USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=21 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 Set 1.1: A 76 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.26) USER MOD Set 1.2: A 112 GLN : amide:sc= -4.18! C(o=-2.9!,f=-8.1!) USER MOD Single : A 10 THR OG1 : rot 37:sc= 0.253 USER MOD Single : A 14 GLN :FLIP amide:sc= -4.2! C(o=-10!,f=-4.2!) USER MOD Single : A 19 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.24) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= -0.327 (180deg=-0.377) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.342 F(o=-1.5,f=-0.34) USER MOD Single : A 26 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.269 X(o=0.27,f=-0.13) 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 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.376 F(o=-1.6!,f=-0.38) USER MOD Single : A 78 MET CE :methyl 157:sc= -4.78! (180deg=-6.65!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0843 F(o=-1.4!,f=-0.084) USER MOD Single : A 81 ASN : amide:sc= -3.63! C(o=-3.6!,f=-5.5!) USER MOD Single : A 85 MET CE :methyl -163:sc= -7.81! (180deg=-8.34!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 90 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-4.1!) USER MOD Single : A 92 GLN : amide:sc= 0.891 K(o=0.89,f=-5.1!) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00351) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= 1.05 (180deg=-0.23) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 79:sc= 0.958 USER MOD Single : A 113 SER OG : rot -42:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.061 6.298 4.576 1.00 1.00 N ATOM 140 CA THR A 10 -14.731 5.353 5.611 1.00 1.07 C ATOM 141 C THR A 10 -14.327 4.039 4.981 1.00 0.92 C ATOM 142 O THR A 10 -15.111 3.100 4.847 1.00 0.99 O ATOM 143 CB THR A 10 -15.916 5.126 6.543 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.484 6.389 6.915 1.00 2.09 O ATOM 145 CG2 THR A 10 -15.499 4.348 7.784 1.00 1.90 C ATOM 0 HA THR A 10 -13.905 5.757 6.197 1.00 1.07 H new ATOM 0 HB THR A 10 -16.663 4.534 6.015 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.443 7.003 6.153 1.00 2.09 H new ATOM 0 HG21 THR A 10 -16.365 4.202 8.430 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.099 3.378 7.488 1.00 1.90 H new ATOM 0 HG23 THR A 10 -14.734 4.907 8.324 1.00 1.90 H new ATOM 153 N ALA A 11 -13.105 4.039 4.549 1.00 0.83 N ATOM 154 CA ALA A 11 -12.467 2.873 4.006 1.00 0.74 C ATOM 155 C ALA A 11 -11.965 1.985 5.123 1.00 0.77 C ATOM 156 O ALA A 11 -12.080 2.319 6.304 1.00 0.96 O ATOM 157 CB ALA A 11 -11.327 3.283 3.094 1.00 0.70 C ATOM 0 H ALA A 11 -12.507 4.865 4.563 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.194 2.310 3.420 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.849 2.392 2.687 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.715 3.892 2.278 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.597 3.860 3.661 1.00 0.70 H new ATOM 163 N VAL A 12 -11.387 0.874 4.746 1.00 0.65 N ATOM 164 CA VAL A 12 -10.958 -0.127 5.701 1.00 0.72 C ATOM 165 C VAL A 12 -9.441 -0.196 5.731 1.00 0.54 C ATOM 166 O VAL A 12 -8.808 -0.670 4.786 1.00 0.54 O ATOM 167 CB VAL A 12 -11.540 -1.514 5.352 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.075 -2.578 6.338 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.062 -1.460 5.294 1.00 1.38 C ATOM 0 H VAL A 12 -11.199 0.634 3.773 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.328 0.160 6.685 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.167 -1.792 4.366 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -11.503 -3.542 6.062 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -9.987 -2.645 6.315 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.401 -2.310 7.343 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.452 -2.447 5.047 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.452 -1.148 6.263 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.372 -0.746 4.531 1.00 1.38 H new ATOM 179 N VAL A 13 -8.857 0.296 6.805 1.00 0.52 N ATOM 180 CA VAL A 13 -7.411 0.315 6.924 1.00 0.44 C ATOM 181 C VAL A 13 -6.912 -1.072 7.279 1.00 0.41 C ATOM 182 O VAL A 13 -7.113 -1.557 8.391 1.00 0.50 O ATOM 183 CB VAL A 13 -6.923 1.322 7.979 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.403 1.355 8.022 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.485 2.709 7.703 1.00 1.02 C ATOM 0 H VAL A 13 -9.357 0.686 7.604 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.009 0.629 5.961 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.287 0.998 8.954 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.076 2.073 8.774 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.025 0.365 8.277 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.018 1.651 7.046 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.126 3.404 8.462 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.158 3.045 6.719 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.574 2.672 7.730 1.00 1.02 H new ATOM 195 N GLN A 14 -6.276 -1.705 6.318 1.00 0.37 N ATOM 196 CA GLN A 14 -5.859 -3.087 6.471 1.00 0.40 C ATOM 197 C GLN A 14 -4.343 -3.204 6.622 1.00 0.32 C ATOM 198 O GLN A 14 -3.597 -2.262 6.353 1.00 0.41 O ATOM 199 CB GLN A 14 -6.375 -3.920 5.296 1.00 0.51 C ATOM 200 CG GLN A 14 -5.728 -3.628 3.964 1.00 0.53 C ATOM 201 CD GLN A 14 -4.669 -4.646 3.620 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.442 -4.370 4.018 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.954 -5.671 3.009 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.035 -1.286 5.420 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.295 -3.480 7.390 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.229 -4.975 5.528 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.449 -3.760 5.202 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.490 -3.618 3.184 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.282 -2.634 3.987 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.918 -5.842 2.721 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.227 -6.352 2.789 1.00 0.55 H new ATOM 212 N ARG A 15 -3.890 -4.381 7.020 1.00 0.32 N ATOM 213 CA ARG A 15 -2.507 -4.596 7.362 1.00 0.39 C ATOM 214 C ARG A 15 -1.902 -5.703 6.503 1.00 0.33 C ATOM 215 O ARG A 15 -2.311 -6.859 6.589 1.00 0.55 O ATOM 216 CB ARG A 15 -2.430 -4.968 8.839 1.00 0.70 C ATOM 217 CG ARG A 15 -1.397 -4.188 9.616 1.00 0.75 C ATOM 218 CD ARG A 15 0.007 -4.530 9.165 1.00 1.44 C ATOM 219 NE ARG A 15 1.014 -4.074 10.120 1.00 2.26 N ATOM 220 CZ ARG A 15 2.009 -4.838 10.561 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.135 -6.081 10.115 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.868 -4.363 11.452 1.00 3.63 N ATOM 0 H ARG A 15 -4.476 -5.210 7.113 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.937 -3.686 7.175 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.408 -4.810 9.294 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.207 -6.032 8.924 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.572 -3.120 9.487 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.501 -4.402 10.680 1.00 0.75 H new ATOM 0 HD2 ARG A 15 0.093 -5.609 9.034 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.197 -4.075 8.193 1.00 1.44 H new ATOM 0 HE ARG A 15 0.950 -3.117 10.468 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.469 -6.449 9.435 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.897 -6.669 10.452 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.766 -3.410 11.801 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.631 -4.951 11.789 1.00 3.63 H new ATOM 236 N VAL A 16 -0.942 -5.333 5.668 1.00 0.25 N ATOM 237 CA VAL A 16 -0.227 -6.287 4.841 1.00 0.30 C ATOM 238 C VAL A 16 1.110 -6.617 5.497 1.00 0.26 C ATOM 239 O VAL A 16 1.815 -5.724 5.959 1.00 0.40 O ATOM 240 CB VAL A 16 0.007 -5.724 3.408 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.162 -6.417 2.703 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.248 -5.863 2.563 1.00 0.64 C ATOM 0 H VAL A 16 -0.640 -4.366 5.547 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.829 -7.191 4.751 1.00 0.30 H new ATOM 0 HB VAL A 16 0.258 -4.670 3.524 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.288 -5.992 1.707 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.077 -6.274 3.277 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.950 -7.483 2.618 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.062 -5.463 1.566 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.521 -6.916 2.487 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.063 -5.310 3.029 1.00 0.64 H new ATOM 252 N GLU A 17 1.434 -7.890 5.585 1.00 0.22 N ATOM 253 CA GLU A 17 2.706 -8.310 6.147 1.00 0.25 C ATOM 254 C GLU A 17 3.220 -9.536 5.417 1.00 0.24 C ATOM 255 O GLU A 17 2.581 -10.587 5.430 1.00 0.28 O ATOM 256 CB GLU A 17 2.569 -8.587 7.647 1.00 0.33 C ATOM 257 CG GLU A 17 3.836 -9.122 8.294 1.00 0.44 C ATOM 258 CD GLU A 17 3.819 -8.974 9.801 1.00 0.75 C ATOM 259 OE1 GLU A 17 4.113 -7.874 10.302 1.00 1.31 O ATOM 260 OE2 GLU A 17 3.509 -9.966 10.497 1.00 1.35 O ATOM 0 H GLU A 17 0.835 -8.655 5.275 1.00 0.22 H new ATOM 0 HA GLU A 17 3.428 -7.503 6.019 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.277 -7.666 8.151 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.763 -9.305 7.802 1.00 0.33 H new ATOM 0 HG2 GLU A 17 3.957 -10.174 8.036 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.699 -8.594 7.889 1.00 0.44 H new ATOM 267 N ILE A 18 4.365 -9.404 4.763 1.00 0.24 N ATOM 268 CA ILE A 18 4.930 -10.512 4.040 1.00 0.24 C ATOM 269 C ILE A 18 6.436 -10.445 4.148 1.00 0.27 C ATOM 270 O ILE A 18 6.999 -9.361 4.260 1.00 0.33 O ATOM 271 CB ILE A 18 4.489 -10.517 2.556 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.796 -11.872 1.925 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.144 -9.387 1.768 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.979 -12.995 2.519 1.00 0.61 C ATOM 0 H ILE A 18 4.911 -8.543 4.724 1.00 0.24 H new ATOM 0 HA ILE A 18 4.565 -11.440 4.480 1.00 0.24 H new ATOM 0 HB ILE A 18 3.413 -10.348 2.523 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.607 -11.819 0.853 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.856 -12.094 2.051 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.809 -9.425 0.731 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.864 -8.429 2.205 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.228 -9.499 1.804 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.241 -13.933 2.030 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.187 -13.071 3.586 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.919 -12.792 2.370 1.00 0.61 H new ATOM 286 N HIS A 19 7.098 -11.580 4.150 1.00 0.30 N ATOM 287 CA HIS A 19 8.537 -11.576 4.258 1.00 0.33 C ATOM 288 C HIS A 19 9.148 -11.177 2.929 1.00 0.35 C ATOM 289 O HIS A 19 8.931 -11.846 1.917 1.00 0.40 O ATOM 290 CB HIS A 19 9.056 -12.932 4.729 1.00 0.39 C ATOM 291 CG HIS A 19 8.788 -13.191 6.184 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.773 -13.518 7.095 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.629 -13.167 6.884 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.229 -13.686 8.286 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.933 -13.478 8.184 1.00 0.56 N ATOM 0 H HIS A 19 6.670 -12.503 4.079 1.00 0.30 H new ATOM 0 HA HIS A 19 8.834 -10.843 5.008 