USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 801 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: C 36 GLN :FLIP amide:sc= 0.211 F(o=-0.7!,f=-0.031) USER MOD Set 1.2: C 73 GLN :FLIP amide:sc= -0.242 F(o=-0.7,f=-0.031) USER MOD Set 2.1: C 43 LYS NZ :NH3+ -153:sc= -0.705! (180deg=-1.5!) USER MOD Set 2.2: C 54 SER OG : rot 180:sc= -2.23! USER MOD Set 3.1: C 37 MET CE :methyl -132:sc= 0 (180deg=0) USER MOD Set 3.2: C 38 ASN :FLIP amide:sc= -1.74! C(o=-2.9!,f=-1.7!) USER MOD Set 4.1: A 13 CYS SG : rot -38:sc= 0.577 USER MOD Set 4.2: A 15 CYS SG : rot 66:sc= -6.7! USER MOD Set 4.3: A 16 CYS SG : rot 89:sc= 2.66 USER MOD Set 4.4: A 29 CYS SG : rot 116:sc= -0.167 USER MOD Set 4.5: A 32 CYS SG : rot 121:sc= 0.333 USER MOD Set 4.6: A 34 SER OG : rot 131:sc= 1.2 USER MOD Set 5.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: C 62 GLN :FLIP amide:sc= -0.0596 F(o=-1.5!,f=-0.06) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-4.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 37:sc= -4.47! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : C 40 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0319) USER MOD Single : C 45 HIS :FLIP no HE2:sc= 0.197 F(o=-0.66,f=0.2) USER MOD Single : C 49 SER OG : rot 65:sc= 1.18 USER MOD Single : C 51 SER OG : rot -43:sc= 0.711 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -4.72! C(o=-4.7!,f=-9.7!) USER MOD Single : C 61 TYR OH : rot 180:sc=-0.00308 USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 161:sc= -0.842! (180deg=-1.58!) USER MOD Single : C 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 TYR OH : rot 168:sc= -0.471 USER MOD Single : C 76 ASN : amide:sc= -0.361 K(o=-0.36,f=-0.96) USER MOD Single : C 80 LYS NZ :NH3+ -152:sc= 0.543 (180deg=0.183) USER MOD Single : C 83 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -12.030 -10.289 7.446 1.00 0.00 N ATOM 138 CA ARG A 10 -12.481 -8.944 7.764 1.00 0.00 C ATOM 139 C ARG A 10 -11.663 -7.937 6.982 1.00 0.00 C ATOM 140 O ARG A 10 -10.645 -7.428 7.451 1.00 0.00 O ATOM 141 CB ARG A 10 -12.392 -8.674 9.268 1.00 0.00 C ATOM 142 CG ARG A 10 -13.497 -9.351 10.062 1.00 0.00 C ATOM 143 CD ARG A 10 -13.307 -9.182 11.556 1.00 0.00 C ATOM 144 NE ARG A 10 -13.219 -7.781 11.966 1.00 0.00 N ATOM 145 CZ ARG A 10 -13.149 -7.391 13.238 1.00 0.00 C ATOM 146 NH1 ARG A 10 -13.257 -8.287 14.212 1.00 0.00 N ATOM 147 NH2 ARG A 10 -12.995 -6.107 13.534 1.00 0.00 N ATOM 0 HA ARG A 10 -13.528 -8.847 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.425 -9.018 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.435 -7.599 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.461 -8.935 9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.521 -10.413 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.138 -9.656 12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.399 -9.702 11.862 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.211 -7.065 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.393 -9.272 13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.204 -7.990 15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.930 -5.416 12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.942 -5.811 14.509 1.00 0.00 H new ATOM 161 N TYR A 11 -12.115 -7.689 5.770 1.00 0.00 N ATOM 162 CA TYR A 11 -11.509 -6.711 4.892 1.00 0.00 C ATOM 163 C TYR A 11 -12.506 -5.618 4.641 1.00 0.00 C ATOM 164 O TYR A 11 -13.682 -5.746 4.971 1.00 0.00 O ATOM 165 CB TYR A 11 -11.118 -7.332 3.551 1.00 0.00 C ATOM 166 CG TYR A 11 -9.871 -8.141 3.560 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.752 -9.244 4.383 1.00 0.00 C ATOM 168 CD2 TYR A 11 -8.820 -7.809 2.727 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.608 -9.998 4.390 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.663 -8.558 2.725 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.559 -9.659 3.560 1.00 0.00 C ATOM 172 OH TYR A 11 -6.411 -10.427 3.561 1.00 0.00 O ATOM 0 H TYR A 11 -12.920 -8.165 5.364 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.608 -6.326 5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.938 -7.964 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.006 -6.532 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.573 -9.516 5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.906 -6.955 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.528 -10.855 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.842 -8.288 2.077 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.769 -10.056 2.921 1.00 0.00 H new ATOM 182 N PHE A 12 -12.044 -4.560 4.042 1.00 0.00 N ATOM 183 CA PHE A 12 -12.906 -3.441 3.753 1.00 0.00 C ATOM 184 C PHE A 12 -12.551 -2.852 2.409 1.00 0.00 C ATOM 185 O PHE A 12 -11.454 -2.321 2.222 1.00 0.00 O ATOM 186 CB PHE A 12 -12.833 -2.368 4.846 1.00 0.00 C ATOM 187 CG PHE A 12 -13.913 -1.335 4.715 1.00 0.00 C ATOM 188 CD1 PHE A 12 -15.235 -1.698 4.885 1.00 0.00 C ATOM 189 CD2 PHE A 12 -13.617 -0.021 4.386 1.00 0.00 C ATOM 190 CE1 PHE A 12 -16.246 -0.773 4.735 1.00 0.00 C ATOM 191 CE2 PHE A 12 -14.624 0.912 4.243 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.942 0.535 4.416 1.00 0.00 C ATOM 0 H PHE A 12 -11.076 -4.444 3.742 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.932 -3.807 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.908 -2.845 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.860 -1.878 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.479 -2.719 5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.589 0.275 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.275 -1.072 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.382 1.935 3.996 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.732 1.262 4.302 1.00 0.00 H new ATOM 202 N CYS A 13 -13.459 -2.965 1.457 1.00 0.00 N ATOM 203 CA CYS A 13 -13.206 -2.407 0.160 1.00 0.00 C ATOM 204 C CYS A 13 -13.548 -0.921 0.161 1.00 0.00 C ATOM 205 O CYS A 13 -14.658 -0.523 -0.177 1.00 0.00 O ATOM 206 CB CYS A 13 -13.942 -3.181 -0.933 1.00 0.00 C ATOM 207 SG CYS A 13 -15.752 -3.152 -0.918 1.00 0.00 S ATOM 0 H CYS A 13 -14.360 -3.431 1.562 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.144 -2.502 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.609 -2.796 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -13.624 -4.222 -0.878 1.00 0.00 H new ATOM 0 HG CYS A 13 -16.177 -3.206 0.309 1.00 0.00 H new ATOM 212 N HIS A 14 -12.566 -0.102 0.539 1.00 0.00 N ATOM 213 CA HIS A 14 -12.779 1.322 0.772 1.00 0.00 C ATOM 214 C HIS A 14 -13.142 2.078 -0.504 1.00 0.00 C ATOM 215 O HIS A 14 -13.595 3.217 -0.441 1.00 0.00 O ATOM 216 CB HIS A 14 -11.536 1.945 1.418 1.00 0.00 C ATOM 217 CG HIS A 14 -10.332 2.024 0.523 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.103 3.074 -0.343 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.287 1.179 0.368 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.975 2.868 -0.992 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.454 1.727 -0.580 1.00 0.00 N ATOM 0 H HIS A 14 -11.605 -0.408 0.691 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.628 1.410 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.786 2.950 1.757 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.275 1.366 2.304 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.712 3.883 -0.462 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.135 0.247 0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.548 3.523 -1.737 1.00 0.00 H new ATOM 230 N CYS A 15 -12.927 1.457 -1.651 1.00 0.00 N ATOM 231 CA CYS A 15 -13.287 2.071 -2.918 1.00 0.00 C ATOM 232 C CYS A 15 -14.801 2.195 -3.038 1.00 0.00 C ATOM 233 O CYS A 15 -15.326 3.258 -3.359 1.00 0.00 O ATOM 234 CB CYS A 15 -12.734 1.239 -4.071 1.00 0.00 C ATOM 235 SG CYS A 15 -12.976 -0.539 -3.857 1.00 0.00 S ATOM 0 H CYS A 15 -12.506 0.531 -1.732 1.00 0.00 H new ATOM 0 HA CYS A 15 -12.855 3.071 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.213 1.554 -4.998 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -11.668 1.443 -4.177 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.247 -0.811 -3.893 1.00 0.00 H new ATOM 241 N CYS A 16 -15.490 1.100 -2.764 1.00 0.00 