USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 Single : A 10 THR OG1 : rot 52:sc= 0.35 USER MOD Single : A 14 GLN :FLIP amide:sc= -5.27! C(o=-10!,f=-5.3!) USER MOD Single : A 19 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.13) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.15 K(o=1.2,f=-0.26) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.023) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -77:sc= -1.42! USER MOD Single : A 72 GLN :FLIP amide:sc= -1.65 F(o=-5.5!,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 153:sc= -4.6! (180deg=-6.29!) USER MOD Single : A 79 GLN : amide:sc= -0.163 K(o=-0.16,f=-6.4!) USER MOD Single : A 81 ASN : amide:sc= -2.38! C(o=-2.4!,f=-11!) USER MOD Single : A 85 MET CE :methyl 170:sc= -6.97! (180deg=-7.19!) USER MOD Single : A 86 THR OG1 : rot -95:sc= 0.766 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -112:sc= -3.11! USER MOD Single : A 90 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-3.6!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.851 F(o=-6!,f=-0.85) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 99 LYS NZ :NH3+ -113:sc= 0.0272 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 71:sc= 0.989 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.1! C(o=-2.7!,f=-2.1!) USER MOD Single : A 113 SER OG : rot -54:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.267 5.982 3.885 1.00 1.00 N ATOM 140 CA THR A 10 -15.087 4.995 4.909 1.00 1.07 C ATOM 141 C THR A 10 -14.619 3.676 4.331 1.00 0.92 C ATOM 142 O THR A 10 -15.404 2.767 4.039 1.00 0.99 O ATOM 143 CB THR A 10 -16.368 4.815 5.724 1.00 1.30 C ATOM 144 OG1 THR A 10 -17.469 4.491 4.864 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.669 6.082 6.501 1.00 1.90 C ATOM 0 HA THR A 10 -14.307 5.353 5.580 1.00 1.07 H new ATOM 0 HB THR A 10 -16.223 3.993 6.425 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.223 3.737 4.288 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.583 5.946 7.079 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.842 6.300 7.176 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.799 6.912 5.807 1.00 1.90 H new ATOM 153 N ALA A 11 -13.325 3.628 4.124 1.00 0.83 N ATOM 154 CA ALA A 11 -12.636 2.435 3.701 1.00 0.74 C ATOM 155 C ALA A 11 -12.143 1.674 4.922 1.00 0.77 C ATOM 156 O ALA A 11 -12.341 2.112 6.058 1.00 0.96 O ATOM 157 CB ALA A 11 -11.480 2.811 2.794 1.00 0.70 C ATOM 0 H ALA A 11 -12.711 4.433 4.248 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.316 1.791 3.144 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.960 1.908 2.475 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.860 3.339 1.920 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.788 3.456 3.335 1.00 0.70 H new ATOM 163 N VAL A 12 -11.503 0.550 4.693 1.00 0.65 N ATOM 164 CA VAL A 12 -11.038 -0.290 5.784 1.00 0.72 C ATOM 165 C VAL A 12 -9.516 -0.351 5.806 1.00 0.54 C ATOM 166 O VAL A 12 -8.878 -0.723 4.821 1.00 0.54 O ATOM 167 CB VAL A 12 -11.636 -1.718 5.718 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.129 -1.675 6.007 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.380 -2.375 4.364 1.00 1.38 C ATOM 0 H VAL A 12 -11.290 0.192 3.762 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.387 0.166 6.710 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.139 -2.321 6.478 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.538 -2.684 5.958 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.295 -1.264 7.003 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.625 -1.046 5.268 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -11.814 -3.375 4.357 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -11.836 -1.775 3.577 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.306 -2.445 4.191 1.00 1.38 H new ATOM 179 N VAL A 13 -8.936 0.044 6.927 1.00 0.52 N ATOM 180 CA VAL A 13 -7.490 0.056 7.071 1.00 0.44 C ATOM 181 C VAL A 13 -6.976 -1.344 7.365 1.00 0.41 C ATOM 182 O VAL A 13 -7.152 -1.870 8.466 1.00 0.50 O ATOM 183 CB VAL A 13 -7.039 0.998 8.199 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.534 1.190 8.170 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.746 2.337 8.106 1.00 1.02 C ATOM 0 H VAL A 13 -9.445 0.361 7.752 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.076 0.416 6.129 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.310 0.536 9.148 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.237 1.860 8.977 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.042 0.226 8.299 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.241 1.622 7.213 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.408 2.984 8.916 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.516 2.804 7.148 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.823 2.186 8.187 1.00 1.02 H new ATOM 195 N GLN A 14 -6.372 -1.951 6.368 1.00 0.37 N ATOM 196 CA GLN A 14 -5.814 -3.291 6.521 1.00 0.40 C ATOM 197 C GLN A 14 -4.289 -3.256 6.698 1.00 0.32 C ATOM 198 O GLN A 14 -3.646 -2.224 6.483 1.00 0.41 O ATOM 199 CB GLN A 14 -6.218 -4.165 5.330 1.00 0.51 C ATOM 200 CG GLN A 14 -5.599 -3.786 4.008 1.00 0.53 C ATOM 201 CD GLN A 14 -4.344 -4.581 3.711 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.195 -4.035 4.062 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.412 -5.672 3.159 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.251 -1.545 5.440 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.225 -3.730 7.430 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -5.952 -5.198 5.553 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.303 -4.130 5.227 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.325 -3.946 3.211 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.360 -2.723 4.013 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.321 -6.059 2.904 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.560 -6.194 2.954 1.00 0.55 H new ATOM 212 N ARG A 15 -3.711 -4.397 7.066 1.00 0.32 N ATOM 213 CA ARG A 15 -2.285 -4.495 7.330 1.00 0.39 C ATOM 214 C ARG A 15 -1.643 -5.574 6.463 1.00 0.33 C ATOM 215 O ARG A 15 -1.968 -6.753 6.589 1.00 0.55 O ATOM 216 CB ARG A 15 -2.049 -4.812 8.811 1.00 0.70 C ATOM 217 CG ARG A 15 -1.642 -3.611 9.647 1.00 0.75 C ATOM 218 CD ARG A 15 -0.224 -3.181 9.318 1.00 1.44 C ATOM 219 NE ARG A 15 0.220 -2.042 10.126 1.00 2.26 N ATOM 220 CZ ARG A 15 1.381 -2.006 10.785 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.181 -3.067 10.795 1.00 2.98 N ATOM 222 NH2 ARG A 15 1.735 -0.914 11.459 1.00 3.63 N ATOM 0 H ARG A 15 -4.218 -5.273 7.188 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.825 -3.537 7.085 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -2.960 -5.240 9.229 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.274 -5.574 8.889 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.329 -2.785 9.464 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.716 -3.858 10.706 1.00 0.75 H new ATOM 0 HD2 ARG A 15 0.453 -4.021 9.477 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -0.163 -2.918 8.262 1.00 1.44 H new ATOM 0 HE ARG A 15 -0.393 -1.229 10.189 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.910 -3.915 10.297 1.00 2.98 H new ATOM 0 HH12 ARG A 15 3.066 -3.033 11.300 1.00 2.98 H new ATOM 0 HH21 ARG A 15 1.119 -0.101 11.473 1.00 3.63 H new ATOM 0 HH22 ARG A 15 2.622 -0.890 11.961 1.00 3.63 H new ATOM 236 N VAL A 16 -0.740 -5.165 5.583 1.00 0.25 N ATOM 237 CA VAL A 16 0.002 -6.100 4.760 1.00 0.30 C ATOM 238 C VAL A 16 1.360 -6.369 5.391 1.00 0.26 C ATOM 239 O VAL A 16 2.102 -5.445 5.708 1.00 0.40 O ATOM 240 CB VAL A 16 0.186 -5.575 3.308 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.267 -6.339 2.559 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.116 -5.673 2.539 1.00 0.64 C ATOM 0 H VAL A 16 -0.505 -4.185 5.423 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.571 -7.025 4.704 1.00 0.30 H new ATOM 0 HB VAL A 16 0.494 -4.532 3.384 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.362 -5.939 1.549 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.217 -6.232 3.082 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.998 -7.394 2.508 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -0.969 -5.301 1.525 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.439 -6.713 2.501 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -1.879 -5.075 3.037 1.00 0.64 H new ATOM 252 N GLU A 17 1.654 -7.630 5.606 1.00 0.22 N ATOM 253 CA GLU A 17 2.940 -8.045 6.133 1.00 0.25 C ATOM 254 C GLU A 17 3.392 -9.289 5.399 1.00 0.24 C ATOM 255 O GLU A 17 2.729 -10.328 5.462 1.00 0.28 O ATOM 256 CB GLU A 17 2.858 -8.304 7.639 1.00 0.33 C ATOM 257 CG GLU A 17 4.096 -8.971 8.217 1.00 0.44 C ATOM 258 CD GLU A 17 4.045 -9.070 9.728 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.094 -9.678 10.263 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.963 -8.541 10.391 1.00 1.31 O ATOM 0 H GLU A 17 1.011 -8.400 5.422 1.00 0.22 H new ATOM 0 HA GLU A 17 3.666 -7.247 5.979 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.694 -7.357 8.152 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.990 -8.931 7.843 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.199 -9.970 7.793 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.981 -8.407 7.922 1.00 0.44 H new ATOM 267 N ILE A 18 4.496 -9.184 4.677 1.00 0.24 N ATOM 268 CA ILE A 18 4.976 -10.290 3.901 1.00 0.24 C ATOM 269 C ILE A 18 6.493 -10.259 3.936 1.00 0.27 C ATOM 270 O ILE A 18 7.094 -9.190 3.919 1.00 0.33 O ATOM 271 CB ILE A 18 4.424 -10.210 2.448 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.118 -11.604 1.884 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.372 -9.458 1.519 1.00 0.27 C ATOM 274 CD1 ILE A 18 5.318 -12.508 1.762 1.00 0.61 C ATOM 0 H ILE A 18 5.068 -8.341 4.619 1.00 0.24 H new ATOM 0 HA ILE A 18 4.628 -11.236 4.315 1.00 0.24 H new ATOM 0 HB ILE A 18 3.491 -9.649 2.500 1.00 0.24 H new ATOM 0 HG12 ILE A 18 3.379 -12.087 2.524 1.00 0.34 H new ATOM 0 HG13 ILE A 18 3.662 -11.492 0.900 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.948 -9.426 0.515 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.512 -8.442 1.887 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.334 -9.969 1.490 1.00 0.27 H new ATOM 0 HD11 ILE A 18 5.008 -13.471 1.355 1.00 0.61 H new ATOM 0 HD12 ILE A 18 6.051 -12.052 1.097 1.00 0.61 H new ATOM 0 HD13 ILE A 18 5.764 -12.656 2.746 1.00 0.61 H new ATOM 286 N HIS A 19 7.111 -11.410 4.052 1.00 0.30 N ATOM 287 CA HIS A 19 8.553 -11.466 4.079 1.00 0.33 C ATOM 288 C HIS A 19 9.088 -11.172 2.691 1.00 0.35 C ATOM 289 O HIS A 19 8.789 -11.901 1.745 1.00 0.40 O ATOM 290 CB HIS A 19 9.039 -12.822 4.593 1.00 0.39 C ATOM 291 CG HIS A 19 8.766 -13.038 6.051 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.747 -13.345 6.969 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.603 -13.008 6.749 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.197 -13.499 8.160 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.897 -13.302 8.057 1.00 0.56 N ATOM 0 H HIS A 19 6.643 -12.313 4.129 1.00 0.30 H new ATOM 0 HA HIS A 19 8.932 -10.712 4.769 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.557 -13.614 4.019 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.111 -12.907 4.415 