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.592 -13.719 4.134 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.129 -12.987 4.548 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.648 -12.944 6.491 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.757 -13.949 9.190 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.262 -13.539 8.950 1.00 0.56 H new ATOM 304 N LYS A 20 9.834 -10.031 2.959 1.00 0.34 N ATOM 305 CA LYS A 20 10.564 -9.474 1.809 1.00 0.36 C ATOM 306 C LYS A 20 11.098 -10.573 0.875 1.00 0.36 C ATOM 307 O LYS A 20 11.643 -11.581 1.333 1.00 0.42 O ATOM 308 CB LYS A 20 11.709 -8.571 2.327 1.00 0.40 C ATOM 309 CG LYS A 20 12.782 -9.281 3.146 1.00 1.42 C ATOM 310 CD LYS A 20 13.881 -9.867 2.270 1.00 2.33 C ATOM 311 CE LYS A 20 14.992 -10.495 3.094 1.00 3.13 C ATOM 312 NZ LYS A 20 14.504 -11.592 3.974 1.00 4.00 N ATOM 0 H LYS A 20 9.901 -9.452 3.796 1.00 0.34 H new ATOM 0 HA LYS A 20 9.872 -8.878 1.214 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.186 -8.092 1.472 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.276 -7.778 2.937 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.220 -8.578 3.854 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.322 -10.078 3.731 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.453 -10.618 1.606 1.00 2.33 H new ATOM 0 HD3 LYS A 20 14.298 -9.083 1.638 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.759 -10.885 2.425 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.464 -9.726 3.706 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 15.288 -11.940 4.563 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.744 -11.234 4.586 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 14.139 -12.370 3.389 1.00 4.00 H new ATOM 326 N LEU A 21 10.955 -10.385 -0.434 1.00 0.33 N ATOM 327 CA LEU A 21 11.274 -11.466 -1.364 1.00 0.37 C ATOM 328 C LEU A 21 12.663 -11.283 -1.945 1.00 0.41 C ATOM 329 O LEU A 21 12.834 -10.647 -2.974 1.00 0.45 O ATOM 330 CB LEU A 21 10.226 -11.539 -2.480 1.00 0.38 C ATOM 331 CG LEU A 21 10.379 -12.712 -3.454 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.214 -14.038 -2.725 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.365 -12.597 -4.581 1.00 0.48 C ATOM 0 H LEU A 21 10.630 -9.520 -0.867 1.00 0.33 H new ATOM 0 HA LEU A 21 11.258 -12.407 -0.814 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.238 -11.595 -2.023 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.262 -10.610 -3.049 1.00 0.38 H new ATOM 0 HG LEU A 21 11.381 -12.678 -3.881 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.326 -14.859 -3.433 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.974 -14.123 -1.948 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.224 -14.083 -2.271 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.485 -13.437 -5.266 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.357 -12.608 -4.166 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.525 -11.663 -5.120 1.00 0.48 H new ATOM 345 N ARG A 22 13.660 -11.837 -1.275 1.00 0.51 N ATOM 346 CA ARG A 22 15.041 -11.593 -1.653 1.00 0.61 C ATOM 347 C ARG A 22 15.390 -12.234 -2.989 1.00 0.60 C ATOM 348 O ARG A 22 14.966 -13.348 -3.288 1.00 0.66 O ATOM 349 CB ARG A 22 16.000 -12.095 -0.574 1.00 0.88 C ATOM 350 CG ARG A 22 16.087 -13.610 -0.477 1.00 1.19 C ATOM 351 CD ARG A 22 17.307 -14.034 0.318 1.00 1.94 C ATOM 352 NE ARG A 22 17.481 -15.485 0.332 1.00 2.47 N ATOM 353 CZ ARG A 22 18.609 -16.101 0.677 1.00 3.28 C ATOM 354 NH1 ARG A 22 19.713 -15.401 0.921 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.649 -17.425 0.719 1.00 3.97 N ATOM 0 H ARG A 22 13.540 -12.455 -0.472 1.00 0.51 H new ATOM 0 HA ARG A 22 15.152 -10.514 -1.757 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.995 -11.697 -0.773 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.685 -11.697 0.391 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.186 -14.000 -0.003 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.133 -14.040 -1.477 1.00 1.19 H new ATOM 0 HD2 ARG A 22 18.196 -13.568 -0.107 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.215 -13.671 1.342 1.00 1.94 H new ATOM 0 HE ARG A 22 16.686 -16.063 0.060 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.699 -14.384 0.844 1.00 3.78 H new ATOM 0 HH12 ARG A 22 20.573 -15.881 1.185 1.00 3.78 H new ATOM 0 HH21 ARG A 22 17.817 -17.968 0.487 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.512 -17.901 0.983 1.00 3.97 H new ATOM 369 N GLN A 23 16.148 -11.506 -3.793 1.00 0.68 N ATOM 370 CA GLN A 23 16.658 -12.020 -5.039 1.00 0.81 C ATOM 371 C GLN A 23 18.151 -11.769 -5.109 1.00 0.93 C ATOM 372 O GLN A 23 18.582 -10.696 -5.523 1.00 1.02 O ATOM 373 CB GLN A 23 15.976 -11.324 -6.209 1.00 0.90 C ATOM 374 CG GLN A 23 15.726 -12.250 -7.377 1.00 1.04 C ATOM 375 CD GLN A 23 14.792 -13.393 -7.021 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.878 -13.140 -6.099 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.889 -14.488 -7.573 1.00 0.69 N flip ATOM 0 H GLN A 23 16.423 -10.544 -3.594 1.00 0.68 H new ATOM 0 HA GLN A 23 16.458 -13.090 -5.094 1.00 0.81 H new ATOM 0 HB2 GLN A 23 15.027 -10.905 -5.874 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.594 -10.489 -6.539 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.300 -11.681 -8.204 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.676 -12.656 -7.725 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.609 -14.641 -8.279 1.00 0.69 H new ATOM 0 HE22 GLN A 23 14.250 -15.243 -7.324 1.00 0.69 H new ATOM 386 N GLY A 24 18.936 -12.751 -4.697 1.00 1.03 N ATOM 387 CA GLY A 24 20.375 -12.598 -4.692 1.00 1.19 C ATOM 388 C GLY A 24 20.851 -11.540 -3.718 1.00 1.23 C ATOM 389 O GLY A 24 21.257 -11.850 -2.598 1.00 1.33 O ATOM 0 H GLY A 24 18.601 -13.655 -4.365 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.836 -13.552 -4.438 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.711 -12.339 -5.696 1.00 1.19 H new ATOM 393 N GLU A 25 20.761 -10.284 -4.133 1.00 1.27 N ATOM 394 CA GLU A 25 21.310 -9.177 -3.358 1.00 1.43 C ATOM 395 C GLU A 25 20.269 -8.090 -3.112 1.00 1.40 C ATOM 396 O GLU A 25 20.564 -7.058 -2.507 1.00 1.61 O ATOM 397 CB GLU A 25 22.518 -8.592 -4.080 1.00 1.67 C ATOM 398 CG GLU A 25 23.598 -9.615 -4.356 1.00 1.84 C ATOM 399 CD GLU A 25 24.706 -9.060 -5.222 1.00 2.03 C ATOM 400 OE1 GLU A 25 25.614 -8.395 -4.677 1.00 2.33 O ATOM 401 OE2 GLU A 25 24.672 -9.282 -6.450 1.00 2.21 O ATOM 0 H GLU A 25 20.312 -10.004 -5.005 1.00 1.27 H new ATOM 0 HA GLU A 25 21.617 -9.566 -2.387 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.192 -8.153 -5.023 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.936 -7.784 -3.480 1.00 1.67 H new ATOM 0 HG2 GLU A 25 24.017 -9.961 -3.411 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.157 -10.483 -4.846 1.00 1.84 H new ATOM 408 N ASN A 26 19.056 -8.333 -3.572 1.00 1.21 N ATOM 409 CA ASN A 26 17.969 -7.368 -3.424 1.00 1.23 C ATOM 410 C ASN A 26 16.766 -8.022 -2.776 1.00 1.05 C ATOM 411 O ASN A 26 16.770 -9.223 -2.534 1.00 1.06 O ATOM 412 CB ASN A 26 17.576 -6.770 -4.782 1.00 1.31 C ATOM 413 CG ASN A 26 17.533 -7.798 -5.890 1.00 1.39 C ATOM 414 OD1 ASN A 26 16.484 -8.356 -6.200 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.685 -8.049 -6.493 1.00 1.33 N ATOM 0 H ASN A 26 18.792 -9.192 -4.054 1.00 1.21 H new ATOM 0 HA ASN A 26 18.321 -6.560 -2.782 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.598 -6.297 -4.695 1.00 1.31 H new ATOM 0 HB3 ASN A 26 18.287 -5.987 -5.047 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.726 -8.731 -7.250 1.00 1.33 H new ATOM 0 HD22 ASN A 26 19.531 -7.560 -6.200 1.00 1.33 H new ATOM 422 N LEU A 27 15.752 -7.228 -2.480 1.00 0.95 N ATOM 423 CA LEU A 27 14.514 -7.750 -1.947 1.00 0.82 C ATOM 424 C LEU A 27 13.382 -7.227 -2.809 1.00 0.71 C ATOM 425 O LEU A 27 13.357 -6.052 -3.175 1.00 0.81 O ATOM 426 CB LEU A 27 14.321 -7.380 -0.463 1.00 0.93 C ATOM 427 CG LEU A 27 13.792 -5.972 -0.165 1.00 1.28 C ATOM 428 CD1 LEU A 27 13.533 -5.815 1.319 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.766 -4.899 -0.629 1.00 1.62 C ATOM 0 H LEU A 27 15.766 -6.215 -2.602 1.00 0.95 H new ATOM 0 HA LEU A 27 14.532 -8.839 -1.976 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.635 -8.102 -0.019 1.00 0.93 H new ATOM 0 HB3 LEU A 27 15.279 -7.497 0.044 1.00 0.93 H new ATOM 0 HG LEU A 27 12.860 -5.847 -0.715 1.00 1.28 H new ATOM 0 HD11 LEU A 27 13.158 -4.811 1.519 1.00 2.28 H new ATOM 0 HD12 LEU A 27 12.794 -6.549 1.639 1.00 2.28 H new ATOM 0 HD13 LEU A 27 14.461 -5.971 1.869 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.358 -3.914 -0.401 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.718 -5.025 -0.114 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.920 -4.988 -1.704 1.00 1.62 H new ATOM 441 N ILE A 28 12.477 -8.101 -3.168 1.00 0.57 N ATOM 442 CA ILE A 28 11.461 -7.766 -4.129 1.00 0.52 C ATOM 443 C ILE A 28 10.147 -7.399 -3.453 1.00 0.44 C ATOM 444 O ILE A 28 9.716 -8.053 -2.493 1.00 0.43 O ATOM 445 CB ILE A 28 11.235 -8.924 -5.134 1.00 0.53 C ATOM 446 CG1 ILE A 28 12.507 -9.173 -5.962 1.00 0.75 C ATOM 447 CG2 ILE A 28 10.037 -8.648 -6.031 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.090 -7.927 -6.603 1.00 0.80 C ATOM 0 H ILE A 28 12.424 -9.053 -2.807 1.00 0.57 H new ATOM 0 HA ILE A 28 11.818 -6.894 -4.676 1.00 0.52 H new ATOM 0 HB ILE A 28 11.016 -9.829 -4.568 1.00 0.53 H new ATOM 0 HG12 ILE A 28 13.263 -9.624 -5.319 1.00 0.75 H new ATOM 0 HG13 ILE A 28 12.281 -9.898 -6.744 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.903 -9.478 -6.725 1.00 0.47 H new ATOM 0 HG22 ILE A 28 9.142 -8.539 -5.419 1.00 0.47 H new ATOM 0 HG23 ILE A 28 10.207 -7.729 -6.592 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.984 -8.192 -7.167 1.00 0.80 H new ATOM 0 HD12 ILE A 28 12.354 -7.485 -7.275 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.351 -7.207 -5.827 1.00 0.80 H new ATOM 460 N LEU A 29 9.548 -6.331 -3.965 1.00 0.51 N ATOM 461 CA LEU A 29 8.230 -5.892 -3.575 1.00 0.55 C ATOM 462 C LEU A 29 7.279 -6.227 -4.714 1.00 0.73 C ATOM 463 O LEU A 29 7.425 -5.719 -5.826 1.00 1.74 O ATOM 464 CB LEU A 29 8.211 -4.379 -3.277 1.00 0.71 C ATOM 465 CG LEU A 29 8.773 -3.472 -4.381 1.00 0.74 C ATOM 466 CD1 LEU A 29 8.096 -2.113 -4.343 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.282 -3.306 -4.228 1.00 1.33 C ATOM 0 H LEU A 29 9.980 -5.740 -4.676 1.00 0.51 H new ATOM 0 HA LEU A 29 7.924 -6.398 -2.659 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.182 -4.080 -3.077 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.778 -4.201 -2.363 1.00 0.71 H new ATOM 0 HG LEU A 29 8.571 -3.943 -5.343 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.505 -1.481 -5.131 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.024 -2.236 -4.496 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.273 -1.645 -3.374 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.659 -2.660 -5.021 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.502 -2.858 -3.259 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.764 -4.281 -4.295 1.00 1.33 H new ATOM 479 N GLY A 30 6.327 -7.102 -4.450 1.00 0.40 N ATOM 480 CA GLY A 30 5.483 -7.604 -5.514 1.00 0.32 C ATOM 481 C GLY A 30 4.285 -6.723 -5.792 1.00 0.35 C ATOM 482 O GLY A 30 3.159 -7.195 -5.786 1.00 0.69 O ATOM 0 H GLY A 30 6.122 -7.474 -3.523 1.00 0.40 H new