N ATOM 242 CA CYS A 16 -16.939 1.077 -2.830 1.00 0.00 C ATOM 243 C CYS A 16 -17.546 1.214 -1.428 1.00 0.00 C ATOM 244 O CYS A 16 -18.760 1.307 -1.261 1.00 0.00 O ATOM 245 CB CYS A 16 -17.399 -0.209 -3.520 1.00 0.00 C ATOM 246 SG CYS A 16 -16.040 -1.269 -4.096 1.00 0.00 S ATOM 0 H CYS A 16 -15.066 0.213 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.288 1.926 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -18.021 -0.777 -2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.027 0.053 -4.371 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.695 -2.087 -3.146 1.00 0.00 H new ATOM 251 N SER A 17 -16.656 1.207 -0.430 1.00 0.00 N ATOM 252 CA SER A 17 -16.993 1.476 0.970 1.00 0.00 C ATOM 253 C SER A 17 -17.917 0.417 1.578 1.00 0.00 C ATOM 254 O SER A 17 -18.976 0.740 2.114 1.00 0.00 O ATOM 255 CB SER A 17 -17.613 2.866 1.103 1.00 0.00 C ATOM 256 OG SER A 17 -16.706 3.865 0.667 1.00 0.00 O ATOM 0 H SER A 17 -15.666 1.011 -0.576 1.00 0.00 H new ATOM 0 HA SER A 17 -16.061 1.435 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.529 2.918 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.890 3.048 2.141 1.00 0.00 H new ATOM 0 HG SER A 17 -17.122 4.747 0.759 1.00 0.00 H new ATOM 262 N VAL A 18 -17.500 -0.844 1.515 1.00 0.00 N ATOM 263 CA VAL A 18 -18.267 -1.942 2.107 1.00 0.00 C ATOM 264 C VAL A 18 -17.320 -2.965 2.735 1.00 0.00 C ATOM 265 O VAL A 18 -16.218 -3.185 2.225 1.00 0.00 O ATOM 266 CB VAL A 18 -19.112 -2.678 1.054 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.128 -3.595 1.715 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.801 -1.714 0.098 1.00 0.00 C ATOM 0 H VAL A 18 -16.634 -1.134 1.060 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.924 -1.502 2.857 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.427 -3.287 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.712 -4.103 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.608 -4.334 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.793 -3.006 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.386 -2.278 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.460 -1.053 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.050 -1.120 -0.424 1.00 0.00 H new ATOM 278 N GLU A 19 -17.732 -3.579 3.842 1.00 0.00 N ATOM 279 CA GLU A 19 -16.903 -4.584 4.496 1.00 0.00 C ATOM 280 C GLU A 19 -17.137 -5.948 3.888 1.00 0.00 C ATOM 281 O GLU A 19 -18.272 -6.327 3.590 1.00 0.00 O ATOM 282 CB GLU A 19 -17.147 -4.621 5.994 1.00 0.00 C ATOM 283 CG GLU A 19 -16.259 -5.605 6.681 1.00 0.00 C ATOM 284 CD GLU A 19 -16.367 -5.563 8.192 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.899 -4.579 8.804 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.933 -6.509 8.780 1.00 0.00 O ATOM 0 H GLU A 19 -18.626 -3.400 4.300 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.862 -4.305 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.981 -3.629 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.189 -4.878 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.505 -6.609 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.225 -5.413 6.393 1.00 0.00 H new ATOM 293 N ILE A 20 -16.048 -6.685 3.708 1.00 0.00 N ATOM 294 CA ILE A 20 -16.065 -7.849 2.851 1.00 0.00 C ATOM 295 C ILE A 20 -15.199 -8.997 3.365 1.00 0.00 C ATOM 296 O ILE A 20 -14.374 -8.828 4.266 1.00 0.00 O ATOM 297 CB ILE A 20 -15.530 -7.489 1.471 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.066 -7.218 1.576 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.222 -6.258 0.923 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.313 -7.511 0.319 1.00 0.00 C ATOM 0 H ILE A 20 -15.147 -6.493 4.146 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.105 -8.173 2.825 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.720 -8.323 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.917 -6.172 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.651 -7.817 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.821 -6.024 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.292 -6.447 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -16.051 -5.416 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.256 -7.291 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.432 -8.563 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.701 -6.893 -0.490 1.00 0.00 H new ATOM 312 N VAL A 21 -15.400 -10.163 2.762 1.00 0.00 N ATOM 313 CA VAL A 21 -14.433 -11.239 2.809 1.00 0.00 C ATOM 314 C VAL A 21 -14.016 -11.555 1.383 1.00 0.00 C ATOM 315 O VAL A 21 -14.680 -12.290 0.654 1.00 0.00 O ATOM 316 CB VAL A 21 -14.967 -12.511 3.492 1.00 0.00 C ATOM 317 CG1 VAL A 21 -13.875 -13.568 3.580 1.00 0.00 C ATOM 318 CG2 VAL A 21 -15.518 -12.194 4.868 1.00 0.00 C ATOM 0 H VAL A 21 -16.241 -10.383 2.228 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.588 -10.907 3.411 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.781 -12.907 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -14.270 -14.460 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.533 -13.822 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.038 -13.179 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -15.889 -13.108 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.728 -11.769 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.333 -11.476 4.777 1.00 0.00 H new ATOM 328 N PRO A 22 -12.917 -10.936 0.995 1.00 0.00 N ATOM 329 CA PRO A 22 -12.436 -10.843 -0.385 1.00 0.00 C ATOM 330 C PRO A 22 -12.205 -12.149 -1.130 1.00 0.00 C ATOM 331 O PRO A 22 -12.192 -13.243 -0.566 1.00 0.00 O ATOM 332 CB PRO A 22 -11.106 -10.112 -0.245 1.00 0.00 C ATOM 333 CG PRO A 22 -10.777 -10.128 1.201 1.00 0.00 C ATOM 334 CD PRO A 22 -12.059 -10.198 1.910 1.00 0.00 C ATOM 0 HA PRO A 22 -13.204 -10.355 -0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.327 -10.605 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.182 -9.090 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.148 -10.983 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.223 -9.233 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.960 -10.710 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.456 -9.205 2.119 1.00 0.00 H new ATOM 342 N ARG A 23 -11.949 -11.958 -2.418 1.00 0.00 N ATOM 343 CA ARG A 23 -11.681 -12.993 -3.364 1.00 0.00 C ATOM 344 C ARG A 23 -10.185 -13.019 -3.587 1.00 0.00 C ATOM 345 O ARG A 23 -9.673 -12.924 -4.703 1.00 0.00 O ATOM 346 CB ARG A 23 -12.463 -12.699 -4.620 1.00 0.00 C ATOM 347 CG ARG A 23 -13.961 -12.889 -4.449 1.00 0.00 C ATOM 348 CD ARG A 23 -14.729 -12.370 -5.640 1.00 0.00 C ATOM 349 NE ARG A 23 -16.145 -12.713 -5.567 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.067 -12.276 -6.421 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.724 -11.495 -7.441 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.334 -12.627 -6.261 1.00 0.00 N ATOM 0 H ARG A 23 -11.925 -11.027 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.990 -13.979 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.266 -11.673 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.110 -13.348 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.180 -13.947 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.293 -12.372 -3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.621 -11.287 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.302 -12.782 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.448 -13.328 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.749 -11.227 -7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.436 -11.164 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.602 -13.231 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.042 -12.293 -6.915 1.00 0.00 H new ATOM 366 N LEU A 24 -9.545 -12.996 -2.431 1.00 0.00 N ATOM 367 CA LEU A 24 -8.107 -13.160 -2.194 1.00 0.00 C ATOM 368 C LEU A 24 -7.275 -13.588 -3.418 1.00 0.00 C ATOM 369 O LEU A 24 -6.282 -12.925 -3.704 1.00 0.00 O ATOM 370 CB LEU A 24 -7.916 -14.144 -1.025 1.00 0.00 C ATOM 371 CG LEU A 24 -6.837 -13.796 0.009 1.00 0.00 C ATOM 372 CD1 LEU A 24 -5.454 -13.828 -0.613 1.00 0.00 C ATOM 373 CD2 LEU A 24 -7.113 -12.439 0.643 1.00 0.00 C ATOM 0 H LEU A 