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.624 -12.792 6.348 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.725 -13.746 9.069 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.223 -13.359 8.821 1.00 0.56 H new ATOM 304 N LYS A 20 9.802 -10.050 2.595 1.00 0.34 N ATOM 305 CA LYS A 20 10.443 -9.588 1.355 1.00 0.36 C ATOM 306 C LYS A 20 10.895 -10.755 0.465 1.00 0.36 C ATOM 307 O LYS A 20 11.410 -11.765 0.952 1.00 0.42 O ATOM 308 CB LYS A 20 11.631 -8.678 1.706 1.00 0.40 C ATOM 309 CG LYS A 20 12.696 -9.323 2.589 1.00 1.42 C ATOM 310 CD LYS A 20 13.755 -10.072 1.790 1.00 2.33 C ATOM 311 CE LYS A 20 14.765 -10.742 2.709 1.00 3.13 C ATOM 312 NZ LYS A 20 15.750 -11.555 1.951 1.00 4.00 N ATOM 0 H LYS A 20 9.956 -9.425 3.386 1.00 0.34 H new ATOM 0 HA LYS A 20 9.707 -9.026 0.781 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.100 -8.345 0.780 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.252 -7.789 2.210 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.179 -8.552 3.189 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.216 -10.013 3.283 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.277 -10.823 1.162 1.00 2.33 H new ATOM 0 HD3 LYS A 20 14.269 -9.379 1.124 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.290 -9.982 3.287 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.241 -11.379 3.422 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 16.420 -11.995 2.613 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 15.252 -12.297 1.419 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 16.269 -10.943 1.289 1.00 4.00 H new ATOM 326 N LEU A 21 10.730 -10.604 -0.839 1.00 0.33 N ATOM 327 CA LEU A 21 10.945 -11.726 -1.751 1.00 0.37 C ATOM 328 C LEU A 21 12.330 -11.657 -2.373 1.00 0.41 C ATOM 329 O LEU A 21 12.569 -10.877 -3.279 1.00 0.45 O ATOM 330 CB LEU A 21 9.876 -11.738 -2.847 1.00 0.38 C ATOM 331 CG LEU A 21 9.955 -12.911 -3.831 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.770 -14.233 -3.104 1.00 0.55 C ATOM 333 CD2 LEU A 21 8.916 -12.756 -4.929 1.00 0.48 C ATOM 0 H LEU A 21 10.452 -9.732 -1.289 1.00 0.33 H new ATOM 0 HA LEU A 21 10.869 -12.649 -1.176 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.894 -11.749 -2.373 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.947 -10.808 -3.411 1.00 0.38 H new ATOM 0 HG LEU A 21 10.944 -12.908 -4.290 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.829 -15.053 -3.820 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.553 -14.348 -2.354 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.795 -14.247 -2.616 1.00 0.55 H new ATOM 0 HD21 LEU A 21 8.987 -13.597 -5.618 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.920 -12.732 -4.487 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.095 -11.827 -5.471 1.00 0.48 H new ATOM 345 N ARG A 22 13.236 -12.472 -1.874 1.00 0.51 N ATOM 346 CA ARG A 22 14.614 -12.461 -2.346 1.00 0.61 C ATOM 347 C ARG A 22 14.709 -12.731 -3.849 1.00 0.60 C ATOM 348 O ARG A 22 13.988 -13.564 -4.397 1.00 0.66 O ATOM 349 CB ARG A 22 15.432 -13.504 -1.594 1.00 0.88 C ATOM 350 CG ARG A 22 14.985 -14.930 -1.866 1.00 1.19 C ATOM 351 CD ARG A 22 15.951 -15.930 -1.278 1.00 1.94 C ATOM 352 NE ARG A 22 15.894 -15.951 0.182 1.00 2.47 N ATOM 353 CZ ARG A 22 16.947 -16.156 0.970 1.00 3.28 C ATOM 354 NH1 ARG A 22 18.150 -16.361 0.441 1.00 3.78 N ATOM 355 NH2 ARG A 22 16.789 -16.174 2.291 1.00 3.97 N ATOM 0 H ARG A 22 13.047 -13.154 -1.139 1.00 0.51 H new ATOM 0 HA ARG A 22 15.012 -11.464 -2.157 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.481 -13.401 -1.870 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.363 -13.307 -0.524 1.00 0.88 H new ATOM 0 HG2 ARG A 22 13.993 -15.089 -1.444 1.00 1.19 H new ATOM 0 HG3 ARG A 22 14.904 -15.089 -2.941 1.00 1.19 H new ATOM 0 HD2 ARG A 22 15.724 -16.924 -1.664 1.00 1.94 H new ATOM 0 HD3 ARG A 22 16.964 -15.687 -1.598 1.00 1.94 H new ATOM 0 HE ARG A 22 14.988 -15.799 0.626 1.00 2.47 H new ATOM 0 HH11 ARG A 22 18.268 -16.361 -0.572 1.00 3.78 H new ATOM 0 HH12 ARG A 22 18.954 -16.518 1.048 1.00 3.78 H new ATOM 0 HH21 ARG A 22 15.864 -16.031 2.696 1.00 3.97 H new ATOM 0 HH22 ARG A 22 17.593 -16.331 2.899 1.00 3.97 H new ATOM 369 N GLN A 23 15.589 -11.999 -4.504 1.00 0.68 N ATOM 370 CA GLN A 23 15.903 -12.240 -5.894 1.00 0.81 C ATOM 371 C GLN A 23 17.387 -11.997 -6.119 1.00 0.93 C ATOM 372 O GLN A 23 17.783 -10.876 -6.421 1.00 1.02 O ATOM 373 CB GLN A 23 15.111 -11.281 -6.780 1.00 0.90 C ATOM 374 CG GLN A 23 14.832 -11.826 -8.163 1.00 1.04 C ATOM 375 CD GLN A 23 13.491 -12.534 -8.272 1.00 0.92 C ATOM 376 OE1 GLN A 23 12.880 -12.556 -9.340 1.00 1.35 O ATOM 377 NE2 GLN A 23 13.016 -13.106 -7.176 1.00 0.69 N ATOM 0 H GLN A 23 16.104 -11.223 -4.087 1.00 0.68 H new ATOM 0 HA GLN A 23 15.644 -13.269 -6.146 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.164 -11.047 -6.293 1.00 0.90 H new ATOM 0 HB3 GLN A 23 15.662 -10.345 -6.872 1.00 0.90 H new ATOM 0 HG2 GLN A 23 14.862 -11.007 -8.881 1.00 1.04 H new ATOM 0 HG3 GLN A 23 15.625 -12.521 -8.439 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.550 -13.068 -6.308 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.116 -13.585 -7.200 1.00 0.69 H new ATOM 386 N GLY A 24 18.191 -13.047 -6.010 1.00 1.03 N ATOM 387 CA GLY A 24 19.636 -12.904 -6.061 1.00 1.19 C ATOM 388 C GLY A 24 20.171 -11.993 -4.966 1.00 1.23 C ATOM 389 O GLY A 24 20.664 -12.456 -3.937 1.00 1.33 O ATOM 0 H GLY A 24 17.865 -14.005 -5.886 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.098 -13.887 -5.970 1.00 1.19 H new ATOM 0 HA3 GLY A 24 19.924 -12.505 -7.034 1.00 1.19 H new ATOM 393 N GLU A 25 20.058 -10.696 -5.200 1.00 1.27 N ATOM 394 CA GLU A 25 20.521 -9.683 -4.268 1.00 1.43 C ATOM 395 C GLU A 25 19.430 -8.649 -4.018 1.00 1.40 C ATOM 396 O GLU A 25 19.633 -7.655 -3.320 1.00 1.61 O ATOM 397 CB GLU A 25 21.764 -9.027 -4.837 1.00 1.67 C ATOM 398 CG GLU A 25 21.611 -8.689 -6.300 1.00 1.84 C ATOM 399 CD GLU A 25 22.865 -8.077 -6.883 1.00 2.03 C ATOM 400 OE1 GLU A 25 23.933 -8.718 -6.807 1.00 2.33 O ATOM 401 OE2 GLU A 25 22.791 -6.949 -7.412 1.00 2.21 O ATOM 0 H GLU A 25 19.639 -10.314 -6.048 1.00 1.27 H new ATOM 0 HA GLU A 25 20.762 -10.147 -3.312 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.982 -8.118 -4.277 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.617 -9.694 -4.707 1.00 1.67 H new ATOM 0 HG2 GLU A 25 21.359 -9.593 -6.855 1.00 1.84 H new ATOM 0 HG3 GLU A 25 20.779 -7.996 -6.425 1.00 1.84 H new ATOM 408 N ASN A 26 18.264 -8.903 -4.585 1.00 1.21 N ATOM 409 CA ASN A 26 17.146 -7.980 -4.491 1.00 1.23 C ATOM 410 C ASN A 26 16.097 -8.525 -3.540 1.00 1.05 C ATOM 411 O ASN A 26 16.133 -9.701 -3.180 1.00 1.06 O ATOM 412 CB ASN A 26 16.502 -7.773 -5.864 1.00 1.31 C ATOM 413 CG ASN A 26 17.516 -7.452 -6.939 1.00 1.39 C ATOM 414 OD1 ASN A 26 17.824 -6.291 -7.202 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.033 -8.490 -7.577 1.00 1.33 N ATOM 0 H ASN A 26 18.066 -9.748 -5.120 1.00 1.21 H new ATOM 0 HA ASN A 26 17.526 -7.028 -4.120 1.00 1.23 H new ATOM 0 HB2 ASN A 26 15.954 -8.673 -6.144 1.00 1.31 H new ATOM 0 HB3 ASN A 26 15.775 -6.963 -5.802 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.716 -8.343 -8.320 1.00 1.33 H new ATOM 0 HD22 ASN A 26 17.748 -9.437 -7.326 1.00 1.33 H new ATOM 422 N LEU A 27 15.176 -7.669 -3.128 1.00 0.95 N ATOM 423 CA LEU A 27 14.020 -8.099 -2.368 1.00 0.82 C ATOM 424 C LEU A 27 12.780 -7.536 -3.050 1.00 0.71 C ATOM 425 O LEU A 27 12.677 -6.335 -3.296 1.00 0.81 O ATOM 426 CB LEU A 27 14.102 -7.676 -0.889 1.00 0.93 C ATOM 427 CG LEU A 27 13.728 -6.229 -0.573 1.00 1.28 C ATOM 428 CD1 LEU A 27 13.687 -6.008 0.932 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.710 -5.257 -1.211 1.00 1.62 C ATOM 0 H LEU A 27 15.210 -6.666 -3.310 1.00 0.95 H new ATOM 0 HA LEU A 27 13.977 -9.188 -2.354 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.451 -8.331 -0.310 1.00 0.93 H new ATOM 0 HB3 LEU A 27 15.120 -7.849 -0.540 1.00 0.93 H new ATOM 0 HG LEU A 27 12.738 -6.042 -0.989 1.00 1.28 H new ATOM 0 HD11 LEU A 27 13.419 -4.972 1.140 1.00 2.28 H new ATOM 0 HD12 LEU A 27 12.945 -6.671 1.377 1.00 2.28 H new ATOM 0 HD13 LEU A 27 14.667 -6.222 1.358 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.419 -4.235 -0.969 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.712 -5.449 -0.828 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.703 -5.390 -2.293 1.00 1.62 H new ATOM 441 N ILE A 28 11.866 -8.407 -3.388 1.00 0.57 N ATOM 442 CA ILE A 28 10.739 -8.039 -4.207 1.00 0.52 C ATOM 443 C ILE A 28 9.513 -7.775 -3.348 1.00 0.44 C ATOM 444 O ILE A 28 9.020 -8.664 -2.654 1.00 0.43 O ATOM 445 CB ILE A 28 10.424 -9.155 -5.234 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.680 -9.529 -6.033 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.299 -8.745 -6.169 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.359 -8.355 -6.704 1.00 0.80 C ATOM 0 H ILE A 28 11.880 -9.387 -3.106 1.00 0.57 H new ATOM 0 HA ILE A 28 10.998 -7.126 -4.743 1.00 0.52 H new ATOM 0 HB ILE A 28 10.094 -10.032 -4.678 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.392 -10.013 -5.364 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.409 -10.261 -6.794 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.103 -9.550 -6.877 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.398 -8.545 -5.589 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.588 -7.846 -6.713 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.237 -8.704 -7.247 1.00 0.80 H new ATOM 0 HD12 ILE A 28 11.666 -7.883 -7.400 1.00 0.80 H new ATOM 0 HD13 ILE A 28 12.664 -7.631 -5.949 1.00 0.80 H new ATOM 460 N LEU A 29 9.053 -6.535 -3.373 1.00 0.51 N ATOM 461 CA LEU A 29 7.835 -6.159 -2.677 1.00 0.55 C ATOM 462 C LEU A 29 6.616 -6.736 -3.391 1.00 0.73 C ATOM 463 O LEU A 29 5.577 -6.975 -2.780 1.00 1.74 O ATOM 464 CB LEU A 29 7.722 -4.627 -2.529 1.00 0.71 C ATOM 465 CG LEU A 29 7.760 -3.790 -3.824 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.149 -2.420 -3.581 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.187 -3.616 -4.335 1.00 1.33 C ATOM 0 H LEU A 29 9.507 -5.769 -3.870 1.00 0.51 H new ATOM 0 HA LEU A 29 7.874 -6.579 -1.672 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.789 -4.405 -2.011 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.533 -4.289 -1.884 1.00 0.71 H new ATOM 0 HG LEU A 29 7.183 -4.326 -4.578 1.00 0.74 H new ATOM 0 HD11 LEU A 29 7.182 -1.838 -4.502 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.113 -2.535 -3.261 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.713 -1.902 -2.805 1.00 1.28 H new ATOM 0 HD21 LEU A 29 9.176 -3.021 -5.249 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.785 -3.108 -3.578 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.621 -4.594 -4.544 1.00 1.33 H new ATOM 479 N GLY A 30 6.751 -6.961 -4.691 1.00 0.40 N ATOM 480 CA GLY A 30 5.715 -7.649 -5.435 1.00 0.32 C ATOM 481 C GLY A 30 4.746 -6.708 -6.117 1.00 0.35 C ATOM 482 O GLY A 30 4.222 -7.012 -7.179 1.00 0.69 O ATOM 0 H GLY A 30 7.560 -6.679 -5.244 1.00 0.40 H new ATOM 0 HA2 GLY A 30 6.180 -8.289 -6.186 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.163 -8.301 -4.758 1.00 0.32 H new ATOM 486 N PHE A 31 4.515 -5.559 -5.525 1.00 0.29 N ATOM 487 CA PHE A 31 3.544 -4.630 -6.052 