ATOM 0 HA2 GLY A 30 6.075 -7.699 -6.424 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.137 -8.604 -5.253 1.00 0.32 H new ATOM 486 N PHE A 31 4.532 -5.442 -5.995 1.00 0.29 N ATOM 487 CA PHE A 31 3.498 -4.487 -6.355 1.00 0.28 C ATOM 488 C PHE A 31 4.132 -3.276 -7.021 1.00 0.31 C ATOM 489 O PHE A 31 5.360 -3.152 -7.024 1.00 0.42 O ATOM 490 CB PHE A 31 2.708 -4.064 -5.116 1.00 0.28 C ATOM 491 CG PHE A 31 3.560 -3.601 -3.958 1.00 0.32 C ATOM 492 CD1 PHE A 31 4.036 -2.299 -3.897 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.861 -4.465 -2.919 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.794 -1.874 -2.824 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.621 -4.046 -1.848 1.00 0.42 C ATOM 496 CZ PHE A 31 5.083 -2.748 -1.799 1.00 0.51 C ATOM 0 H PHE A 31 5.462 -5.031 -5.914 1.00 0.29 H new ATOM 0 HA PHE A 31 2.807 -4.956 -7.055 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.026 -3.260 -5.393 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.095 -4.903 -4.787 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.811 -1.610 -4.698 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.495 -5.481 -2.948 1.00 0.33 H new ATOM 0 HE1 PHE A 31 5.160 -0.858 -2.788 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.854 -4.734 -1.048 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.672 -2.416 -0.957 1.00 0.51 H new ATOM 506 N SER A 32 3.327 -2.379 -7.589 1.00 0.25 N ATOM 507 CA SER A 32 3.871 -1.129 -8.039 1.00 0.23 C ATOM 508 C SER A 32 3.340 -0.037 -7.137 1.00 0.23 C ATOM 509 O SER A 32 2.438 -0.287 -6.347 1.00 0.29 O ATOM 510 CB SER A 32 3.536 -0.891 -9.495 1.00 0.25 C ATOM 511 OG SER A 32 4.532 -0.122 -10.146 1.00 0.53 O ATOM 0 H SER A 32 2.326 -2.501 -7.739 1.00 0.25 H new ATOM 0 HA SER A 32 4.959 -1.139 -7.979 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.426 -1.849 -10.004 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.576 -0.379 -9.568 1.00 0.25 H new ATOM 0 HG SER A 32 4.282 0.010 -11.084 1.00 0.53 H new ATOM 517 N ILE A 33 3.879 1.161 -7.223 1.00 0.23 N ATOM 518 CA ILE A 33 3.655 2.121 -6.157 1.00 0.25 C ATOM 519 C ILE A 33 3.897 3.566 -6.575 1.00 0.25 C ATOM 520 O ILE A 33 4.869 3.873 -7.262 1.00 0.32 O ATOM 521 CB ILE A 33 4.595 1.778 -4.976 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.661 2.927 -3.962 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.983 1.444 -5.506 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.790 2.792 -2.961 1.00 0.37 C ATOM 0 H ILE A 33 4.459 1.489 -7.995 1.00 0.23 H new ATOM 0 HA ILE A 33 2.604 2.046 -5.877 1.00 0.25 H new ATOM 0 HB ILE A 33 4.193 0.909 -4.455 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.775 3.868 -4.500 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.715 2.980 -3.424 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.643 1.203 -4.672 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.920 0.588 -6.178 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.382 2.302 -6.048 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.773 3.640 -2.277 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.667 1.868 -2.396 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.743 2.770 -3.489 1.00 0.37 H new ATOM 536 N GLY A 34 2.987 4.444 -6.170 1.00 0.26 N ATOM 537 CA GLY A 34 3.328 5.837 -6.034 1.00 0.43 C ATOM 538 C GLY A 34 2.545 6.467 -4.912 1.00 0.30 C ATOM 539 O GLY A 34 1.322 6.456 -4.896 1.00 0.72 O ATOM 0 H GLY A 34 2.022 4.211 -5.935 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.396 5.938 -5.841 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.122 6.360 -6.968 1.00 0.43 H new ATOM 543 N GLY A 35 3.257 6.922 -3.924 1.00 0.77 N ATOM 544 CA GLY A 35 2.661 7.705 -2.873 1.00 0.93 C ATOM 545 C GLY A 35 3.577 8.789 -2.426 1.00 0.73 C ATOM 546 O GLY A 35 4.666 8.479 -1.974 1.00 1.42 O ATOM 0 H GLY A 35 4.259 6.765 -3.820 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.725 8.138 -3.225 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.417 7.060 -2.029 1.00 0.93 H new ATOM 550 N GLY A 36 3.221 10.030 -2.563 1.00 0.40 N ATOM 551 CA GLY A 36 4.116 11.031 -2.051 1.00 0.39 C ATOM 552 C GLY A 36 3.495 12.400 -1.986 1.00 0.35 C ATOM 553 O GLY A 36 2.798 12.803 -2.913 1.00 0.48 O ATOM 0 H GLY A 36 2.363 10.367 -3.001 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.445 10.740 -1.053 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.005 11.071 -2.680 1.00 0.39 H new ATOM 557 N ILE A 37 3.740 13.120 -0.909 1.00 0.37 N ATOM 558 CA ILE A 37 3.748 14.569 -0.984 1.00 0.41 C ATOM 559 C ILE A 37 4.829 14.964 -1.967 1.00 0.38 C ATOM 560 O ILE A 37 4.799 16.028 -2.575 1.00 0.46 O ATOM 561 CB ILE A 37 4.057 15.199 0.371 1.00 0.43 C ATOM 562 CG1 ILE A 37 4.846 14.205 1.214 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.771 15.609 1.072 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.612 14.848 2.352 1.00 0.49 C ATOM 0 H ILE A 37 3.933 12.734 0.015 1.00 0.37 H new ATOM 0 HA ILE A 37 2.765 14.920 -1.297 1.00 0.41 H new ATOM 0 HB ILE A 37 4.656 16.098 0.228 1.00 0.43 H new ATOM 0 HG12 ILE A 37 4.160 13.463 1.623 1.00 0.47 H new ATOM 0 HG13 ILE A 37 5.546 13.672 0.571 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.009 16.057 2.037 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.237 16.334 0.458 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.144 14.731 1.224 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.150 14.080 2.908 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.323 15.570 1.950 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.915 15.357 3.018 1.00 0.49 H new ATOM 576 N ASP A 38 5.796 14.056 -2.087 1.00 0.35 N ATOM 577 CA ASP A 38 6.811 14.118 -3.118 1.00 0.40 C ATOM 578 C ASP A 38 6.161 14.206 -4.489 1.00 0.56 C ATOM 579 O ASP A 38 6.614 14.948 -5.358 1.00 0.69 O ATOM 580 CB ASP A 38 7.684 12.868 -3.079 1.00 0.39 C ATOM 581 CG ASP A 38 8.481 12.643 -4.347 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.499 13.339 -4.524 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.075 11.798 -5.176 1.00 0.72 O ATOM 0 H ASP A 38 5.891 13.254 -1.464 1.00 0.35 H new ATOM 0 HA ASP A 38 7.422 15.002 -2.937 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.372 12.942 -2.236 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.051 11.999 -2.899 1.00 0.39 H new ATOM 588 N GLN A 39 5.079 13.438 -4.661 1.00 0.63 N ATOM 589 CA GLN A 39 4.433 13.310 -5.966 1.00 0.85 C ATOM 590 C GLN A 39 3.889 14.661 -6.429 1.00 0.93 C ATOM 591 O GLN A 39 4.261 15.147 -7.501 1.00 1.19 O ATOM 592 CB GLN A 39 3.334 12.242 -5.913 1.00 0.98 C ATOM 593 CG GLN A 39 3.871 10.844 -5.640 1.00 1.00 C ATOM 594 CD GLN A 39 4.766 10.330 -6.752 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.299 9.683 -7.686 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.055 10.620 -6.670 1.00 0.82 N ATOM 0 H GLN A 39 4.637 12.900 -3.916 1.00 0.63 H new ATOM 0 HA GLN A 39 5.173 12.987 -6.698 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.616 12.507 -5.137 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.793 12.238 -6.860 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.430 10.851 -4.704 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.034 10.158 -5.507 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.407 11.160 -5.879 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.696 10.304 -7.398 1.00 0.82 H new ATOM 815 N GLY A 54 -0.994 10.926 -0.087 1.00 0.78 N ATOM 816 CA GLY A 54 -0.508 9.888 0.790 1.00 0.65 C ATOM 817 C GLY A 54 0.401 8.945 0.032 1.00 0.53 C ATOM 818 O GLY A 54 0.968 9.333 -0.996 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.033 10.332 1.626 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.348 9.335 1.211 1.00 0.65 H new ATOM 822 N ILE A 55 0.564 7.713 0.500 1.00 0.48 N ATOM 823 CA ILE A 55 1.280 6.745 -0.303 1.00 0.40 C ATOM 824 C ILE A 55 0.286 5.688 -0.751 1.00 0.33 C ATOM 825 O ILE A 55 -0.642 5.410 -0.023 1.00 0.43 O ATOM 826 CB ILE A 55 2.500 6.143 0.451 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.695 7.112 0.418 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.927 4.821 -0.165 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.492 8.453 1.095 1.00 0.54 C ATOM 0 H ILE A 55 0.222 7.374 1.399 1.00 0.48 H new ATOM 0 HA ILE A 55 1.709 7.232 -1.179 1.00 0.40 H new ATOM 0 HB ILE A 55 2.191 5.977 1.483 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.548 6.619 0.884 1.00 0.51 H new ATOM 0 HG13 ILE A 55 3.961 7.292 -0.624 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.782 4.424 0.383 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.101 4.112 -0.113 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.205 4.978 -1.207 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.402 9.047 1.006 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.666 8.980 0.618 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.262 8.297 2.149 1.00 0.54 H new ATOM 841 N TYR A 56 0.394 5.169 -1.978 1.00 0.25 N ATOM 842 CA TYR A 56 -0.575 4.197 -2.444 1.00 0.23 C ATOM 843 C TYR A 56 0.023 3.265 -3.471 1.00 0.18 C ATOM 844 O TYR A 56 0.849 3.647 -4.304 1.00 0.28 O ATOM 845 CB TYR A 56 -1.862 4.851 -2.990 1.00 0.36 C ATOM 846 CG TYR A 56 -1.664 6.217 -3.598 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.404 7.326 -2.813 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.754 6.381 -4.963 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.237 8.576 -3.384 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.599 7.621 -5.548 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.262 8.742 -4.678 1.00 1.01 C ATOM 852 OH TYR A 56 -1.187 9.965 -5.330 1.00 1.42 O ATOM 0 H TYR A 56 1.128 5.404 -2.646 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.858 3.611 -1.570 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.297 4.193 -3.742 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.586 4.930 -2.179 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.330 7.215 -1.741 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.950 5.522 -5.588 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.083 9.432 -2.744 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -1.723 7.757 -6.612 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.225 9.822 -6.299 1.00 1.42 H new ATOM 862 N VAL A 57 -0.388 2.026 -3.367 1.00 0.18 N ATOM 863 CA VAL A 57 0.086 0.983 -4.222 1.00 0.17 C ATOM 864 C VAL A 57 -0.640 1.046 -5.549 1.00 0.16 C ATOM 865 O VAL A 57 -1.851 1.278 -5.593 1.00 0.22 O ATOM 866 CB VAL A 57 -0.104 -0.393 -3.544 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.492 -0.965 -3.723 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.925 -1.381 -4.014 1.00 0.58 C ATOM 0 H VAL A 57 -1.070 1.716 -2.675 1.00 0.18 H new ATOM 0 HA VAL A 57 1.152 1.119 -4.405 1.00 0.17 H new ATOM 0 HB VAL A 57 0.031 -0.214 -2.477 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.555 -1.931 -3.222 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.225 -0.284 -3.291 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.698 -1.093 -4.786 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.763 -2.338 -3.518 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.838 -1.512 -5.093 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.922 -1.011 -3.773 1.00 0.58 H new ATOM 878 N THR A 58 0.120 0.901 -6.614 1.00 0.17 N ATOM 879 CA THR A 58 -0.427 0.849 -7.944 1.00 0.24 