424 1.931 1.00 55.21 O ATOM 723 CB PRO A 45 9.987 -7.658 1.389 1.00 10.00 C ATOM 724 CG PRO A 45 8.968 -7.407 2.456 1.00 45.13 C ATOM 725 CD PRO A 45 9.736 -7.079 3.721 1.00 12.21 C ATOM 0 HA PRO A 45 12.141 -7.092 1.393 1.00 32.12 H new ATOM 0 HB2 PRO A 45 9.604 -7.392 0.404 1.00 10.00 H new ATOM 0 HB3 PRO A 45 10.269 -8.710 1.348 1.00 10.00 H new ATOM 0 HG2 PRO A 45 8.311 -6.583 2.178 1.00 45.13 H new ATOM 0 HG3 PRO A 45 8.337 -8.283 2.602 1.00 45.13 H new ATOM 0 HD2 PRO A 45 9.328 -6.199 4.219 1.00 12.21 H new ATOM 0 HD3 PRO A 45 9.694 -7.899 4.438 1.00 12.21 H new ATOM 733 N LYS A 46 11.274 -5.199 -0.076 1.00 11.44 N ATOM 734 CA LYS A 46 11.044 -3.928 -0.764 1.00 61.25 C ATOM 735 C LYS A 46 9.577 -3.829 -1.216 1.00 32.31 C ATOM 736 O LYS A 46 9.057 -4.741 -1.862 1.00 13.34 O ATOM 737 CB LYS A 46 11.992 -3.793 -1.966 1.00 74.12 C ATOM 738 CG LYS A 46 11.877 -2.461 -2.702 1.00 63.21 C ATOM 739 CD LYS A 46 12.156 -1.272 -1.786 1.00 22.41 C ATOM 740 CE LYS A 46 11.977 0.051 -2.518 1.00 64.33 C ATOM 741 NZ LYS A 46 12.166 1.215 -1.616 1.00 31.14 N ATOM 0 H LYS A 46 11.657 -5.935 -0.669 1.00 11.44 H new ATOM 0 HA LYS A 46 11.249 -3.111 -0.073 1.00 61.25 H new ATOM 0 HB2 LYS A 46 13.019 -3.918 -1.622 1.00 74.12 H new ATOM 0 HB3 LYS A 46 11.790 -4.602 -2.667 1.00 74.12 H new ATOM 0 HG2 LYS A 46 12.578 -2.447 -3.537 1.00 63.21 H new ATOM 0 HG3 LYS A 46 10.877 -2.366 -3.124 1.00 63.21 H new ATOM 0 HD2 LYS A 46 11.485 -1.308 -0.928 1.00 22.41 H new ATOM 0 HD3 LYS A 46 13.173 -1.340 -1.399 1.00 22.41 H new ATOM 0 HE2 LYS A 46 12.690 0.110 -3.340 1.00 64.33 H new ATOM 0 HE3 LYS A 46 10.980 0.091 -2.957 1.00 64.33 H new ATOM 0 HZ1 LYS A 46 12.036 2.096 -2.154 1.00 31.14 H new ATOM 0 HZ2 LYS A 46 11.469 1.174 -0.845 1.00 31.14 H new ATOM 0 HZ3 LYS A 46 13.126 1.192 -1.216 1.00 31.14 H new ATOM 755 N LEU A 47 8.915 -2.725 -0.870 1.00 70.31 N ATOM 756 CA LEU A 47 7.481 -2.556 -1.135 1.00 42.35 C ATOM 757 C LEU A 47 7.231 -1.676 -2.370 1.00 13.34 C ATOM 758 O LEU A 47 7.625 -0.507 -2.400 1.00 5.10 O ATOM 759 CB LEU A 47 6.810 -1.920 0.088 1.00 11.13 C ATOM 760 CG LEU A 47 7.064 -2.639 1.424 1.00 54.11 C ATOM 761 CD1 LEU A 47 6.505 -1.830 2.590 1.00 4.30 C ATOM 762 CD2 LEU A 47 6.466 -4.046 1.406 1.00 24.10 C ATOM 0 H LEU A 47 9.349 -1.929 -0.403 1.00 70.31 H new ATOM 0 HA LEU A 47 7.056 -3.540 -1.332 1.00 42.35 H new ATOM 0 HB2 LEU A 47 7.155 -0.890 0.177 1.00 11.13 H new ATOM 0 HB3 LEU A 47 5.735 -1.882 -0.087 1.00 11.13 H new ATOM 0 HG LEU A 47 8.142 -2.730 1.559 1.00 54.11 H new ATOM 0 HD11 LEU A 47 6.696 -2.358 3.524 1.00 4.30 H new ATOM 0 HD12 LEU A 47 6.988 -0.853 2.620 1.00 4.30 H new ATOM 0 HD13 LEU A 47 5.431 -1.700 2.460 1.00 4.30 H new ATOM 0 HD21 LEU A 47 6.658 -4.535 2.361 1.00 24.10 H new ATOM 0 HD22 LEU A 47 5.390 -3.982 1.241 1.00 24.10 H new ATOM 0 HD23 LEU A 47 6.923 -4.625 0.603 1.00 24.10 H new ATOM 774 N PHE A 48 6.577 -2.240 -3.383 1.00 23.13 N ATOM 775 CA PHE A 48 6.208 -1.485 -4.589 1.00 11.12 C ATOM 776 C PHE A 48 4.684 -1.306 -4.692 1.00 24.12 C ATOM 777 O PHE A 48 3.943 -2.281 -4.792 1.00 75.11 O ATOM 778 CB PHE A 48 6.723 -2.198 -5.850 1.00 41.42 C ATOM 779 CG PHE A 48 8.227 -2.308 -5.920 1.00 52.22 C ATOM 780 CD1 PHE A 48 8.997 -1.217 -6.295 1.00 3.32 C ATOM 781 CD2 PHE A 48 8.866 -3.501 -5.616 1.00 12.10 C ATOM 782 CE1 PHE A 48 10.374 -1.314 -6.363 1.00 2.44 C ATOM 783 CE2 PHE A 48 10.242 -3.602 -5.684 1.00 60.40 C ATOM 784 CZ PHE A 48 10.997 -2.507 -6.058 1.00 11.44 C ATOM 0 H PHE A 48 6.289 -3.218 -3.397 1.00 23.13 H new ATOM 0 HA PHE A 48 6.671 -0.501 -4.513 1.00 11.12 H new ATOM 0 HB2 PHE A 48 6.293 -3.199 -5.891 1.00 41.42 H new ATOM 0 HB3 PHE A 48 6.366 -1.662 -6.730 1.00 41.42 H new ATOM 0 HD1 PHE A 48 8.515 -0.281 -6.537 1.00 3.32 H new ATOM 0 HD2 PHE A 48 8.281 -4.360 -5.323 1.00 12.10 H new ATOM 0 HE1 PHE A 48 10.962 -0.457 -6.655 1.00 2.44 H new ATOM 0 HE2 PHE A 48 10.727 -4.537 -5.445 1.00 60.40 H new ATOM 0 HZ PHE A 48 12.073 -2.585 -6.112 1.00 11.44 H new ATOM 794 N TRP A 49 4.223 -0.057 -4.661 1.00 13.43 N ATOM 795 CA TRP A 49 2.797 0.252 -4.834 1.00 44.13 C ATOM 796 C TRP A 49 2.528 0.865 -6.216 1.00 32.31 C ATOM 797 O TRP A 49 3.141 1.863 -6.599 1.00 31.23 O ATOM 798 CB TRP A 49 2.311 1.211 -3.737 1.00 20.04 C ATOM 799 CG TRP A 49 2.250 0.585 -2.376 1.00 70.24 C ATOM 800 CD1 TRP A 49 3.288 0.388 -1.511 1.00 31.14 C ATOM 801 CD2 TRP A 49 1.082 0.073 -1.725 1.00 63.34 C ATOM 802 NE1 TRP A 49 2.834 -0.211 -0.360 1.00 23.41 N ATOM 803 CE2 TRP A 49 1.483 -0.413 -0.467 1.00 22.54 C ATOM 804 CE3 TRP A 49 -0.268 -0.018 -2.082 1.00 13.20 C ATOM 805 CZ2 TRP A 49 0.587 -0.984 0.433 1.00 22.33 C ATOM 806 CZ3 TRP A 49 -1.158 -0.583 -1.188 1.00 52.44 C ATOM 807 CH2 TRP A 49 -0.728 -1.060 0.058 1.00 64.22 C ATOM 0 H TRP A 49 4.814 0.762 -4.518 1.00 13.43 H new ATOM 0 HA TRP A 49 2.245 -0.685 -4.756 1.00 44.13 H new ATOM 0 HB2 TRP A 49 2.975 2.075 -3.701 1.00 20.04 H new ATOM 0 HB3 TRP A 49 1.321 1.581 -4.002 1.00 20.04 H new ATOM 0 HD1 TRP A 49 4.315 0.662 -1.703 1.00 31.14 H new ATOM 0 HE1 TRP A 49 3.409 -0.464 0.443 1.00 23.41 H new ATOM 0 HE3 TRP A 49 -0.609 0.347 -3.040 1.00 13.20 H new ATOM 0 HZ2 TRP A 49 0.917 -1.354 1.392 1.00 22.33 H new ATOM 0 HZ3 TRP A 49 -2.202 -0.658 -1.454 1.00 52.44 H new ATOM 0 HH2 TRP A 49 -1.448 -1.496 0.735 1.00 64.22 H new ATOM 818 N LYS A 50 1.612 0.259 -6.962 1.00 50.15 N ATOM 819 CA LYS A 50 1.259 0.741 -8.299 1.00 13.13 C ATOM 820 C LYS A 50 -0.248 1.025 -8.405 1.00 2.25 C ATOM 821 O LYS A 50 -1.072 0.175 -8.076 1.00 1.25 O ATOM 822 CB LYS A 50 1.688 -0.302 -9.342 1.00 72.15 C ATOM 823 CG LYS A 50 1.411 0.103 -10.786 1.00 22.15 C ATOM 824 CD LYS A 50 1.959 -0.920 -11.780 1.00 13.14 C ATOM 825 CE LYS A 50 1.313 -2.290 -11.603 1.00 33.42 C ATOM 826 NZ LYS A 50 1.915 -3.305 -12.503 1.00 54.20 N ATOM 0 H LYS A 50 1.097 -0.570 -6.666 1.00 50.15 H new ATOM 0 HA LYS A 50 1.783 1.678 -8.487 1.00 13.13 H new ATOM 0 HB2 LYS A 50 2.755 -0.494 -9.229 1.00 72.15 H new ATOM 0 HB3 LYS A 50 1.172 -1.239 -9.135 1.00 72.15 H new ATOM 0 HG2 LYS A 50 0.336 0.212 -10.933 1.00 22.15 H new ATOM 0 HG3 LYS A 50 1.860 1.077 -10.982 1.00 22.15 H new ATOM 0 HD2 LYS A 50 1.787 -0.566 -12.797 1.00 13.14 H new ATOM 0 HD3 LYS A 50 3.038 -1.008 -11.652 1.00 13.14 H new ATOM 0 HE2 LYS A 50 1.422 -2.612 -10.567 1.00 33.42 H new ATOM 0 HE3 LYS A 50 0.244 -2.216 -11.802 1.00 33.42 H new ATOM 0 HZ1 LYS A 50 1.449 -4.222 -12.353 1.00 54.20 H new ATOM 0 HZ2 LYS A 50 1.788 -3.010 -13.492 1.00 54.20 H new ATOM 0 HZ3 LYS A 50 2.930 -3.394 -12.296 1.00 54.20 H new ATOM 840 N ARG A 51 -0.599 2.219 -8.876 1.00 31.31 N ATOM 841 CA ARG A 51 -2.003 2.613 -9.036 1.00 33.44 C ATOM 842 C ARG A 51 -2.395 2.662 -10.514 1.00 31.13 C ATOM 843 O ARG A 51 -1.882 3.497 -11.258 1.00 12.00 O ATOM 844 CB ARG A 51 -2.245 4.005 -8.438 1.00 2.02 C ATOM 845 CG ARG A 51 -3.702 4.459 -8.531 1.00 14.24 C ATOM 846 CD ARG A 51 -3.854 5.961 -8.315 1.00 23.24 C ATOM 847 NE ARG A 51 -3.346 6.726 -9.457 1.00 22.24 N ATOM 848 CZ ARG A 51 -4.099 7.463 -10.234 1.00 34.34 C ATOM 849 NH1 ARG A 51 -5.380 7.507 -10.056 1.00 53.51 N ATOM 850 NH2 ARG A 51 -3.576 8.118 -11.215 1.00 33.31 N ATOM 0 H ARG A 51 0.070 2.936 -9.156 1.00 31.31 H new ATOM 0 HA ARG A 51 -2.606 1.868 -8.517 1.00 33.44 H new ATOM 0 HB2 ARG A 51 -1.939 4.001 -7.392 