24 -10.052 -12.851 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.718 -12.171 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.868 -14.238 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.683 -15.124 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.869 -14.552 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.709 -13.578 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.254 -14.826 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.404 -13.104 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.335 -12.213 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.119 -11.671 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.082 -12.460 1.141 1.00 0.00 H new ATOM 385 N PRO A 25 -7.615 -14.703 -4.125 1.00 0.00 N ATOM 386 CA PRO A 25 -6.957 -15.093 -5.369 1.00 0.00 C ATOM 387 C PRO A 25 -6.532 -13.918 -6.260 1.00 0.00 C ATOM 388 O PRO A 25 -5.525 -13.995 -6.963 1.00 0.00 O ATOM 389 CB PRO A 25 -8.022 -15.919 -6.057 1.00 0.00 C ATOM 390 CG PRO A 25 -8.696 -16.633 -4.943 1.00 0.00 C ATOM 391 CD PRO A 25 -8.616 -15.718 -3.747 1.00 0.00 C ATOM 0 HA PRO A 25 -6.019 -15.613 -5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.721 -15.290 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.586 -16.616 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.733 -16.855 -5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.206 -17.585 -4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.582 -15.262 -3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.313 -16.261 -2.852 1.00 0.00 H new ATOM 399 N ASP A 26 -7.313 -12.845 -6.239 1.00 0.00 N ATOM 400 CA ASP A 26 -6.991 -11.641 -6.992 1.00 0.00 C ATOM 401 C ASP A 26 -6.904 -10.425 -6.084 1.00 0.00 C ATOM 402 O ASP A 26 -6.340 -9.396 -6.452 1.00 0.00 O ATOM 403 CB ASP A 26 -8.078 -11.390 -8.006 1.00 0.00 C ATOM 404 CG ASP A 26 -7.587 -11.456 -9.438 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.603 -12.555 -10.028 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.188 -10.406 -9.987 1.00 0.00 O ATOM 0 H ASP A 26 -8.180 -12.785 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.025 -11.793 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.872 -12.124 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.516 -10.409 -7.824 1.00 0.00 H new ATOM 411 N TYR A 27 -7.500 -10.567 -4.907 1.00 0.00 N ATOM 412 CA TYR A 27 -7.640 -9.480 -3.932 1.00 0.00 C ATOM 413 C TYR A 27 -8.678 -8.490 -4.402 1.00 0.00 C ATOM 414 O TYR A 27 -8.448 -7.288 -4.471 1.00 0.00 O ATOM 415 CB TYR A 27 -6.329 -8.764 -3.645 1.00 0.00 C ATOM 416 CG TYR A 27 -5.348 -9.615 -2.896 1.00 0.00 C ATOM 417 CD1 TYR A 27 -5.429 -9.718 -1.521 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.350 -10.314 -3.555 1.00 0.00 C ATOM 419 CE1 TYR A 27 -4.542 -10.492 -0.815 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.450 -11.092 -2.855 1.00 0.00 C ATOM 421 CZ TYR A 27 -3.552 -11.180 -1.483 1.00 0.00 C ATOM 422 OH TYR A 27 -2.654 -11.944 -0.777 1.00 0.00 O ATOM 0 H TYR A 27 -7.906 -11.449 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.960 -9.938 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.881 -8.446 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.533 -7.862 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.203 -9.181 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.275 -10.249 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.620 -10.562 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.672 -11.628 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.022 -12.363 -1.398 1.00 0.00 H new ATOM 432 N ILE A 28 -9.828 -9.037 -4.697 1.00 0.00 N ATOM 433 CA ILE A 28 -10.986 -8.274 -5.112 1.00 0.00 C ATOM 434 C ILE A 28 -11.986 -8.301 -3.995 1.00 0.00 C ATOM 435 O ILE A 28 -11.903 -9.145 -3.101 1.00 0.00 O ATOM 436 CB ILE A 28 -11.667 -8.830 -6.390 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.149 -10.238 -6.700 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.415 -7.889 -7.556 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.111 -11.112 -7.464 1.00 0.00 C ATOM 0 H ILE A 28 -9.994 -10.043 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.644 -7.265 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.742 -8.897 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.225 -10.152 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.898 -10.732 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.895 -8.283 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.827 -6.906 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.342 -7.802 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.657 -12.088 -7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.028 -11.235 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.344 -10.646 -8.421 1.00 0.00 H new ATOM 451 N CYS A 29 -12.942 -7.422 -4.049 1.00 0.00 N ATOM 452 CA CYS A 29 -13.967 -7.425 -3.060 1.00 0.00 C ATOM 453 C CYS A 29 -15.121 -8.241 -3.619 1.00 0.00 C ATOM 454 O CYS A 29 -15.426 -8.178 -4.793 1.00 0.00 O ATOM 455 CB CYS A 29 -14.352 -5.984 -2.694 1.00 0.00 C ATOM 456 SG CYS A 29 -14.978 -4.948 -4.043 1.00 0.00 S ATOM 0 H CYS A 29 -13.030 -6.700 -4.764 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.638 -7.882 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.111 -6.021 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.477 -5.495 -2.266 1.00 0.00 H new ATOM 0 HG CYS A 29 -16.212 -4.620 -3.801 1.00 0.00 H new ATOM 461 N PRO A 30 -15.739 -9.057 -2.784 1.00 0.00 N ATOM 462 CA PRO A 30 -16.656 -10.104 -3.213 1.00 0.00 C ATOM 463 C PRO A 30 -17.977 -9.486 -3.533 1.00 0.00 C ATOM 464 O PRO A 30 -18.766 -9.982 -4.331 1.00 0.00 O ATOM 465 CB PRO A 30 -16.764 -10.975 -1.962 1.00 0.00 C ATOM 466 CG PRO A 30 -16.634 -9.996 -0.845 1.00 0.00 C ATOM 467 CD PRO A 30 -15.668 -8.957 -1.339 1.00 0.00 C ATOM 0 HA PRO A 30 -16.336 -10.657 -4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.716 -11.505 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.978 -11.729 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.598 -9.551 -0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.264 -10.478 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.946 -7.961 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.658 -9.149 -0.976 1.00 0.00 H new ATOM 475 N ARG A 31 -18.171 -8.363 -2.889 1.00 0.00 N ATOM 476 CA ARG A 31 -19.420 -7.653 -2.975 1.00 0.00 C ATOM 477 C ARG A 31 -19.554 -6.834 -4.243 1.00 0.00 C ATOM 478 O ARG A 31 -20.659 -6.614 -4.739 1.00 0.00 O ATOM 479 CB ARG A 31 -19.597 -6.799 -1.778 1.00 0.00 C ATOM 480 CG ARG A 31 -19.799 -7.666 -0.586 1.00 0.00 C ATOM 481 CD ARG A 31 -20.078 -6.869 0.668 1.00 0.00 C ATOM 482 NE ARG A 31 -20.265 -7.725 1.835 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.314 -7.653 2.652 1.00 0.00 C ATOM 484 NH1 ARG A 31 -22.316 -6.819 2.393 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.367 -8.426 3.727 1.00 0.00 N ATOM 0 H ARG A 31 -17.472 -7.918 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.212 -8.401 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.723 -6.164 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -20.453 -6.138 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.630 -8.347 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.912 -8.280 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.251 -6.183 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.970 -6.261 0.519 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.548 -8.422 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.285 -6.227 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.116 -6.771 3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.605 -9.074 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.169 -8.373 4.354 1.00 0.00 H new ATOM 499 N CYS A 32 -18.425 -6.388 -4.769 1.00 0.00 N ATOM 500 CA CYS A 32 -18.446 -5.426 -5.854 1.00 0.00 C ATOM 501 C CYS A 32 -17.144 -5.443 -6.676 1.00 0.00 C ATOM 502 O CYS A 32 -16.924 -4.565 -7.511 1.00 0.00 O ATOM 503 CB CYS A 32 -18.739 -4.041 -5.260 1.00 0.00 C ATOM 504 SG CYS A 32 -18.493 -3.945 -3.459 1.00 0.00 S ATOM 0 H CYS A 32 -17.494 -6.673 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.232 -5.694 -6.560 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.097 -3.305 -5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.768 -3.767 -5.492 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.594 -3.045 -3.191 1.00 0.00 H new ATOM 509 N GLU A 33 -16.288 -6.445 -6.422 1.00 0.00 N ATOM 510 CA GLU A 33 -15.141 -6.775 -7.279 1.00 0.00 C ATOM 511 C GLU A 33 -14.273 -5.567 -7.636 1.00 0.00 C ATOM 512 O GLU A 33 -14.166 -5.164 -8.799 1.00 0.00 O ATOM 513 CB GLU A 33 -15.602 -7.508 -8.530 1.00 0.00 C ATOM 514 CG GLU A 33 -14.529 -8.415 -9.090 1.00 0.00 C ATOM 515 CD GLU A 33 -14.929 -9.075 -10.387 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.704 -8.475 -11.459 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.463 -10.201 -10.343 1.00 0.00 O ATOM 0 H GLU A 33 -16.374 -7.054 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.501 -7.435 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.489 -8.098 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.893 -6.781 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.619 -7.836 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.293 -9.185 -8.355 1.00 0.00 H new ATOM 524 N SER A 34 -13.670 -4.999 -6.610 1.00 0.00 N ATOM 525 CA SER A 34 -12.637 -3.995 -6.756 1.00 0.00 C ATOM 526 C SER A 34 -11.483 -4.361 -5.827 1.00 0.00 C ATOM 527 O SER A 34 -11.710 -4.941 -4.765 1.00 0.00 O ATOM 528 CB SER A 34 -13.177 -2.628 -6.418 1.00 0.00 C ATOM 529 OG SER A 34 -14.577 -2.549 -6.649 1.00 0.00 O ATOM 0 H SER A 34 -13.887 -5.225 -5.639 1.00 0.00 H new ATOM 0 HA SER A 34 -12.288 -3.965 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.966 -2.401 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.665 -1.875 -7.017 1.00 0.00 H new ATOM 0 HG SER A 34 -15.016 -2.159 -5.865 1.00 0.00 H new ATOM 535 N GLY A 35 -10.258 -4.037 -6.220 1.00 0.00 N ATOM 536 CA GLY A 35 -9.095 -4.528 -5.494 1.00 0.00 C ATOM 537 C GLY A 35 -8.658 -3.635 -4.348 1.00 0.00 C ATOM 538 O GLY A 35 -7.621 -3.875 -3.725 1.00 0.00 O ATOM 0 H GLY A 35 -10.046 -3.446 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.317 -5.521 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.265 -4.639 -6.191 1.00 0.00 H new ATOM 542 N PHE A 36 -9.444 -2.613 -4.053 1.00 0.00 N ATOM 543 CA PHE A 36 -9.104 -1.676 -2.989 1.00 0.00 C ATOM 544 C PHE A 36 -9.531 -2.202 -1.625 1.00 0.00 C ATOM 545 O PHE A 36 -10.325 -1.568 -0.927 1.00 0.00 O ATOM 546 CB PHE A 36 -9.760 -0.325 -3.237 1.00 0.00 C ATOM 547 CG PHE A 36 -9.120 0.482 -4.326 1.00 0.00 C ATOM 548 CD1 PHE A 36 -9.545 0.369 -5.640 1.00 0.00 C ATOM 549 CD2 PHE A 36 -8.106 1.372 -4.026 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.963 1.132 -6.634 1.00 0.00 C ATOM 551 CE2 PHE A 36 -7.526 2.139 -5.013 1.00 0.00 C ATOM 552 CZ PHE A 36 -7.953 2.019 -6.318 1.00 0.00 C ATOM 0 H PHE A 36 -10.321 -2.409 -4.533 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.020 -1.561 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.809 -0.484 -3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.737 0.252 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.338 -0.321 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.764 1.467 -3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.297 1.035 -7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.737 2.834 -4.764 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.498 2.618 -7.093 1.00 0.00 H new ATOM 562 N ILE A 37 -9.007 -3.352 -1.251 1.00 0.00 N ATOM 563 CA ILE A 37 -9.303 -3.930 0.047 1.00 0.00 C ATOM 564 C ILE A 37 -8.087 -3.949 0.942 1.00 0.00 C ATOM 565 O ILE A 37 -6.968 -4.194 0.489 1.00 0.00 O ATOM 566 CB ILE A 37 -9.840 -5.357 -0.061 1.00 0.00 C ATOM 567 CG1 ILE A 37 -8.993 -6.209 -1.001 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.278 -5.329 -0.486 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.616 -7.547 -1.324 1.00 0.00 C ATOM 0 H ILE A 37 -8.373 -3.906 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.071 -3.290 0.482 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.778 -5.824 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.829 -5.660 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.014 -6.372 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.655 -6.349 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.864 -4.779 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.361 -4.839 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.961 -8.101 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.755 -8.115 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.582 -7.392 -1.805 1.00 0.00 H new ATOM 581 N GLU A 38 -8.323 -3.681 2.206 1.00 0.00 N ATOM 582 CA GLU A 38 -7.318 -3.835 3.234 1.00 0.00 C ATOM 583 C GLU A 38 -7.927 -4.656 4.348 1.00 0.00 C ATOM 584 O GLU A 38 -9.151 -4.693 4.500 1.00 0.00 O ATOM 585 CB GLU A 38 -6.865 -2.463 3.752 1.00 0.00 C ATOM 586 CG GLU A 38 -7.902 -1.758 4.610 1.00 0.00 C ATOM 587 CD GLU A 38 -7.587 -0.300 4.843 1.00 0.00 C ATOM 588 OE1 GLU A 38 -8.035 0.544 4.040 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.908 0.014 5.843 1.00 0.00 O ATOM 0 H GLU A 38 -9.223 -3.348 2.552 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.437 -4.337 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.951 -2.588 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.618 -1.828 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.878 -1.841 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.975 -2.266 5.572 1.00 0.00 H new ATOM 596 N GLU A 39 -7.096 -5.347 5.091 1.00 0.00 N ATOM 597 CA GLU A 39 -7.582 -6.126 6.201 1.00 0.00 C ATOM 598 C GLU A 39 -7.707 -5.235 7.418 1.00 0.00 C ATOM 599 O GLU A 39 -6.898 -4.328 7.625 1.00 0.00 O ATOM 600 CB GLU A 39 -6.652 -7.300 6.479 1.00 0.00 C ATOM 601 CG GLU A 39 -7.029 -8.082 7.705 1.00 0.00 C ATOM 602 CD GLU A 39 -6.060 -9.194 8.014 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.957 -8.900 8.518 1.00 0.00 O ATOM 604 OE2 GLU A 39 -6.391 -10.365 7.753 1.00 0.00 O ATOM 0 H GLU A 39 -6.087 -5.385 4.948 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.563 -6.533 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.653 -7.967 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.634 -6.928 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.082 -7.406 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.025 -8.503 7.569 1.00 0.00 H new ATOM 611 N LEU A 40 -8.730 -5.487 8.199 1.00 0.00 N ATOM 612 CA LEU A 40 -9.048 -4.647 9.330 1.00 0.00 C ATOM 613 C LEU A 40 -8.523 -5.279 10.607 1.00 0.00 C ATOM 614 O LEU A 40 -9.313 -5.933 11.320 1.00 0.00 O ATOM 615 CB LEU A 40 -10.559 -4.470 9.395 1.00 0.00 C ATOM 616 CG LEU A 40 -11.229 -4.327 8.029 1.00 0.00 C ATOM 617 CD1 LEU A 40 -12.730 -4.436 8.167 1.00 0.00 C ATOM 618 CD2 LEU A 40 -10.845 -3.012 7.371 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.313 -5.152 10.878 1.00 0.00 O ATOM 0 H LEU A 40 -9.363 -6.276 8.070 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.576 -3.671 9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.992 -5.326 9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.785 -3.587 9.993 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.879 -5.137 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.194 -4.332 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.987 -5.408 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.093 -3.647 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.335 -2.934 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.160 -2.183 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.764 -2.975 7.236 1.00 0.00 H new ATOM 855 N MET C 16 15.999 -2.945 -7.194 1.00 0.00 N ATOM 856 CA MET C 16 15.022 -2.151 -7.928 1.00 0.00 C ATOM 857 C MET C 16 13.717 -2.919 -8.117 1.00 0.00 C ATOM 858 O MET C 16 13.669 -3.926 -8.822 1.00 0.00 O ATOM 859 CB MET C 16 15.575 -1.694 -9.289 1.00 0.00 C ATOM 860 CG MET C 16 16.055 -2.816 -10.199 1.00 0.00 C ATOM 861 SD MET C 16 16.687 -2.196 -11.771 1.00 0.00 S ATOM 862 CE MET C 16 17.144 -3.724 -12.582 1.00 0.00 C ATOM 0 HA MET C 16 14.815 -1.263 -7.331 1.00 0.00 H new ATOM 0 HB2 MET C 16 14.799 -1.132 -9.809 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.404 -1.008 -9.115 1.00 0.00 H new ATOM 0 HG2 MET C 16 16.837 -3.382 -9.693 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.232 -3.506 -10.387 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.553 -3.504 -13.568 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.895 -4.242 -11.985 1.00 0.00 H new ATOM 0 HE3 MET C 16 16.263 -4.358 -12.687 1.00 0.00 H new ATOM 872 N LEU C 17 12.661 -2.461 -7.453 1.00 0.00 N ATOM 873 CA LEU C 17 11.329 -2.987 -7.710 1.00 0.00 C ATOM 874 C LEU C 17 10.547 -1.990 -8.531 1.00 0.00 C ATOM 875 O LEU C 17 10.535 -0.795 -8.221 1.00 0.00 O ATOM 876 CB LEU C 17 10.550 -3.257 -6.445 1.00 0.00 C ATOM 877 CG LEU C 17 11.335 -3.589 -5.191 1.00 0.00 C ATOM 878 CD1 LEU C 17 10.497 -3.220 -3.988 1.00 0.00 C ATOM 879 CD2 LEU C 17 11.690 -5.065 -5.147 1.00 0.00 C ATOM 0 H LEU C 17 12.702 -1.733 -6.739 1.00 0.00 H new ATOM 0 HA LEU C 17 11.462 -3.932 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU C 17 9.937 -2.380 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU C 17 9.867 -4.083 -6.642 1.00 0.00 H new ATOM 0 HG LEU C 17 12.267 -3.023 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.047 -3.453 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.272 -2.154 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU C 17 9.566 -3.787 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.253 -5.277 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU C 17 10.776 -5.659 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.296 -5.320 -6.016 1.00 0.00 H new ATOM 891 N GLU C 18 9.894 -2.468 -9.570 1.00 0.00 N ATOM 892 CA GLU C 18 9.030 -1.651 -10.345 1.00 0.00 C ATOM 893 C GLU C 18 7.709 -1.533 -9.636 1.00 0.00 C ATOM 894 O GLU C 18 6.853 -2.408 -9.728 1.00 0.00 O ATOM 895 CB GLU C 18 8.879 -2.283 -11.685 1.00 0.00 C ATOM 896 CG GLU C 18 10.105 -2.168 -12.572 1.00 0.00 C ATOM 897 CD GLU C 18 10.071 -3.158 -13.712 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.511 -4.311 -13.512 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.587 -2.800 -14.804 1.00 0.00 O ATOM 0 H GLU C 18 9.958 -3.435 -9.888 1.00 0.00 H new ATOM 0 HA GLU C 18 9.434 -0.647 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU C 18 8.640 -3.338 -11.551 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.031 -1.826 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU C 18 10.170 -1.156 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.002 -2.333 -11.975 1.00 0.00 H new ATOM 906 N VAL C 19 7.565 -0.460 -8.906 1.00 0.00 N ATOM 907 CA VAL C 19 6.436 -0.291 -8.052 1.00 0.00 C ATOM 908 C VAL C 19 5.262 0.205 -8.861 1.00 0.00 C ATOM 909 O VAL C 19 5.232 1.338 -9.297 1.00 0.00 O ATOM 910 CB VAL C 19 6.786 0.685 -6.919 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.553 1.362 -6.360 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.504 -0.034 -5.802 1.00 0.00 C ATOM 0 H VAL C 19 8.228 0.315 -8.891 1.00 0.00 H new ATOM 0 HA VAL C 19 6.163 -1.246 -7.603 1.00 0.00 H new ATOM 0 HB VAL C 19 7.437 1.448 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.843 2.044 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.055 1.921 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL C 19 4.872 0.608 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.744 0.674 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL C 19 6.863 -0.821 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.424 -0.475 -6.185 1.00 0.00 H new ATOM 922 N LEU C 20 4.335 -0.669 -9.128 1.00 0.00 N ATOM 923 CA LEU C 20 3.118 -0.263 -9.779 1.00 0.00 C ATOM 924 C LEU C 20 2.122 0.028 -8.669 1.00 0.00 C ATOM 925 O LEU C 20 2.148 -0.645 -7.650 1.00 0.00 O ATOM 926 CB LEU C 20 2.613 -1.370 -10.717 1.00 0.00 C ATOM 927 CG LEU C 20 3.665 -2.350 -11.265 1.00 0.00 C ATOM 928 CD1 LEU C 20 2.997 -3.426 -12.107 1.00 0.00 C ATOM 929 CD2 LEU C 20 4.721 -1.637 -12.088 1.00 0.00 C ATOM 0 H LEU C 20 4.395 -1.663 -8.907 1.00 0.00 H new ATOM 0 HA LEU C 20 3.268 0.619 -10.401 1.00 0.00 H new ATOM 0 HB2 LEU C 20 1.856 -1.947 -10.185 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.116 -0.897 -11.564 1.00 0.00 H new ATOM 0 HG LEU C 20 4.158 -2.812 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU C 20 3.754 -4.112 -12.488 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.283 -3.977 -11.494 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.474 -2.961 -12.943 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.446 -2.363 -12.457 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.247 -1.135 -12.932 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.230 -0.900 -11.467 1.00 0.00 H new ATOM 941 N VAL C 21 1.298 1.054 -8.820 1.00 0.00 N ATOM 942 CA VAL C 21 0.421 1.501 -7.734 1.00 0.00 C ATOM 943 C VAL C 21 -0.890 2.069 -8.292 1.00 0.00 C ATOM 944 O VAL C 21 -0.881 3.059 -9.016 1.00 0.00 O ATOM 945 CB VAL C 21 1.136 2.585 -6.877 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.219 3.192 -5.838 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.361 2.008 -6.200 1.00 0.00 C ATOM 0 H VAL C 21 1.214 1.596 -9.680 1.00 0.00 H new ATOM 0 HA VAL C 21 0.191 0.639 -7.108 1.00 0.00 H new ATOM 0 HB VAL C 21 1.437 3.379 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.764 3.943 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.632 3.660 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.137 2.411 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.847 2.782 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.064 1.185 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.056 1.641 -6.956 1.00 0.00 H new ATOM 957 N LYS C 22 -2.009 1.443 -7.947 1.00 0.00 N ATOM 958 CA LYS C 22 -3.321 1.885 -8.401 1.00 0.00 C ATOM 959 C LYS C 22 -4.004 2.679 -7.304 1.00 0.00 C ATOM 960 O LYS C 22 -4.306 2.137 -6.242 1.00 0.00 O ATOM 961 CB LYS C 22 -4.243 0.704 -8.746 1.00 0.00 C ATOM 962 CG LYS C 22 -3.714 -0.275 -9.777 1.00 0.00 C ATOM 963 CD LYS C 22 -4.829 -1.186 -10.284 1.00 0.00 C ATOM 964 CE LYS C 22 -4.459 -1.884 -11.590 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.480 -2.885 -11.996 1.00 0.00 N ATOM 0 H LYS C 22 -2.032 0.618 -7.347 1.00 0.00 H new ATOM 0 HA LYS C 22 -3.156 2.489 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.456 0.155 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -5.191 1.103 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -3.277 0.271 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.918 -0.877 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -5.056 -1.936 -9.526 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -5.735 -0.599 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -4.347 -1.140 -12.379 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -3.493 -2.377 -11.477 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -5.190 -3.335 -12.887 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.570 -3.610 -11.255 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.396 -2.412 -12.130 1.00 0.00 H new ATOM 979 N THR C 23 -4.237 3.951 -7.540 1.00 0.00 N ATOM 980 CA THR C 23 -5.063 4.724 -6.636 1.00 0.00 C ATOM 981 C THR C 23 -6.475 4.809 -7.207 1.00 0.00 C ATOM 982 O THR C 23 -6.774 4.169 -8.218 1.00 0.00 O ATOM 983 CB THR C 23 -4.501 6.144 -6.383 1.00 0.00 C ATOM 984 OG1 THR C 23 -5.172 7.110 -7.194 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.016 6.200 -6.683 1.00 0.00 C ATOM 0 H THR C 23 -3.872 4.468 -8.340 1.00 0.00 H new ATOM 0 HA THR C 23 -5.072 4.217 -5.671 1.00 0.00 H new ATOM 0 HB THR C 23 -4.667 6.375 -5.331 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.802 8.000 -7.016 1.00 0.00 H new ATOM 0 HG21 THR C 23 -2.645 7.208 -6.497 1.00 0.00 H new ATOM 0 HG22 THR C 23 -2.488 5.495 -6.041 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.846 5.937 -7.727 1.00 0.00 H new ATOM 1052 N THR C 28 -3.240 3.357 -11.495 1.00 0.00 N ATOM 1053 CA THR C 28 -1.970 2.704 -11.796 1.00 0.00 C ATOM 1054 C THR C 28 -0.894 3.662 -12.289 1.00 0.00 C ATOM 1055 O THR C 28 -0.894 4.105 -13.440 1.00 0.00 O ATOM 1056 CB THR C 28 -2.135 1.592 -12.847 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.201 0.715 -12.485 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.836 