C ATOM 880 C THR A 58 0.040 -0.424 -8.632 1.00 0.38 C ATOM 881 O THR A 58 0.895 -0.384 -9.493 1.00 1.11 O ATOM 882 CB THR A 58 -0.025 2.072 -8.785 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.255 3.276 -8.037 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.831 2.111 -10.078 1.00 0.69 C ATOM 0 H THR A 58 1.136 0.816 -6.577 1.00 0.17 H new ATOM 0 HA THR A 58 -1.514 0.856 -7.858 1.00 0.24 H new ATOM 0 HB THR A 58 1.034 1.995 -9.030 1.00 0.39 H new ATOM 0 HG1 THR A 58 0.005 4.051 -8.577 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.537 2.982 -10.664 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.640 1.205 -10.653 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.893 2.174 -9.843 1.00 0.69 H new ATOM 892 N ARG A 59 -0.400 -1.537 -8.073 1.00 0.31 N ATOM 893 CA ARG A 59 -0.385 -2.867 -8.681 1.00 0.26 C ATOM 894 C ARG A 59 -0.201 -3.924 -7.615 1.00 0.26 C ATOM 895 O ARG A 59 -0.373 -3.661 -6.419 1.00 0.27 O ATOM 896 CB ARG A 59 0.712 -3.069 -9.729 1.00 0.26 C ATOM 897 CG ARG A 59 0.298 -2.650 -11.122 1.00 0.34 C ATOM 898 CD ARG A 59 1.244 -3.203 -12.175 1.00 0.45 C ATOM 899 NE ARG A 59 0.897 -2.744 -13.516 1.00 1.06 N ATOM 900 CZ ARG A 59 1.697 -2.871 -14.574 1.00 1.50 C ATOM 901 NH1 ARG A 59 2.873 -3.473 -14.450 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.320 -2.392 -15.751 1.00 2.27 N ATOM 0 H ARG A 59 -0.799 -1.544 -7.134 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.346 -2.958 -9.187 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.594 -2.501 -9.434 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.000 -4.120 -9.745 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.715 -2.999 -11.322 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.278 -1.562 -11.185 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.264 -2.900 -11.941 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.221 -4.292 -12.147 1.00 0.45 H new ATOM 0 HE ARG A 59 -0.011 -2.300 -13.651 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.165 -3.839 -13.544 1.00 1.52 H new ATOM 0 HH12 ARG A 59 3.484 -3.570 -15.261 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.418 -1.926 -15.847 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.932 -2.489 -16.561 1.00 2.27 H new ATOM 916 N VAL A 60 0.063 -5.122 -8.117 1.00 0.26 N ATOM 917 CA VAL A 60 0.602 -6.259 -7.377 1.00 0.27 C ATOM 918 C VAL A 60 1.104 -7.247 -8.419 1.00 0.36 C ATOM 919 O VAL A 60 0.453 -7.428 -9.449 1.00 0.51 O ATOM 920 CB VAL A 60 -0.402 -7.023 -6.464 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.324 -8.159 -5.767 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.059 -6.138 -5.422 1.00 0.75 C ATOM 0 H VAL A 60 -0.100 -5.340 -9.100 1.00 0.26 H new ATOM 0 HA VAL A 60 1.361 -5.858 -6.705 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.197 -7.398 -7.109 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.374 -8.698 -5.126 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.733 -8.841 -6.512 1.00 0.83 H new ATOM 0 HG13 VAL A 60 1.135 -7.755 -5.161 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.746 -6.733 -4.820 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.294 -5.705 -4.778 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.610 -5.339 -5.918 1.00 0.75 H new ATOM 932 N SER A 61 2.258 -7.843 -8.199 1.00 0.45 N ATOM 933 CA SER A 61 2.715 -8.884 -9.088 1.00 0.56 C ATOM 934 C SER A 61 1.927 -10.144 -8.813 1.00 0.56 C ATOM 935 O SER A 61 1.901 -10.636 -7.686 1.00 0.64 O ATOM 936 CB SER A 61 4.200 -9.161 -8.913 1.00 0.72 C ATOM 937 OG SER A 61 4.941 -7.953 -8.824 1.00 1.65 O ATOM 0 H SER A 61 2.886 -7.627 -7.425 1.00 0.45 H new ATOM 0 HA SER A 61 2.559 -8.553 -10.115 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.358 -9.755 -8.013 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.564 -9.753 -9.753 1.00 0.72 H new ATOM 0 HG SER A 61 5.892 -8.160 -8.710 1.00 1.65 H new ATOM 943 N GLU A 62 1.264 -10.625 -9.842 1.00 0.68 N ATOM 944 CA GLU A 62 0.500 -11.856 -9.785 1.00 0.73 C ATOM 945 C GLU A 62 1.312 -13.001 -9.206 1.00 0.74 C ATOM 946 O GLU A 62 2.248 -13.503 -9.839 1.00 0.84 O ATOM 947 CB GLU A 62 0.053 -12.194 -11.188 1.00 0.86 C ATOM 948 CG GLU A 62 -1.137 -11.375 -11.647 1.00 1.45 C ATOM 949 CD GLU A 62 -1.280 -11.341 -13.153 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.552 -12.402 -13.753 1.00 1.75 O ATOM 951 OE2 GLU A 62 -1.140 -10.246 -13.745 1.00 1.85 O ATOM 0 H GLU A 62 1.239 -10.168 -10.754 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.358 -11.712 -9.128 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.883 -12.034 -11.876 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.202 -13.253 -11.237 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.046 -11.787 -11.210 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.037 -10.356 -11.273 1.00 1.45 H new ATOM 958 N GLY A 63 0.957 -13.397 -7.999 1.00 0.76 N ATOM 959 CA GLY A 63 1.622 -14.507 -7.362 1.00 0.86 C ATOM 960 C GLY A 63 2.751 -14.063 -6.456 1.00 0.80 C ATOM 961 O GLY A 63 3.354 -14.877 -5.756 1.00 0.92 O ATOM 0 H GLY A 63 0.216 -12.967 -7.446 1.00 0.76 H new ATOM 0 HA2 GLY A 63 0.896 -15.076 -6.781 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.016 -15.178 -8.126 1.00 0.86 H new ATOM 965 N GLY A 64 3.046 -12.770 -6.471 1.00 0.67 N ATOM 966 CA GLY A 64 4.098 -12.246 -5.640 1.00 0.66 C ATOM 967 C GLY A 64 3.651 -12.041 -4.223 1.00 0.63 C ATOM 968 O GLY A 64 2.471 -12.145 -3.907 1.00 0.99 O ATOM 0 H GLY A 64 2.570 -12.077 -7.048 1.00 0.67 H new ATOM 0 HA2 GLY A 64 4.946 -12.930 -5.656 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.445 -11.298 -6.051 1.00 0.66 H new ATOM 972 N PRO A 65 4.584 -11.670 -3.367 1.00 0.37 N ATOM 973 CA PRO A 65 4.406 -11.745 -1.922 1.00 0.27 C ATOM 974 C PRO A 65 3.388 -10.773 -1.386 1.00 0.23 C ATOM 975 O PRO A 65 2.727 -11.024 -0.380 1.00 0.29 O ATOM 976 CB PRO A 65 5.800 -11.459 -1.392 1.00 0.32 C ATOM 977 CG PRO A 65 6.492 -10.669 -2.455 1.00 0.43 C ATOM 978 CD PRO A 65 5.892 -11.116 -3.755 1.00 0.44 C ATOM 0 HA PRO A 65 4.009 -12.711 -1.610 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.755 -10.900 -0.458 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.336 -12.385 -1.183 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.346 -9.599 -2.305 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.567 -10.849 -2.438 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.783 -10.285 -4.452 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.514 -11.865 -4.246 1.00 0.44 H new ATOM 986 N ALA A 66 3.247 -9.683 -2.077 1.00 0.22 N ATOM 987 CA ALA A 66 2.273 -8.688 -1.720 1.00 0.24 C ATOM 988 C ALA A 66 0.862 -9.230 -1.878 1.00 0.29 C ATOM 989 O ALA A 66 -0.047 -8.850 -1.146 1.00 0.36 O ATOM 990 CB ALA A 66 2.476 -7.486 -2.591 1.00 0.27 C ATOM 0 H ALA A 66 3.801 -9.455 -2.903 1.00 0.22 H new ATOM 0 HA ALA A 66 2.402 -8.412 -0.674 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.744 -6.721 -2.332 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.481 -7.092 -2.439 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.351 -7.769 -3.636 1.00 0.27 H new ATOM 996 N GLU A 67 0.687 -10.139 -2.827 1.00 0.30 N ATOM 997 CA GLU A 67 -0.621 -10.714 -3.083 1.00 0.42 C ATOM 998 C GLU A 67 -0.932 -11.758 -2.026 1.00 0.39 C ATOM 999 O GLU A 67 -2.087 -11.961 -1.646 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.673 -11.315 -4.486 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.972 -12.032 -4.789 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.302 -12.043 -6.262 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -1.547 -12.659 -7.040 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.335 -11.438 -6.632 1.00 1.79 O ATOM 0 H GLU A 67 1.432 -10.491 -3.428 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.378 -9.931 -3.031 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.526 -10.521 -5.218 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.155 -12.014 -4.604 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.909 -13.058 -4.428 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.784 -11.551 -4.243 1.00 0.77 H new ATOM 1011 N ILE A 68 0.117 -12.403 -1.542 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.005 -13.375 -0.459 1.00 0.31 C ATOM 1013 C ILE A 68 -0.446 -12.672 0.820 1.00 0.28 C ATOM 1014 O ILE A 68 -1.276 -13.182 1.570 1.00 0.34 O ATOM 1015 CB ILE A 68 1.329 -14.131 -0.218 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.588 -15.168 -1.323 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.331 -14.822 1.144 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.497 -14.633 -2.732 1.00 0.51 C ATOM 0 H ILE A 68 1.070 -12.272 -1.882 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.756 -14.110 -0.749 1.00 0.31 H new ATOM 0 HB ILE A 68 2.128 -13.390 -0.239 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.580 -15.594 -1.175 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.872 -15.982 -1.212 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.277 -15.344 1.286 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.206 -14.077 1.930 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.511 -15.539 1.189 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.695 -15.438 -3.440 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.498 -14.234 -2.906 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.233 -13.841 -2.869 1.00 0.51 H new ATOM 1030 N ALA A 69 0.103 -11.487 1.047 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.288 -10.677 2.191 1.00 0.24 C ATOM 1032 C ALA A 69 -1.648 -10.039 1.946 1.00 0.31 C ATOM 1033 O ALA A 69 -2.356 -9.686 2.887 1.00 0.41 O ATOM 1034 CB ALA A 69 0.762 -9.620 2.488 1.00 0.24 C ATOM 0 H ALA A 69 0.819 -11.066 0.455 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.365 -11.325 3.064 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.448 -9.027 3.347 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.713 -10.104 2.709 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.879 -8.970 1.621 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.012 -9.899 0.676 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.348 -9.433 0.355 1.00 0.41 C ATOM 1042 C GLY A 70 -3.412 -7.993 -0.132 1.00 0.36 C ATOM 1043 O GLY A 70 -4.260 -7.228 0.324 1.00 0.45 O ATOM 0 H GLY A 70 -1.415 -10.097 -0.127 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.771 -10.082 -0.412 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.977 -9.533 1.240 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.538 -7.617 -1.054 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.601 -6.281 -1.647 1.00 0.30 C ATOM 1049 C LEU A 71 -3.445 -6.283 -2.909 1.00 0.24 C ATOM 1050 O LEU A 71 -3.628 -7.326 -3.547 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.212 -5.737 -1.939 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.779 -4.623 -1.002 1.00 0.49 C ATOM 1053 CD1 LEU A 71 0.677 -4.257 -1.245 1.00 0.89 C ATOM 1054 CD2 LEU A 71 -1.673 -3.407 -1.174 1.00 0.87 C ATOM 0 H LEU A 71 -1.784 -8.207 -1.407 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.074 -5.624 -0.917 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.492 -6.553 -1.875 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -1.185 -5.368 -2.964 1.00 0.38 H new ATOM 0 HG LEU A 71 -0.876 -4.978 0.024 1.00 0.49 H new ATOM 0 HD11 LEU A 71 0.970 -3.457 -0.565 1.00 