1.00 2.02 H new ATOM 0 HB3 ARG A 51 -1.613 4.729 -8.953 1.00 2.02 H new ATOM 0 HG2 ARG A 51 -4.102 4.192 -9.509 1.00 14.24 H new ATOM 0 HG3 ARG A 51 -4.295 3.925 -7.788 1.00 14.24 H new ATOM 0 HD2 ARG A 51 -4.905 6.201 -8.154 1.00 23.24 H new ATOM 0 HD3 ARG A 51 -3.318 6.255 -7.412 1.00 23.24 H new ATOM 0 HE ARG A 51 -2.347 6.682 -9.658 1.00 22.24 H new ATOM 0 HH11 ARG A 51 -5.810 6.965 -9.306 1.00 53.51 H new ATOM 0 HH12 ARG A 51 -5.960 8.084 -10.665 1.00 53.51 H new ATOM 0 HH21 ARG A 51 -2.572 8.063 -11.388 1.00 33.31 H new ATOM 0 HH22 ARG A 51 -4.166 8.691 -11.818 1.00 33.31 H new ATOM 864 N ASN A 52 -3.306 1.785 -10.931 1.00 53.20 N ATOM 865 CA ASN A 52 -3.842 1.814 -12.301 1.00 63.51 C ATOM 866 C ASN A 52 -2.700 1.893 -13.342 1.00 21.14 C ATOM 867 O ASN A 52 -2.683 2.775 -14.201 1.00 40.00 O ATOM 868 CB ASN A 52 -4.797 3.012 -12.445 1.00 23.24 C ATOM 869 CG ASN A 52 -5.704 2.921 -13.663 1.00 23.34 C ATOM 870 OD1 ASN A 52 -5.359 3.365 -14.752 1.00 23.13 O ATOM 871 ND2 ASN A 52 -6.881 2.355 -13.484 1.00 62.43 N ATOM 0 H ASN A 52 -3.691 1.044 -10.345 1.00 53.20 H new ATOM 0 HA ASN A 52 -4.391 0.891 -12.489 1.00 63.51 H new ATOM 0 HB2 ASN A 52 -5.412 3.086 -11.548 1.00 23.24 H new ATOM 0 HB3 ASN A 52 -4.211 3.929 -12.506 1.00 23.24 H new ATOM 0 HD21 ASN A 52 -7.533 2.277 -14.264 1.00 62.43 H new ATOM 0 HD22 ASN A 52 -7.139 1.995 -12.565 1.00 62.43 H new ATOM 878 N ASN A 53 -1.732 0.976 -13.219 1.00 63.21 N ATOM 879 CA ASN A 53 -0.560 0.900 -14.120 1.00 44.23 C ATOM 880 C ASN A 53 0.510 1.982 -13.829 1.00 31.31 C ATOM 881 O ASN A 53 1.632 1.889 -14.329 1.00 73.21 O ATOM 882 CB ASN A 53 -0.988 0.958 -15.596 1.00 45.30 C ATOM 883 CG ASN A 53 -1.934 -0.170 -15.975 1.00 21.05 C ATOM 884 OD1 ASN A 53 -1.872 -1.268 -15.427 1.00 55.42 O ATOM 885 ND2 ASN A 53 -2.826 0.094 -16.906 1.00 54.43 N ATOM 0 H ASN A 53 -1.734 0.261 -12.492 1.00 63.21 H new ATOM 0 HA ASN A 53 -0.095 -0.065 -13.920 1.00 44.23 H new ATOM 0 HB2 ASN A 53 -1.472 1.915 -15.793 1.00 45.30 H new ATOM 0 HB3 ASN A 53 -0.102 0.913 -16.229 1.00 45.30 H new ATOM 0 HD21 ASN A 53 -3.492 -0.623 -17.192 1.00 54.43 H new ATOM 0 HD22 ASN A 53 -2.851 1.016 -17.342 1.00 54.43 H new ATOM 892 N GLU A 54 0.180 2.999 -13.024 1.00 52.04 N ATOM 893 CA GLU A 54 1.157 4.049 -12.668 1.00 12.42 C ATOM 894 C GLU A 54 1.950 3.700 -11.396 1.00 53.13 C ATOM 895 O GLU A 54 1.378 3.310 -10.378 1.00 62.52 O ATOM 896 CB GLU A 54 0.472 5.409 -12.455 1.00 54.21 C ATOM 897 CG GLU A 54 -0.200 5.984 -13.695 1.00 64.43 C ATOM 898 CD GLU A 54 -0.513 7.467 -13.543 1.00 52.50 C ATOM 899 OE1 GLU A 54 -1.399 7.818 -12.734 1.00 54.10 O ATOM 900 OE2 GLU A 54 0.128 8.293 -14.230 1.00 64.50 O ATOM 0 H GLU A 54 -0.743 3.122 -12.608 1.00 52.04 H new ATOM 0 HA GLU A 54 1.845 4.110 -13.511 1.00 12.42 H new ATOM 0 HB2 GLU A 54 -0.275 5.305 -11.669 1.00 54.21 H new ATOM 0 HB3 GLU A 54 1.214 6.122 -12.097 1.00 54.21 H new ATOM 0 HG2 GLU A 54 0.449 5.838 -14.559 1.00 64.43 H new ATOM 0 HG3 GLU A 54 -1.122 5.438 -13.893 1.00 64.43 H new ATOM 907 N MET A 55 3.270 3.856 -11.461 1.00 50.34 N ATOM 908 CA MET A 55 4.136 3.676 -10.288 1.00 41.23 C ATOM 909 C MET A 55 3.931 4.825 -9.282 1.00 2.23 C ATOM 910 O MET A 55 4.081 5.998 -9.631 1.00 4.35 O ATOM 911 CB MET A 55 5.609 3.625 -10.728 1.00 52.24 C ATOM 912 CG MET A 55 6.608 3.370 -9.597 1.00 34.43 C ATOM 913 SD MET A 55 6.973 1.615 -9.342 1.00 63.25 S ATOM 914 CE MET A 55 5.420 0.986 -8.705 1.00 72.43 C ATOM 0 H MET A 55 3.769 4.107 -12.314 1.00 50.34 H new ATOM 0 HA MET A 55 3.872 2.737 -9.802 1.00 41.23 H new ATOM 0 HB2 MET A 55 5.723 2.842 -11.478 1.00 52.24 H new ATOM 0 HB3 MET A 55 5.862 4.569 -11.212 1.00 52.24 H new ATOM 0 HG2 MET A 55 7.536 3.898 -9.816 1.00 34.43 H new ATOM 0 HG3 MET A 55 6.213 3.789 -8.672 1.00 34.43 H new ATOM 0 HE1 MET A 55 5.614 0.146 -8.038 1.00 72.43 H new ATOM 0 HE2 MET A 55 4.906 1.775 -8.155 1.00 72.43 H new ATOM 0 HE3 MET A 55 4.794 0.654 -9.534 1.00 72.43 H new ATOM 924 N VAL A 56 3.586 4.490 -8.038 1.00 15.51 N ATOM 925 CA VAL A 56 3.327 5.510 -7.013 1.00 53.25 C ATOM 926 C VAL A 56 4.633 6.086 -6.431 1.00 31.00 C ATOM 927 O VAL A 56 5.534 5.342 -6.034 1.00 63.32 O ATOM 928 CB VAL A 56 2.455 4.945 -5.861 1.00 22.03 C ATOM 929 CG1 VAL A 56 2.192 6.009 -4.796 1.00 34.41 C ATOM 930 CG2 VAL A 56 1.139 4.385 -6.407 1.00 42.53 C ATOM 0 H VAL A 56 3.479 3.529 -7.714 1.00 15.51 H new ATOM 0 HA VAL A 56 2.785 6.315 -7.509 1.00 53.25 H new ATOM 0 HB VAL A 56 3.005 4.131 -5.389 1.00 22.03 H new ATOM 0 HG11 VAL A 56 1.579 5.585 -4.001 1.00 34.41 H new ATOM 0 HG12 VAL A 56 3.140 6.349 -4.380 1.00 34.41 H new ATOM 0 HG13 VAL A 56 1.669 6.853 -5.246 1.00 34.41 H new ATOM 0 HG21 VAL A 56 0.541 3.993 -5.584 1.00 42.53 H new ATOM 0 HG22 VAL A 56 0.587 5.178 -6.911 1.00 42.53 H new ATOM 0 HG23 VAL A 56 1.350 3.584 -7.115 1.00 42.53 H new ATOM 940 N GLN A 57 4.728 7.415 -6.392 1.00 73.14 N ATOM 941 CA GLN A 57 5.901 8.100 -5.837 1.00 12.03 C ATOM 942 C GLN A 57 5.608 8.649 -4.434 1.00 11.52 C ATOM 943 O GLN A 57 4.619 9.350 -4.226 1.00 0.05 O ATOM 944 CB GLN A 57 6.342 9.238 -6.764 1.00 44.45 C ATOM 945 CG GLN A 57 6.727 8.772 -8.165 1.00 73.14 C ATOM 946 CD GLN A 57 7.280 9.884 -9.045 1.00 32.12 C ATOM 947 OE1 GLN A 57 7.105 9.869 -10.259 1.00 0.45 O ATOM 948 NE2 GLN A 57 7.972 10.841 -8.453 1.00 42.41 N ATOM 0 H GLN A 57 4.004 8.044 -6.740 1.00 73.14 H new ATOM 0 HA GLN A 57 6.708 7.372 -5.758 1.00 12.03 H new ATOM 0 HB2 GLN A 57 5.534 9.966 -6.842 1.00 44.45 H new ATOM 0 HB3 GLN A 57 7.192 9.752 -6.315 1.00 44.45 H new ATOM 0 HG2 GLN A 57 7.471 7.980 -8.084 1.00 73.14 H new ATOM 0 HG3 GLN A 57 5.851 8.339 -8.648 1.00 73.14 H new ATOM 0 HE21 GLN A 57 8.100 10.826 -7.441 1.00 42.41 H new ATOM 0 HE22 GLN A 57 8.378 11.595 -9.008 1.00 42.41 H new ATOM 957 N PHE A 58 6.484 8.342 -3.479 1.00 70.13 N ATOM 958 CA PHE A 58 6.257 8.702 -2.072 1.00 41.33 C ATOM 959 C PHE A 58 7.071 9.937 -1.649 1.00 34.32 C ATOM 960 O PHE A 58 7.166 10.255 -0.463 1.00 53.34 O ATOM 961 CB PHE A 58 6.602 7.506 -1.176 1.00 2.14 C ATOM 962 CG PHE A 58 5.901 6.234 -1.590 1.00 24.21 C ATOM 963 CD1 PHE A 58 4.531 6.092 -1.412 1.00 21.41 C ATOM 964 CD2 PHE A 58 6.610 5.185 -2.164 1.00 54.41 C ATOM 965 CE1 PHE A 58 3.885 4.932 -1.797 1.00 53.11 C ATOM 966 CE2 PHE A 58 5.966 4.024 -2.550 1.00 1.12 C ATOM 967 CZ PHE A 58 4.604 3.898 -2.367 1.00 60.34 C ATOM 0 H PHE A 58 7.358 7.845 -3.649 1.00 70.13 H new ATOM 0 HA PHE A 58 5.204 8.959 -1.958 1.00 41.33 H new ATOM 0 HB2 PHE A 58 7.680 7.343 -1.197 1.00 2.14 H new ATOM 0 HB3 PHE A 58 6.335 7.742 -0.146 1.00 2.14 H new ATOM 0 HD1 PHE A 58 3.964 6.897 -0.968 1.00 21.41 H new ATOM 0 HD2 PHE A 58 7.676 5.278 -2.310 1.00 54.41 H new ATOM 0 HE1 PHE A 58 2.819 4.834 -1.653 1.00 53.11 H new ATOM 0 HE2 PHE A 58 6.529 3.216 -2.994 1.00 1.12 H new ATOM 0 HZ PHE A 58 4.100 2.992 -2.669 1.00 60.34 H new ATOM 977 N ASN A 59 7.635 10.649 -2.623 1.00 4.41 N ATOM 978 CA ASN A 59 8.423 11.861 -2.348 1.00 73.25 C ATOM 979 C ASN A 59 7.515 13.096 -2.155 1.00 22.42 C ATOM 980 O ASN A 59 7.778 14.174 -2.692 1.00 3.12 O ATOM 981 CB ASN A 59 9.429 12.089 -3.487 1.00 42.42 C ATOM 982 CG ASN A 59 8.764 12.172 -4.851 1.00 14.12 C ATOM 983 OD1 ASN A 59 8.546 11.160 -5.511 1.00 22.14 O ATOM 984 ND2 ASN A 59 8.445 13.371 -5.289 1.00 23.02 N ATOM 0 H ASN A 59 