1.00 0.28 C ATOM 488 C PHE A 31 4.223 -3.381 -6.576 1.00 0.31 C ATOM 489 O PHE A 31 5.381 -3.112 -6.263 1.00 0.42 O ATOM 490 CB PHE A 31 2.531 -4.262 -4.961 1.00 0.28 C ATOM 491 CG PHE A 31 3.128 -3.596 -3.750 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.690 -4.354 -2.736 1.00 0.33 C ATOM 493 CD2 PHE A 31 3.138 -2.214 -3.629 1.00 0.42 C ATOM 494 CE1 PHE A 31 4.255 -3.751 -1.629 1.00 0.42 C ATOM 495 CE2 PHE A 31 3.703 -1.604 -2.527 1.00 0.50 C ATOM 496 CZ PHE A 31 4.204 -2.360 -1.504 1.00 0.51 C ATOM 0 H PHE A 31 4.987 -5.246 -4.677 1.00 0.29 H new ATOM 0 HA PHE A 31 3.022 -5.107 -6.881 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.779 -3.599 -5.390 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.014 -5.167 -4.643 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.686 -5.431 -2.812 1.00 0.33 H new ATOM 0 HD2 PHE A 31 2.698 -1.608 -4.407 1.00 0.42 H new ATOM 0 HE1 PHE A 31 4.732 -4.349 -0.867 1.00 0.42 H new ATOM 0 HE2 PHE A 31 3.749 -0.526 -2.473 1.00 0.50 H new ATOM 0 HZ PHE A 31 4.559 -1.884 -0.602 1.00 0.51 H new ATOM 506 N SER A 32 3.498 -2.625 -7.383 1.00 0.25 N ATOM 507 CA SER A 32 3.984 -1.346 -7.841 1.00 0.23 C ATOM 508 C SER A 32 3.317 -0.282 -6.994 1.00 0.23 C ATOM 509 O SER A 32 2.324 -0.566 -6.324 1.00 0.29 O ATOM 510 CB SER A 32 3.691 -1.144 -9.328 1.00 0.25 C ATOM 511 OG SER A 32 4.285 0.043 -9.824 1.00 0.53 O ATOM 0 H SER A 32 2.573 -2.879 -7.731 1.00 0.25 H new ATOM 0 HA SER A 32 5.067 -1.288 -7.734 1.00 0.23 H new ATOM 0 HB2 SER A 32 4.063 -2.000 -9.891 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.613 -1.104 -9.484 1.00 0.25 H new ATOM 0 HG SER A 32 4.078 0.139 -10.777 1.00 0.53 H new ATOM 517 N ILE A 33 3.854 0.918 -7.002 1.00 0.23 N ATOM 518 CA ILE A 33 3.499 1.890 -5.989 1.00 0.25 C ATOM 519 C ILE A 33 3.874 3.307 -6.389 1.00 0.25 C ATOM 520 O ILE A 33 4.949 3.539 -6.942 1.00 0.32 O ATOM 521 CB ILE A 33 4.226 1.522 -4.674 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.210 2.678 -3.666 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.646 1.083 -4.982 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.224 2.530 -2.542 1.00 0.37 C ATOM 0 H ILE A 33 4.532 1.243 -7.691 1.00 0.23 H new ATOM 0 HA ILE A 33 2.417 1.864 -5.862 1.00 0.25 H new ATOM 0 HB ILE A 33 3.690 0.695 -4.208 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.403 3.611 -4.195 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.212 2.757 -3.234 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.156 0.824 -4.054 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.624 0.213 -5.639 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.179 1.896 -5.475 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.151 3.386 -1.871 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.020 1.615 -1.986 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.229 2.483 -2.962 1.00 0.37 H new ATOM 536 N GLY A 34 2.980 4.243 -6.121 1.00 0.26 N ATOM 537 CA GLY A 34 3.383 5.619 -5.991 1.00 0.43 C ATOM 538 C GLY A 34 2.562 6.315 -4.936 1.00 0.30 C ATOM 539 O GLY A 34 1.343 6.366 -5.001 1.00 0.72 O ATOM 0 H GLY A 34 1.983 4.072 -5.992 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.440 5.671 -5.730 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.265 6.130 -6.947 1.00 0.43 H new ATOM 543 N GLY A 35 3.236 6.765 -3.913 1.00 0.77 N ATOM 544 CA GLY A 35 2.608 7.578 -2.894 1.00 0.93 C ATOM 545 C GLY A 35 3.524 8.646 -2.404 1.00 0.73 C ATOM 546 O GLY A 35 4.582 8.320 -1.901 1.00 1.42 O ATOM 0 H GLY A 35 4.228 6.584 -3.758 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.702 8.031 -3.296 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.305 6.946 -2.059 1.00 0.93 H new ATOM 550 N GLY A 36 3.199 9.890 -2.552 1.00 0.40 N ATOM 551 CA GLY A 36 4.096 10.873 -2.002 1.00 0.39 C ATOM 552 C GLY A 36 3.499 12.253 -1.935 1.00 0.35 C ATOM 553 O GLY A 36 2.742 12.639 -2.822 1.00 0.48 O ATOM 0 H GLY A 36 2.366 10.245 -3.022 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.392 10.564 -1.000 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.003 10.906 -2.606 1.00 0.39 H new ATOM 557 N ILE A 37 3.844 13.009 -0.901 1.00 0.37 N ATOM 558 CA ILE A 37 3.861 14.457 -1.025 1.00 0.41 C ATOM 559 C ILE A 37 4.897 14.821 -2.074 1.00 0.38 C ATOM 560 O ILE A 37 4.927 15.930 -2.604 1.00 0.46 O ATOM 561 CB ILE A 37 4.232 15.136 0.295 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.468 14.460 0.881 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.067 15.085 1.262 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.958 15.092 2.158 1.00 0.49 C ATOM 0 H ILE A 37 4.111 12.651 0.016 1.00 0.37 H new ATOM 0 HA ILE A 37 2.865 14.798 -1.306 1.00 0.41 H new ATOM 0 HB ILE A 37 4.462 16.186 0.113 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.242 13.410 1.069 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.269 14.486 0.143 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.348 15.572 2.196 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.210 15.600 0.827 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.804 14.046 1.460 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.839 14.557 2.514 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.217 16.134 1.972 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.173 15.042 2.913 1.00 0.49 H new ATOM 576 N ASP A 38 5.765 13.845 -2.339 1.00 0.35 N ATOM 577 CA ASP A 38 6.742 13.932 -3.406 1.00 0.40 C ATOM 578 C ASP A 38 6.031 14.033 -4.750 1.00 0.56 C ATOM 579 O ASP A 38 6.479 14.722 -5.666 1.00 0.69 O ATOM 580 CB ASP A 38 7.606 12.680 -3.442 1.00 0.39 C ATOM 581 CG ASP A 38 8.736 12.772 -4.444 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.801 13.319 -4.093 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.566 12.275 -5.576 1.00 0.72 O ATOM 0 H ASP A 38 5.804 12.972 -1.814 1.00 0.35 H new ATOM 0 HA ASP A 38 7.359 14.812 -3.223 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.021 12.502 -2.450 1.00 0.39 H new ATOM 0 HB3 ASP A 38 6.981 11.821 -3.685 1.00 0.39 H new ATOM 588 N GLN A 39 4.917 13.301 -4.848 1.00 0.63 N ATOM 589 CA GLN A 39 4.161 13.178 -6.086 1.00 0.85 C ATOM 590 C GLN A 39 3.391 14.459 -6.376 1.00 0.93 C ATOM 591 O GLN A 39 3.659 15.507 -5.787 1.00 1.19 O ATOM 592 CB GLN A 39 3.194 11.994 -5.995 1.00 0.98 C ATOM 593 CG GLN A 39 3.859 10.683 -5.624 1.00 1.00 C ATOM 594 CD GLN A 39 4.872 10.200 -6.642 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.544 9.450 -7.560 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.119 10.624 -6.489 1.00 0.82 N ATOM 0 H GLN A 39 4.518 12.779 -4.068 1.00 0.63 H new ATOM 0 HA GLN A 39 4.862 13.005 -6.902 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.425 12.222 -5.256 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.690 11.875 -6.954 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.354 10.798 -4.660 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.091 9.920 -5.499 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.355 11.246 -5.716 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.842 10.328 -7.145 1.00 0.82 H new ATOM 815 N GLY A 54 -0.628 10.934 0.506 1.00 0.78 N ATOM 816 CA GLY A 54 -0.087 9.809 1.209 1.00 0.65 C ATOM 817 C GLY A 54 0.642 8.881 0.267 1.00 0.53 C ATOM 818 O GLY A 54 1.113 9.320 -0.790 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.596 10.155 1.985 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.890 9.268 1.709 1.00 0.65 H new ATOM 822 N ILE A 55 0.735 7.601 0.618 1.00 0.48 N ATOM 823 CA ILE A 55 1.393 6.649 -0.262 1.00 0.40 C ATOM 824 C ILE A 55 0.369 5.644 -0.768 1.00 0.33 C ATOM 825 O ILE A 55 -0.578 5.363 -0.063 1.00 0.43 O ATOM 826 CB ILE A 55 2.592 5.964 0.454 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.824 6.876 0.400 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.926 4.613 -0.165 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.730 8.168 1.194 1.00 0.54 C ATOM 0 H ILE A 55 0.371 7.209 1.486 1.00 0.48 H new ATOM 0 HA ILE A 55 1.810 7.173 -1.122 1.00 0.40 H new ATOM 0 HB ILE A 55 2.303 5.794 1.491 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.685 6.313 0.760 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.021 7.127 -0.642 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.769 4.169 0.364 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.061 3.954 -0.089 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.187 4.748 -1.215 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.656 8.732 1.083 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.896 8.763 0.823 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.570 7.937 2.247 1.00 0.54 H new ATOM 841 N TYR A 56 0.472 5.174 -2.019 1.00 0.25 N ATOM 842 CA TYR A 56 -0.482 4.185 -2.491 1.00 0.23 C ATOM 843 C TYR A 56 0.117 3.188 -3.453 1.00 0.18 C ATOM 844 O TYR A 56 1.032 3.477 -4.222 1.00 0.28 O ATOM 845 CB TYR A 56 -1.741 4.816 -3.106 1.00 0.36 C ATOM 846 CG TYR A 56 -1.578 6.231 -3.571 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.422 7.245 -2.653 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.588 6.548 -4.914 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.263 8.556 -3.053 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.435 7.857 -5.335 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.271 8.858 -4.399 1.00 1.01 C ATOM 852 OH TYR A 56 -1.125 10.160 -4.811 1.00 1.42 O ATOM 0 H TYR A 56 1.182 5.456 -2.695 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.777 3.642 -1.593 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.059 4.206 -3.952 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.543 4.782 -2.369 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.424 7.010 -1.599 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.717 5.764 -5.646 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.134 9.338 -2.319 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -1.444 8.094 -6.389 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.152 10.198 -5.790 1.00 1.42 H new ATOM 862 N VAL A 57 -0.424 1.997 -3.344 1.00 0.18 N ATOM 863 CA VAL A 57 -0.110 0.884 -4.199 1.00 0.17 C ATOM 864 C VAL A 57 -0.703 1.095 -5.581 1.00 0.16 C ATOM 865 O VAL A 57 -1.854 1.526 -5.700 1.00 0.22 O ATOM 866 CB VAL A 57 -0.701 -0.393 -3.592 1.00 0.22 C ATOM 867 CG1 VAL A 57 -0.641 -1.557 -4.552 1.00 0.51 C ATOM 868 CG2 VAL A 57 -0.011 -0.752 -2.307 1.00 0.58 C ATOM 0 H VAL A 57 -1.119 1.772 -2.632 1.00 0.18 H new ATOM 0 HA VAL A 57 0.973 0.797 -4.287 1.00 0.17 H new ATOM 0 HB VAL A 57 -1.750 -0.184 -3.383 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.071 -2.441 -4.080 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -1.206 -1.316 -5.452 1.00 0.51 H new ATOM 0 HG13 VAL A 57 0.397 -1.756 -4.818 1.00 0.51 H new ATOM 0 HG21 VAL A 57 -0.451 -1.662 -1.899 1.00 0.58 H new ATOM 0 HG22 VAL A 57 1.050 -0.916 -2.497 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -0.130 0.061 -1.591 1.00 0.58 H new ATOM 878 N THR A 58 0.088 0.773 -6.597 1.00 0.17 N ATOM 879 CA THR A 58 -0.299 0.942 -7.988 1.00 0.24 C ATOM 880 C THR A 58 -0.442 -0.416 -8.703 1.00 0.38 C ATOM 881 O THR A 58 -1.081 -0.509 -9.746 1.00 1.11 O ATOM 882 CB THR A 58 0.742 1.814 -8.721 1.00 0.39 C ATOM 883 OG1 THR A 58 0.943 3.033 -7.995 1.00 0.83 O ATOM 884 CG2 THR A 58 0.297 2.139 -10.137 