0.89 H new ATOM 0 HD12 LEU A 71 1.306 -5.130 -1.070 1.00 0.89 H new ATOM 0 HD13 LEU A 71 0.801 -3.921 -2.274 1.00 0.89 H new ATOM 0 HD21 LEU A 71 -1.349 -2.618 -0.495 1.00 0.87 H new ATOM 0 HD22 LEU A 71 -1.608 -3.050 -2.202 1.00 0.87 H new ATOM 0 HD23 LEU A 71 -2.704 -3.679 -0.948 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.974 -5.113 -3.261 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.017 -5.039 -4.267 1.00 0.33 C ATOM 1068 C GLN A 72 -4.797 -3.965 -5.335 1.00 0.25 C ATOM 1069 O GLN A 72 -5.772 -3.424 -5.863 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.312 -4.781 -3.546 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.518 -5.729 -2.379 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.544 -5.228 -1.397 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.571 -3.926 -1.200 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.280 -6.004 -0.788 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.697 -4.214 -2.866 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.019 -5.983 -4.812 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.325 -3.753 -3.183 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.142 -4.883 -4.245 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.829 -6.703 -2.758 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.569 -5.876 -1.863 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.227 -7.006 -0.971 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.943 -5.645 -0.101 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.538 -3.674 -5.683 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.240 -2.879 -6.862 1.00 0.26 C ATOM 1085 C ILE A 73 -3.522 -1.366 -6.691 1.00 0.23 C ATOM 1086 O ILE A 73 -2.993 -0.559 -7.453 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.993 -3.449 -8.109 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.399 -4.792 -8.570 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.971 -2.472 -9.257 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.851 -5.995 -7.772 1.00 0.77 C ATOM 0 H ILE A 73 -2.717 -3.980 -5.161 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.164 -2.960 -7.017 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.025 -3.613 -7.800 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -3.661 -4.949 -9.616 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -2.312 -4.728 -8.520 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.503 -2.898 -10.108 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.456 -1.544 -8.954 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.939 -2.266 -9.540 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.380 -6.894 -8.171 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -3.564 -5.868 -6.728 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.934 -6.092 -7.842 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.249 -0.962 -5.652 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.767 0.406 -5.616 1.00 0.25 C ATOM 1104 C GLY A 74 -5.124 0.849 -4.219 1.00 0.29 C ATOM 1105 O GLY A 74 -6.220 1.355 -3.960 1.00 0.37 O ATOM 0 H GLY A 74 -4.488 -1.540 -4.846 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.022 1.085 -6.030 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.649 0.474 -6.253 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.177 0.693 -3.327 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.428 0.856 -1.901 1.00 0.34 C ATOM 1111 C ASP A 75 -3.546 1.950 -1.331 1.00 0.30 C ATOM 1112 O ASP A 75 -2.412 2.104 -1.745 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.186 -0.458 -1.167 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.035 -1.586 -1.711 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.235 -1.639 -1.378 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.503 -2.408 -2.486 1.00 0.89 O ATOM 0 H ASP A 75 -3.214 0.451 -3.558 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.470 1.144 -1.762 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.133 -0.728 -1.248 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.400 -0.324 -0.107 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.051 2.671 -0.353 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.403 3.871 0.131 1.00 0.28 C ATOM 1123 C LYS A 76 -2.658 3.588 1.427 1.00 0.28 C ATOM 1124 O LYS A 76 -3.247 3.487 2.494 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.429 4.995 0.320 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.010 5.534 -0.991 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.898 4.516 -1.699 1.00 1.17 C ATOM 1128 CE LYS A 76 -6.260 4.965 -3.106 1.00 1.55 C ATOM 1129 NZ LYS A 76 -7.070 3.945 -3.833 1.00 2.20 N ATOM 0 H LYS A 76 -4.921 2.442 0.128 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.676 4.198 -0.612 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.244 4.628 0.943 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -3.958 5.816 0.862 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.588 6.435 -0.785 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.195 5.823 -1.654 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.385 3.555 -1.745 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -6.809 4.364 -1.120 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.818 5.900 -3.055 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -5.348 5.169 -3.666 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -7.264 4.280 -4.798 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.543 3.050 -3.876 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -7.969 3.794 -3.332 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.361 3.460 1.297 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.472 3.149 2.396 1.00 0.27 C ATOM 1145 C ILE A 77 -0.445 4.249 3.445 1.00 0.25 C ATOM 1146 O ILE A 77 -0.168 5.434 3.134 1.00 0.29 O ATOM 1147 CB ILE A 77 0.944 2.908 1.861 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.915 1.684 0.948 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.988 2.774 2.977 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.032 2.031 -0.513 1.00 0.49 C ATOM 0 H ILE A 77 -0.880 3.571 0.405 1.00 0.28 H new ATOM 0 HA ILE A 77 -0.850 2.248 2.879 1.00 0.27 H new ATOM 0 HB ILE A 77 1.257 3.782 1.289 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.730 1.015 1.222 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.014 1.138 1.112 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.971 2.605 2.537 1.00 0.38 H new ATOM 0 HG22 ILE A 77 2.008 3.689 3.568 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.728 1.933 3.619 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.005 1.118 -1.107 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.202 2.676 -0.801 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.974 2.551 -0.689 1.00 0.49 H new ATOM 1162 N MET A 78 -0.779 3.815 4.668 1.00 0.22 N ATOM 1163 CA MET A 78 -0.709 4.622 5.871 1.00 0.24 C ATOM 1164 C MET A 78 0.641 4.459 6.566 1.00 0.24 C ATOM 1165 O MET A 78 1.001 5.260 7.424 1.00 0.30 O ATOM 1166 CB MET A 78 -1.811 4.211 6.859 1.00 0.33 C ATOM 1167 CG MET A 78 -3.216 4.148 6.280 1.00 0.32 C ATOM 1168 SD MET A 78 -3.944 5.777 5.985 1.00 0.75 S ATOM 1169 CE MET A 78 -2.899 6.371 4.665 1.00 1.06 C ATOM 0 H MET A 78 -1.113 2.867 4.841 1.00 0.22 H new ATOM 0 HA MET A 78 -0.841 5.661 5.571 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.561 3.233 7.269 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.810 4.915 7.691 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.190 3.594 5.341 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.857 3.589 6.962 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.427 7.139 4.100 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.986 6.793 5.085 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.645 5.544 4.002 1.00 1.06 H new ATOM 1179 N GLN A 79 1.375 3.408 6.214 1.00 0.23 N ATOM 1180 CA GLN A 79 2.663 3.127 6.848 1.00 0.23 C ATOM 1181 C GLN A 79 3.401 1.985 6.156 1.00 0.24 C ATOM 1182 O GLN A 79 2.778 1.104 5.569 1.00 0.24 O ATOM 1183 CB GLN A 79 2.472 2.796 8.340 1.00 0.26 C ATOM 1184 CG GLN A 79 3.387 1.686 8.848 1.00 0.54 C ATOM 1185 CD GLN A 79 3.494 1.618 10.357 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.437 2.766 11.011 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.669 0.540 10.926 1.00 0.43 N flip ATOM 0 H GLN A 79 1.103 2.737 5.495 1.00 0.23 H new ATOM 0 HA GLN A 79 3.271 4.027 6.753 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.649 3.697 8.928 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.435 2.504 8.508 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.021 0.729 8.477 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.383 1.830 8.430 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.707 -0.323 10.383 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.776 0.510 11.940 1.00 0.43 H new ATOM 1196 N VAL A 80 4.731 2.011 6.238 1.00 0.28 N ATOM 1197 CA VAL A 80 5.550 0.909 5.754 1.00 0.35 C ATOM 1198 C VAL A 80 6.689 0.627 6.738 1.00 0.31 C ATOM 1199 O VAL A 80 7.437 1.529 7.129 1.00 0.31 O ATOM 1200 CB VAL A 80 6.113 1.161 4.327 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.370 2.028 4.339 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.377 -0.159 3.622 1.00 1.31 C ATOM 0 H VAL A 80 5.261 2.786 6.636 1.00 0.28 H new ATOM 0 HA VAL A 80 4.903 0.034 5.686 1.00 0.35 H new ATOM 0 HB VAL A 80 5.354 1.715 3.775 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.722 2.173 3.318 1.00 0.85 H new ATOM 0 HG12 VAL A 80 7.140 2.996 4.785 1.00 0.85 H new ATOM 0 HG13 VAL A 80 8.147 1.535 4.924 1.00 0.85 H new ATOM 0 HG21 VAL A 80 6.771 0.034 2.624 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.103 -0.738 4.193 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.447 -0.721 3.542 1.00 1.31 H new ATOM 1212 N ASN A 81 6.755 -0.623 7.188 1.00 0.34 N ATOM 1213 CA ASN A 81 7.835 -1.115 8.044 1.00 0.38 C ATOM 1214 C ASN A 81 8.044 -0.248 9.286 1.00 0.34 C ATOM 1215 O ASN A 81 9.153 -0.185 9.823 1.00 0.40 O ATOM 1216 CB ASN A 81 9.137 -1.208 7.243 1.00 0.46 C ATOM 1217 CG ASN A 81 9.028 -2.194 6.097 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.678 -1.827 4.981 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.321 -3.454 6.367 1.00 1.18 N ATOM 0 H ASN A 81 6.055 -1.331 6.968 1.00 0.34 H new ATOM 0 HA ASN A 81 7.542 -2.106 8.392 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.393 -0.224 6.851 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.949 -1.509 7.905 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.260 -4.160 5.634 1.00 1.18 H new ATOM 0 HD22 ASN A 81 9.609 -3.720 7.309 1.00 1.18 H new ATOM 1226 N GLY A 82 6.979 0.402 9.758 1.00 0.32 N ATOM 1227 CA GLY A 82 7.088 1.212 10.959 1.00 0.34 C ATOM 1228 C GLY A 82 7.094 2.704 10.674 1.00 0.31 C ATOM 1229 O GLY A 82 6.934 3.515 11.588 1.00 0.38 O ATOM 0 H GLY A 82 6.052 0.382 9.333 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.256 0.979 11.624 1.00 0.34 H new ATOM 0 HA3 GLY A 82 8.003 0.946 11.488 1.00 0.34 H new ATOM 1233 N TRP A 83 7.285 3.074 9.413 1.00 0.28 N ATOM 1234 CA TRP A 83 7.248 4.477 9.022 1.00 0.28 C ATOM 1235 C TRP A 83 5.833 4.879 8.719 1.00 0.29 C ATOM 1236 O TRP A 83 5.051 4.088 8.228 1.00 0.48 O ATOM 1237 CB TRP A 83 8.115 4.752 7.803 1.00 0.30 C ATOM 1238 CG TRP A 83 9.562 4.569 8.069 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.228 