7.564 10.412 -3.612 1.00 4.41 H new ATOM 0 HA ASN A 59 8.967 11.717 -1.415 1.00 73.25 H new ATOM 0 HB2 ASN A 59 9.980 13.010 -3.300 1.00 42.42 H new ATOM 0 HB3 ASN A 59 10.157 11.277 -3.491 1.00 42.42 H new ATOM 0 HD21 ASN A 59 8.003 13.480 -6.202 1.00 23.02 H new ATOM 0 HD22 ASN A 59 8.640 14.192 -4.716 1.00 23.02 H new ATOM 991 N THR A 60 6.447 12.924 -1.379 1.00 54.30 N ATOM 992 CA THR A 60 5.491 14.008 -1.101 1.00 1.01 C ATOM 993 C THR A 60 4.879 13.882 0.303 1.00 74.44 C ATOM 994 O THR A 60 4.965 12.831 0.940 1.00 5.52 O ATOM 995 CB THR A 60 4.351 14.043 -2.156 1.00 40.31 C ATOM 996 OG1 THR A 60 3.249 14.838 -1.686 1.00 31.41 O ATOM 997 CG2 THR A 60 3.866 12.637 -2.490 1.00 62.13 C ATOM 0 H THR A 60 6.216 12.040 -0.926 1.00 54.30 H new ATOM 0 HA THR A 60 6.055 14.939 -1.154 1.00 1.01 H new ATOM 0 HB THR A 60 4.755 14.494 -3.062 1.00 40.31 H new ATOM 0 HG1 THR A 60 2.542 14.850 -2.364 1.00 31.41 H new ATOM 0 HG21 THR A 60 3.068 12.694 -3.231 1.00 62.13 H new ATOM 0 HG22 THR A 60 4.694 12.053 -2.892 1.00 62.13 H new ATOM 0 HG23 THR A 60 3.489 12.158 -1.586 1.00 62.13 H new ATOM 1005 N ASP A 61 4.269 14.966 0.786 1.00 13.31 N ATOM 1006 CA ASP A 61 3.569 14.958 2.078 1.00 73.13 C ATOM 1007 C ASP A 61 2.148 14.392 1.933 1.00 71.22 C ATOM 1008 O ASP A 61 1.544 13.932 2.906 1.00 24.44 O ATOM 1009 CB ASP A 61 3.506 16.383 2.649 1.00 51.25 C ATOM 1010 CG ASP A 61 2.775 16.448 3.982 1.00 35.30 C ATOM 1011 OD1 ASP A 61 3.400 16.166 5.023 1.00 21.11 O ATOM 1012 OD2 ASP A 61 1.569 16.782 3.997 1.00 4.31 O ATOM 0 H ASP A 61 4.244 15.864 0.303 1.00 13.31 H new ATOM 0 HA ASP A 61 4.125 14.317 2.762 1.00 73.13 H new ATOM 0 HB2 ASP A 61 4.519 16.765 2.776 1.00 51.25 H new ATOM 0 HB3 ASP A 61 3.007 17.036 1.933 1.00 51.25 H new ATOM 1017 N ARG A 62 1.620 14.430 0.710 1.00 14.22 N ATOM 1018 CA ARG A 62 0.252 13.972 0.437 1.00 72.01 C ATOM 1019 C ARG A 62 0.194 12.449 0.226 1.00 42.32 C ATOM 1020 O ARG A 62 -0.786 11.802 0.592 1.00 41.43 O ATOM 1021 CB ARG A 62 -0.318 14.715 -0.782 1.00 20.23 C ATOM 1022 CG ARG A 62 -0.379 16.229 -0.585 1.00 54.13 C ATOM 1023 CD ARG A 62 -0.994 16.951 -1.778 1.00 30.33 C ATOM 1024 NE ARG A 62 -1.080 18.391 -1.544 1.00 42.55 N ATOM 1025 CZ ARG A 62 -1.835 19.207 -2.229 1.00 1.44 C ATOM 1026 NH1 ARG A 62 -2.552 18.772 -3.213 1.00 63.31 N ATOM 1027 NH2 ARG A 62 -1.869 20.462 -1.924 1.00 40.23 N ATOM 0 H ARG A 62 2.118 14.774 -0.111 1.00 14.22 H new ATOM 0 HA ARG A 62 -0.361 14.200 1.309 1.00 72.01 H new ATOM 0 HB2 ARG A 62 0.295 14.492 -1.655 1.00 20.23 H new ATOM 0 HB3 ARG A 62 -1.320 14.341 -0.992 1.00 20.23 H new ATOM 0 HG2 ARG A 62 -0.961 16.452 0.309 1.00 54.13 H new ATOM 0 HG3 ARG A 62 0.628 16.610 -0.414 1.00 54.13 H new ATOM 0 HD2 ARG A 62 -0.395 16.761 -2.669 1.00 30.33 H new ATOM 0 HD3 ARG A 62 -1.990 16.552 -1.973 1.00 30.33 H new ATOM 0 HE ARG A 62 -0.512 18.786 -0.795 1.00 42.55 H new ATOM 0 HH11 ARG A 62 -2.531 17.783 -3.461 1.00 63.31 H new ATOM 0 HH12 ARG A 62 -3.138 19.418 -3.741 1.00 63.31 H new ATOM 0 HH21 ARG A 62 -1.307 20.814 -1.149 1.00 40.23 H new ATOM 0 HH22 ARG A 62 -2.458 21.101 -2.458 1.00 40.23 H new ATOM 1041 N ILE A 63 1.241 11.888 -0.370 1.00 52.30 N ATOM 1042 CA ILE A 63 1.362 10.432 -0.529 1.00 1.15 C ATOM 1043 C ILE A 63 2.586 9.916 0.241 1.00 34.34 C ATOM 1044 O ILE A 63 3.702 10.401 0.048 1.00 74.43 O ATOM 1045 CB ILE A 63 1.492 10.024 -2.021 1.00 64.22 C ATOM 1046 CG1 ILE A 63 0.317 10.580 -2.847 1.00 61.42 C ATOM 1047 CG2 ILE A 63 1.573 8.502 -2.154 1.00 74.22 C ATOM 1048 CD1 ILE A 63 -1.041 10.060 -2.424 1.00 45.31 C ATOM 0 H ILE A 63 2.024 12.417 -0.754 1.00 52.30 H new ATOM 0 HA ILE A 63 0.452 9.986 -0.128 1.00 1.15 H new ATOM 0 HB ILE A 63 2.413 10.455 -2.413 1.00 64.22 H new ATOM 0 HG12 ILE A 63 0.317 11.667 -2.771 1.00 61.42 H new ATOM 0 HG13 ILE A 63 0.477 10.334 -3.897 1.00 61.42 H new ATOM 0 HG21 ILE A 63 1.664 8.233 -3.206 1.00 74.22 H new ATOM 0 HG22 ILE A 63 2.443 8.135 -1.609 1.00 74.22 H new ATOM 0 HG23 ILE A 63 0.670 8.052 -1.741 1.00 74.22 H new ATOM 0 HD11 ILE A 63 -1.812 10.501 -3.056 1.00 45.31 H new ATOM 0 HD12 ILE A 63 -1.063 8.975 -2.527 1.00 45.31 H new ATOM 0 HD13 ILE A 63 -1.226 10.330 -1.384 1.00 45.31 H new ATOM 1060 N SER A 64 2.381 8.936 1.116 1.00 44.40 N ATOM 1061 CA SER A 64 3.474 8.417 1.955 1.00 54.22 C ATOM 1062 C SER A 64 3.341 6.913 2.208 1.00 65.24 C ATOM 1063 O SER A 64 2.242 6.362 2.191 1.00 53.22 O ATOM 1064 CB SER A 64 3.511 9.149 3.306 1.00 11.23 C ATOM 1065 OG SER A 64 3.702 10.551 3.148 1.00 52.25 O ATOM 0 H SER A 64 1.479 8.484 1.267 1.00 44.40 H new ATOM 0 HA SER A 64 4.401 8.594 1.409 1.00 54.22 H new ATOM 0 HB2 SER A 64 2.579 8.968 3.842 1.00 11.23 H new ATOM 0 HB3 SER A 64 4.315 8.740 3.918 1.00 11.23 H new ATOM 0 HG SER A 64 3.718 10.980 4.029 1.00 52.25 H new ATOM 1071 N LEU A 65 4.473 6.260 2.450 1.00 52.52 N ATOM 1072 CA LEU A 65 4.505 4.832 2.781 1.00 71.52 C ATOM 1073 C LEU A 65 5.504 4.561 3.915 1.00 43.12 C ATOM 1074 O LEU A 65 6.637 5.044 3.881 1.00 1.22 O ATOM 1075 CB LEU A 65 4.901 4.007 1.549 1.00 3.54 C ATOM 1076 CG LEU A 65 5.011 2.488 1.780 1.00 43.32 C ATOM 1077 CD1 LEU A 65 3.640 1.881 2.066 1.00 20.44 C ATOM 1078 CD2 LEU A 65 5.677 1.807 0.585 1.00 71.22 C ATOM 0 H LEU A 65 5.393 6.700 2.423 1.00 52.52 H new ATOM 0 HA LEU A 65 3.507 4.540 3.107 1.00 71.52 H new ATOM 0 HB2 LEU A 65 4.168 4.186 0.762 1.00 3.54 H new ATOM 0 HB3 LEU A 65 5.860 4.372 1.181 1.00 3.54 H new ATOM 0 HG LEU A 65 5.639 2.320 2.655 1.00 43.32 H new ATOM 0 HD11 LEU A 65 3.743 0.808 2.226 1.00 20.44 H new ATOM 0 HD12 LEU A 65 3.217 2.342 2.959 1.00 20.44 H new ATOM 0 HD13 LEU A 65 2.979 2.060 1.218 1.00 20.44 H new ATOM 0 HD21 LEU A 65 5.745 0.735 0.769 1.00 71.22 H new ATOM 0 HD22 LEU A 65 5.084 1.985 -0.312 1.00 71.22 H new ATOM 0 HD23 LEU A 65 6.678 2.215 0.445 1.00 71.22 H new ATOM 1090 N TYR A 66 5.086 3.806 4.923 1.00 72.31 N ATOM 1091 CA TYR A 66 5.997 3.399 5.996 1.00 24.21 C ATOM 1092 C TYR A 66 5.709 1.969 6.467 1.00 30.34 C ATOM 1093 O TYR A 66 4.553 1.547 6.548 1.00 44.32 O ATOM 1094 CB TYR A 66 5.936 4.386 7.176 1.00 52.45 C ATOM 1095 CG TYR A 66 4.593 4.473 7.886 1.00 20.34 C ATOM 1096 CD1 TYR A 66 3.598 5.336 7.434 1.00 24.04 C ATOM 1097 CD2 TYR A 66 4.329 3.709 9.020 1.00 34.31 C ATOM 1098 CE1 TYR A 66 2.386 5.434 8.090 1.00 10.04 C ATOM 1099 CE2 TYR A 66 3.119 3.804 9.683 1.00 20.02 C ATOM 1100 CZ TYR A 66 2.150 4.666 9.214 1.00 55.14 C ATOM 1101 OH TYR A 66 0.944 4.765 9.873 1.00 50.00 O ATOM 0 H TYR A 66 4.131 3.463 5.024 1.00 72.31 H new ATOM 0 HA TYR A 66 7.008 3.416 5.589 1.00 24.21 H new ATOM 0 HB2 TYR A 66 6.695 4.102 7.905 1.00 52.45 H new ATOM 0 HB3 TYR A 66 6.200 5.379 6.811 1.00 52.45 H new ATOM 0 HD1 TYR A 66 3.777 5.939 6.556 1.00 24.04 H new ATOM 0 HD2 TYR A 66 5.083 3.030 9.389 1.00 34.31 H new ATOM 0 HE1 TYR A 66 1.626 6.109 7.725 1.00 10.04 H new ATOM 0 HE2 TYR A 66 2.934 3.206 10.563 1.00 20.02 H new ATOM 0 HH TYR A 66 0.940 4.157 10.642 1.00 50.00 H new ATOM 1111 N GLN A 67 6.770 1.221 6.754 1.00 62.33 N ATOM 1112 CA GLN A 67 6.645 -0.133 7.300 1.00 1.53 C ATOM 1113 C GLN A 67 7.204 -0.188 8.731 1.00 15.44 C ATOM 1114 O GLN A 67 8.347 0.208 8.984 1.00 53.45 O ATOM 1115 CB GLN A 67 7.358 -1.156 6.397 1.00 4.00 C ATOM 1116 CG GLN A 67 8.844 -0.881 6.179 1.00 0.52 C ATOM 1117 CD GLN A 67 