1.00 0.69 C ATOM 0 H THR A 58 1.023 0.384 -6.475 1.00 0.17 H new ATOM 0 HA THR A 58 -1.270 1.437 -8.009 1.00 0.24 H new ATOM 0 HB THR A 58 1.674 1.251 -8.777 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.605 3.585 -8.460 1.00 0.83 H new ATOM 0 HG21 THR A 58 1.054 2.754 -10.624 1.00 0.69 H new ATOM 0 HG22 THR A 58 0.165 1.214 -10.698 1.00 0.69 H new ATOM 0 HG23 THR A 58 -0.647 2.682 -10.106 1.00 0.69 H new ATOM 892 N ARG A 59 0.161 -1.468 -8.155 1.00 0.31 N ATOM 893 CA ARG A 59 -0.019 -2.823 -8.705 1.00 0.26 C ATOM 894 C ARG A 59 0.080 -3.898 -7.631 1.00 0.26 C ATOM 895 O ARG A 59 -0.066 -3.615 -6.451 1.00 0.27 O ATOM 896 CB ARG A 59 1.006 -3.136 -9.799 1.00 0.26 C ATOM 897 CG ARG A 59 0.685 -2.508 -11.134 1.00 0.34 C ATOM 898 CD ARG A 59 1.575 -3.051 -12.242 1.00 0.45 C ATOM 899 NE ARG A 59 1.258 -2.463 -13.545 1.00 1.06 N ATOM 900 CZ ARG A 59 1.520 -3.057 -14.711 1.00 1.50 C ATOM 901 NH1 ARG A 59 2.075 -4.263 -14.737 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.223 -2.448 -15.853 1.00 2.27 N ATOM 0 H ARG A 59 0.773 -1.418 -7.340 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.022 -2.834 -9.132 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.988 -2.792 -9.473 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.072 -4.217 -9.923 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.360 -2.695 -11.382 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.808 -1.427 -11.066 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.618 -2.850 -11.999 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.464 -4.134 -12.297 1.00 0.45 H new ATOM 0 HE ARG A 59 0.811 -1.546 -13.563 1.00 1.06 H new ATOM 0 HH11 ARG A 59 2.303 -4.739 -13.864 1.00 1.52 H new ATOM 0 HH12 ARG A 59 2.274 -4.714 -15.630 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.793 -1.523 -15.841 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.425 -2.905 -16.742 1.00 2.27 H new ATOM 916 N VAL A 60 0.219 -5.135 -8.112 1.00 0.26 N ATOM 917 CA VAL A 60 0.617 -6.324 -7.331 1.00 0.27 C ATOM 918 C VAL A 60 0.928 -7.439 -8.324 1.00 0.36 C ATOM 919 O VAL A 60 0.223 -7.586 -9.320 1.00 0.51 O ATOM 920 CB VAL A 60 -0.447 -6.879 -6.327 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.032 -8.198 -5.740 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.728 -5.927 -5.182 1.00 0.75 C ATOM 0 H VAL A 60 0.052 -5.352 -9.095 1.00 0.26 H new ATOM 0 HA VAL A 60 1.462 -6.006 -6.721 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.368 -7.011 -6.895 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.714 -8.578 -5.042 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.180 -8.921 -6.542 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.974 -8.042 -5.214 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.473 -6.366 -4.519 1.00 0.75 H new ATOM 0 HG22 VAL A 60 0.191 -5.746 -4.625 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.105 -4.984 -5.577 1.00 0.75 H new ATOM 932 N SER A 61 1.986 -8.195 -8.079 1.00 0.45 N ATOM 933 CA SER A 61 2.326 -9.316 -8.938 1.00 0.56 C ATOM 934 C SER A 61 1.496 -10.535 -8.598 1.00 0.56 C ATOM 935 O SER A 61 1.357 -10.902 -7.426 1.00 0.64 O ATOM 936 CB SER A 61 3.800 -9.669 -8.801 1.00 0.72 C ATOM 937 OG SER A 61 4.146 -9.857 -7.437 1.00 1.65 O ATOM 0 H SER A 61 2.622 -8.053 -7.294 1.00 0.45 H new ATOM 0 HA SER A 61 2.115 -9.015 -9.964 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.016 -10.577 -9.365 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.411 -8.875 -9.230 1.00 0.72 H new ATOM 0 HG SER A 61 4.229 -8.985 -6.997 1.00 1.65 H new ATOM 943 N GLU A 62 0.959 -11.145 -9.633 1.00 0.68 N ATOM 944 CA GLU A 62 0.296 -12.425 -9.530 1.00 0.73 C ATOM 945 C GLU A 62 1.242 -13.469 -8.985 1.00 0.74 C ATOM 946 O GLU A 62 2.216 -13.841 -9.642 1.00 0.84 O ATOM 947 CB GLU A 62 -0.168 -12.832 -10.909 1.00 0.86 C ATOM 948 CG GLU A 62 -1.480 -12.187 -11.316 1.00 1.45 C ATOM 949 CD GLU A 62 -1.712 -12.230 -12.812 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.197 -11.340 -13.524 1.00 1.85 O ATOM 951 OE2 GLU A 62 -2.406 -13.153 -13.284 1.00 1.75 O ATOM 0 H GLU A 62 0.971 -10.762 -10.578 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.552 -12.343 -8.850 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.600 -12.567 -11.636 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.278 -13.916 -10.942 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.302 -12.694 -10.810 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.490 -11.150 -10.980 1.00 1.45 H new ATOM 958 N GLY A 63 0.976 -13.912 -7.779 1.00 0.76 N ATOM 959 CA GLY A 63 1.779 -14.952 -7.187 1.00 0.86 C ATOM 960 C GLY A 63 2.891 -14.393 -6.323 1.00 0.80 C ATOM 961 O GLY A 63 3.493 -15.121 -5.535 1.00 0.92 O ATOM 0 H GLY A 63 0.214 -13.570 -7.193 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.144 -15.601 -6.584 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.209 -15.570 -7.975 1.00 0.86 H new ATOM 965 N GLY A 64 3.168 -13.102 -6.474 1.00 0.67 N ATOM 966 CA GLY A 64 4.166 -12.466 -5.650 1.00 0.66 C ATOM 967 C GLY A 64 3.680 -12.290 -4.241 1.00 0.63 C ATOM 968 O GLY A 64 2.512 -12.528 -3.942 1.00 0.99 O ATOM 0 H GLY A 64 2.717 -12.489 -7.153 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.076 -13.065 -5.650 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.424 -11.495 -6.072 1.00 0.66 H new ATOM 972 N PRO A 65 4.539 -11.801 -3.367 1.00 0.37 N ATOM 973 CA PRO A 65 4.306 -11.857 -1.939 1.00 0.27 C ATOM 974 C PRO A 65 3.240 -10.894 -1.486 1.00 0.23 C ATOM 975 O PRO A 65 2.506 -11.152 -0.533 1.00 0.29 O ATOM 976 CB PRO A 65 5.665 -11.515 -1.362 1.00 0.32 C ATOM 977 CG PRO A 65 6.315 -10.650 -2.381 1.00 0.43 C ATOM 978 CD PRO A 65 5.792 -11.113 -3.709 1.00 0.44 C ATOM 0 HA PRO A 65 3.931 -12.827 -1.612 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.569 -10.996 -0.409 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.252 -12.415 -1.177 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.076 -9.600 -2.212 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.400 -10.741 -2.336 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.618 -10.276 -4.385 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.495 -11.783 -4.205 1.00 0.44 H new ATOM 986 N ALA A 66 3.138 -9.810 -2.200 1.00 0.22 N ATOM 987 CA ALA A 66 2.146 -8.811 -1.922 1.00 0.24 C ATOM 988 C ALA A 66 0.734 -9.379 -2.042 1.00 0.29 C ATOM 989 O ALA A 66 -0.186 -8.926 -1.366 1.00 0.36 O ATOM 990 CB ALA A 66 2.345 -7.666 -2.876 1.00 0.27 C ATOM 0 H ALA A 66 3.742 -9.593 -2.993 1.00 0.22 H new ATOM 0 HA ALA A 66 2.261 -8.464 -0.895 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.599 -6.895 -2.680 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.343 -7.248 -2.740 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.237 -8.023 -3.900 1.00 0.27 H new ATOM 996 N GLU A 67 0.570 -10.396 -2.884 1.00 0.30 N ATOM 997 CA GLU A 67 -0.737 -11.003 -3.090 1.00 0.42 C ATOM 998 C GLU A 67 -1.073 -11.886 -1.901 1.00 0.39 C ATOM 999 O GLU A 67 -2.221 -11.973 -1.469 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.749 -11.837 -4.373 1.00 0.53 C ATOM 1001 CG GLU A 67 -2.135 -12.318 -4.770 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.095 -13.365 -5.860 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -1.436 -13.130 -6.888 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -2.725 -14.433 -5.687 1.00 1.79 O ATOM 0 H GLU A 67 1.323 -10.814 -3.431 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.482 -10.213 -3.186 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.332 -11.244 -5.187 1.00 0.53 H new ATOM 0 HB3 GLU A 67 -0.097 -12.701 -4.242 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.638 -12.729 -3.895 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.728 -11.468 -5.109 1.00 0.77 H new ATOM 1011 N ILE A 68 -0.042 -12.518 -1.369 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.175 -13.409 -0.223 1.00 0.31 C ATOM 1013 C ILE A 68 -0.611 -12.624 1.007 1.00 0.28 C ATOM 1014 O ILE A 68 -1.496 -13.049 1.754 1.00 0.34 O ATOM 1015 CB ILE A 68 1.158 -14.153 0.061 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.391 -15.273 -0.960 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.170 -14.729 1.469 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.309 -14.836 -2.403 1.00 0.51 C ATOM 0 H ILE A 68 0.913 -12.430 -1.717 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.937 -14.153 -0.458 1.00 0.31 H new ATOM 0 HB ILE A 68 1.965 -13.426 -0.028 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.373 -15.710 -0.782 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.656 -16.060 -0.790 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.114 -15.245 1.643 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.059 -13.922 2.193 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.346 -15.433 1.581 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.487 -15.693 -3.053 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.319 -14.427 -2.604 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.063 -14.072 -2.595 1.00 0.51 H new ATOM 1030 N ALA A 69 0.001 -11.465 1.201 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.358 -10.596 2.310 1.00 0.24 C ATOM 1032 C ALA A 69 -1.708 -9.943 2.060 1.00 0.31 C ATOM 1033 O ALA A 69 -2.393 -9.537 3.000 1.00 0.41 O ATOM 1034 CB ALA A 69 0.708 -9.542 2.529 1.00 0.24 C ATOM 0 H ALA A 69 0.747 -11.106 0.606 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.430 -11.204 3.212 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.421 -8.902 3.363 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.658 -10.027 2.754 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.813 -8.938 1.628 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.094 -9.860 0.793 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.385 -9.294 0.465 1.00 0.41 C ATOM 1042 C GLY A 70 -3.313 -7.845 0.028 1.00 0.36 C ATOM 1043 O GLY A 70 -3.809 -6.961 0.719 1.00 0.45 O ATOM 0 H GLY A 70 -1.541 -10.172 -0.005 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.840 -9.884 -0.331 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.039 -9.372 1.334 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.694 -7.593 -1.112 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.622 -6.242 -1.648 1.00 0.30 C ATOM 1049 C LEU A 71 -3.307 -6.187 -3.014 1.00 0.24 C ATOM 1050 O LEU A 71 -3.340 -7.192 -3.734 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.168 -5.813 -1.725 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.931 -4.311 -1.689 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.746 -3.663 -0.573 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.546 -4.050 -1.482 1.00 0.87 C ATOM 0 H LEU A 71 -2.235 -8.302 -1.684 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.147 -5.547 -0.992 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.627 -6.270 -0.896 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.737 -6.210 -2.644 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.251 -3.874 -2.635 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.562 -2.589 -0.565 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.807 -3.848 -0.743 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.452 -4.089 0.386 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.725 -2.975 -1.455 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.866 -4.495 -0.540 1.00 0.87 H new ATOM 0 HD23 LEU A 71 1.112 -4.492 -2.302 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.860 -5.030 -3.384 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.831 -4.993 -4.470 1.00 0.33 C ATOM 1068 C GLN A 72 -4.573 -3.951 -5.558 1.00 0.25 C ATOM 1069 O GLN A 72 -5.533 -3.473 -6.166 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.190 -4.733 -3.869 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.596 -5.786 -2.870 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.645 -5.285 -1.909 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.515 -4.035 -1.498 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.545 -6.022 -1.499 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.656 -4.127 -2.956 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.754 -5.957 -4.972 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.187 -3.758 -3.382 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.933 -4.689 -4.666 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.978 -6.659 -3.400 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.719 -6.111 -2.311 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.613 -6.981 -1.839 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -9.221 -5.672 -0.820 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.314 -3.620 -5.851 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.012 -2.796 -7.015 1.00 0.26 C ATOM 1085 C ILE A 73 -3.412 -1.309 -6.825 1.00 0.23 C ATOM 1086 O ILE A 73 -3.016 -0.456 -7.614 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.695 -3.402 -8.291 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -2.990 -4.678 -8.767 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.744 -2.413 -9.425 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.257 -5.893 -7.915 1.00 0.77 C ATOM 0 H ILE A 73 -2.501 -3.906 -5.306 1.00 0.24 H new ATOM 0 HA ILE A 73 -1.930 -2.804 -7.144 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.714 -3.651 -7.995 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -3.302 -4.891 -9.789 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -1.916 -4.497 -8.793 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.224 -2.873 -10.289 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.313 -1.535 -9.118 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.730 -2.114 -9.691 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -2.720 -6.749 -8.324 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -2.918 -5.705 -6.896 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.326 -6.105 -7.908 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.121 -0.968 -5.752 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.710 0.367 -5.683 1.00 0.25 C ATOM 1104 C GLY A 74 -5.078 0.768 -4.278 1.00 0.29 C ATOM 1105 O GLY A 74 -6.206 1.175 -4.004 1.00 0.37 O ATOM 0 H GLY A 74 -4.298 -1.570 -4.948 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.006 1.092 -6.091 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.600 0.400 -6.311 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.108 0.696 -3.398 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.371 0.813 -1.965 1.00 0.34 C ATOM 1111 C ASP A 75 -3.601 1.984 -1.376 1.00 0.30 C ATOM 1112 O ASP A 75 -2.505 2.278 -1.812 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.017 -0.487 -1.244 1.00 0.44 C ATOM 1114 CG ASP A 75 -4.778 -1.676 -1.792 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -5.941 -1.877 -1.389 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.212 -2.406 -2.633 1.00 0.89 O ATOM 0 H ASP A 75 -3.127 0.557 -3.639 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.436 0.999 -1.824 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -2.946 -0.670 -1.336 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.232 -0.380 -0.181 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.152 2.620 -0.358 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.629 3.877 0.141 1.00 0.28 C ATOM 1123 C LYS A 76 -2.905 3.652 1.467 1.00 0.28 C ATOM 1124 O LYS A 76 -3.526 3.499 2.509 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.778 4.879 0.293 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.687 4.954 -0.936 1.00 0.74 C ATOM 1127 CD LYS A 76 -4.887 5.208 -2.210 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.702 4.969 -3.477 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.401 6.194 -3.953 1.00 2.20 N ATOM 0 H LYS A 76 -4.972 2.280 0.144 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.907 4.286 -0.566 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.376 4.605 1.162 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.364 5.868 0.490 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.244 4.022 -1.035 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.419 5.750 -0.800 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.523 6.235 -2.206 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -4.011 4.559 -2.219 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -5.043 4.604 -4.264 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -6.437 4.187 -3.288 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.939 5.974 -4.816 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -7.052 6.531 -3.215 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -5.701 6.934 -4.161 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.588 3.642 1.398 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.722 3.284 2.511 1.00 0.27 C ATOM 1145 C ILE A 77 -0.657 4.340 3.593 1.00 0.25 C ATOM 1146 O ILE A 77 -0.357 5.529 3.317 1.00 0.29 O ATOM 1147 CB ILE A 77 0.705 3.019 2.019 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.716 1.746 1.188 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.713 2.952 3.170 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.694 2.011 -0.289 1.00 0.49 C ATOM 0 H ILE A 77 -1.077 3.887 0.550 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.163 2.386 2.943 1.00 0.27 H new ATOM 0 HB ILE A 77 1.019 3.857 1.397 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.605 1.165 1.434 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.147 1.136 1.455 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.709 2.762 2.771 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.713 3.899 3.710 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.436 2.147 3.850 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.703 1.064 -0.829 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.208 2.566 -0.546 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.571 2.595 -0.567 1.00 0.49 H new ATOM 1162 N MET A 78 -0.930 3.854 4.811 1.00 0.22 N ATOM 1163 CA MET A 78 -0.780 4.598 6.045 1.00 0.24 C ATOM 1164 C MET A 78 0.595 4.392 6.677 1.00 0.24 C ATOM 1165 O MET A 78 1.081 5.266 7.387 1.00 0.30 O ATOM 1166 CB MET A 78 -1.856 4.181 7.060 1.00 0.33 C ATOM 1167 CG MET A 78 -3.295 4.226 6.553 1.00 0.32 C ATOM 1168 SD MET A 78 -3.920 5.906 6.357 1.00 0.75 S ATOM 1169 CE MET A 78 -2.991 6.419 4.922 1.00 1.06 C ATOM 0 H MET A 78 -1.271 2.904 4.957 1.00 0.22 H new ATOM 0 HA MET A 78 -0.891 5.652 5.790 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.640 3.167 7.395 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.777 4.829 7.933 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.354 3.708 5.596 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.937 3.684 7.248 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.549 7.184 4.382 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.030 6.825 5.237 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.827 5.562 4.269 1.00 1.06 H new ATOM 1179 N GLN A 79 1.216 3.238 6.445 1.00 0.23 N ATOM 1180 CA GLN A 79 2.540 2.968 7.027 1.00 0.23 C ATOM 1181 C GLN A 79 3.387 2.037 6.192 1.00 0.24 C ATOM 1182 O GLN A 79 2.889 1.232 5.405 1.00 0.24 O ATOM 1183 CB GLN A 79 2.465 2.365 8.426 1.00 0.26 C ATOM 1184 CG GLN A 79 2.017 3.333 9.485 1.00 0.54 C ATOM 1185 CD GLN A 79 2.140 2.753 10.876 1.00 0.50 C ATOM 1186 OE1 GLN A 79 1.234 2.088 11.379 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.274 3.003 11.504 1.00 0.43 N ATOM 0 H GLN A 79 0.838 2.485 5.871 1.00 0.23 H new ATOM 0 HA GLN A 79 3.002 3.954 7.064 1.00 0.23 H new ATOM 0 HB2 GLN A 79 1.780 1.518 8.409 1.00 0.26 H new ATOM 0 HB3 GLN A 79 3.447 1.976 8.696 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.613 4.243 9.419 1.00 0.54 H new ATOM 0 HG3 GLN A 79 0.981 3.616 9.301 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.998 3.559 11.048 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.427 2.640 12.445 1.00 0.43 H new ATOM 1196 N VAL A 80 4.679 2.136 6.440 1.00 0.28 N ATOM 1197 CA VAL A 80 5.678 1.299 5.803 1.00 0.35 C ATOM 1198 C VAL A 80 6.736 0.889 6.818 1.00 0.31 C ATOM 1199 O VAL A 80 7.538 1.712 7.249 1.00 0.31 O ATOM 1200 CB VAL A 80 6.365 2.021 4.626 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.649 1.314 4.233 1.00 0.85 C ATOM 1202 CG2 VAL A 80 5.436 2.119 3.427 1.00 1.31 C ATOM 0 H VAL A 80 5.070 2.810 7.099 1.00 0.28 H new ATOM 0 HA VAL A 80 5.166 0.419 5.414 1.00 0.35 H new ATOM 0 HB VAL A 80 6.609 3.031 4.956 1.00 0.52 H new ATOM 0 HG11 VAL A 80 8.115 1.842 3.401 1.00 0.85 H new ATOM 0 HG12 VAL A 80 8.332 1.301 5.083 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.424 0.291 3.933 1.00 0.85 H new ATOM 0 HG21 VAL A 80 5.946 2.632 2.612 1.00 1.31 H new ATOM 0 HG22 VAL A 80 5.152 1.117 3.104 1.00 1.31 H new ATOM 0 HG23 VAL A 80 4.542 2.677 3.704 1.00 1.31 H new ATOM 1212 N ASN A 81 6.707 -0.375 7.215 1.00 0.34 N ATOM 1213 CA ASN A 81 7.699 -0.943 8.129 1.00 0.38 C ATOM 1214 C ASN A 81 7.803 -0.146 9.428 1.00 0.34 C ATOM 1215 O ASN A 81 8.868 -0.077 10.038 1.00 0.40 O ATOM 1216 CB ASN A 81 9.063 -1.031 7.439 1.00 0.46 C ATOM 1217 CG ASN A 81 9.137 -2.182 6.446 1.00 0.70 C ATOM 1218 OD1 ASN A 81 9.601 -3.268 6.773 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.634 -1.971 5.241 1.00 1.18 N ATOM 0 H ASN A 81 5.995 -1.041 6.914 1.00 0.34 H new ATOM 0 HA ASN A 81 7.368 -1.947 8.394 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.266 -0.094 6.921 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.841 -1.154 8.192 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.625 -2.724 4.553 1.00 1.18 H new ATOM 0 HD22 ASN A 81 8.255 -1.055 5.000 1.00 1.18 H new ATOM 1226 N GLY A 82 6.686 0.431 9.861 1.00 0.32 N ATOM 1227 CA GLY A 82 6.688 1.191 11.099 1.00 0.34 C ATOM 1228 C GLY A 82 6.808 2.688 10.871 1.00 0.31 C ATOM 1229 O GLY A 82 6.747 3.473 11.815 1.00 0.38 O ATOM 0 H GLY A 82 5.787 0.387 9.382 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.769 0.984 11.648 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.516 0.856 11.724 1.00 0.34 H new ATOM 1233 N TRP A 83 6.973 3.086 9.615 1.00 0.28 N ATOM 1234 CA TRP A 83 7.045 4.499 9.272 1.00 0.28 C ATOM 1235 C TRP A 83 5.659 5.034 9.036 1.00 0.29 C ATOM 1236 O TRP A 83 4.716 4.266 8.906 1.00 0.48 O ATOM 1237 CB TRP A 83 7.907 4.734 8.037 1.00 0.30 C ATOM 1238 CG TRP A 83 9.359 4.565 8.303 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.066 3.409 8.237 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.280 5.584 8.691 