3.396 8.061 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.518 5.582 8.389 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.550 3.607 8.343 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.752 4.938 8.562 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.449 6.966 8.555 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.912 5.624 8.877 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.606 7.650 8.872 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.822 6.976 9.037 1.00 0.76 C ATOM 0 H TRP A 83 7.466 2.425 8.647 1.00 0.28 H new ATOM 0 HA TRP A 83 7.641 5.060 9.855 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.813 4.089 6.992 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.940 5.772 7.462 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.783 2.432 7.861 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.269 2.885 8.383 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.512 7.490 8.438 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.854 5.108 8.992 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.572 8.722 8.995 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.707 7.538 9.296 1.00 0.76 H new ATOM 1257 N ASP A 84 5.529 6.118 8.985 1.00 0.39 N ATOM 1258 CA ASP A 84 4.169 6.616 8.866 1.00 0.41 C ATOM 1259 C ASP A 84 3.957 7.391 7.572 1.00 0.40 C ATOM 1260 O ASP A 84 4.622 8.398 7.314 1.00 0.59 O ATOM 1261 CB ASP A 84 3.848 7.467 10.097 1.00 0.62 C ATOM 1262 CG ASP A 84 2.839 8.573 9.839 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.644 8.254 9.653 1.00 1.89 O ATOM 1264 OD2 ASP A 84 3.231 9.757 9.793 1.00 1.28 O ATOM 0 H ASP A 84 6.207 6.816 9.290 1.00 0.39 H new ATOM 0 HA ASP A 84 3.482 5.771 8.823 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.466 6.818 10.885 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.771 7.911 10.469 1.00 0.62 H new ATOM 1269 N MET A 85 3.045 6.886 6.747 1.00 0.36 N ATOM 1270 CA MET A 85 2.717 7.507 5.478 1.00 0.46 C ATOM 1271 C MET A 85 1.359 8.178 5.526 1.00 0.36 C ATOM 1272 O MET A 85 0.315 7.533 5.490 1.00 0.56 O ATOM 1273 CB MET A 85 2.744 6.488 4.334 1.00 0.76 C ATOM 1274 CG MET A 85 4.141 6.052 3.947 1.00 0.49 C ATOM 1275 SD MET A 85 5.005 5.226 5.289 1.00 1.01 S ATOM 1276 CE MET A 85 6.665 5.264 4.662 1.00 0.44 C ATOM 0 H MET A 85 2.516 6.036 6.943 1.00 0.36 H new ATOM 0 HA MET A 85 3.477 8.265 5.291 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.166 5.611 4.625 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.252 6.919 3.462 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.084 5.381 3.090 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.715 6.923 3.632 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.276 4.544 5.207 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.660 5.008 3.603 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.080 6.264 4.791 1.00 0.44 H new ATOM 1286 N THR A 86 1.401 9.476 5.631 1.00 0.31 N ATOM 1287 CA THR A 86 0.240 10.321 5.450 1.00 0.35 C ATOM 1288 C THR A 86 0.634 11.422 4.508 1.00 0.46 C ATOM 1289 O THR A 86 -0.045 11.743 3.533 1.00 1.05 O ATOM 1290 CB THR A 86 -0.201 10.949 6.775 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.951 11.251 7.574 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.133 10.036 7.531 1.00 0.37 C ATOM 0 H THR A 86 2.254 9.992 5.848 1.00 0.31 H new ATOM 0 HA THR A 86 -0.587 9.725 5.063 1.00 0.35 H new ATOM 0 HB THR A 86 -0.742 11.869 6.554 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.666 11.654 8.420 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.428 10.511 8.467 1.00 0.37 H new ATOM 0 HG22 THR A 86 -2.020 9.841 6.928 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.626 9.095 7.745 1.00 0.37 H new ATOM 1300 N MET A 87 1.768 11.990 4.842 1.00 0.56 N ATOM 1301 CA MET A 87 2.430 12.958 4.018 1.00 0.65 C ATOM 1302 C MET A 87 3.899 12.609 3.998 1.00 0.76 C ATOM 1303 O MET A 87 4.684 13.094 4.810 1.00 1.49 O ATOM 1304 CB MET A 87 2.207 14.368 4.557 1.00 0.84 C ATOM 1305 CG MET A 87 1.285 14.408 5.771 1.00 0.97 C ATOM 1306 SD MET A 87 0.944 16.080 6.341 1.00 1.36 S ATOM 1307 CE MET A 87 -0.033 15.736 7.802 1.00 1.62 C ATOM 0 H MET A 87 2.261 11.785 5.711 1.00 0.56 H new ATOM 0 HA MET A 87 2.026 12.939 3.006 1.00 0.65 H new ATOM 0 HB2 MET A 87 3.169 14.804 4.825 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.785 14.989 3.767 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.345 13.916 5.522 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.738 13.839 6.583 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.325 16.674 8.274 1.00 1.62 H new ATOM 0 HE2 MET A 87 -0.926 15.178 7.520 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.557 15.146 8.503 1.00 1.62 H new ATOM 1317 N VAL A 88 4.244 11.706 3.107 1.00 0.40 N ATOM 1318 CA VAL A 88 5.593 11.211 2.987 1.00 0.45 C ATOM 1319 C VAL A 88 5.942 11.114 1.504 1.00 0.36 C ATOM 1320 O VAL A 88 5.095 10.757 0.699 1.00 0.39 O ATOM 1321 CB VAL A 88 5.695 9.850 3.726 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.403 8.780 2.920 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.380 10.041 5.064 1.00 1.09 C ATOM 0 H VAL A 88 3.590 11.293 2.442 1.00 0.40 H new ATOM 0 HA VAL A 88 6.315 11.883 3.451 1.00 0.45 H new ATOM 0 HB VAL A 88 4.675 9.495 3.875 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.439 7.855 3.496 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.862 8.608 1.990 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.418 9.107 2.694 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.449 9.082 5.578 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.382 10.441 4.906 1.00 1.09 H new ATOM 0 HG23 VAL A 88 5.803 10.738 5.672 1.00 1.09 H new ATOM 1333 N THR A 89 7.134 11.543 1.126 1.00 0.31 N ATOM 1334 CA THR A 89 7.563 11.472 -0.250 1.00 0.28 C ATOM 1335 C THR A 89 7.536 10.033 -0.794 1.00 0.26 C ATOM 1336 O THR A 89 7.703 9.067 -0.049 1.00 0.26 O ATOM 1337 CB THR A 89 8.965 12.098 -0.390 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.899 11.432 0.458 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.912 13.573 -0.018 1.00 0.35 C ATOM 0 H THR A 89 7.822 11.946 1.762 1.00 0.31 H new ATOM 0 HA THR A 89 6.857 12.042 -0.854 1.00 0.28 H new ATOM 0 HB THR A 89 9.287 11.991 -1.426 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.784 11.841 0.355 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.906 14.010 -0.119 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.219 14.091 -0.681 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.573 13.676 1.013 1.00 0.35 H new ATOM 1347 N HIS A 90 7.299 9.901 -2.099 1.00 0.26 N ATOM 1348 CA HIS A 90 7.239 8.590 -2.752 1.00 0.25 C ATOM 1349 C HIS A 90 8.533 7.859 -2.544 1.00 0.27 C ATOM 1350 O HIS A 90 8.565 6.646 -2.364 1.00 0.30 O ATOM 1351 CB HIS A 90 6.979 8.764 -4.241 1.00 0.25 C ATOM 1352 CG HIS A 90 6.895 7.485 -5.041 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.057 7.456 -6.410 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.643 6.197 -4.676 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.904 6.221 -6.846 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.654 5.440 -5.820 1.00 0.32 N ATOM 0 H HIS A 90 7.145 10.689 -2.728 1.00 0.26 H new ATOM 0 HA HIS A 90 6.426 8.011 -2.314 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.046 9.313 -4.367 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.772 9.383 -4.661 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.467 5.838 -3.673 1.00 0.27 H new ATOM 0 HE1 HIS A 90 6.973 5.904 -7.876 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.494 4.434 -5.866 1.00 0.32 H new ATOM 1365 N ASP A 91 9.590 8.624 -2.571 1.00 0.31 N ATOM 1366 CA ASP A 91 10.921 8.067 -2.375 1.00 0.34 C ATOM 1367 C ASP A 91 11.103 7.667 -0.939 1.00 0.32 C ATOM 1368 O ASP A 91 11.810 6.711 -0.651 1.00 0.33 O ATOM 1369 CB ASP A 91 12.034 9.027 -2.783 1.00 0.41 C ATOM 1370 CG ASP A 91 12.307 8.991 -4.273 1.00 1.03 C ATOM 1371 OD1 ASP A 91 12.883 7.992 -4.747 1.00 1.67 O ATOM 1372 OD2 ASP A 91 11.946 9.957 -4.980 1.00 1.45 O ATOM 0 H ASP A 91 9.567 9.632 -2.725 1.00 0.31 H new ATOM 0 HA ASP A 91 10.995 7.194 -3.024 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.762 10.041 -2.490 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.946 8.773 -2.243 1.00 0.41 H new ATOM 1377 N GLN A 92 10.452 8.385 -0.033 1.00 0.31 N ATOM 1378 CA GLN A 92 10.552 8.061 1.364 1.00 0.32 C ATOM 1379 C GLN A 92 9.915 6.706 1.592 1.00 0.29 C ATOM 1380 O GLN A 92 10.528 5.810 2.157 1.00 0.31 O ATOM 1381 CB GLN A 92 9.857 9.119 2.203 1.00 0.36 C ATOM 1382 CG GLN A 92 9.620 8.683 3.620 1.00 0.42 C ATOM 1383 CD GLN A 92 10.629 9.243 4.591 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.689 8.659 4.827 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.285 10.375 5.171 1.00 0.62 N ATOM 0 H GLN A 92 9.858 9.186 -0.248 1.00 0.31 H new ATOM 0 HA GLN A 92 11.600 8.031 1.661 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.460 10.027 2.204 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.902 9.371 1.742 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.621 8.992 3.926 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.645 7.594 3.667 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.395 10.817 4.939 1.00 0.62 H new ATOM 0 HE22 GLN A 92 10.908 10.809 5.852 1.00 0.62 H new ATOM 1394 N ALA A 93 8.700 6.552 1.091 1.00 0.27 N ATOM 1395 CA ALA A 93 7.969 5.308 1.250 1.00 0.28 C ATOM 1396 C ALA A 93 8.670 4.185 0.500 1.00 0.28 C ATOM 1397 O ALA A 93 8.734 3.052 0.970 1.00 0.33 O ATOM 1398 CB ALA A 93 6.543 5.472 0.760 1.00 0.33 C ATOM 0 H ALA A 93 8.200 7.273 0.571 1.00 0.27 H new ATOM 0 HA ALA A 93 7.941 5.048 2.308 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.005 4.532 0.885 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.048 6.253 1.337 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.550 5.749 -0.294 1.00 0.33 H new ATOM 1404 N ARG A 94 9.218 4.527 -0.656 1.00 0.27 N ATOM 1405 CA ARG A 94 9.900 3.565 -1.501 1.00 0.30 C ATOM 1406 C ARG A 94 11.193 3.094 -0.854 1.00 0.33 C ATOM 1407 O ARG A 94 11.507 1.907 -0.868 1.00 0.37 O ATOM 1408 CB ARG A 94 10.202 4.190 -2.860 1.00 0.34 C ATOM 1409 CG ARG A 94 10.625 3.182 -3.905 1.00 0.43 C ATOM 1410 CD ARG A 94 10.453 3.716 -5.317 1.00 0.57 C ATOM 1411 NE ARG A 94 11.073 5.028 -5.515 1.00 1.04 N ATOM 1412 CZ ARG A 94 10.921 5.750 -6.624 1.00 1.41 C ATOM 1413 NH1 ARG A 94 10.198 5.282 -7.636 1.00 1.57 N ATOM 1414 NH2 ARG A 94 11.492 6.938 -6.724 1.00 2.10 N ATOM 0 H ARG A 94 9.202 5.475 -1.031 1.00 0.27 H new ATOM 0 HA ARG A 94 9.247 2.703 -1.634 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.316 4.718 -3.213 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.991 4.933 -2.743 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.669 2.911 -3.745 1.00 0.43 H new ATOM 0 HG3 ARG A 94 10.038 2.271 -3.788 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.885 3.006 -6.022 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.390 3.785 -5.546 1.00 0.57 H new ATOM 0 HE ARG A 94 11.651 5.408 -4.765 1.00 1.04 H new ATOM 0 HH11 ARG A 94 9.756 4.365 -7.566 1.00 1.57 H new ATOM 0 HH12 ARG A 94 10.085 5.839 -8.483 1.00 1.57 H new ATOM 0 HH21 ARG A 94 12.050 7.303 -5.952 1.00 2.10 H new ATOM 0 HH22 ARG A 94 11.375 7.490 -7.574 1.00 2.10 H new ATOM 1428 N LYS A 95 11.932 4.026 -0.269 1.00 