9.529 -1.967 5.360 1.00 33.32 C ATOM 1118 OE1 GLN A 67 10.032 -2.942 5.903 1.00 21.42 O ATOM 1119 NE2 GLN A 67 9.556 -1.809 4.051 1.00 65.01 N ATOM 0 H GLN A 67 7.733 1.529 6.618 1.00 62.33 H new ATOM 0 HA GLN A 67 5.587 -0.393 7.333 1.00 1.53 H new ATOM 0 HB2 GLN A 67 7.245 -2.148 6.834 1.00 4.00 H new ATOM 0 HB3 GLN A 67 6.859 -1.176 5.428 1.00 4.00 H new ATOM 0 HG2 GLN A 67 8.962 0.078 5.674 1.00 0.52 H new ATOM 0 HG3 GLN A 67 9.339 -0.795 7.146 1.00 0.52 H new ATOM 0 HE21 GLN A 67 9.128 -0.986 3.628 1.00 65.01 H new ATOM 0 HE22 GLN A 67 10.005 -2.510 3.462 1.00 65.01 H new ATOM 1128 N ASP A 68 6.387 -0.657 9.665 1.00 63.24 N ATOM 1129 CA ASP A 68 6.786 -0.752 11.065 1.00 50.13 C ATOM 1130 C ASP A 68 7.773 -1.912 11.277 1.00 14.32 C ATOM 1131 O ASP A 68 7.819 -2.855 10.487 1.00 54.51 O ATOM 1132 CB ASP A 68 5.546 -0.936 11.947 1.00 13.32 C ATOM 1133 CG ASP A 68 5.868 -0.835 13.428 1.00 33.44 C ATOM 1134 OD1 ASP A 68 6.208 -1.868 14.039 1.00 75.31 O ATOM 1135 OD2 ASP A 68 5.803 0.279 13.980 1.00 41.33 O ATOM 0 H ASP A 68 5.438 -0.980 9.477 1.00 63.24 H new ATOM 0 HA ASP A 68 7.290 0.173 11.347 1.00 50.13 H new ATOM 0 HB2 ASP A 68 4.804 -0.181 11.687 1.00 13.32 H new ATOM 0 HB3 ASP A 68 5.098 -1.908 11.741 1.00 13.32 H new ATOM 1140 N ASN A 69 8.530 -1.844 12.364 1.00 74.23 N ATOM 1141 CA ASN A 69 9.581 -2.829 12.657 1.00 12.03 C ATOM 1142 C ASN A 69 9.017 -4.250 12.870 1.00 3.23 C ATOM 1143 O ASN A 69 9.751 -5.236 12.781 1.00 74.22 O ATOM 1144 CB ASN A 69 10.370 -2.371 13.886 1.00 55.50 C ATOM 1145 CG ASN A 69 10.981 -0.991 13.684 1.00 50.22 C ATOM 1146 OD1 ASN A 69 11.350 -0.619 12.573 1.00 24.11 O ATOM 1147 ND2 ASN A 69 11.079 -0.214 14.743 1.00 71.42 N ATOM 0 H ASN A 69 8.440 -1.112 13.068 1.00 74.23 H new ATOM 0 HA ASN A 69 10.241 -2.886 11.791 1.00 12.03 H new ATOM 0 HB2 ASN A 69 9.712 -2.353 14.755 1.00 55.50 H new ATOM 0 HB3 ASN A 69 11.160 -3.091 14.099 1.00 55.50 H new ATOM 0 HD21 ASN A 69 11.470 0.724 14.653 1.00 71.42 H new ATOM 0 HD22 ASN A 69 10.764 -0.550 15.653 1.00 71.42 H new ATOM 1154 N THR A 70 7.718 -4.350 13.156 1.00 41.34 N ATOM 1155 CA THR A 70 7.048 -5.659 13.294 1.00 52.03 C ATOM 1156 C THR A 70 6.559 -6.202 11.941 1.00 2.45 C ATOM 1157 O THR A 70 6.004 -7.300 11.869 1.00 43.20 O ATOM 1158 CB THR A 70 5.834 -5.580 14.252 1.00 23.52 C ATOM 1159 OG1 THR A 70 5.317 -6.898 14.518 1.00 74.44 O ATOM 1160 CG2 THR A 70 4.723 -4.715 13.662 1.00 2.10 C ATOM 0 H THR A 70 7.104 -3.548 13.298 1.00 41.34 H new ATOM 0 HA THR A 70 7.798 -6.335 13.704 1.00 52.03 H new ATOM 0 HB THR A 70 6.177 -5.127 15.182 1.00 23.52 H new ATOM 0 HG1 THR A 70 5.515 -7.486 13.759 1.00 74.44 H new ATOM 0 HG21 THR A 70 3.884 -4.678 14.356 1.00 2.10 H new ATOM 0 HG22 THR A 70 5.099 -3.706 13.492 1.00 2.10 H new ATOM 0 HG23 THR A 70 4.392 -5.143 12.716 1.00 2.10 H new ATOM 1168 N GLY A 71 6.752 -5.425 10.876 1.00 10.40 N ATOM 1169 CA GLY A 71 6.316 -5.842 9.542 1.00 62.22 C ATOM 1170 C GLY A 71 4.945 -5.289 9.140 1.00 32.34 C ATOM 1171 O GLY A 71 4.322 -5.783 8.200 1.00 53.21 O ATOM 0 H GLY A 71 7.203 -4.511 10.909 1.00 10.40 H new ATOM 0 HA2 GLY A 71 7.057 -5.519 8.810 1.00 62.22 H new ATOM 0 HA3 GLY A 71 6.284 -6.931 9.504 1.00 62.22 H new ATOM 1175 N ARG A 72 4.467 -4.263 9.844 1.00 30.03 N ATOM 1176 CA ARG A 72 3.179 -3.640 9.508 1.00 12.34 C ATOM 1177 C ARG A 72 3.354 -2.531 8.458 1.00 5.41 C ATOM 1178 O ARG A 72 3.967 -1.502 8.727 1.00 52.34 O ATOM 1179 CB ARG A 72 2.500 -3.060 10.759 1.00 51.34 C ATOM 1180 CG ARG A 72 1.178 -2.353 10.455 1.00 32.31 C ATOM 1181 CD ARG A 72 0.562 -1.705 11.692 1.00 44.32 C ATOM 1182 NE ARG A 72 0.131 -2.688 12.688 1.00 23.24 N ATOM 1183 CZ ARG A 72 -0.720 -2.428 13.646 1.00 32.21 C ATOM 1184 NH1 ARG A 72 -1.225 -1.244 13.761 1.00 34.31 N ATOM 1185 NH2 ARG A 72 -1.056 -3.350 14.491 1.00 54.24 N ATOM 0 H ARG A 72 4.944 -3.846 10.644 1.00 30.03 H new ATOM 0 HA ARG A 72 2.544 -4.422 9.092 1.00 12.34 H new ATOM 0 HB2 ARG A 72 2.319 -3.864 11.472 1.00 51.34 H new ATOM 0 HB3 ARG A 72 3.179 -2.356 11.239 1.00 51.34 H new ATOM 0 HG2 ARG A 72 1.345 -1.590 9.694 1.00 32.31 H new ATOM 0 HG3 ARG A 72 0.473 -3.072 10.037 1.00 32.31 H new ATOM 0 HD2 ARG A 72 1.289 -1.030 12.144 1.00 44.32 H new ATOM 0 HD3 ARG A 72 -0.293 -1.098 11.392 1.00 44.32 H new ATOM 0 HE ARG A 72 0.517 -3.630 12.631 1.00 23.24 H new ATOM 0 HH11 ARG A 72 -0.960 -0.510 13.104 1.00 34.31 H new ATOM 0 HH12 ARG A 72 -1.889 -1.043 14.509 1.00 34.31 H new ATOM 0 HH21 ARG A 72 -0.656 -4.285 14.411 1.00 54.24 H new ATOM 0 HH22 ARG A 72 -1.720 -3.141 15.236 1.00 54.24 H new ATOM 1199 N VAL A 73 2.798 -2.735 7.273 1.00 74.54 N ATOM 1200 CA VAL A 73 2.900 -1.752 6.189 1.00 24.43 C ATOM 1201 C VAL A 73 1.682 -0.818 6.182 1.00 55.02 C ATOM 1202 O VAL A 73 0.558 -1.265 6.389 1.00 72.41 O ATOM 1203 CB VAL A 73 3.006 -2.460 4.817 1.00 22.33 C ATOM 1204 CG1 VAL A 73 3.110 -1.446 3.678 1.00 1.24 C ATOM 1205 CG2 VAL A 73 4.191 -3.425 4.804 1.00 62.22 C ATOM 0 H VAL A 73 2.269 -3.573 7.031 1.00 74.54 H new ATOM 0 HA VAL A 73 3.801 -1.163 6.362 1.00 24.43 H new ATOM 0 HB VAL A 73 2.094 -3.036 4.661 1.00 22.33 H new ATOM 0 HG11 VAL A 73 3.183 -1.973 2.727 1.00 1.24 H new ATOM 0 HG12 VAL A 73 2.224 -0.811 3.674 1.00 1.24 H new ATOM 0 HG13 VAL A 73 3.997 -0.829 3.820 1.00 1.24 H new ATOM 0 HG21 VAL A 73 4.251 -3.914 3.832 1.00 62.22 H new ATOM 0 HG22 VAL A 73 5.112 -2.873 4.990 1.00 62.22 H new ATOM 0 HG23 VAL A 73 4.056 -4.177 5.581 1.00 62.22 H new ATOM 1215 N THR A 74 1.909 0.481 5.975 1.00 10.42 N ATOM 1216 CA THR A 74 0.807 1.457 5.912 1.00 1.01 C ATOM 1217 C THR A 74 0.991 2.473 4.774 1.00 24.01 C ATOM 1218 O THR A 74 2.026 3.137 4.679 1.00 65.34 O ATOM 1219 CB THR A 74 0.645 2.236 7.243 1.00 64.44 C ATOM 1220 OG1 THR A 74 0.430 1.326 8.337 1.00 14.30 O ATOM 1221 CG2 THR A 74 -0.525 3.213 7.169 1.00 13.11 C ATOM 0 H THR A 74 2.837 0.884 5.848 1.00 10.42 H new ATOM 0 HA THR A 74 -0.090 0.868 5.723 1.00 1.01 H new ATOM 0 HB THR A 74 1.565 2.796 7.409 1.00 64.44 H new ATOM 0 HG1 THR A 74 0.331 1.833 9.170 1.00 14.30 H new ATOM 0 HG21 THR A 74 -0.615 3.745 8.116 1.00 13.11 H new ATOM 0 HG22 THR A 74 -0.351 3.929 6.365 1.00 13.11 H new ATOM 0 HG23 THR A 74 -1.446 2.664 6.973 1.00 13.11 H new ATOM 1229 N LEU A 75 -0.024 2.585 3.919 1.00 53.15 N ATOM 1230 CA LEU A 75 -0.049 3.585 2.844 1.00 31.15 C ATOM 1231 C LEU A 75 -0.934 4.782 3.231 1.00 52.41 C ATOM 1232 O LEU A 75 -2.066 4.607 3.689 1.00 55.14 O ATOM 1233 CB LEU A 75 -0.571 2.953 1.543 1.00 40.25 C ATOM 1234 CG LEU A 75 -0.647 3.906 0.333 1.00 64.11 C ATOM 1235 CD1 LEU A 75 0.746 4.405 -0.052 1.00 70.12 C ATOM 1236 CD2 LEU A 75 -1.328 3.225 -0.853 1.00 40.02 C ATOM 0 H LEU A 75 -0.851 1.989 3.948 1.00 53.15 H new ATOM 0 HA LEU A 75 0.969 3.941 2.688 1.00 31.15 H new ATOM 0 HB2 LEU A 75 0.072 2.112 1.283 1.00 40.25 H new ATOM 0 HB3 LEU A 75 -1.566 2.548 1.729 1.00 40.25 H new ATOM 0 HG LEU A 75 -1.249 4.769 0.618 1.00 64.11 H new ATOM 0 HD11 LEU A 75 0.669 5.076 -0.908 1.00 70.12 H new ATOM 0 HD12 LEU A 75 1.186 4.940 0.790 1.00 70.12 H new ATOM 0 HD13 LEU A 75 1.378 3.556 -0.313 1.00 70.12 H new ATOM 0 HD21 LEU A 75 -1.370 3.916 -1.695 1.00 40.02 H new ATOM 0 HD22 LEU A 75 -0.761 2.339 -1.139 1.00 40.02 H new ATOM 0 HD23 LEU A 75 -2.340 2.933 -0.573 1.00 40.02 H new ATOM 1248 N LEU A 76 -0.409 