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.375 3.646 8.550 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.532 4.968 8.843 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.170 6.953 8.936 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.667 5.671 9.218 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.303 7.654 9.304 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.538 7.006 9.448 1.00 0.76 C ATOM 0 H TRP A 83 7.059 2.452 8.821 1.00 0.28 H new ATOM 0 HA TRP A 83 7.508 5.025 10.107 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.604 4.041 7.252 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.727 5.741 7.661 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.655 2.445 7.976 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.116 2.945 8.562 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.219 7.455 8.840 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.621 5.176 9.324 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.236 8.717 9.483 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.404 7.578 9.747 1.00 0.76 H new ATOM 1257 N ASP A 84 5.547 6.337 8.953 1.00 0.39 N ATOM 1258 CA ASP A 84 4.246 6.980 8.907 1.00 0.41 C ATOM 1259 C ASP A 84 3.974 7.565 7.538 1.00 0.40 C ATOM 1260 O ASP A 84 4.654 8.490 7.092 1.00 0.59 O ATOM 1261 CB ASP A 84 4.166 8.067 9.980 1.00 0.62 C ATOM 1262 CG ASP A 84 2.779 8.679 10.110 1.00 1.16 C ATOM 1263 OD1 ASP A 84 2.468 9.621 9.350 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.982 8.199 10.948 1.00 1.89 O ATOM 0 H ASP A 84 6.339 6.979 8.916 1.00 0.39 H new ATOM 0 HA ASP A 84 3.482 6.227 9.104 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.461 7.643 10.940 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.883 8.854 9.745 1.00 0.62 H new ATOM 1269 N MET A 85 2.990 7.000 6.860 1.00 0.36 N ATOM 1270 CA MET A 85 2.629 7.456 5.538 1.00 0.46 C ATOM 1271 C MET A 85 1.325 8.215 5.566 1.00 0.36 C ATOM 1272 O MET A 85 0.238 7.647 5.634 1.00 0.56 O ATOM 1273 CB MET A 85 2.550 6.296 4.550 1.00 0.76 C ATOM 1274 CG MET A 85 3.911 5.775 4.140 1.00 0.49 C ATOM 1275 SD MET A 85 4.865 5.157 5.537 1.00 1.01 S ATOM 1276 CE MET A 85 6.511 5.312 4.884 1.00 0.44 C ATOM 0 H MET A 85 2.428 6.223 7.208 1.00 0.36 H new ATOM 0 HA MET A 85 3.415 8.132 5.200 1.00 0.46 H new ATOM 0 HB2 MET A 85 1.976 5.484 4.996 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.008 6.619 3.661 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.785 4.976 3.409 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.468 6.572 3.648 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.236 5.141 5.680 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.660 4.576 4.093 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.648 6.314 4.478 1.00 0.44 H new ATOM 1286 N THR A 86 1.477 9.508 5.515 1.00 0.31 N ATOM 1287 CA THR A 86 0.382 10.440 5.399 1.00 0.35 C ATOM 1288 C THR A 86 0.825 11.556 4.492 1.00 0.46 C ATOM 1289 O THR A 86 0.117 11.982 3.585 1.00 1.05 O ATOM 1290 CB THR A 86 0.004 11.035 6.762 1.00 0.36 C ATOM 1291 OG1 THR A 86 1.193 11.358 7.504 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.854 10.077 7.553 1.00 0.37 C ATOM 0 H THR A 86 2.391 9.960 5.554 1.00 0.31 H new ATOM 0 HA THR A 86 -0.490 9.918 5.004 1.00 0.35 H new ATOM 0 HB THR A 86 -0.571 11.944 6.589 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.420 10.613 8.098 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.107 10.524 8.514 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.769 9.865 6.999 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.306 9.149 7.717 1.00 0.37 H new ATOM 1300 N MET A 87 2.032 12.022 4.772 1.00 0.56 N ATOM 1301 CA MET A 87 2.675 13.034 3.973 1.00 0.65 C ATOM 1302 C MET A 87 4.177 12.811 3.957 1.00 0.76 C ATOM 1303 O MET A 87 4.928 13.497 4.646 1.00 1.49 O ATOM 1304 CB MET A 87 2.366 14.435 4.499 1.00 0.84 C ATOM 1305 CG MET A 87 1.483 14.449 5.741 1.00 0.97 C ATOM 1306 SD MET A 87 1.122 16.117 6.335 1.00 1.36 S ATOM 1307 CE MET A 87 0.142 15.746 7.791 1.00 1.62 C ATOM 0 H MET A 87 2.589 11.703 5.565 1.00 0.56 H new ATOM 0 HA MET A 87 2.286 12.957 2.958 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.304 14.942 4.727 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.877 15.008 3.711 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.546 13.938 5.519 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.973 13.885 6.535 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.160 16.676 8.273 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.745 15.184 7.499 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.735 15.152 8.487 1.00 1.62 H new ATOM 1317 N VAL A 88 4.602 11.807 3.210 1.00 0.40 N ATOM 1318 CA VAL A 88 6.015 11.589 2.954 1.00 0.45 C ATOM 1319 C VAL A 88 6.196 11.335 1.470 1.00 0.36 C ATOM 1320 O VAL A 88 5.247 10.941 0.792 1.00 0.39 O ATOM 1321 CB VAL A 88 6.613 10.415 3.771 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.417 10.632 5.260 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.032 9.080 3.341 1.00 1.09 C ATOM 0 H VAL A 88 3.985 11.126 2.768 1.00 0.40 H new ATOM 0 HA VAL A 88 6.554 12.482 3.271 1.00 0.45 H new ATOM 0 HB VAL A 88 7.683 10.390 3.567 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.846 9.794 5.809 1.00 0.72 H new ATOM 0 HG12 VAL A 88 6.912 11.555 5.562 1.00 0.72 H new ATOM 0 HG13 VAL A 88 5.352 10.703 5.480 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.475 8.282 3.936 1.00 1.09 H new ATOM 0 HG22 VAL A 88 4.952 9.088 3.491 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.251 8.911 2.287 1.00 1.09 H new ATOM 1333 N THR A 89 7.378 11.614 0.956 1.00 0.31 N ATOM 1334 CA THR A 89 7.652 11.426 -0.445 1.00 0.28 C ATOM 1335 C THR A 89 7.525 9.952 -0.845 1.00 0.26 C ATOM 1336 O THR A 89 7.647 9.058 -0.006 1.00 0.26 O ATOM 1337 CB THR A 89 9.050 11.984 -0.788 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.049 11.325 -0.012 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.095 13.484 -0.511 1.00 0.35 C ATOM 0 H THR A 89 8.165 11.974 1.496 1.00 0.31 H new ATOM 0 HA THR A 89 6.909 11.978 -1.021 1.00 0.28 H new ATOM 0 HB THR A 89 9.246 11.806 -1.845 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.438 11.959 0.626 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.085 13.870 -0.756 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.347 13.989 -1.122 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.885 13.666 0.543 1.00 0.35 H new ATOM 1347 N HIS A 90 7.232 9.711 -2.119 1.00 0.26 N ATOM 1348 CA HIS A 90 7.112 8.350 -2.647 1.00 0.25 C ATOM 1349 C HIS A 90 8.337 7.556 -2.310 1.00 0.27 C ATOM 1350 O HIS A 90 8.264 6.416 -1.864 1.00 0.30 O ATOM 1351 CB HIS A 90 6.931 8.384 -4.160 1.00 0.25 C ATOM 1352 CG HIS A 90 6.895 7.034 -4.826 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.205 6.853 -6.155 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.586 5.797 -4.349 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.088 5.578 -6.463 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.718 4.915 -5.388 1.00 0.32 N ATOM 0 H HIS A 90 7.072 10.443 -2.811 1.00 0.26 H new ATOM 0 HA HIS A 90 6.240 7.879 -2.192 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.004 8.910 -4.388 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.743 8.966 -4.595 1.00 0.25 H new ATOM 0 HD1 HIS A 90 7.482 7.592 -6.801 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.291 5.556 -3.338 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.266 5.147 -7.437 1.00 0.35 H new ATOM 1365 N ASP A 91 9.450 8.196 -2.523 1.00 0.31 N ATOM 1366 CA ASP A 91 10.742 7.564 -2.312 1.00 0.34 C ATOM 1367 C ASP A 91 10.991 7.383 -0.839 1.00 0.32 C ATOM 1368 O ASP A 91 11.673 6.447 -0.436 1.00 0.33 O ATOM 1369 CB ASP A 91 11.886 8.330 -2.967 1.00 0.41 C ATOM 1370 CG ASP A 91 11.912 8.119 -4.469 1.00 1.03 C ATOM 1371 OD1 ASP A 91 12.095 6.962 -4.911 1.00 1.45 O ATOM 1372 OD2 ASP A 91 11.735 9.101 -5.215 1.00 1.67 O ATOM 0 H ASP A 91 9.500 9.163 -2.845 1.00 0.31 H new ATOM 0 HA ASP A 91 10.710 6.587 -2.795 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.784 9.393 -2.750 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.834 8.007 -2.537 1.00 0.41 H new ATOM 1377 N GLN A 92 10.429 8.271 -0.033 1.00 0.31 N ATOM 1378 CA GLN A 92 10.568 8.168 1.393 1.00 0.32 C ATOM 1379 C GLN A 92 9.981 6.845 1.864 1.00 0.29 C ATOM 1380 O GLN A 92 10.615 6.101 2.604 1.00 0.31 O ATOM 1381 CB GLN A 92 9.863 9.330 2.058 1.00 0.36 C ATOM 1382 CG GLN A 92 10.101 9.388 3.528 1.00 0.42 C ATOM 1383 CD GLN A 92 10.451 10.779 3.989 1.00 0.57 C ATOM 1384 OE1 GLN A 92 9.450 11.518 4.407 1.00 0.77 O flip ATOM 1385 NE2 GLN A 92 11.616 11.173 3.988 1.00 0.62 N flip ATOM 0 H GLN A 92 9.875 9.066 -0.351 1.00 0.31 H new ATOM 0 HA GLN A 92 11.623 8.201 1.664 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.200 10.261 1.603 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.792 9.254 1.871 1.00 0.36 H new ATOM 0 HG2 GLN A 92 9.209 9.046 4.053 1.00 0.42 H new ATOM 0 HG3 GLN A 92 10.908 8.705 3.792 1.00 0.42 H new ATOM 0 HE21 GLN A 92 12.361 10.562 3.653 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.837 12.111 4.322 1.00 0.62 H new ATOM 1394 N ALA A 93 8.784 6.534 1.383 1.00 0.27 N ATOM 1395 CA ALA A 93 8.119 5.291 1.754 1.00 0.28 C ATOM 1396 C ALA A 93 8.771 4.108 1.055 1.00 0.28 C ATOM 1397 O ALA A 93 8.964 3.049 1.641 1.00 0.33 O ATOM 1398 CB ALA A 93 6.651 5.352 1.391 1.00 0.33 C ATOM 0 H ALA A 93 8.256 7.122 0.738 1.00 0.27 H new ATOM 0 HA ALA A 93 8.215 5.161 2.832 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.167 4.417 1.674 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.179 6.180 1.921 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.548 5.503 0.317 1.00 0.33 H new ATOM 1404 N ARG A 94 9.100 4.322 -0.209 1.00 0.27 N ATOM 1405 CA ARG A 94 9.736 3.320 -1.054 1.00 0.30 C ATOM 1406 C ARG A 94 11.041 2.825 -0.426 1.00 0.33 C ATOM 1407 O ARG A 94 11.316 1.623 -0.385 1.00 0.37 O ATOM 1408 CB ARG A 94 10.031 3.971 -2.399 1.00 0.34 C ATOM 1409 CG ARG A 94 10.388 3.026 -3.528 1.00 0.43 C ATOM 1410 CD ARG A 94 10.836 3.834 -4.736 1.00 0.57 C ATOM 1411 NE ARG A 94 11.401 3.022 -5.806 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.009 3.546 -6.873 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.197 4.862 -6.953 1.00 1.57 N ATOM 1414 NH2 ARG A 94 12.460 2.758 -7.840 1.00 2.10 N ATOM 0 H ARG A 94 8.931 5.208 -0.685 1.00 0.27 H new ATOM 0 HA ARG A 94 9.075 2.461 -1.170 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.158 4.551 -2.699 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.852 4.675 -2.267 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.182 2.349 -3.214 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.528 2.409 -3.787 1.00 0.43 H new ATOM 0 HD2 ARG A 94 9.984 4.391 -5.126 1.00 0.57 H new ATOM 0 HD3 ARG A 94 11.577 4.567 -4.417 1.00 0.57 H new ATOM 0 HE ARG A 94 11.329 2.007 -5.737 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.877 5.470 -6.199 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.662 5.262 -7.768 1.00 1.57 H new ATOM 0 HH21 ARG A 94 12.343 1.747 -7.770 1.00 2.10 H new ATOM 0 HH22 ARG A 94 12.924 3.163 -8.653 1.00 2.10 H new ATOM 1428 N LYS A 95 11.826 3.772 0.079 1.00 0.33 N ATOM 1429 CA LYS A 95 13.121 3.489 