0.810 -12.990 1.00 0.00 C ATOM 0 HA THR C 28 -1.648 2.283 -10.844 1.00 0.00 H new ATOM 0 HB THR C 28 -2.377 2.053 -13.805 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.923 1.232 -12.071 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.964 0.026 -13.736 1.00 0.00 H new ATOM 0 HG22 THR C 28 -0.039 1.483 -13.304 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.575 0.360 -12.032 1.00 0.00 H new ATOM 1066 N ARG C 29 -0.012 3.996 -11.381 1.00 0.00 N ATOM 1067 CA ARG C 29 1.236 4.670 -11.714 1.00 0.00 C ATOM 1068 C ARG C 29 2.406 3.893 -11.129 1.00 0.00 C ATOM 1069 O ARG C 29 2.242 3.167 -10.155 1.00 0.00 O ATOM 1070 CB ARG C 29 1.265 6.095 -11.181 1.00 0.00 C ATOM 1071 CG ARG C 29 0.175 6.990 -11.714 1.00 0.00 C ATOM 1072 CD ARG C 29 0.363 8.420 -11.238 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.706 9.304 -11.697 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.542 10.599 -11.965 1.00 0.00 C ATOM 1075 NH1 ARG C 29 0.662 11.154 -11.890 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.584 11.338 -12.322 1.00 0.00 N ATOM 0 H ARG C 29 -0.131 3.812 -10.385 1.00 0.00 H new ATOM 0 HA ARG C 29 1.313 4.712 -12.800 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.191 6.063 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.231 6.539 -11.422 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.177 6.962 -12.804 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.797 6.619 -11.388 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.401 8.436 -10.149 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.321 8.796 -11.596 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.636 8.905 -11.820 1.00 0.00 H new ATOM 0 HH11 ARG C 29 1.469 10.588 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG C 29 0.780 12.146 -12.097 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -2.510 10.915 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -1.460 12.329 -12.527 1.00 0.00 H new ATOM 1090 N THR C 30 3.575 4.034 -11.726 1.00 0.00 N ATOM 1091 CA THR C 30 4.736 3.321 -11.311 1.00 0.00 C ATOM 1092 C THR C 30 5.699 4.198 -10.504 1.00 0.00 C ATOM 1093 O THR C 30 5.899 5.371 -10.825 1.00 0.00 O ATOM 1094 CB THR C 30 5.423 2.797 -12.557 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.354 3.770 -13.608 1.00 0.00 O ATOM 1096 CG2 THR C 30 4.795 1.502 -13.018 1.00 0.00 C ATOM 0 H THR C 30 3.731 4.656 -12.519 1.00 0.00 H new ATOM 0 HA THR C 30 4.437 2.505 -10.653 1.00 0.00 H new ATOM 0 HB THR C 30 6.468 2.606 -12.311 1.00 0.00 H new ATOM 0 HG1 THR C 30 5.802 3.421 -14.407 1.00 0.00 H new ATOM 0 HG21 THR C 30 5.306 1.148 -13.913 1.00 0.00 H new ATOM 0 HG22 THR C 30 4.883 0.754 -12.230 1.00 0.00 H new ATOM 0 HG23 THR C 30 3.742 1.669 -13.244 1.00 0.00 H new ATOM 1104 N PHE C 31 6.313 3.606 -9.476 1.00 0.00 N ATOM 1105 CA PHE C 31 7.145 4.335 -8.522 1.00 0.00 C ATOM 1106 C PHE C 31 8.386 3.540 -8.208 1.00 0.00 C ATOM 1107 O PHE C 31 8.629 3.163 -7.064 1.00 0.00 O ATOM 1108 CB PHE C 31 6.388 4.582 -7.228 1.00 0.00 C ATOM 1109 CG PHE C 31 5.133 5.324 -7.423 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.162 6.474 -8.157 1.00 0.00 C ATOM 1111 CD2 PHE C 31 3.951 4.904 -6.850 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.022 7.221 -8.333 1.00 0.00 C ATOM 1113 CE2 PHE C 31 2.796 5.632 -7.023 1.00 0.00 C ATOM 1114 CZ PHE C 31 2.827 6.799 -7.769 1.00 0.00 C ATOM 0 H PHE C 31 6.246 2.607 -9.284 1.00 0.00 H new ATOM 0 HA PHE C 31 7.415 5.290 -8.972 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.167 3.625 -6.756 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.027 5.136 -6.541 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.090 6.800 -8.604 1.00 0.00 H new ATOM 0 HD2 PHE C 31 3.932 3.998 -6.262 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.056 8.134 -8.909 1.00 0.00 H new ATOM 0 HE2 PHE C 31 1.870 5.295 -6.580 1.00 0.00 H new ATOM 0 HZ PHE C 31 1.926 7.377 -7.911 1.00 0.00 H new ATOM 1124 N ILE C 32 9.143 3.270 -9.234 1.00 0.00 N ATOM 1125 CA ILE C 32 10.295 2.409 -9.129 1.00 0.00 C ATOM 1126 C ILE C 32 11.290 2.822 -8.075 1.00 0.00 C ATOM 1127 O ILE C 32 11.801 3.942 -8.036 1.00 0.00 O ATOM 1128 CB ILE C 32 10.973 2.242 -10.472 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.034 1.523 -11.330 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.202 1.397 -10.353 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.315 2.339 -12.375 1.00 0.00 C ATOM 0 H ILE C 32 8.981 3.640 -10.171 1.00 0.00 H new ATOM 0 HA ILE C 32 9.904 1.447 -8.799 1.00 0.00 H new ATOM 0 HB ILE C 32 11.251 3.220 -10.864 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.577 0.724 -11.835 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.287 1.048 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.669 1.294 -11.333 1.00 0.00 H new ATOM 0 HG22 ILE C 32 12.903 1.869 -9.665 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.931 0.411 -9.975 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.648 1.693 -12.946 1.00 0.00 H new ATOM 0 HD12 ILE C 32 8.733 3.122 -11.888 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.043 2.793 -13.047 1.00 0.00 H new ATOM 1143 N VAL C 33 11.543 1.851 -7.236 1.00 0.00 N ATOM 1144 CA VAL C 33 12.419 1.993 -6.080 1.00 0.00 C ATOM 1145 C VAL C 33 13.396 0.852 -5.987 1.00 0.00 C ATOM 1146 O VAL C 33 13.510 0.046 -6.897 1.00 0.00 O ATOM 1147 CB VAL C 33 11.605 2.032 -4.786 1.00 0.00 C ATOM 1148 CG1 VAL C 33 10.863 3.316 -4.734 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.643 0.860 -4.721 1.00 0.00 C ATOM 0 H VAL C 33 11.143 0.918 -7.331 1.00 0.00 H new ATOM 0 HA VAL C 33 12.964 2.928 -6.209 1.00 0.00 H new ATOM 0 HB VAL C 33 12.275 1.957 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.276 3.360 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.570 4.146 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.197 3.386 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.074 0.907 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL C 33 9.959 0.903 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.204 -0.074 -4.755 1.00 0.00 H new ATOM 1159 N GLY C 34 14.075 0.779 -4.861 1.00 0.00 N ATOM 1160 CA GLY C 34 15.111 -0.221 -4.697 1.00 0.00 C ATOM 1161 C GLY C 34 14.894 -1.158 -3.527 1.00 0.00 C ATOM 1162 O GLY C 34 15.833 -1.467 -2.801 1.00 0.00 O ATOM 0 H GLY C 34 13.932 1.390 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.179 -0.810 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.069 0.283 -4.571 1.00 0.00 H new ATOM 1166 N ALA C 35 13.646 -1.580 -3.330 1.00 0.00 N ATOM 1167 CA ALA C 35 13.298 -2.675 -2.410 1.00 0.00 C ATOM 1168 C ALA C 35 13.464 -2.350 -0.928 1.00 0.00 C ATOM 1169 O ALA C 35 12.749 -2.888 -0.086 1.00 0.00 O ATOM 1170 CB ALA C 35 14.083 -3.926 -2.768 1.00 0.00 C ATOM 0 H ALA C 35 12.840 -1.173 -3.804 1.00 0.00 H new ATOM 0 HA ALA C 35 12.229 -2.841 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA C 35 13.819 -4.730 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA C 35 13.844 -4.226 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.151 -3.720 -2.691 1.00 0.00 H new ATOM 1176 N GLN C 36 14.373 -1.468 -0.612 1.00 0.00 N ATOM 1177 CA GLN C 36 14.714 -1.171 0.762 1.00 0.00 C ATOM 1178 C GLN C 36 15.255 0.225 0.772 1.00 0.00 C ATOM 1179 O GLN C 36 16.034 0.631 1.634 1.00 0.00 O ATOM 1180 CB GLN C 36 15.747 -2.173 1.287 1.00 0.00 C ATOM 1181 CG GLN C 36 16.960 -2.317 0.384 1.00 0.00 C ATOM 1182 CD GLN C 36 17.828 -3.494 0.767 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.217 -4.518 1.341 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 19.036 -3.487 0.547 1.00 0.00 N flip ATOM 0 H GLN C 36 14.902 -0.931 -1.299 1.00 0.00 H new ATOM 0 HA GLN C 36 13.845 -1.250 1.415 1.00 0.00 H new ATOM 0 HB2 GLN C 36 16.076 -1.859 2.278 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.272 -3.147 1.403 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.629 -2.434 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.552 -1.403 0.427 1.00 0.00 H new ATOM 0 HE21 GLN C 36 19.469 -2.677 0.102 1.00 0.00 H new ATOM 0 HE22 GLN C 36 19.607 -4.291 0.809 1.00 0.00 H new ATOM 1193 N MET C 37 14.815 0.943 -0.239 1.00 0.00 N ATOM 1194 