5.993 3.044 1.00 64.43 N ATOM 1249 CA LEU A 76 -1.141 7.228 3.369 1.00 73.25 C ATOM 1250 C LEU A 76 -1.448 8.041 2.102 1.00 4.20 C ATOM 1251 O LEU A 76 -0.551 8.333 1.308 1.00 31.41 O ATOM 1252 CB LEU A 76 -0.321 8.090 4.343 1.00 42.13 C ATOM 1253 CG LEU A 76 0.063 7.413 5.669 1.00 54.44 C ATOM 1254 CD1 LEU A 76 0.902 8.354 6.531 1.00 43.35 C ATOM 1255 CD2 LEU A 76 -1.185 6.954 6.424 1.00 31.13 C ATOM 0 H LEU A 76 0.526 6.150 2.667 1.00 64.43 H new ATOM 0 HA LEU A 76 -2.084 6.943 3.836 1.00 73.25 H new ATOM 0 HB2 LEU A 76 0.593 8.406 3.839 1.00 42.13 H new ATOM 0 HB3 LEU A 76 -0.889 8.992 4.568 1.00 42.13 H new ATOM 0 HG LEU A 76 0.664 6.533 5.441 1.00 54.44 H new ATOM 0 HD11 LEU A 76 1.163 7.856 7.465 1.00 43.35 H new ATOM 0 HD12 LEU A 76 1.813 8.623 5.996 1.00 43.35 H new ATOM 0 HD13 LEU A 76 0.330 9.256 6.749 1.00 43.35 H new ATOM 0 HD21 LEU A 76 -0.890 6.478 7.359 1.00 31.13 H new ATOM 0 HD22 LEU A 76 -1.817 7.815 6.639 1.00 31.13 H new ATOM 0 HD23 LEU A 76 -1.738 6.241 5.813 1.00 31.13 H new ATOM 1267 N ILE A 77 -2.719 8.409 1.923 1.00 10.15 N ATOM 1268 CA ILE A 77 -3.149 9.197 0.758 1.00 33.22 C ATOM 1269 C ILE A 77 -3.992 10.415 1.184 1.00 32.35 C ATOM 1270 O ILE A 77 -5.055 10.263 1.785 1.00 23.05 O ATOM 1271 CB ILE A 77 -3.972 8.324 -0.229 1.00 34.14 C ATOM 1272 CG1 ILE A 77 -3.142 7.114 -0.698 1.00 1.35 C ATOM 1273 CG2 ILE A 77 -4.447 9.153 -1.426 1.00 35.11 C ATOM 1274 CD1 ILE A 77 -3.890 6.173 -1.618 1.00 5.40 C ATOM 0 H ILE A 77 -3.472 8.175 2.570 1.00 10.15 H new ATOM 0 HA ILE A 77 -2.247 9.551 0.260 1.00 33.22 H new ATOM 0 HB ILE A 77 -4.854 7.955 0.295 1.00 34.14 H new ATOM 0 HG12 ILE A 77 -2.251 7.475 -1.211 1.00 1.35 H new ATOM 0 HG13 ILE A 77 -2.803 6.558 0.176 1.00 1.35 H new ATOM 0 HG21 ILE A 77 -5.021 8.520 -2.103 1.00 35.11 H new ATOM 0 HG22 ILE A 77 -5.075 9.972 -1.075 1.00 35.11 H new ATOM 0 HG23 ILE A 77 -3.584 9.558 -1.953 1.00 35.11 H new ATOM 0 HD11 ILE A 77 -3.237 5.348 -1.903 1.00 5.40 H new ATOM 0 HD12 ILE A 77 -4.767 5.781 -1.103 1.00 5.40 H new ATOM 0 HD13 ILE A 77 -4.205 6.712 -2.511 1.00 5.40 H new ATOM 1286 N LYS A 78 -3.504 11.621 0.874 1.00 22.40 N ATOM 1287 CA LYS A 78 -4.205 12.873 1.214 1.00 12.34 C ATOM 1288 C LYS A 78 -4.707 13.599 -0.048 1.00 24.33 C ATOM 1289 O LYS A 78 -4.150 13.426 -1.133 1.00 22.15 O ATOM 1290 CB LYS A 78 -3.265 13.822 1.972 1.00 33.21 C ATOM 1291 CG LYS A 78 -2.559 13.207 3.180 1.00 12.15 C ATOM 1292 CD LYS A 78 -1.571 14.199 3.798 1.00 32.41 C ATOM 1293 CE LYS A 78 -0.752 13.587 4.930 1.00 32.22 C ATOM 1294 NZ LYS A 78 0.274 14.542 5.431 1.00 61.42 N ATOM 0 H LYS A 78 -2.620 11.761 0.385 1.00 22.40 H new ATOM 0 HA LYS A 78 -5.058 12.604 1.837 1.00 12.34 H new ATOM 0 HB2 LYS A 78 -2.510 14.191 1.278 1.00 33.21 H new ATOM 0 HB3 LYS A 78 -3.839 14.686 2.307 1.00 33.21 H new ATOM 0 HG2 LYS A 78 -3.297 12.910 3.925 1.00 12.15 H new ATOM 0 HG3 LYS A 78 -2.031 12.303 2.876 1.00 12.15 H new ATOM 0 HD2 LYS A 78 -0.897 14.564 3.023 1.00 32.41 H new ATOM 0 HD3 LYS A 78 -2.118 15.062 4.177 1.00 32.41 H new ATOM 0 HE2 LYS A 78 -1.414 13.299 5.747 1.00 32.22 H new ATOM 0 HE3 LYS A 78 -0.265 12.677 4.579 1.00 32.22 H new ATOM 0 HZ1 LYS A 78 1.129 14.019 5.707 1.00 61.42 H new ATOM 0 HZ2 LYS A 78 0.511 15.222 4.681 1.00 61.42 H new ATOM 0 HZ3 LYS A 78 -0.101 15.053 6.256 1.00 61.42 H new ATOM 1308 N ASP A 79 -5.758 14.414 0.110 1.00 13.13 N ATOM 1309 CA ASP A 79 -6.250 15.301 -0.965 1.00 31.20 C ATOM 1310 C ASP A 79 -6.668 14.505 -2.222 1.00 5.14 C ATOM 1311 O ASP A 79 -6.705 15.033 -3.335 1.00 23.23 O ATOM 1312 CB ASP A 79 -5.165 16.346 -1.303 1.00 31.32 C ATOM 1313 CG ASP A 79 -5.681 17.490 -2.166 1.00 25.44 C ATOM 1314 OD1 ASP A 79 -6.452 18.328 -1.653 1.00 31.24 O ATOM 1315 OD2 ASP A 79 -5.298 17.573 -3.354 1.00 12.15 O ATOM 0 H ASP A 79 -6.291 14.481 0.977 1.00 13.13 H new ATOM 0 HA ASP A 79 -7.144 15.813 -0.609 1.00 31.20 H new ATOM 0 HB2 ASP A 79 -4.760 16.753 -0.376 1.00 31.32 H new ATOM 0 HB3 ASP A 79 -4.343 15.852 -1.820 1.00 31.32 H new ATOM 1320 N VAL A 80 -7.020 13.239 -2.023 1.00 4.43 N ATOM 1321 CA VAL A 80 -7.377 12.348 -3.131 1.00 43.13 C ATOM 1322 C VAL A 80 -8.736 12.736 -3.753 1.00 1.24 C ATOM 1323 O VAL A 80 -9.696 13.030 -3.036 1.00 41.10 O ATOM 1324 CB VAL A 80 -7.423 10.874 -2.642 1.00 65.04 C ATOM 1325 CG1 VAL A 80 -8.599 10.638 -1.705 1.00 3.20 C ATOM 1326 CG2 VAL A 80 -7.471 9.900 -3.809 1.00 52.30 C ATOM 0 H VAL A 80 -7.067 12.802 -1.103 1.00 4.43 H new ATOM 0 HA VAL A 80 -6.611 12.451 -3.899 1.00 43.13 H new ATOM 0 HB VAL A 80 -6.502 10.692 -2.088 1.00 65.04 H new ATOM 0 HG11 VAL A 80 -8.603 9.597 -1.381 1.00 3.20 H new ATOM 0 HG12 VAL A 80 -8.508 11.289 -0.835 1.00 3.20 H new ATOM 0 HG13 VAL A 80 -9.530 10.859 -2.227 1.00 3.20 H new ATOM 0 HG21 VAL A 80 -7.502 8.879 -3.429 1.00 52.30 H new ATOM 0 HG22 VAL A 80 -8.362 10.092 -4.407 1.00 52.30 H new ATOM 0 HG23 VAL A 80 -6.583 10.030 -4.428 1.00 52.30 H new ATOM 1336 N ASN A 81 -8.813 12.761 -5.084 1.00 73.23 N ATOM 1337 CA ASN A 81 -10.088 13.041 -5.772 1.00 65.13 C ATOM 1338 C ASN A 81 -10.470 11.895 -6.726 1.00 22.24 C ATOM 1339 O ASN A 81 -9.749 10.904 -6.822 1.00 44.44 O ATOM 1340 CB ASN A 81 -10.035 14.403 -6.502 1.00 22.33 C ATOM 1341 CG ASN A 81 -9.293 14.409 -7.839 1.00 70.33 C ATOM 1342 OD1 ASN A 81 -9.593 15.212 -8.711 1.00 33.42 O ATOM 1343 ND2 ASN A 81 -8.344 13.525 -8.037 1.00 30.00 N ATOM 0 H ASN A 81 -8.022 12.594 -5.707 1.00 73.23 H new ATOM 0 HA ASN A 81 -10.872 13.105 -5.018 1.00 65.13 H new ATOM 0 HB2 ASN A 81 -11.056 14.743 -6.673 1.00 22.33 H new ATOM 0 HB3 ASN A 81 -9.563 15.130 -5.842 1.00 22.33 H new ATOM 0 HD21 ASN A 81 -7.846 13.502 -8.927 1.00 30.00 H new ATOM 0 HD22 ASN A 81 -8.104 12.861 -7.301 1.00 30.00 H new ATOM 1350 N LYS A 82 -11.606 12.027 -7.421 1.00 51.23 N ATOM 1351 CA LYS A 82 -12.102 10.966 -8.323 1.00 4.22 C ATOM 1352 C LYS A 82 -10.995 10.418 -9.238 1.00 10.14 C ATOM 1353 O LYS A 82 -10.920 9.213 -9.492 1.00 22.12 O ATOM 1354 CB LYS A 82 -13.240 11.498 -9.202 1.00 42.04 C ATOM 1355 CG LYS A 82 -14.521 11.863 -8.456 1.00 4.31 C ATOM 1356 CD LYS A 82 -15.277 10.640 -7.944 1.00 4.24 C ATOM 1357 CE LYS A 82 -16.718 10.987 -7.589 1.00 62.22 C ATOM 1358 NZ LYS A 82 -17.422 11.657 -8.715 1.00 14.23 N ATOM 0 H LYS A 82 -12.202 12.854 -7.380 1.00 51.23 H new ATOM 0 HA LYS A 82 -12.460 10.157 -7.686 1.00 4.22 H new ATOM 0 HB2 LYS A 82 -12.885 12.380 -9.734 1.00 42.04 H new ATOM 0 HB3 LYS A 82 -13.478 10.746 -9.954 1.00 42.04 H new ATOM 0 HG2 LYS A 82 -14.274 12.510 -7.614 1.00 4.31 H new ATOM 0 HG3 LYS A 82 -15.171 12.435 -9.118 1.00 4.31 H new ATOM 0 HD2 LYS A 82 -15.266 9.859 -8.704 1.00 4.24 H new ATOM 0 HD3 LYS A 82 -14.771 10.238 -7.066 1.00 4.24 H new ATOM 0 HE2 LYS A 82 -17.253 10.078 -7.316 1.00 62.22 H new ATOM 0 HE3 LYS A 82 -16.730 11.638 -6.715 1.00 62.22 H new ATOM 0 HZ1 LYS A 82 -18.449 11.544 -8.598 1.00 14.23 H new ATOM 0 HZ2 LYS A 82 -17.183 12.669 -8.721 1.00 14.23 H new ATOM 0 HZ3 LYS A 82 -17.127 11.226 -9.614 1.00 14.23 H new ATOM 1372 N LYS A 83 -10.134 11.314 -9.714 1.00 2.31 N ATOM 1373 CA LYS A 83 -9.088 10.952 -10.676 1.00 14.41 C ATOM 1374 C LYS A 83 -8.078 9.961 -10.072 1.00 51.11 C ATOM 1375 O LYS A 83 -7.409 9.217 -10.796 1.00 32.24 O ATOM 1376 CB LYS A 83 -8.345 12.212 -11.149 1.00 1.04 C ATOM 1377 CG LYS A 83 -9.254 