0.644 1.00 0.40 C ATOM 1430 C LYS A 95 12.960 2.777 1.977 1.00 0.42 C ATOM 1431 O LYS A 95 13.764 1.923 2.334 1.00 0.46 O ATOM 1432 CB LYS A 95 13.884 4.811 0.803 1.00 0.46 C ATOM 1433 CG LYS A 95 15.269 4.686 1.394 1.00 0.64 C ATOM 1434 CD LYS A 95 15.230 4.700 2.915 1.00 0.56 C ATOM 1435 CE LYS A 95 16.445 4.022 3.517 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.716 4.727 3.180 1.00 0.96 N ATOM 0 H LYS A 95 11.571 4.759 0.103 1.00 0.33 H new ATOM 0 HA LYS A 95 13.688 2.830 -0.014 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.965 5.285 -0.175 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.296 5.478 1.433 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.731 3.761 1.049 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.893 5.505 1.037 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.177 5.730 3.267 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.326 4.198 3.260 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.333 3.978 4.600 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.498 2.993 3.160 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.517 4.225 3.614 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.839 4.747 2.147 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.680 5.701 3.543 1.00 0.96 H new ATOM 1450 N ARG A 96 11.913 3.134 2.708 1.00 0.45 N ATOM 1451 CA ARG A 96 11.646 2.510 3.994 1.00 0.51 C ATOM 1452 C ARG A 96 11.094 1.105 3.806 1.00 0.57 C ATOM 1453 O ARG A 96 11.245 0.246 4.673 1.00 0.72 O ATOM 1454 CB ARG A 96 10.670 3.358 4.817 1.00 0.55 C ATOM 1455 CG ARG A 96 11.173 4.766 5.075 1.00 0.59 C ATOM 1456 CD ARG A 96 12.569 4.755 5.667 1.00 0.72 C ATOM 1457 NE ARG A 96 13.152 6.091 5.725 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.372 6.340 6.191 1.00 2.35 C ATOM 1459 NH1 ARG A 96 15.110 5.353 6.685 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.848 7.575 6.170 1.00 3.57 N ATOM 0 H ARG A 96 11.239 3.848 2.434 1.00 0.45 H new ATOM 0 HA ARG A 96 12.588 2.442 4.538 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.715 3.410 4.295 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.485 2.864 5.771 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.176 5.329 4.142 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.492 5.278 5.754 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.533 4.332 6.671 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.210 4.106 5.070 1.00 0.72 H new ATOM 0 HE ARG A 96 12.594 6.876 5.390 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.741 4.402 6.707 1.00 1.58 H new ATOM 0 HH12 ARG A 96 16.046 5.545 7.042 1.00 1.58 H new ATOM 0 HH21 ARG A 96 14.279 8.335 5.797 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.784 7.767 6.527 1.00 3.57 H new ATOM 1474 N LEU A 97 10.461 0.889 2.664 1.00 0.52 N ATOM 1475 CA LEU A 97 9.816 -0.368 2.356 1.00 0.57 C ATOM 1476 C LEU A 97 10.838 -1.478 2.152 1.00 0.64 C ATOM 1477 O LEU A 97 10.841 -2.473 2.879 1.00 0.96 O ATOM 1478 CB LEU A 97 8.966 -0.176 1.099 1.00 0.70 C ATOM 1479 CG LEU A 97 7.864 -1.206 0.874 1.00 0.88 C ATOM 1480 CD1 LEU A 97 6.842 -0.669 -0.110 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.438 -2.515 0.358 1.00 1.65 C ATOM 0 H LEU A 97 10.382 1.587 1.924 1.00 0.52 H new ATOM 0 HA LEU A 97 9.184 -0.667 3.192 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.509 0.813 1.141 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.627 -0.185 0.232 1.00 0.70 H new ATOM 0 HG LEU A 97 7.378 -1.397 1.831 1.00 0.88 H new ATOM 0 HD11 LEU A 97 6.060 -1.412 -0.264 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.401 0.246 0.286 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.330 -0.454 -1.061 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.631 -3.232 0.206 1.00 1.65 H new ATOM 0 HD22 LEU A 97 8.950 -2.340 -0.588 1.00 1.65 H new ATOM 0 HD23 LEU A 97 9.145 -2.914 1.085 1.00 1.65 H new ATOM 1493 N THR A 98 11.702 -1.307 1.167 1.00 0.54 N ATOM 1494 CA THR A 98 12.674 -2.329 0.832 1.00 0.65 C ATOM 1495 C THR A 98 14.025 -2.041 1.470 1.00 0.74 C ATOM 1496 O THR A 98 14.351 -2.588 2.528 1.00 1.53 O ATOM 1497 CB THR A 98 12.828 -2.452 -0.694 1.00 0.92 C ATOM 1498 OG1 THR A 98 12.855 -1.144 -1.287 1.00 1.15 O ATOM 1499 CG2 THR A 98 11.692 -3.270 -1.290 1.00 1.12 C ATOM 0 H THR A 98 11.749 -0.470 0.586 1.00 0.54 H new ATOM 0 HA THR A 98 12.305 -3.275 1.229 1.00 0.65 H new ATOM 0 HB THR A 98 13.766 -2.965 -0.906 1.00 0.92 H new ATOM 0 HG1 THR A 98 12.955 -1.227 -2.258 1.00 1.15 H new ATOM 0 HG21 THR A 98 11.823 -3.343 -2.370 1.00 1.12 H new ATOM 0 HG22 THR A 98 11.697 -4.270 -0.856 1.00 1.12 H new ATOM 0 HG23 THR A 98 10.741 -2.784 -1.072 1.00 1.12 H new ATOM 1507 N LYS A 99 14.812 -1.197 0.805 1.00 0.79 N ATOM 1508 CA LYS A 99 16.117 -0.759 1.309 1.00 1.12 C ATOM 1509 C LYS A 99 17.126 -1.904 1.357 1.00 1.36 C ATOM 1510 O LYS A 99 18.306 -1.709 1.662 1.00 2.28 O ATOM 1511 CB LYS A 99 15.918 -0.064 2.674 1.00 1.29 C ATOM 1512 CG LYS A 99 16.931 -0.414 3.748 1.00 1.18 C ATOM 1513 CD LYS A 99 16.432 -0.025 5.133 1.00 1.56 C ATOM 1514 CE LYS A 99 15.111 -0.710 5.468 1.00 1.98 C ATOM 1515 NZ LYS A 99 14.629 -0.351 6.832 1.00 2.72 N ATOM 0 H LYS A 99 14.565 -0.796 -0.100 1.00 0.79 H new ATOM 0 HA LYS A 99 16.550 -0.035 0.618 1.00 1.12 H new ATOM 0 HB2 LYS A 99 15.940 1.015 2.518 1.00 1.29 H new ATOM 0 HB3 LYS A 99 14.923 -0.312 3.045 1.00 1.29 H new ATOM 0 HG2 LYS A 99 17.136 -1.484 3.721 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.872 0.096 3.542 1.00 1.18 H new ATOM 0 HD2 LYS A 99 17.181 -0.293 5.878 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.305 1.056 5.184 1.00 1.56 H new ATOM 0 HE2 LYS A 99 14.359 -0.428 4.731 1.00 1.98 H new ATOM 0 HE3 LYS A 99 15.235 -1.791 5.399 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 14.660 -1.192 7.444 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 15.239 0.391 7.232 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.651 -0.001 6.774 1.00 2.72 H new ATOM 1529 N ARG A 100 16.657 -3.077 0.979 1.00 1.04 N ATOM 1530 CA ARG A 100 17.474 -4.269 0.924 1.00 1.17 C ATOM 1531 C ARG A 100 18.044 -4.612 2.300 1.00 1.12 C ATOM 1532 O ARG A 100 19.238 -4.881 2.441 1.00 1.39 O ATOM 1533 CB ARG A 100 18.606 -4.114 -0.103 1.00 1.55 C ATOM 1534 CG ARG A 100 18.120 -3.857 -1.523 1.00 2.10 C ATOM 1535 CD ARG A 100 19.269 -3.866 -2.517 1.00 2.50 C ATOM 1536 NE ARG A 100 18.804 -3.732 -3.896 1.00 3.10 N ATOM 1537 CZ ARG A 100 19.595 -3.821 -4.963 1.00 3.59 C ATOM 1538 NH1 ARG A 100 20.903 -3.998 -4.815 1.00 3.60 N ATOM 1539 NH2 ARG A 100 19.075 -3.723 -6.177 1.00 4.38 N ATOM 0 H ARG A 100 15.688 -3.229 0.699 1.00 1.04 H new ATOM 0 HA ARG A 100 16.834 -5.092 0.607 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.252 -3.291 0.204 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.216 -5.017 -0.096 1.00 1.55 H new ATOM 0 HG2 ARG A 100 17.391 -4.618 -1.802 1.00 2.10 H new ATOM 0 HG3 ARG A 100 17.609 -2.895 -1.565 1.00 2.10 H new ATOM 0 HD2 ARG A 100 19.955 -3.051 -2.285 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.831 -4.794 -2.413 1.00 2.50 H new ATOM 0 HE ARG A 100 17.811 -3.559 -4.051 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.306 -4.066 -3.880 1.00 3.60 H new ATOM 0 HH12 ARG A 100 21.505 -4.066 -5.636 1.00 3.60 H new ATOM 0 HH21 ARG A 100 18.072 -3.580 -6.292 1.00 4.38 H new ATOM 0 HH22 ARG A 100 19.678 -3.791 -6.997 1.00 4.38 H new ATOM 1553 N SER A 101 17.188 -4.602 3.314 1.00 1.05 N ATOM 1554 CA SER A 101 17.634 -4.881 4.671 1.00 1.37 C ATOM 1555 C SER A 101 16.664 -5.803 5.407 1.00 1.22 C ATOM 1556 O SER A 101 17.057 -6.862 5.892 1.00 1.64 O ATOM 1557 CB SER A 101 17.801 -3.573 5.450 1.00 1.90 C ATOM 1558 OG SER A 101 18.240 -3.812 6.775 1.00 2.51 O ATOM 0 H SER A 101 16.191 -4.406 3.224 1.00 1.05 H new ATOM 0 HA SER A 101 18.595 -5.391 4.604 1.00 1.37 H new ATOM 0 HB2 SER A 101 18.518 -2.932 4.938 1.00 1.90 H new ATOM 0 HB3 SER A 101 16.852 -3.037 5.471 1.00 1.90 H new ATOM 0 HG SER A 101 18.339 -2.958 7.246 1.00 2.51 H new ATOM 1564 N GLU A 102 15.403 -5.394 5.486 1.00 1.06 N ATOM 1565 CA GLU A 102 14.404 -6.125 6.261 1.00 1.19 C ATOM 1566 C GLU A 102 14.172 -7.522 5.683 1.00 0.93 C ATOM 1567 O GLU A 102 14.315 -7.723 4.480 1.00 1.34 O ATOM 1568 CB GLU A 102 13.087 -5.346 6.276 1.00 1.63 C ATOM 1569 CG GLU A 102 13.234 -3.889 6.693 1.00 2.12 C ATOM 1570 CD GLU A 102 13.889 -3.727 8.049 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.212 -3.975 9.070 1.00 3.40 O ATOM 1572 OE2 GLU A 102 15.086 -3.367 8.097 1.00 2.95 O ATOM 0 H GLU A 102 15.046 -4.558 5.022 1.00 1.06 H new ATOM 0 HA GLU A 102 14.776 -6.234 7.280 1.00 1.19 H new ATOM 0 HB2 GLU A 102 12.642 -5.386 5.282 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.393 -5.840 6.956 1.00 1.63 H new ATOM 0 HG2 GLU A 102 13.824 -3.360 5.945 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.250 -3.421 6.712 1.00 2.12 H new ATOM 1579 N GLU A 103 13.825 -8.481 6.543 1.00 0.74 N ATOM 1580 CA GLU A 103 13.487 -9.834 6.092 1.00 0.68 C ATOM 1581 C GLU A 103 11.982 -9.951 5.891 1.00 0.54 C ATOM 1582 O GLU A 103 11.483 -10.929 5.336 1.00 0.61 O ATOM 1583 CB GLU A 103 13.934 -10.891 7.107 1.00 0.95 C ATOM 1584 CG GLU A 103 13.174 -10.824 8.424 1.00 1.37 C ATOM 1585 CD GLU A 103 13.037 -12.177 9.095 1.00 2.16 C ATOM 1586 OE1 GLU A 103 13.946 -12.564 9.859 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.023 -12.858 8.861 1.00 2.68 O ATOM 0 H GLU A 103 13.770 -8.348 7.553 1.00 0.74 H new ATOM 0 HA GLU A 103 14.010 -10.009 5.152 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.803 -11.881 6.671 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.999 -10.767 7.304 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.687 -10.139 9.099 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.181 -10.411 8.244 1.00 1.37 H new ATOM 1594 N VAL A 104 11.271 -8.938 6.344 1.00 0.40 N ATOM 1595 CA VAL A 104 9.828 -8.926 6.324 1.00 0.33 C ATOM 1596 C VAL A 104 9.358 -7.498 6.124 1.00 0.29 C ATOM 1597 O VAL A 104 9.959 -6.561 6.647 1.00 0.34 O ATOM 1598 CB VAL A 104 9.230 -9.530 7.619 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.811 -8.867 8.861 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.714 -9.425 7.615 1.00 0.37 C ATOM 0 H VAL A 104 11.685 -8.094 6.739 1.00 0.40 H new ATOM 0 HA VAL A 104 9.479 -9.549 5.500 1.00 0.33 H new ATOM 0 HB VAL A 104 9.501 -10.585 7.646 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.370 -9.314 9.752 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.891 -9.011 8.879 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.588 -7.800 8.842 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.317 -9.856 8.534 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.422 -8.377 7.550 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.314 -9.967 6.758 1.00 0.37 H new ATOM 1610 N VAL A 105 8.302 -7.336 5.359 1.00 0.28 N ATOM 1611 CA VAL A 105 7.885 -6.030 4.919 1.00 0.28 C ATOM 1612 C VAL A 105 6.524 -5.666 5.453 1.00 0.26 C ATOM 1613 O VAL A 105 5.529 -6.359 5.233 1.00 0.26 O ATOM 1614 CB VAL A 105 7.916 -5.932 3.398 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.111 -4.748 2.917 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.353 -5.812 2.961 1.00 0.46 C ATOM 0 H VAL A 105 7.714 -8.101 5.028 