CA MET C 37 15.296 2.258 -0.514 1.00 0.00 C ATOM 1195 C MET C 37 14.699 3.274 0.456 1.00 0.00 C ATOM 1196 O MET C 37 15.410 3.818 1.297 1.00 0.00 O ATOM 1197 CB MET C 37 14.983 2.569 -1.955 1.00 0.00 C ATOM 1198 CG MET C 37 14.971 4.031 -2.289 1.00 0.00 C ATOM 1199 SD MET C 37 16.587 4.811 -2.114 1.00 0.00 S ATOM 1200 CE MET C 37 16.226 6.468 -2.691 1.00 0.00 C ATOM 0 H MET C 37 14.105 0.616 -0.894 1.00 0.00 H new ATOM 0 HA MET C 37 16.374 2.315 -0.367 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.717 2.071 -2.588 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.009 2.145 -2.201 1.00 0.00 H new ATOM 0 HG2 MET C 37 14.621 4.161 -3.313 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.257 4.540 -1.641 1.00 0.00 H new ATOM 0 HE1 MET C 37 16.985 6.776 -3.410 1.00 0.00 H new ATOM 0 HE2 MET C 37 15.246 6.482 -3.169 1.00 0.00 H new ATOM 0 HE3 MET C 37 16.227 7.156 -1.846 1.00 0.00 H new ATOM 1210 N ASN C 38 13.397 3.524 0.359 1.00 0.00 N ATOM 1211 CA ASN C 38 12.743 4.450 1.258 1.00 0.00 C ATOM 1212 C ASN C 38 11.473 3.880 1.829 1.00 0.00 C ATOM 1213 O ASN C 38 11.483 3.269 2.887 1.00 0.00 O ATOM 1214 CB ASN C 38 12.417 5.745 0.533 1.00 0.00 C ATOM 1215 CG ASN C 38 13.608 6.599 0.167 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.681 6.489 0.911 1.00 0.00 O flip ATOM 1217 ND2 ASN C 38 13.557 7.358 -0.799 1.00 0.00 N flip ATOM 0 H ASN C 38 12.781 3.097 -0.333 1.00 0.00 H new ATOM 0 HA ASN C 38 13.435 4.640 2.078 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.870 5.504 -0.379 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.748 6.334 1.160 1.00 0.00 H new ATOM 0 HD21 ASN C 38 12.705 7.418 -1.356 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.367 7.928 -1.043 1.00 0.00 H new ATOM 1224 N VAL C 39 10.401 4.085 1.090 1.00 0.00 N ATOM 1225 CA VAL C 39 9.033 3.895 1.550 1.00 0.00 C ATOM 1226 C VAL C 39 8.533 5.111 2.326 1.00 0.00 C ATOM 1227 O VAL C 39 7.385 5.511 2.191 1.00 0.00 O ATOM 1228 CB VAL C 39 8.787 2.604 2.338 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.772 2.908 3.787 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.464 2.007 1.933 1.00 0.00 C ATOM 0 H VAL C 39 10.456 4.399 0.121 1.00 0.00 H new ATOM 0 HA VAL C 39 8.449 3.786 0.636 1.00 0.00 H new ATOM 0 HB VAL C 39 9.583 1.891 2.124 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.597 1.991 4.349 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.731 3.335 4.079 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.977 3.622 4.001 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.292 1.089 2.495 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.664 2.717 2.144 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.477 1.782 0.866 1.00 0.00 H new ATOM 1240 N LYS C 40 9.409 5.713 3.099 1.00 0.00 N ATOM 1241 CA LYS C 40 9.083 6.882 3.863 1.00 0.00 C ATOM 1242 C LYS C 40 9.085 8.071 2.946 1.00 0.00 C ATOM 1243 O LYS C 40 8.055 8.669 2.633 1.00 0.00 O ATOM 1244 CB LYS C 40 10.134 7.068 4.957 1.00 0.00 C ATOM 1245 CG LYS C 40 10.736 5.776 5.469 1.00 0.00 C ATOM 1246 CD LYS C 40 12.120 5.522 4.872 1.00 0.00 C ATOM 1247 CE LYS C 40 13.151 6.565 5.299 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.447 6.521 6.758 1.00 0.00 N ATOM 0 H LYS C 40 10.373 5.398 3.211 1.00 0.00 H new ATOM 0 HA LYS C 40 8.100 6.776 4.322 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.934 7.701 4.572 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.681 7.600 5.793 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.810 5.814 6.556 1.00 0.00 H new ATOM 0 HG3 LYS C 40 10.076 4.944 5.224 1.00 0.00 H new ATOM 0 HD2 LYS C 40 12.465 4.533 5.174 1.00 0.00 H new ATOM 0 HD3 LYS C 40 12.046 5.516 3.785 1.00 0.00 H new ATOM 0 HE2 LYS C 40 14.074 6.407 4.741 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.786 7.558 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.210 7.438 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.880 5.772 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 14.458 6.322 6.901 1.00 0.00 H new ATOM 1262 N GLU C 41 10.276 8.365 2.510 1.00 0.00 N ATOM 1263 CA GLU C 41 10.536 9.365 1.532 1.00 0.00 C ATOM 1264 C GLU C 41 9.905 8.991 0.192 1.00 0.00 C ATOM 1265 O GLU C 41 9.541 9.855 -0.598 1.00 0.00 O ATOM 1266 CB GLU C 41 12.042 9.499 1.431 1.00 0.00 C ATOM 1267 CG GLU C 41 12.681 9.937 2.740 1.00 0.00 C ATOM 1268 CD GLU C 41 14.179 9.721 2.774 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.927 10.610 2.317 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.615 8.664 3.276 1.00 0.00 O ATOM 0 H GLU C 41 11.118 7.895 2.842 1.00 0.00 H new ATOM 0 HA GLU C 41 10.094 10.320 1.817 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.468 8.543 1.125 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.287 10.221 0.652 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.469 10.993 2.905 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.222 9.388 3.562 1.00 0.00 H new ATOM 1277 N PHE C 42 9.766 7.690 -0.037 1.00 0.00 N ATOM 1278 CA PHE C 42 9.080 7.168 -1.214 1.00 0.00 C ATOM 1279 C PHE C 42 7.652 7.689 -1.254 1.00 0.00 C ATOM 1280 O PHE C 42 7.198 8.217 -2.267 1.00 0.00 O ATOM 1281 CB PHE C 42 9.105 5.637 -1.168 1.00 0.00 C ATOM 1282 CG PHE C 42 8.031 4.947 -1.964 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.796 4.682 -1.397 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.262 4.549 -3.263 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.807 4.044 -2.118 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.278 3.909 -3.992 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.050 3.655 -3.418 1.00 0.00 C ATOM 0 H PHE C 42 10.125 6.968 0.587 1.00 0.00 H new ATOM 0 HA PHE C 42 9.586 7.502 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.076 5.296 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.022 5.321 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.604 4.979 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.223 4.740 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.846 3.850 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.471 3.608 -5.011 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.281 3.153 -3.986 1.00 0.00 H new ATOM 1297 N LYS C 43 6.963 7.555 -0.128 1.00 0.00 N ATOM 1298 CA LYS C 43 5.593 8.021 -0.008 1.00 0.00 C ATOM 1299 C LYS C 43 5.515 9.531 -0.185 1.00 0.00 C ATOM 1300 O LYS C 43 4.606 10.046 -0.835 1.00 0.00 O ATOM 1301 CB LYS C 43 5.027 7.615 1.348 1.00 0.00 C ATOM 1302 CG LYS C 43 4.468 6.199 1.381 1.00 0.00 C ATOM 1303 CD LYS C 43 4.360 5.647 2.798 1.00 0.00 C ATOM 1304 CE LYS C 43 3.795 6.661 3.781 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.453 7.151 3.382 1.00 0.00 N ATOM 0 H LYS C 43 7.336 7.124 0.718 1.00 0.00 H new ATOM 0 HA LYS C 43 4.998 7.559 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.811 7.704 2.100 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.238 8.314 1.626 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.483 6.190 0.915 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.107 5.545 0.788 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.725 4.761 2.791 1.00 0.00 H new ATOM 0 HD3 LYS C 43 5.346 5.330 3.136 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.734 6.208 4.770 1.00 0.00 H new ATOM 0 HE3 LYS C 43 4.479 7.506 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 2.304 8.106 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.388 7.180 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 1.724 6.510 3.756 1.00 0.00 H new ATOM 1319 N GLU C 44 6.475 10.234 0.402 1.00 0.00 N ATOM 1320 CA GLU C 44 6.568 11.670 0.273 1.00 0.00 C ATOM 1321 C GLU C 44 6.774 12.078 -1.187 1.00 0.00 C ATOM 1322 O GLU C 44 6.239 13.086 -1.644 1.00 0.00 O ATOM 1323 CB GLU C 44 7.720 12.167 1.126 1.00 0.00 C ATOM 1324 CG GLU C 44 7.517 13.568 1.647 1.00 0.00 C ATOM 1325 CD GLU C 44 8.668 14.038 2.508 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.721 14.402 1.948 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.527 14.042 3.751 1.00 0.00 O ATOM 0 H GLU C 44 7.207 9.819 0.979 1.00 0.00 H new ATOM 0 HA GLU C 44 5.635 12.119 0.613 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.857 