13.361 -11.582 1.00 44.13 C ATOM 1378 CD LYS A 83 -10.344 12.903 -12.543 1.00 74.25 C ATOM 1379 CE LYS A 83 -11.087 14.079 -13.173 1.00 21.01 C ATOM 1380 NZ LYS A 83 -11.671 14.996 -12.159 1.00 64.21 N ATOM 0 H LYS A 83 -10.138 12.299 -9.450 1.00 2.31 H new ATOM 0 HA LYS A 83 -9.576 10.469 -11.523 1.00 14.41 H new ATOM 0 HB2 LYS A 83 -7.699 12.561 -10.343 1.00 1.04 H new ATOM 0 HB3 LYS A 83 -7.697 11.944 -11.984 1.00 1.04 H new ATOM 0 HG2 LYS A 83 -9.714 13.810 -10.701 1.00 44.13 H new ATOM 0 HG3 LYS A 83 -8.654 14.136 -12.059 1.00 44.13 H new ATOM 0 HD2 LYS A 83 -9.900 12.292 -13.329 1.00 74.25 H new ATOM 0 HD3 LYS A 83 -11.054 12.270 -12.010 1.00 74.25 H new ATOM 0 HE2 LYS A 83 -10.402 14.637 -13.810 1.00 21.01 H new ATOM 0 HE3 LYS A 83 -11.882 13.700 -13.815 1.00 21.01 H new ATOM 0 HZ1 LYS A 83 -12.262 15.708 -12.634 1.00 64.21 H new ATOM 0 HZ2 LYS A 83 -12.254 14.451 -11.493 1.00 64.21 H new ATOM 0 HZ3 LYS A 83 -10.906 15.472 -11.640 1.00 64.21 H new ATOM 1394 N ASP A 84 -7.969 9.955 -8.746 1.00 55.22 N ATOM 1395 CA ASP A 84 -6.970 9.142 -8.051 1.00 0.04 C ATOM 1396 C ASP A 84 -7.531 7.798 -7.560 1.00 42.12 C ATOM 1397 O ASP A 84 -6.793 6.992 -6.993 1.00 22.21 O ATOM 1398 CB ASP A 84 -6.387 9.920 -6.874 1.00 72.30 C ATOM 1399 CG ASP A 84 -5.809 11.250 -7.304 1.00 22.33 C ATOM 1400 OD1 ASP A 84 -4.847 11.253 -8.096 1.00 13.34 O ATOM 1401 OD2 ASP A 84 -6.331 12.297 -6.869 1.00 33.04 O ATOM 0 H ASP A 84 -8.563 10.507 -8.127 1.00 55.22 H new ATOM 0 HA ASP A 84 -6.187 8.918 -8.775 1.00 0.04 H new ATOM 0 HB2 ASP A 84 -7.165 10.087 -6.129 1.00 72.30 H new ATOM 0 HB3 ASP A 84 -5.609 9.325 -6.395 1.00 72.30 H new ATOM 1406 N ALA A 85 -8.821 7.536 -7.788 1.00 52.22 N ATOM 1407 CA ALA A 85 -9.399 6.255 -7.365 1.00 53.12 C ATOM 1408 C ALA A 85 -9.066 5.150 -8.379 1.00 52.42 C ATOM 1409 O ALA A 85 -9.088 5.375 -9.593 1.00 74.44 O ATOM 1410 CB ALA A 85 -10.912 6.388 -7.201 1.00 60.43 C ATOM 0 H ALA A 85 -9.470 8.173 -8.250 1.00 52.22 H new ATOM 0 HA ALA A 85 -8.965 5.980 -6.404 1.00 53.12 H new ATOM 0 HB1 ALA A 85 -11.329 5.431 -6.887 1.00 60.43 H new ATOM 0 HB2 ALA A 85 -11.131 7.144 -6.447 1.00 60.43 H new ATOM 0 HB3 ALA A 85 -11.356 6.683 -8.151 1.00 60.43 H new ATOM 1416 N GLY A 86 -8.769 3.959 -7.870 1.00 21.52 N ATOM 1417 CA GLY A 86 -8.365 2.845 -8.723 1.00 31.04 C ATOM 1418 C GLY A 86 -7.992 1.605 -7.916 1.00 50.32 C ATOM 1419 O GLY A 86 -8.201 1.561 -6.701 1.00 13.35 O ATOM 0 H GLY A 86 -8.800 3.740 -6.874 1.00 21.52 H new ATOM 0 HA2 GLY A 86 -9.178 2.600 -9.407 1.00 31.04 H new ATOM 0 HA3 GLY A 86 -7.515 3.148 -9.334 1.00 31.04 H new ATOM 1423 N TRP A 87 -7.443 0.597 -8.588 1.00 42.24 N ATOM 1424 CA TRP A 87 -6.874 -0.569 -7.900 1.00 54.43 C ATOM 1425 C TRP A 87 -5.362 -0.400 -7.672 1.00 23.01 C ATOM 1426 O TRP A 87 -4.593 -0.213 -8.619 1.00 20.31 O ATOM 1427 CB TRP A 87 -7.139 -1.855 -8.693 1.00 61.35 C ATOM 1428 CG TRP A 87 -8.556 -2.337 -8.590 1.00 3.11 C ATOM 1429 CD1 TRP A 87 -9.638 -1.861 -9.269 1.00 51.32 C ATOM 1430 CD2 TRP A 87 -9.039 -3.397 -7.757 1.00 11.34 C ATOM 1431 NE1 TRP A 87 -10.766 -2.555 -8.904 1.00 42.33 N ATOM 1432 CE2 TRP A 87 -10.423 -3.506 -7.979 1.00 54.34 C ATOM 1433 CE3 TRP A 87 -8.432 -4.265 -6.843 1.00 53.24 C ATOM 1434 CZ2 TRP A 87 -11.210 -4.447 -7.322 1.00 45.51 C ATOM 1435 CZ3 TRP A 87 -9.215 -5.199 -6.192 1.00 14.22 C ATOM 1436 CH2 TRP A 87 -10.590 -5.284 -6.434 1.00 22.52 C ATOM 0 H TRP A 87 -7.378 0.559 -9.605 1.00 42.24 H new ATOM 0 HA TRP A 87 -7.364 -0.645 -6.929 1.00 54.43 H new ATOM 0 HB2 TRP A 87 -6.897 -1.683 -9.742 1.00 61.35 H new ATOM 0 HB3 TRP A 87 -6.470 -2.638 -8.336 1.00 61.35 H new ATOM 0 HD1 TRP A 87 -9.612 -1.056 -9.989 1.00 51.32 H new ATOM 0 HE1 TRP A 87 -11.706 -2.389 -9.263 1.00 42.33 H new ATOM 0 HE3 TRP A 87 -7.371 -4.206 -6.650 1.00 53.24 H new ATOM 0 HZ2 TRP A 87 -12.272 -4.514 -7.506 1.00 45.51 H new ATOM 0 HZ3 TRP A 87 -8.758 -5.875 -5.484 1.00 14.22 H new ATOM 0 HH2 TRP A 87 -11.175 -6.025 -5.909 1.00 22.52 H new ATOM 1447 N TYR A 88 -4.952 -0.465 -6.408 1.00 52.01 N ATOM 1448 CA TYR A 88 -3.538 -0.394 -6.029 1.00 34.01 C ATOM 1449 C TYR A 88 -2.938 -1.802 -5.885 1.00 35.34 C ATOM 1450 O TYR A 88 -3.379 -2.599 -5.057 1.00 52.20 O ATOM 1451 CB TYR A 88 -3.383 0.371 -4.705 1.00 41.11 C ATOM 1452 CG TYR A 88 -3.697 1.853 -4.801 1.00 0.30 C ATOM 1453 CD1 TYR A 88 -5.001 2.302 -4.980 1.00 31.33 C ATOM 1454 CD2 TYR A 88 -2.683 2.805 -4.713 1.00 13.21 C ATOM 1455 CE1 TYR A 88 -5.285 3.652 -5.066 1.00 21.43 C ATOM 1456 CE2 TYR A 88 -2.963 4.154 -4.797 1.00 21.11 C ATOM 1457 CZ TYR A 88 -4.263 4.572 -4.976 1.00 65.13 C ATOM 1458 OH TYR A 88 -4.537 5.916 -5.067 1.00 64.03 O ATOM 0 H TYR A 88 -5.587 -0.568 -5.617 1.00 52.01 H new ATOM 0 HA TYR A 88 -3.002 0.134 -6.817 1.00 34.01 H new ATOM 0 HB2 TYR A 88 -4.038 -0.080 -3.959 1.00 41.11 H new ATOM 0 HB3 TYR A 88 -2.361 0.250 -4.346 1.00 41.11 H new ATOM 0 HD1 TYR A 88 -5.805 1.584 -5.053 1.00 31.33 H new ATOM 0 HD2 TYR A 88 -1.661 2.482 -4.577 1.00 13.21 H new ATOM 0 HE1 TYR A 88 -6.303 3.984 -5.203 1.00 21.43 H new ATOM 0 HE2 TYR A 88 -2.166 4.879 -4.723 1.00 21.11 H new ATOM 0 HH TYR A 88 -5.251 6.061 -5.723 1.00 64.03 H new ATOM 1468 N THR A 89 -1.945 -2.101 -6.711 1.00 12.11 N ATOM 1469 CA THR A 89 -1.262 -3.398 -6.672 1.00 70.33 C ATOM 1470 C THR A 89 0.069 -3.295 -5.913 1.00 43.34 C ATOM 1471 O THR A 89 0.996 -2.612 -6.355 1.00 24.00 O ATOM 1472 CB THR A 89 -0.995 -3.925 -8.104 1.00 14.25 C ATOM 1473 OG1 THR A 89 -2.235 -4.044 -8.819 1.00 32.31 O ATOM 1474 CG2 THR A 89 -0.293 -5.278 -8.081 1.00 44.30 C ATOM 0 H THR A 89 -1.589 -1.462 -7.422 1.00 12.11 H new ATOM 0 HA THR A 89 -1.917 -4.096 -6.150 1.00 70.33 H new ATOM 0 HB THR A 89 -0.342 -3.210 -8.605 1.00 14.25 H new ATOM 0 HG1 THR A 89 -2.060 -4.376 -9.724 1.00 32.31 H new ATOM 0 HG21 THR A 89 -0.122 -5.617 -9.103 1.00 44.30 H new ATOM 0 HG22 THR A 89 0.663 -5.183 -7.565 1.00 44.30 H new ATOM 0 HG23 THR A 89 -0.917 -6.003 -7.558 1.00 44.30 H new ATOM 1482 N VAL A 90 0.147 -3.959 -4.761 1.00 73.12 N ATOM 1483 CA VAL A 90 1.357 -3.936 -3.926 1.00 61.03 C ATOM 1484 C VAL A 90 2.211 -5.203 -4.117 1.00 73.32 C ATOM 1485 O VAL A 90 1.757 -6.324 -3.876 1.00 4.34 O ATOM 1486 CB VAL A 90 1.004 -3.764 -2.420 1.00 71.43 C ATOM 1487 CG1 VAL A 90 0.010 -4.831 -1.956 1.00 72.43 C ATOM 1488 CG2 VAL A 90 2.270 -3.784 -1.558 1.00 73.10 C ATOM 0 H VAL A 90 -0.613 -4.522 -4.380 1.00 73.12 H new ATOM 0 HA VAL A 90 1.942 -3.076 -4.252 1.00 61.03 H new ATOM 0 HB VAL A 90 0.526 -2.792 -2.300 1.00 71.43 H new ATOM 0 HG11 VAL A 90 -0.216 -4.683 -0.900 1.00 72.43 H new ATOM 0 HG12 VAL A 90 -0.908 -4.751 -2.538 1.00 72.43 H new ATOM 0 HG13 VAL A 90 0.445 -5.820 -2.099 1.00 72.43 H new ATOM 0 HG21 VAL A 90 1.998 -3.662 -0.509 1.00 73.10 H new ATOM 0 HG22 VAL A 90 2.786 -4.735 -1.691 1.00 73.10 H new ATOM 0 HG23 VAL A 90 2.928 -2.969 -1.859 1.00 73.10 H new ATOM 1498 N SER A 91 3.449 -5.014 -4.560 1.00 33.44 N ATOM 1499 CA SER A 91 4.403 -6.119 -4.725 1.00 51.20 C ATOM 1500 C SER A 91 5.514 -6.048 -3.669 1.00 25.03 C ATOM 1501 O SER A 91 6.348 -5.140 -3.689 1.00 32.42 O ATOM 1502 CB SER A 91 5.026 -6.093 -6.130 1.00 5.45 C ATOM 1503 OG SER A 91 4.048 -6.305 -7.140 1.00 3.35 O ATOM 0 H SER A 91 3.823 -4.100 -4.815 1.00 33.44 H new ATOM 0 HA SER A 91 3.854 -7.052 -4.595 1.00 51.20 