1.00 0.28 H new ATOM 0 HA VAL A 105 8.596 -5.310 5.324 1.00 0.28 H new ATOM 0 HB VAL A 105 7.468 -6.826 2.963 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.149 -4.700 1.829 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.076 -4.857 3.240 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.527 -3.831 3.335 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.398 -5.741 1.874 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.794 -4.918 3.402 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.908 -6.691 3.290 1.00 0.46 H new ATOM 1626 N ARG A 106 6.526 -4.583 6.191 1.00 0.29 N ATOM 1627 CA ARG A 106 5.367 -4.116 6.897 1.00 0.28 C ATOM 1628 C ARG A 106 4.676 -2.997 6.143 1.00 0.26 C ATOM 1629 O ARG A 106 5.306 -2.022 5.746 1.00 0.32 O ATOM 1630 CB ARG A 106 5.800 -3.653 8.267 1.00 0.35 C ATOM 1631 CG ARG A 106 6.419 -4.765 9.091 1.00 0.43 C ATOM 1632 CD ARG A 106 7.875 -5.022 8.708 1.00 0.54 C ATOM 1633 NE ARG A 106 8.715 -5.248 9.883 1.00 0.81 N ATOM 1634 CZ ARG A 106 10.025 -5.000 9.925 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.663 -4.595 8.838 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.699 -5.163 11.056 1.00 1.46 N ATOM 0 H ARG A 106 7.349 -3.994 6.317 1.00 0.29 H new ATOM 0 HA ARG A 106 4.646 -4.928 6.989 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.519 -2.841 8.161 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.939 -3.249 8.799 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.363 -4.506 10.148 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.842 -5.680 8.956 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.930 -5.889 8.050 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.258 -4.171 8.146 1.00 0.54 H new ATOM 0 HE ARG A 106 8.272 -5.619 10.723 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.153 -4.471 7.963 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.665 -4.407 8.875 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.216 -5.479 11.897 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.701 -4.973 11.085 1.00 1.46 H new ATOM 1650 N LEU A 107 3.394 -3.146 5.940 1.00 0.24 N ATOM 1651 CA LEU A 107 2.615 -2.150 5.228 1.00 0.24 C ATOM 1652 C LEU A 107 1.312 -1.865 5.965 1.00 0.21 C ATOM 1653 O LEU A 107 0.624 -2.801 6.380 1.00 0.28 O ATOM 1654 CB LEU A 107 2.317 -2.664 3.822 1.00 0.37 C ATOM 1655 CG LEU A 107 1.794 -1.624 2.837 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.900 -0.658 2.455 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.225 -2.309 1.606 1.00 1.12 C ATOM 0 H LEU A 107 2.857 -3.953 6.258 1.00 0.24 H new ATOM 0 HA LEU A 107 3.185 -1.223 5.169 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.229 -3.099 3.413 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.585 -3.468 3.896 1.00 0.37 H new ATOM 0 HG LEU A 107 0.995 -1.056 3.314 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.513 0.079 1.751 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.264 -0.150 3.348 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.719 -1.208 1.991 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.854 -1.557 0.910 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.006 -2.897 1.123 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.406 -2.965 1.901 1.00 1.12 H new ATOM 1669 N LEU A 108 0.952 -0.600 6.135 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.354 -0.276 6.631 1.00 0.15 C ATOM 1671 C LEU A 108 -1.081 0.363 5.491 1.00 0.15 C ATOM 1672 O LEU A 108 -0.643 1.375 4.983 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.261 0.676 7.818 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.588 1.128 8.412 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.456 -0.074 8.740 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.340 1.941 9.668 1.00 0.26 C ATOM 0 H LEU A 108 1.548 0.203 5.935 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.876 -1.165 6.986 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.320 0.192 8.603 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.296 1.560 7.508 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.107 1.746 7.680 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.401 0.265 9.164 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.649 -0.642 7.830 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.941 -0.708 9.462 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.293 2.261 10.088 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.809 1.330 10.398 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.739 2.817 9.422 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.139 -0.246 5.039 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.808 0.255 3.877 1.00 0.21 C ATOM 1690 C VAL A 109 -4.265 0.464 4.162 1.00 0.22 C ATOM 1691 O VAL A 109 -4.878 -0.278 4.923 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.626 -0.698 2.678 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.866 -1.540 2.399 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.207 0.075 1.449 1.00 0.77 C ATOM 0 H VAL A 109 -2.553 -1.081 5.453 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.361 1.214 3.617 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.833 -1.397 2.943 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.679 -2.191 1.545 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.098 -2.147 3.274 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.709 -0.885 2.178 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.083 -0.612 0.612 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.972 0.811 1.204 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.263 0.584 1.644 1.00 0.77 H new ATOM 1704 N THR A 110 -4.811 1.483 3.578 1.00 0.22 N ATOM 1705 CA THR A 110 -6.231 1.636 3.607 1.00 0.25 C ATOM 1706 C THR A 110 -6.823 1.061 2.335 1.00 0.26 C ATOM 1707 O THR A 110 -6.554 1.533 1.226 1.00 0.30 O ATOM 1708 CB THR A 110 -6.626 3.092 3.760 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.555 3.826 4.365 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.849 3.190 4.627 1.00 0.33 C ATOM 0 H THR A 110 -4.303 2.214 3.081 1.00 0.22 H new ATOM 0 HA THR A 110 -6.621 1.097 4.470 1.00 0.25 H new ATOM 0 HB THR A 110 -6.838 3.511 2.776 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.819 3.918 3.725 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.134 4.236 4.738 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.668 2.638 4.165 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.634 2.767 5.608 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.601 0.011 2.525 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.145 -0.783 1.453 1.00 0.37 C ATOM 1720 C ARG A 111 -9.615 -0.442 1.229 1.00 0.42 C ATOM 1721 O ARG A 111 -10.371 -0.252 2.184 1.00 0.49 O ATOM 1722 CB ARG A 111 -7.964 -2.256 1.830 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.023 -3.187 1.280 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.922 -4.566 1.916 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.031 -5.437 1.515 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.819 -6.091 2.377 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -10.583 -6.030 3.680 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.836 -6.830 1.939 1.00 2.01 N ATOM 0 H ARG A 111 -7.875 -0.316 3.452 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.626 -0.575 0.517 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -6.988 -2.590 1.477 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.955 -2.340 2.917 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.012 -2.769 1.466 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -8.911 -3.272 0.199 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -7.977 -5.028 1.632 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.914 -4.465 3.001 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.213 -5.552 0.518 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -9.797 -5.482 4.031 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -11.187 -6.531 4.332 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.021 -6.902 0.938 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.431 -7.325 2.604 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.016 -0.360 -0.033 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.388 -0.008 -0.371 1.00 0.71 C ATOM 1744 C GLN A 112 -12.043 -1.040 -1.279 1.00 0.89 C ATOM 1745 O GLN A 112 -12.525 -2.069 -0.816 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.476 1.394 -0.992 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.255 1.809 -1.790 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.113 2.284 -0.904 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -7.884 2.026 -1.315 1.00 1.97 O flip ATOM 1750 NE2 GLN A 112 -9.338 2.861 0.156 1.00 0.66 N flip ATOM 0 H GLN A 112 -9.412 -0.532 -0.837 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.943 0.000 0.567 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.350 1.435 -1.642 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.637 2.120 -0.195 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -9.916 0.967 -2.394 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.530 2.606 -2.481 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -10.300 3.044 0.443 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -8.563 3.157 0.750 1.00 0.66 H new ATOM 1759 N SER A 113 -12.025 -0.785 -2.570 1.00 0.79 N ATOM 1760 CA SER A 113 -12.831 -1.559 -3.498 1.00 0.96 C ATOM 1761 C SER A 113 -11.985 -2.166 -4.613 1.00 0.89 C ATOM 1762 O SER A 113 -12.435 -2.312 -5.749 1.00 1.18 O ATOM 1763 CB SER A 113 -13.923 -0.655 -4.066 1.00 1.25 C ATOM 1764 OG SER A 113 -14.847 -1.385 -4.857 1.00 1.62 O ATOM 0 H SER A 113 -11.464 -0.051 -3.002 1.00 0.79 H new ATOM 0 HA SER A 113 -13.284 -2.395 -2.965 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.451 -0.164 -3.249 1.00 1.25 H new ATOM 0 HB3 SER A 113 -13.468 0.131 -4.669 1.00 1.25 H new ATOM 0 HG SER A 113 -14.364 -1.883 -5.549 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.772 -2.558 -4.274 1.00 0.90 N ATOM 1771 CA LEU A 114 -9.856 -3.128 -5.257 1.00 0.94 C ATOM 1772 C LEU A 114 -9.871 -4.649 -5.157 1.00 1.13 C ATOM 1773 O LEU A 114 -8.969 -5.333 -5.648 1.00 1.65 O ATOM 1774 CB LEU A 114 -8.431 -2.604 -5.041 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.286 -1.094 -4.808 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.188 -0.296 -5.744 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -8.558 -0.750 -3.348 1.00 1.23 C ATOM 0 H LEU A 114 -10.394 -2.495 -3.329 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.186 -2.828 -6.252 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.002 -3.124 -4.185 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -7.832 -2.874 -5.911 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.258 -0.814 -5.037 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.060 0.769 -5.552 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -8.922 -0.513 -6.778 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.228 -0.574 -5.571 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -8.451 0.325 -3.201 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.572 -1.053 -3.086 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -7.846 -1.276 -2.712 1.00 1.23 H new