0.33 N ATOM 1429 CA LYS A 95 13.210 3.727 0.316 1.00 0.40 C ATOM 1430 C LYS A 95 13.027 2.947 1.609 1.00 0.42 C ATOM 1431 O LYS A 95 13.760 1.998 1.879 1.00 0.46 O ATOM 1432 CB LYS A 95 13.963 5.039 0.560 1.00 0.46 C ATOM 1433 CG LYS A 95 15.326 4.886 1.201 1.00 0.64 C ATOM 1434 CD LYS A 95 15.223 4.715 2.712 1.00 0.56 C ATOM 1435 CE LYS A 95 16.460 4.062 3.297 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.673 4.896 3.092 1.00 0.96 N ATOM 0 H LYS A 95 11.654 5.004 -0.192 1.00 0.33 H new ATOM 0 HA LYS A 95 13.794 3.105 -0.363 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.082 5.554 -0.393 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.350 5.680 1.194 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.835 4.024 0.771 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.935 5.761 0.975 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.073 5.689 3.177 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.348 4.110 2.949 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.312 3.892 4.363 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.608 3.085 2.836 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.492 4.433 3.535 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.848 5.009 2.073 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.529 5.831 3.524 1.00 0.96 H new ATOM 1450 N ARG A 96 12.049 3.356 2.412 1.00 0.45 N ATOM 1451 CA ARG A 96 11.824 2.724 3.705 1.00 0.51 C ATOM 1452 C ARG A 96 11.325 1.301 3.517 1.00 0.57 C ATOM 1453 O ARG A 96 11.621 0.413 4.319 1.00 0.72 O ATOM 1454 CB ARG A 96 10.833 3.528 4.551 1.00 0.55 C ATOM 1455 CG ARG A 96 11.271 4.961 4.794 1.00 0.59 C ATOM 1456 CD ARG A 96 12.683 5.026 5.348 1.00 0.72 C ATOM 1457 NE ARG A 96 13.170 6.401 5.427 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.415 6.744 5.760 1.00 2.35 C ATOM 1459 NH1 ARG A 96 15.311 5.815 6.088 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.757 8.025 5.770 1.00 3.57 N ATOM 0 H ARG A 96 11.405 4.116 2.192 1.00 0.45 H new ATOM 0 HA ARG A 96 12.775 2.698 4.236 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.863 3.532 4.055 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.698 3.029 5.511 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.219 5.521 3.861 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.583 5.439 5.491 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.706 4.574 6.340 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.349 4.440 4.715 1.00 0.72 H new ATOM 0 HE ARG A 96 12.512 7.151 5.213 1.00 1.98 H new ATOM 0 HH11 ARG A 96 15.048 4.830 6.086 1.00 1.58 H new ATOM 0 HH12 ARG A 96 16.260 6.089 6.341 1.00 1.58 H new ATOM 0 HH21 ARG A 96 14.070 8.738 5.524 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.707 8.297 6.023 1.00 3.57 H new ATOM 1474 N LEU A 97 10.569 1.101 2.449 1.00 0.52 N ATOM 1475 CA LEU A 97 10.123 -0.220 2.050 1.00 0.57 C ATOM 1476 C LEU A 97 11.283 -1.011 1.461 1.00 0.64 C ATOM 1477 O LEU A 97 11.608 -2.106 1.926 1.00 0.96 O ATOM 1478 CB LEU A 97 8.990 -0.096 1.024 1.00 0.70 C ATOM 1479 CG LEU A 97 8.772 -1.314 0.127 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.346 -2.526 0.940 1.00 1.45 C ATOM 1481 CD2 LEU A 97 7.746 -0.991 -0.941 1.00 1.65 C ATOM 0 H LEU A 97 10.249 1.851 1.836 1.00 0.52 H new ATOM 0 HA LEU A 97 9.752 -0.750 2.927 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.062 0.110 1.558 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.191 0.768 0.390 1.00 0.70 H new ATOM 0 HG LEU A 97 9.717 -1.561 -0.357 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.198 -3.377 0.275 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.120 -2.765 1.669 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.414 -2.306 1.460 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.596 -1.864 -1.577 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.802 -0.719 -0.468 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.102 -0.158 -1.547 1.00 1.65 H new ATOM 1493 N THR A 98 11.924 -0.447 0.449 1.00 0.54 N ATOM 1494 CA THR A 98 12.982 -1.151 -0.237 1.00 0.65 C ATOM 1495 C THR A 98 14.311 -0.776 0.357 1.00 0.74 C ATOM 1496 O THR A 98 15.068 0.049 -0.160 1.00 1.53 O ATOM 1497 CB THR A 98 12.993 -0.905 -1.754 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.660 -1.008 -2.268 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.888 -1.929 -2.442 1.00 1.12 C ATOM 0 H THR A 98 11.728 0.488 0.091 1.00 0.54 H new ATOM 0 HA THR A 98 12.794 -2.216 -0.098 1.00 0.65 H new ATOM 0 HB THR A 98 13.381 0.095 -1.950 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.669 -0.849 -3.235 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.890 -1.747 -3.517 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.904 -1.841 -2.057 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.511 -2.933 -2.245 1.00 1.12 H new ATOM 1507 N LYS A 99 14.535 -1.379 1.481 1.00 0.79 N ATOM 1508 CA LYS A 99 15.716 -1.204 2.256 1.00 1.12 C ATOM 1509 C LYS A 99 16.106 -2.578 2.754 1.00 1.36 C ATOM 1510 O LYS A 99 15.394 -3.171 3.569 1.00 2.28 O ATOM 1511 CB LYS A 99 15.386 -0.243 3.388 1.00 1.29 C ATOM 1512 CG LYS A 99 16.244 -0.373 4.627 1.00 1.18 C ATOM 1513 CD LYS A 99 15.377 -0.235 5.867 1.00 1.56 C ATOM 1514 CE LYS A 99 14.078 -1.020 5.705 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.157 -0.824 6.853 1.00 2.72 N ATOM 0 H LYS A 99 13.872 -2.032 1.898 1.00 0.79 H new ATOM 0 HA LYS A 99 16.550 -0.781 1.696 1.00 1.12 H new ATOM 0 HB2 LYS A 99 15.474 0.776 3.012 1.00 1.29 H new ATOM 0 HB3 LYS A 99 14.344 -0.389 3.672 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.750 -1.338 4.631 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.019 0.393 4.626 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.921 -0.597 6.739 1.00 1.56 H new ATOM 0 HD3 LYS A 99 15.153 0.817 6.045 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.581 -0.711 4.786 1.00 1.98 H new ATOM 0 HE3 LYS A 99 14.307 -2.081 5.602 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.178 -0.996 6.546 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 13.403 -1.490 7.613 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.243 0.151 7.205 1.00 2.72 H new ATOM 1529 N ARG A 100 17.183 -3.113 2.206 1.00 1.04 N ATOM 1530 CA ARG A 100 17.537 -4.503 2.445 1.00 1.17 C ATOM 1531 C ARG A 100 18.027 -4.735 3.880 1.00 1.12 C ATOM 1532 O ARG A 100 19.212 -4.961 4.124 1.00 1.39 O ATOM 1533 CB ARG A 100 18.565 -4.998 1.414 1.00 1.55 C ATOM 1534 CG ARG A 100 19.751 -4.067 1.196 1.00 2.10 C ATOM 1535 CD ARG A 100 20.670 -4.607 0.110 1.00 2.50 C ATOM 1536 NE ARG A 100 21.743 -3.675 -0.232 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.717 -3.949 -1.099 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.747 -5.119 -1.732 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.651 -3.045 -1.348 1.00 4.38 N ATOM 0 H ARG A 100 17.826 -2.609 1.595 1.00 1.04 H new ATOM 0 HA ARG A 100 16.628 -5.092 2.322 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.939 -5.971 1.733 1.00 1.55 H new ATOM 0 HB3 ARG A 100 18.059 -5.148 0.460 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.394 -3.076 0.917 1.00 2.10 H new ATOM 0 HG3 ARG A 100 20.307 -3.955 2.127 1.00 2.10 H new ATOM 0 HD2 ARG A 100 21.105 -5.550 0.442 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.083 -4.824 -0.783 1.00 2.50 H new ATOM 0 HE ARG A 100 21.746 -2.761 0.220 1.00 3.10 H new ATOM 0 HH11 ARG A 100 22.021 -5.813 -1.555 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.496 -5.321 -2.394 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.624 -2.141 -0.877 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.398 -3.252 -2.011 1.00 4.38 H new ATOM 1553 N SER A 101 17.102 -4.640 4.829 1.00 1.05 N ATOM 1554 CA SER A 101 17.405 -4.906 6.229 1.00 1.37 C ATOM 1555 C SER A 101 16.288 -5.727 6.881 1.00 1.22 C ATOM 1556 O SER A 101 16.540 -6.520 7.787 1.00 1.64 O ATOM 1557 CB SER A 101 17.611 -3.591 6.995 1.00 1.90 C ATOM 1558 OG SER A 101 17.982 -3.831 8.345 1.00 2.51 O ATOM 0 H SER A 101 16.132 -4.379 4.652 1.00 1.05 H new ATOM 0 HA SER A 101 18.328 -5.484 6.271 1.00 1.37 H new ATOM 0 HB2 SER A 101 18.383 -2.999 6.504 1.00 1.90 H new ATOM 0 HB3 SER A 101 16.693 -3.004 6.967 1.00 1.90 H new ATOM 0 HG SER A 101 18.108 -2.976 8.807 1.00 2.51 H new ATOM 1564 N GLU A 102 15.056 -5.528 6.416 1.00 1.06 N ATOM 1565 CA GLU A 102 13.903 -6.248 6.948 1.00 1.19 C ATOM 1566 C GLU A 102 13.973 -7.731 6.588 1.00 0.93 C ATOM 1567 O GLU A 102 14.383 -8.088 5.485 1.00 1.34 O ATOM 1568 CB GLU A 102 12.608 -5.668 6.368 1.00 1.63 C ATOM 1569 CG GLU A 102 12.486 -4.153 6.479 1.00 2.12 C ATOM 1570 CD GLU A 102 12.188 -3.662 7.884 1.00 2.70 C ATOM 1571 OE1 GLU A 102 11.081 -3.943 8.388 1.00 3.40 O ATOM 1572 OE2 GLU A 102 13.072 -3.032 8.499 1.00 2.95 O ATOM 0 H GLU A 102 14.831 -4.871 5.669 1.00 1.06 H new ATOM 0 HA GLU A 102 13.913 -6.138 8.032 1.00 1.19 H new ATOM 0 HB2 GLU A 102 12.538 -5.949 5.317 1.00 1.63 H new ATOM 0 HB3 GLU A 102 11.760 -6.126 6.877 1.00 1.63 H new ATOM 0 HG2 GLU A 102 13.414 -3.697 6.135 1.00 2.12 H new ATOM 0 HG3 GLU A 102 11.696 -3.812 5.810 1.00 2.12 H new ATOM 1579 N GLU A 103 13.575 -8.592 7.516 1.00 0.74 N ATOM 1580 CA GLU A 103 13.397 -10.004 7.196 1.00 0.68 C ATOM 1581 C GLU A 103 11.935 -10.250 6.850 1.00 0.54 C ATOM 1582 O GLU A 103 11.559 -11.294 6.321 1.00 0.61 O ATOM 1583 CB GLU A 103 13.821 -10.898 8.365 1.00 0.95 C ATOM 1584 CG GLU A 103 12.799 -10.991 9.492 1.00 1.37 C ATOM 1585 CD GLU A 103 12.499 -12.434 9.873 1.00 2.16 C ATOM 1586 OE1 GLU A 103 12.331 -13.280 8.969 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.434 -12.726 11.090 1.00 2.68 O ATOM 0 H GLU A 103 13.371 -8.343 8.484 1.00 0.74 H new ATOM 0 HA GLU A 103 14.030 -10.255 6.345 1.00 0.68 H new ATOM 0 HB2 GLU A 103 14.018 -11.901 7.986 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.759 -10.521 8.772 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.173 -10.456 10.365 1.00 1.37 H new ATOM 0 HG3 GLU A 103 11.876 -10.498 9.186 1.00 1.37 H new ATOM 1594 N VAL A 104 11.131 -9.237 7.135 1.00 0.40 N ATOM 1595 CA VAL A 104 9.692 -9.284 6.973 1.00 0.33 C ATOM 1596 C VAL A 104 9.193 -7.865 6.739 1.00 0.29 C ATOM 1597 O VAL A 104 9.744 -6.916 7.295 1.00 0.34 O ATOM 1598 CB VAL A 104 9.005 -9.917 8.207 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.445 -9.234 9.490 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.488 -9.875 8.076 1.00 0.37 C ATOM 0 H VAL A 104 11.470 -8.344 7.492 1.00 0.40 H new ATOM 0 HA VAL A 104 9.441 -9.913 6.118 1.00 0.33 H new ATOM 0 HB VAL A 104 9.314 -10.961 8.252 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.946 -9.700 10.340 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.524 -9.334 9.604 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.181 -8.177 9.449 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.034 -10.327 8.958 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.159 -8.840 7.989 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.184 -10.429 7.188 1.00 0.37 H new ATOM 1610 N VAL A 105 8.165 -7.710 5.928 1.00 0.28 N ATOM 1611 CA VAL A 105 7.770 -6.396 5.479 1.00 0.28 C ATOM 1612 C VAL A 105 6.367 -6.061 5.884 1.00 0.26 C ATOM 1613 O VAL A 105 5.400 -6.742 5.541 1.00 0.26 O ATOM 1614 CB VAL A 105 7.948 -6.221 3.974 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.250 -4.961 3.495 