H new ATOM 0 HB2 SER A 91 5.517 -5.133 -6.293 1.00 5.45 H new ATOM 0 HB3 SER A 91 5.796 -6.861 -6.201 1.00 5.45 H new ATOM 0 HG SER A 91 4.477 -6.281 -8.021 1.00 3.35 H new ATOM 1509 N ALA A 92 5.514 -7.002 -2.740 1.00 52.23 N ATOM 1510 CA ALA A 92 6.555 -7.089 -1.711 1.00 15.35 C ATOM 1511 C ALA A 92 7.619 -8.123 -2.105 1.00 74.45 C ATOM 1512 O ALA A 92 7.333 -9.321 -2.187 1.00 70.11 O ATOM 1513 CB ALA A 92 5.933 -7.449 -0.365 1.00 72.24 C ATOM 0 H ALA A 92 4.802 -7.730 -2.677 1.00 52.23 H new ATOM 0 HA ALA A 92 7.040 -6.117 -1.624 1.00 15.35 H new ATOM 0 HB1 ALA A 92 6.715 -7.511 0.392 1.00 72.24 H new ATOM 0 HB2 ALA A 92 5.212 -6.682 -0.081 1.00 72.24 H new ATOM 0 HB3 ALA A 92 5.427 -8.411 -0.444 1.00 72.24 H new ATOM 1519 N VAL A 93 8.847 -7.661 -2.343 1.00 62.01 N ATOM 1520 CA VAL A 93 9.924 -8.542 -2.815 1.00 52.10 C ATOM 1521 C VAL A 93 11.077 -8.675 -1.802 1.00 53.41 C ATOM 1522 O VAL A 93 11.738 -7.701 -1.436 1.00 23.13 O ATOM 1523 CB VAL A 93 10.483 -8.068 -4.184 1.00 3.10 C ATOM 1524 CG1 VAL A 93 11.029 -6.644 -4.098 1.00 53.01 C ATOM 1525 CG2 VAL A 93 11.553 -9.037 -4.703 1.00 34.15 C ATOM 0 H VAL A 93 9.123 -6.687 -2.218 1.00 62.01 H new ATOM 0 HA VAL A 93 9.472 -9.527 -2.932 1.00 52.10 H new ATOM 0 HB VAL A 93 9.658 -8.062 -4.896 1.00 3.10 H new ATOM 0 HG11 VAL A 93 11.413 -6.342 -5.072 1.00 53.01 H new ATOM 0 HG12 VAL A 93 10.231 -5.966 -3.796 1.00 53.01 H new ATOM 0 HG13 VAL A 93 11.834 -6.607 -3.364 1.00 53.01 H new ATOM 0 HG21 VAL A 93 11.929 -8.683 -5.663 1.00 34.15 H new ATOM 0 HG22 VAL A 93 12.374 -9.089 -3.988 1.00 34.15 H new ATOM 0 HG23 VAL A 93 11.117 -10.028 -4.827 1.00 34.15 H new ATOM 1535 N ASN A 94 11.286 -9.901 -1.333 1.00 14.05 N ATOM 1536 CA ASN A 94 12.431 -10.245 -0.485 1.00 1.54 C ATOM 1537 C ASN A 94 13.398 -11.159 -1.258 1.00 60.53 C ATOM 1538 O ASN A 94 12.993 -11.853 -2.191 1.00 42.41 O ATOM 1539 CB ASN A 94 11.938 -10.928 0.802 1.00 54.33 C ATOM 1540 CG ASN A 94 13.069 -11.381 1.706 1.00 62.40 C ATOM 1541 OD1 ASN A 94 13.529 -12.506 1.625 1.00 4.33 O ATOM 1542 ND2 ASN A 94 13.526 -10.511 2.570 1.00 5.33 N ATOM 0 H ASN A 94 10.667 -10.688 -1.528 1.00 14.05 H new ATOM 0 HA ASN A 94 12.966 -9.337 -0.209 1.00 1.54 H new ATOM 0 HB2 ASN A 94 11.297 -10.237 1.350 1.00 54.33 H new ATOM 0 HB3 ASN A 94 11.325 -11.790 0.537 1.00 54.33 H new ATOM 0 HD21 ASN A 94 14.287 -10.768 3.198 1.00 5.33 H new ATOM 0 HD22 ASN A 94 13.121 -9.576 2.615 1.00 5.33 H new ATOM 1549 N GLU A 95 14.674 -11.145 -0.885 1.00 63.42 N ATOM 1550 CA GLU A 95 15.684 -11.994 -1.536 1.00 50.35 C ATOM 1551 C GLU A 95 15.296 -13.487 -1.498 1.00 24.32 C ATOM 1552 O GLU A 95 15.625 -14.249 -2.409 1.00 62.51 O ATOM 1553 CB GLU A 95 17.052 -11.781 -0.871 1.00 24.24 C ATOM 1554 CG GLU A 95 17.061 -12.032 0.633 1.00 5.13 C ATOM 1555 CD GLU A 95 18.409 -11.726 1.263 1.00 62.41 C ATOM 1556 OE1 GLU A 95 19.299 -12.603 1.226 1.00 22.22 O ATOM 1557 OE2 GLU A 95 18.593 -10.603 1.774 1.00 22.01 O ATOM 0 H GLU A 95 15.040 -10.557 -0.136 1.00 63.42 H new ATOM 0 HA GLU A 95 15.739 -11.701 -2.584 1.00 50.35 H new ATOM 0 HB2 GLU A 95 17.780 -12.441 -1.343 1.00 24.24 H new ATOM 0 HB3 GLU A 95 17.380 -10.759 -1.060 1.00 24.24 H new ATOM 0 HG2 GLU A 95 16.294 -11.418 1.106 1.00 5.13 H new ATOM 0 HG3 GLU A 95 16.800 -13.073 0.827 1.00 5.13 H new ATOM 1564 N ALA A 96 14.611 -13.893 -0.433 1.00 21.22 N ATOM 1565 CA ALA A 96 14.108 -15.264 -0.289 1.00 32.45 C ATOM 1566 C ALA A 96 12.933 -15.557 -1.242 1.00 62.12 C ATOM 1567 O ALA A 96 12.806 -16.667 -1.762 1.00 23.14 O ATOM 1568 CB ALA A 96 13.683 -15.507 1.154 1.00 44.01 C ATOM 0 H ALA A 96 14.387 -13.286 0.355 1.00 21.22 H new ATOM 0 HA ALA A 96 14.918 -15.942 -0.556 1.00 32.45 H new ATOM 0 HB1 ALA A 96 13.310 -16.526 1.257 1.00 44.01 H new ATOM 0 HB2 ALA A 96 14.539 -15.365 1.814 1.00 44.01 H new ATOM 0 HB3 ALA A 96 12.896 -14.804 1.425 1.00 44.01 H new ATOM 1574 N GLY A 97 12.078 -14.557 -1.467 1.00 32.14 N ATOM 1575 CA GLY A 97 10.891 -14.749 -2.301 1.00 0.11 C ATOM 1576 C GLY A 97 10.061 -13.475 -2.464 1.00 61.30 C ATOM 1577 O GLY A 97 10.294 -12.480 -1.775 1.00 1.34 O ATOM 0 H GLY A 97 12.184 -13.616 -1.088 1.00 32.14 H new ATOM 0 HA2 GLY A 97 11.199 -15.104 -3.285 1.00 0.11 H new ATOM 0 HA3 GLY A 97 10.268 -15.528 -1.862 1.00 0.11 H new ATOM 1581 N VAL A 98 9.075 -13.508 -3.359 1.00 61.01 N ATOM 1582 CA VAL A 98 8.248 -12.326 -3.651 1.00 13.03 C ATOM 1583 C VAL A 98 6.741 -12.660 -3.652 1.00 62.13 C ATOM 1584 O VAL A 98 6.333 -13.755 -4.038 1.00 1.10 O ATOM 1585 CB VAL A 98 8.644 -11.698 -5.017 1.00 72.22 C ATOM 1586 CG1 VAL A 98 8.543 -12.727 -6.140 1.00 60.44 C ATOM 1587 CG2 VAL A 98 7.791 -10.469 -5.330 1.00 5.35 C ATOM 0 H VAL A 98 8.825 -14.338 -3.897 1.00 61.01 H new ATOM 0 HA VAL A 98 8.435 -11.606 -2.854 1.00 13.03 H new ATOM 0 HB VAL A 98 9.682 -11.374 -4.944 1.00 72.22 H new ATOM 0 HG11 VAL A 98 8.825 -12.263 -7.085 1.00 60.44 H new ATOM 0 HG12 VAL A 98 9.213 -13.561 -5.931 1.00 60.44 H new ATOM 0 HG13 VAL A 98 7.518 -13.093 -6.207 1.00 60.44 H new ATOM 0 HG21 VAL A 98 8.092 -10.053 -6.291 1.00 5.35 H new ATOM 0 HG22 VAL A 98 6.740 -10.756 -5.372 1.00 5.35 H new ATOM 0 HG23 VAL A 98 7.932 -9.720 -4.550 1.00 5.35 H new ATOM 1597 N THR A 99 5.923 -11.703 -3.208 1.00 62.21 N ATOM 1598 CA THR A 99 4.460 -11.864 -3.174 1.00 64.15 C ATOM 1599 C THR A 99 3.750 -10.554 -3.554 1.00 53.13 C ATOM 1600 O THR A 99 4.204 -9.464 -3.196 1.00 21.33 O ATOM 1601 CB THR A 99 3.966 -12.329 -1.780 1.00 44.33 C ATOM 1602 OG1 THR A 99 2.533 -12.458 -1.776 1.00 43.32 O ATOM 1603 CG2 THR A 99 4.395 -11.353 -0.687 1.00 75.14 C ATOM 0 H THR A 99 6.249 -10.800 -2.864 1.00 62.21 H new ATOM 0 HA THR A 99 4.212 -12.633 -3.905 1.00 64.15 H new ATOM 0 HB THR A 99 4.419 -13.299 -1.574 1.00 44.33 H new ATOM 0 HG1 THR A 99 2.160 -11.939 -1.033 1.00 43.32 H new ATOM 0 HG21 THR A 99 4.034 -11.706 0.279 1.00 75.14 H new ATOM 0 HG22 THR A 99 5.483 -11.286 -0.665 1.00 75.14 H new ATOM 0 HG23 THR A 99 3.975 -10.368 -0.893 1.00 75.14 H new ATOM 1611 N THR A 100 2.637 -10.660 -4.282 1.00 62.25 N ATOM 1612 CA THR A 100 1.921 -9.474 -4.788 1.00 42.31 C ATOM 1613 C THR A 100 0.413 -9.536 -4.490 1.00 23.23 C ATOM 1614 O THR A 100 -0.243 -10.552 -4.730 1.00 51.23 O ATOM 1615 CB THR A 100 2.124 -9.310 -6.319 1.00 33.02 C ATOM 1616 OG1 THR A 100 3.517 -9.125 -6.621 1.00 3.14 O ATOM 1617 CG2 THR A 100 1.328 -8.128 -6.865 1.00 44.14 C ATOM 0 H THR A 100 2.208 -11.550 -4.537 1.00 62.25 H new ATOM 0 HA THR A 100 2.344 -8.616 -4.266 1.00 42.31 H new ATOM 0 HB THR A 100 1.762 -10.221 -6.796 1.00 33.02 H new ATOM 0 HG1 THR A 100 3.682 -8.185 -6.843 1.00 3.14 H new ATOM 0 HG21 THR A 100 1.494 -8.043 -7.939 1.00 44.14 H new ATOM 0 HG22 THR A 100 0.267 -8.284 -6.673 1.00 44.14 H new ATOM 0 HG23 THR A 100 1.655 -7.211 -6.374 1.00 44.14 H new ATOM 1625 N CYS A 101 -0.143 -8.431 -3.993 1.00 60.13 N ATOM 1626 CA CYS A 101 -1.574 -8.353 -3.652 1.00 72.05 C ATOM 1627 C CYS A 101 -2.235 -7.118 -4.280 1.00 42.20 C ATOM 1628 O CYS A 101 -1.572 -6.122 -4.567 1.00 32.42 O ATOM 1629 CB CYS A 101 -1.765 -8.309 -2.131 1.00 11.12 C ATOM 1630 SG CYS A 101 -3.489 -8.117 -1.606 1.00 74.04 S ATOM 0 H CYS A 101 0.375 -7.570 -3.815 1.00 60.13 H new ATOM 0 HA CYS A 101 -2.051 -9.247 -4.054 1.00 72.05 H new ATOM 0 HB2 CYS A 101 -1.365 -9.226 -1.699 1.00 11.12 H new ATOM 0 HB3 CYS A 101 -1.179 -7.484 -1.726 1.00 11.12 H new ATOM 0 HG CYS A 101 -3.774 -9.018 -0.713 1.00 74.04 H new ATOM 1636 N ASN A 102 -3.548 -7.186 -4.486 1.00 64.34 N ATOM 1637 CA ASN A 102 -4.306 -6.068 -5.069 1.00 1.43 C ATOM 1638 C ASN A 102 -5.282 -5.460 -4.044 1.00 2.34 C ATOM 1639 O ASN A 102 -5.775 -6.152 -3.150 1.00 0.04 O ATOM 1640 CB ASN A 102 -5.072 -6.545 -6.308 1.00 14.51 C ATOM 1641 CG ASN A 102 -4.146 -7.105 -7.373 1.00 63.11 C ATOM 1642 OD1 ASN A 102 -3.806 -8.285 -7.364 1.00 65.13 O ATOM 1643 ND2 ASN A 102 -3.721 -6.269 -8.298 1.00 11.23 N ATOM 0 H ASN A 102 -4.115 -8.003 -4.259 1.00 64.34 H new ATOM 0 HA ASN A 102 -3.597 -5.292 -5.359 1.00 1.43 H new ATOM 0 HB2 ASN A 102 -5.792 -7.310 -6.016 1.00 14.51 H new ATOM 0 HB3 ASN A 102 -5.641 -5.714 -6.724 1.00 14.51 H new ATOM 0 HD21 ASN A 102 -3.093 -6.597 -9.032 1.00 11.23 H new ATOM 0 HD22 ASN A 102 -4.020 -5.294 -8.280 1.00 11.23 H new ATOM 1650 N THR A 103 -5.526 -4.157 -4.161 1.00 53.11 N ATOM 1651 CA THR A 103 -6.446 -3.441 -3.262 1.00 64.44 C ATOM 1652 C THR A 103 -7.219 -2.355 -4.018 1.00 0.10 C ATOM 1653 O THR A 103 -6.707 -1.774 -4.966 1.00 1.44 O ATOM 1654 CB THR A 103 -5.680 -2.794 -2.084 1.00 62.21 C ATOM 1655 OG1 THR A 103 -4.914 -3.797 -1.407 1.00 24.23 O ATOM 1656 CG2 THR A 103 -6.627 -2.132 -1.085 1.00 63.23 C ATOM 0 H THR A 103 -5.098 -3.566 -4.874 1.00 53.11 H new ATOM 0 HA THR A 103 -7.151 -4.174 -2.870 1.00 64.44 H new ATOM 0 HB THR A 103 -5.027 -2.024 -2.495 1.00 62.21 H new ATOM 0 HG1 THR A 103 -3.963 -3.561 -1.441 1.00 24.23 H new ATOM 0 HG21 THR A 103 -6.049 -1.690 -0.274 1.00 63.23 H new ATOM 0 HG22 THR A 103 -7.200 -1.353 -1.588 1.00 63.23 H new ATOM 0 HG23 THR A 103 -7.309 -2.880 -0.679 1.00 63.23 H new ATOM 1664 N ARG A 104 -8.454 -2.085 -3.610 1.00 41.11 N ATOM 1665 CA ARG A 104 -9.275 -1.070 -4.284 1.00 72.12 C ATOM 1666 C ARG A 104 -9.491 0.185 -3.414 1.00 42.02 C ATOM 1667 O ARG A 104 -9.651 0.097 -2.198 1.00 55.41 O ATOM 1668 CB ARG A 104 -10.629 -1.674 -4.682 1.00 24.42 C ATOM 1669 CG ARG A 104 -11.566 -0.679 -5.359 1.00 33.24 C ATOM 1670 CD ARG A 104 -12.863 -1.332 -5.821 1.00 22.42 C ATOM 1671 NE ARG A 104 -13.816 -0.342 -6.315 1.00 32.22 N ATOM 1672 CZ ARG A 104 -14.587 -0.514 -7.351 1.00 74.45 C ATOM 1673 NH1 ARG A 104 -14.560 -1.621 -8.021 1.00 63.24 N ATOM 1674 NH2 ARG A 104 -15.390 0.430 -7.711 1.00 65.02 N ATOM 0 H ARG A 104 -8.911 -2.547 -2.824 1.00 41.11 H new ATOM 0 HA ARG A 104 -8.734 -0.754 -5.176 1.00 72.12 H new ATOM 0 HB2 ARG A 104 -10.459 -2.515 -5.354 1.00 24.42 H new ATOM 0 HB3 ARG A 104 -11.116 -2.071 -3.791 1.00 24.42 H new ATOM 0 HG2 ARG A 104 -11.796 0.131 -4.666 1.00 33.24 H new ATOM 0 HG3 ARG A 104 -11.061 -0.232 -6.215 1.00 33.24 H new ATOM 0 HD2 ARG A 104 -12.647 -2.055 -6.608 1.00 22.42 H new ATOM 0 HD3 ARG A 104 -13.308 -1.885 -4.994 1.00 22.42 H new ATOM 0 HE ARG A 104 -13.883 0.545 -5.815 1.00 32.22 H new ATOM 0 HH11 ARG A 104 -13.930 -2.372 -7.740 1.00 63.24 H new ATOM 0 HH12 ARG A 104 -15.169 -1.742 -8.830 1.00 63.24 H new ATOM 0 HH21 ARG A 104 -15.418 1.304 -7.185 1.00 65.02 H new ATOM 0 HH22 ARG A 104 -15.997 0.302 -8.521 1.00 65.02 H new ATOM 1688 N LEU A 105 -9.491 1.353 -4.057 1.00 15.11 N ATOM 1689 CA LEU A 105 -9.790 2.622 -3.378 1.00 72.35 C ATOM 1690 C LEU A 105 -10.911 3.376 -4.112 1.00 53.50 C ATOM 1691 O LEU A 105 -10.793 3.672 -5.304 1.00 14.40 O ATOM 1692 CB LEU A 105 -8.531 3.500 -3.307 1.00 64.34 C ATOM 1693 CG LEU A 105 -8.710 4.854 -2.594 1.00 44.41 C ATOM 1694 CD1 LEU A 105 -9.096 4.651 -1.128 1.00 75.52 C ATOM 1695 CD2 LEU A 105 -7.443 5.699 -2.713 1.00 2.43 C ATOM 0 H LEU A 105 -9.287 1.450 -5.052 1.00 15.11 H new ATOM 0 HA LEU A 105 -10.123 2.397 -2.365 1.00 72.35 H new ATOM 0 HB2 LEU A 105 -7.747 2.941 -2.797 1.00 64.34 H new ATOM 0 HB3 LEU A 105 -8.181 3.686 -4.322 1.00 64.34 H new ATOM 0 HG LEU A 105 -9.522 5.391 -3.084 1.00 44.41 H new ATOM 0 HD11 LEU A 105 -9.217 5.621 -0.646 1.00 75.52 H new ATOM 0 HD12 LEU A 105 -10.034 4.099 -1.072 1.00 75.52 H new ATOM 0 HD13 LEU A 105 -8.313 4.088 -0.620 1.00 75.52 H new ATOM 0 HD21 LEU A 105 -7.591 6.651 -2.203 1.00 2.43 H new ATOM 0 HD22 LEU A 105 -6.608 5.168 -2.256 1.00 2.43 H new ATOM 0 HD23 LEU A 105 -7.225 5.882 -3.765 1.00 2.43 H new ATOM 1707 N ASP A 106 -11.991 3.689 -3.396 1.00 70.31 N ATOM 1708 CA ASP A 106 -13.138 4.397 -3.982 1.00 31.23 C ATOM 1709 C ASP A 106 -13.236 5.844 -3.462 1.00 15.04 C ATOM 1710 O ASP A 106 -13.199 6.093 -2.257 1.00 0.33 O ATOM 1711 CB ASP A 106 -14.441 3.645 -3.670 1.00 42.02 C ATOM 1712 CG ASP A 106 -14.534 2.306 -4.386 1.00 33.25 C ATOM 1713 OD1 ASP A 106 -14.065 1.292 -3.833 1.00 52.10 O ATOM 1714 OD2 ASP A 106 -15.087 2.257 -5.510 1.00 12.25 O ATOM 0 H ASP A 106 -12.099 3.464 -2.407 1.00 70.31 H new ATOM 0 HA ASP A 106 -12.987 4.434 -5.061 1.00 31.23 H new ATOM 0 HB2 ASP A 106 -14.513 3.483 -2.595 1.00 42.02 H new ATOM 0 HB3 ASP A 106 -15.291 4.265 -3.956 1.00 42.02 H new ATOM 1719 N VAL A 107 -13.362 6.800 -4.378 1.00 64.31 N ATOM 1720 CA VAL A 107 -13.529 8.209 -4.008 1.00 41.24 C ATOM 1721 C VAL A 107 -14.913 8.729 -4.433 1.00 24.42 C ATOM 1722 O VAL A 107 -15.443 8.339 -5.475 1.00 33.22 O ATOM 1723 CB VAL A 107 -12.426 9.099 -4.634 1.00 31.24 C ATOM 1724 CG1 VAL A 107 -12.589 10.557 -4.202 1.00 51.55 C ATOM 1725 CG2 VAL A 107 -11.037 8.580 -4.263 1.00 42.22 C ATOM 0 H VAL A 107 -13.352 6.628 -5.383 1.00 64.31 H new ATOM 0 HA VAL A 107 -13.443 8.265 -2.923 1.00 41.24 H new ATOM 0 HB VAL A 107 -12.531 9.053 -5.718 1.00 31.24 H new ATOM 0 HG11 VAL A 107 -11.803 11.161 -4.655 1.00 51.55 H new ATOM 0 HG12 VAL A 107 -13.562 10.926 -4.526 1.00 51.55 H new ATOM 0 HG13 VAL A 107 -12.519 10.625 -3.116 1.00 51.55 H new ATOM 0 HG21 VAL A 107 -10.278 9.219 -4.713 1.00 42.22 H new ATOM 0 HG22 VAL A 107 -10.923 8.589 -3.179 1.00 42.22 H new ATOM 0 HG23 VAL A 107 -10.919 7.561 -4.632 1.00 42.22 H new ATOM 1735 N THR A 108 -15.489 9.607 -3.620 1.00 54.15 N ATOM 1736 CA THR A 108 -16.825 10.162 -3.874 1.00 4.12 C ATOM 1737 C THR A 108 -16.788 11.697 -3.895 1.00 35.45 C ATOM 1738 O THR A 108 -15.999 12.318 -3.181 1.00 43.43 O ATOM 1739 CB THR A 108 -17.835 9.691 -2.799 1.00 30.20 C ATOM 1740 OG1 THR A 108 -17.895 8.254 -2.770 1.00 75.33 O ATOM 1741 CG2 THR A 108 -19.238 10.247 -3.050 1.00 63.35 C ATOM 0 H THR A 108 -15.050 9.957 -2.768 1.00 54.15 H new ATOM 0 HA THR A 108 -17.147 9.799 -4.850 1.00 4.12 H new ATOM 0 HB THR A 108 -17.484 10.070 -1.839 1.00 30.20 H new ATOM 0 HG1 THR A 108 -18.535 7.967 -2.086 1.00 75.33 H new ATOM 0 HG21 THR A 108 -19.915 9.892 -2.273 1.00 63.35 H new ATOM 0 HG22 THR A 108 -19.206 11.336 -3.033 1.00 63.35 H new ATOM 0 HG23 THR A 108 -19.594 9.909 -4.023 1.00 63.35 H new ATOM 1749 N ALA A 109 -17.651 12.303 -4.706 1.00 62.52 N ATOM 1750 CA ALA A 109 -17.671 13.760 -4.867 1.00 24.35 C ATOM 1751 C ALA A 109 -18.315 14.456 -3.661 1.00 5.51 C ATOM 1752 O ALA A 109 -19.424 14.107 -3.250 1.00 52.34 O ATOM 1753 CB ALA A 109 -18.410 14.133 -6.146 1.00 64.34 C ATOM 0 H ALA A 109 -18.348 11.810 -5.264 1.00 62.52 H new ATOM 0 HA ALA A 109 -16.638 14.102 -4.932 1.00 24.35 H new ATOM 0 HB1 ALA A 109 -18.420 15.217 -6.257 1.00 64.34 H new ATOM 0 HB2 ALA A 109 -17.905 13.685 -7.002 1.00 64.34 H new ATOM 0 HB3 ALA A 109 -19.434 13.764 -6.095 1.00 64.34 H new