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.422 -6.164 3.683 1.00 0.46 C ATOM 0 H VAL A 105 7.593 -8.475 5.570 1.00 0.28 H new ATOM 0 HA VAL A 105 8.440 -5.694 5.976 1.00 0.28 H new ATOM 0 HB VAL A 105 7.498 -7.060 3.442 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.389 -4.855 2.419 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.185 -5.028 3.718 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.674 -4.095 4.003 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.577 -6.039 2.611 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.865 -5.322 4.214 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.894 -7.090 4.012 1.00 0.46 H new ATOM 1626 N ARG A 106 6.303 -5.016 6.659 1.00 0.29 N ATOM 1627 CA ARG A 106 5.089 -4.561 7.254 1.00 0.28 C ATOM 1628 C ARG A 106 4.503 -3.402 6.474 1.00 0.26 C ATOM 1629 O ARG A 106 5.194 -2.436 6.176 1.00 0.32 O ATOM 1630 CB ARG A 106 5.387 -4.177 8.686 1.00 0.35 C ATOM 1631 CG ARG A 106 5.792 -5.369 9.533 1.00 0.43 C ATOM 1632 CD ARG A 106 7.223 -5.843 9.268 1.00 0.54 C ATOM 1633 NE ARG A 106 7.800 -6.434 10.476 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.003 -6.146 10.975 1.00 1.26 C ATOM 1635 NH1 ARG A 106 9.828 -5.322 10.341 1.00 1.76 N ATOM 1636 NH2 ARG A 106 9.387 -6.703 12.117 1.00 1.46 N ATOM 0 H ARG A 106 7.115 -4.447 6.897 1.00 0.29 H new ATOM 0 HA ARG A 106 4.341 -5.353 7.237 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.186 -3.436 8.702 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.507 -3.706 9.124 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.693 -5.108 10.587 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.103 -6.192 9.342 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.226 -6.575 8.461 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.835 -5.003 8.939 1.00 0.54 H new ATOM 0 HE ARG A 106 7.237 -7.121 10.977 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.546 -4.898 9.457 1.00 1.76 H new ATOM 0 HH12 ARG A 106 10.744 -5.113 10.737 1.00 1.76 H new ATOM 0 HH21 ARG A 106 8.764 -7.346 12.606 1.00 1.46 H new ATOM 0 HH22 ARG A 106 10.305 -6.488 12.506 1.00 1.46 H new ATOM 1650 N LEU A 107 3.240 -3.502 6.139 1.00 0.24 N ATOM 1651 CA LEU A 107 2.583 -2.461 5.369 1.00 0.24 C ATOM 1652 C LEU A 107 1.242 -2.097 5.989 1.00 0.21 C ATOM 1653 O LEU A 107 0.431 -2.973 6.288 1.00 0.28 O ATOM 1654 CB LEU A 107 2.382 -2.923 3.924 1.00 0.37 C ATOM 1655 CG LEU A 107 1.825 -1.867 2.969 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.856 -0.774 2.740 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.406 -2.508 1.654 1.00 1.12 C ATOM 0 H LEU A 107 2.642 -4.291 6.385 1.00 0.24 H new ATOM 0 HA LEU A 107 3.219 -1.576 5.376 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.339 -3.271 3.535 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.708 -3.779 3.925 1.00 0.37 H new ATOM 0 HG LEU A 107 0.941 -1.414 3.418 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.449 -0.027 2.058 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.103 -0.302 3.691 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.757 -1.209 2.306 1.00 0.98 H new ATOM 0 HD21 LEU A 107 1.012 -1.743 0.986 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.269 -2.985 1.190 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.636 -3.256 1.843 1.00 1.12 H new ATOM 1669 N LEU A 108 1.004 -0.814 6.175 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.271 -0.348 6.634 1.00 0.15 C ATOM 1671 C LEU A 108 -0.946 0.305 5.455 1.00 0.15 C ATOM 1672 O LEU A 108 -0.451 1.296 4.938 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.072 0.646 7.766 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.343 1.245 8.359 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.299 0.139 8.791 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -0.978 2.128 9.544 1.00 0.26 C ATOM 0 H LEU A 108 1.690 -0.077 6.011 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.884 -1.164 7.017 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.480 0.151 8.565 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.555 1.460 7.402 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.844 1.850 7.603 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.201 0.582 9.212 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.563 -0.471 7.927 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.817 -0.486 9.543 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.884 2.558 9.970 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.470 1.530 10.300 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.318 2.929 9.211 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.038 -0.258 4.997 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.649 0.221 3.784 1.00 0.21 C ATOM 1690 C VAL A 109 -4.116 0.491 4.001 1.00 0.22 C ATOM 1691 O VAL A 109 -4.768 -0.169 4.802 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.456 -0.792 2.635 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.689 -1.652 2.399 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.039 -0.076 1.371 1.00 0.77 C ATOM 0 H VAL A 109 -2.517 -1.041 5.442 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.160 1.154 3.505 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.660 -1.474 2.934 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.497 -2.346 1.580 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -3.920 -2.214 3.304 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.534 -1.013 2.143 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.906 -0.802 0.569 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.810 0.641 1.088 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.100 0.450 1.544 1.00 0.77 H new ATOM 1704 N THR A 110 -4.628 1.475 3.314 1.00 0.22 N ATOM 1705 CA THR A 110 -6.052 1.710 3.353 1.00 0.25 C ATOM 1706 C THR A 110 -6.728 1.083 2.150 1.00 0.26 C ATOM 1707 O THR A 110 -6.474 1.457 1.001 1.00 0.30 O ATOM 1708 CB THR A 110 -6.395 3.193 3.392 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.337 3.937 4.000 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.661 3.410 4.179 1.00 0.33 C ATOM 0 H THR A 110 -4.095 2.119 2.729 1.00 0.22 H new ATOM 0 HA THR A 110 -6.416 1.251 4.272 1.00 0.25 H new ATOM 0 HB THR A 110 -6.534 3.537 2.367 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.614 4.068 3.351 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.898 4.474 4.201 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.480 2.866 3.708 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.523 3.048 5.198 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.589 0.132 2.444 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.269 -0.657 1.444 1.00 0.37 C ATOM 1720 C ARG A 111 -9.746 -0.283 1.419 1.00 0.42 C ATOM 1721 O ARG A 111 -10.374 -0.122 2.461 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.036 -2.129 1.781 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.275 -3.007 1.805 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.940 -4.336 2.455 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.107 -5.190 2.667 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.066 -6.519 2.586 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -8.976 -7.128 2.132 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.124 -7.240 2.935 1.00 2.01 N ATOM 0 H ARG A 111 -7.839 -0.117 3.401 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.883 -0.466 0.443 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.336 -2.542 1.055 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.554 -2.187 2.757 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.074 -2.512 2.356 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.640 -3.168 0.790 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.220 -4.866 1.831 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.456 -4.151 3.414 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.998 -4.746 2.888 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.167 -6.578 1.844 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -8.948 -8.146 2.071 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -11.970 -6.777 3.266 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -11.091 -8.258 2.872 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.285 -0.118 0.230 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.615 0.444 0.068 1.00 0.71 C ATOM 1744 C GLN A 112 -12.607 -0.554 -0.503 1.00 0.89 C ATOM 1745 O GLN A 112 -13.460 -1.064 0.219 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.579 1.758 -0.743 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.846 1.733 -2.085 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.437 1.175 -2.020 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.231 -0.009 -2.264 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.474 1.995 -1.624 1.00 0.66 N ATOM 0 H GLN A 112 -9.822 -0.366 -0.645 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.976 0.689 1.067 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.607 2.070 -0.926 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.119 2.526 -0.121 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -11.427 1.139 -2.791 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.804 2.748 -2.481 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -8.685 2.974 -1.431 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.522 1.647 -1.513 1.00 0.66 H new ATOM 1759 N SER A 113 -12.486 -0.860 -1.770 1.00 0.79 N ATOM 1760 CA SER A 113 -13.487 -1.681 -2.427 1.00 0.96 C ATOM 1761 C SER A 113 -12.822 -2.650 -3.389 1.00 0.89 C ATOM 1762 O SER A 113 -13.460 -3.229 -4.264 1.00 1.18 O ATOM 1763 CB SER A 113 -14.487 -0.771 -3.144 1.00 1.25 C ATOM 1764 OG SER A 113 -15.624 -1.487 -3.594 1.00 1.62 O ATOM 0 H SER A 113 -11.715 -0.560 -2.367 1.00 0.79 H new ATOM 0 HA SER A 113 -14.026 -2.275 -1.689 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.803 0.025 -2.469 1.00 1.25 H new ATOM 0 HB3 SER A 113 -13.999 -0.293 -3.994 1.00 1.25 H new ATOM 0 HG SER A 113 -15.341 -2.344 -3.975 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.534 -2.845 -3.193 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.771 -3.774 -4.005 1.00 0.94 C ATOM 1772 C LEU A 114 -10.669 -5.113 -3.295 1.00 1.13 C ATOM 1773 O LEU A 114 -9.778 -5.916 -3.567 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.382 -3.204 -4.300 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.331 -2.188 -5.448 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.900 -2.813 -6.704 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -10.089 -0.910 -5.103 1.00 1.23 C ATOM 0 H LEU A 114 -10.990 -2.369 -2.473 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.283 -3.924 -4.956 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -9.001 -2.728 -3.396 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.709 -4.029 -4.534 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.289 -1.915 -5.615 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.863 -2.090 -7.519 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.313 -3.691 -6.971 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.934 -3.108 -6.527 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -10.030 -0.215 -5.940 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -11.133 -1.149 -4.903 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -9.646 -0.451 -4.219 1.00 1.23 H new