11.490 1.969 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.638 12.135 0.539 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.394 14.251 0.806 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.595 13.607 2.226 1.00 0.00 H new ATOM 1334 N HIS C 45 7.551 11.285 -1.913 1.00 0.00 N ATOM 1335 CA HIS C 45 7.843 11.556 -3.304 1.00 0.00 C ATOM 1336 C HIS C 45 6.626 11.344 -4.202 1.00 0.00 C ATOM 1337 O HIS C 45 6.356 12.159 -5.080 1.00 0.00 O ATOM 1338 CB HIS C 45 9.009 10.687 -3.760 1.00 0.00 C ATOM 1339 CG HIS C 45 10.346 11.344 -3.597 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.118 11.526 -2.500 1.00 0.00 N flip ATOM 1341 CD2 HIS C 45 11.043 11.898 -4.645 1.00 0.00 C flip ATOM 1342 CE1 HIS C 45 12.257 12.178 -2.902 1.00 0.00 C flip ATOM 1343 NE2 HIS C 45 12.186 12.389 -4.202 1.00 0.00 N flip ATOM 0 H HIS C 45 7.993 10.440 -1.551 1.00 0.00 H new ATOM 0 HA HIS C 45 8.117 12.607 -3.391 1.00 0.00 H new ATOM 0 HB2 HIS C 45 9.000 9.755 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.868 10.425 -4.809 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.894 11.232 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.708 11.927 -5.671 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.075 12.470 -2.260 1.00 0.00 H new ATOM 1352 N ILE C 46 5.881 10.263 -3.982 1.00 0.00 N ATOM 1353 CA ILE C 46 4.725 9.967 -4.809 1.00 0.00 C ATOM 1354 C ILE C 46 3.541 10.854 -4.430 1.00 0.00 C ATOM 1355 O ILE C 46 2.555 10.917 -5.166 1.00 0.00 O ATOM 1356 CB ILE C 46 4.301 8.489 -4.686 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.635 8.208 -3.348 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.491 7.568 -4.848 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.986 6.842 -3.282 1.00 0.00 C ATOM 0 H ILE C 46 6.060 9.584 -3.242 1.00 0.00 H new ATOM 0 HA ILE C 46 5.017 10.166 -5.840 1.00 0.00 H new ATOM 0 HB ILE C 46 3.583 8.299 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.378 8.289 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.881 8.971 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.164 6.532 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.939 7.722 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.227 7.786 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.529 6.703 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.220 6.765 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.741 6.072 -3.442 1.00 0.00 H new ATOM 1371 N ALA C 47 3.665 11.539 -3.288 1.00 0.00 N ATOM 1372 CA ALA C 47 2.590 12.345 -2.712 1.00 0.00 C ATOM 1373 C ALA C 47 1.842 13.181 -3.743 1.00 0.00 C ATOM 1374 O ALA C 47 0.629 13.068 -3.860 1.00 0.00 O ATOM 1375 CB ALA C 47 3.141 13.243 -1.616 1.00 0.00 C ATOM 0 H ALA C 47 4.522 11.548 -2.735 1.00 0.00 H new ATOM 0 HA ALA C 47 1.867 11.644 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA C 47 2.332 13.839 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.587 12.630 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.899 13.905 -2.035 1.00 0.00 H new ATOM 1381 N ALA C 48 2.555 14.003 -4.496 1.00 0.00 N ATOM 1382 CA ALA C 48 1.910 14.913 -5.437 1.00 0.00 C ATOM 1383 C ALA C 48 1.203 14.170 -6.560 1.00 0.00 C ATOM 1384 O ALA C 48 0.083 14.518 -6.928 1.00 0.00 O ATOM 1385 CB ALA C 48 2.913 15.872 -6.027 1.00 0.00 C ATOM 0 H ALA C 48 3.573 14.061 -4.477 1.00 0.00 H new ATOM 0 HA ALA C 48 1.161 15.468 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.410 16.541 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA C 48 3.370 16.458 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.686 15.312 -6.554 1.00 0.00 H new ATOM 1391 N SER C 49 1.854 13.145 -7.093 1.00 0.00 N ATOM 1392 CA SER C 49 1.322 12.387 -8.202 1.00 0.00 C ATOM 1393 C SER C 49 0.016 11.698 -7.825 1.00 0.00 C ATOM 1394 O SER C 49 -0.783 11.329 -8.686 1.00 0.00 O ATOM 1395 CB SER C 49 2.360 11.363 -8.621 1.00 0.00 C ATOM 1396 OG SER C 49 3.450 11.346 -7.711 1.00 0.00 O ATOM 0 H SER C 49 2.764 12.821 -6.765 1.00 0.00 H new ATOM 0 HA SER C 49 1.103 13.062 -9.030 1.00 0.00 H new ATOM 0 HB2 SER C 49 1.904 10.374 -8.667 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.721 11.594 -9.623 1.00 0.00 H new ATOM 0 HG SER C 49 3.139 11.037 -6.834 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.187 11.512 -6.531 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.404 10.901 -6.040 1.00 0.00 C ATOM 1404 C VAL C 50 -2.256 11.901 -5.262 1.00 0.00 C ATOM 1405 O VAL C 50 -3.361 11.574 -4.832 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.096 9.645 -5.193 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.449 8.586 -6.073 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.186 9.971 -4.016 1.00 0.00 C ATOM 0 H VAL C 50 0.478 11.777 -5.804 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.985 10.582 -6.906 1.00 0.00 H new ATOM 0 HB VAL C 50 -2.036 9.268 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.232 7.700 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -1.129 8.320 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.478 8.978 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL C 50 0.008 9.064 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.756 10.376 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.670 10.707 -3.375 1.00 0.00 H new ATOM 1418 N SER C 51 -1.729 13.125 -5.091 1.00 0.00 N ATOM 1419 CA SER C 51 -2.443 14.200 -4.415 1.00 0.00 C ATOM 1420 C SER C 51 -2.633 13.828 -2.958 1.00 0.00 C ATOM 1421 O SER C 51 -3.522 14.333 -2.268 1.00 0.00 O ATOM 1422 CB SER C 51 -3.782 14.490 -5.098 1.00 0.00 C ATOM 1423 OG SER C 51 -4.441 15.595 -4.499 1.00 0.00 O ATOM 0 H SER C 51 -0.800 13.388 -5.419 1.00 0.00 H new ATOM 0 HA SER C 51 -1.855 15.116 -4.474 1.00 0.00 H new ATOM 0 HB2 SER C 51 -3.616 14.693 -6.156 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.420 13.608 -5.039 1.00 0.00 H new ATOM 0 HG SER C 51 -4.366 15.531 -3.524 1.00 0.00 H new ATOM 1429 N ILE C 52 -1.777 12.933 -2.501 1.00 0.00 N ATOM 1430 CA ILE C 52 -1.854 12.430 -1.157 1.00 0.00 C ATOM 1431 C ILE C 52 -0.490 12.480 -0.482 1.00 0.00 C ATOM 1432 O ILE C 52 0.412 11.735 -0.855 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.364 10.976 -1.120 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.743 10.853 -1.761 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.430 10.499 0.317 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -4.853 11.339 -0.857 1.00 0.00 C ATOM 0 H ILE C 52 -1.015 12.541 -3.054 1.00 0.00 H new ATOM 0 HA ILE C 52 -2.559 13.068 -0.624 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.669 10.358 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.760 11.424 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.925 9.811 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -2.791 9.471 0.343 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -1.436 10.546 0.762 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.111 11.137 0.881 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -5.811 11.228 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -4.859 10.751 0.061 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -4.691 12.389 -0.614 1.00 0.00 H new ATOM 1448 N PRO C 53 -0.323 13.343 0.526 1.00 0.00 N ATOM 1449 CA PRO C 53 0.924 13.436 1.281 1.00 0.00 C ATOM 1450 C PRO C 53 1.160 12.193 2.117 1.00 0.00 C ATOM 1451 O PRO C 53 0.214 11.544 2.553 1.00 0.00 O ATOM 1452 CB PRO C 53 0.736 14.634 2.184 1.00 0.00 C ATOM 1453 CG PRO C 53 -0.531 15.300 1.759 1.00 0.00 C ATOM 1454 CD PRO C 53 -1.339 14.269 1.031 1.00 0.00 C ATOM 0 HA PRO C 53 1.785 13.531 0.620 1.00 0.00 H new ATOM 0 HB2 PRO C 53 0.679 14.326 3.228 1.00 0.00 H new ATOM 0 HB3 PRO C 53 1.580 15.319 2.099 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -1.077 15.680 2.623 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -0.322 16.153 1.114 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.045 13.769 1.694 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -1.920 14.711 0.221 1.00 0.00 H new ATOM 1462 N SER C 54 2.435 11.895 2.358 1.00 0.00 N ATOM 1463 CA SER C 54 2.851 10.694 3.077 1.00 0.00 C ATOM 1464 C SER C 54 2.122 10.558 4.412 1.00 0.00 C ATOM 1465 O SER C 54 1.832 9.444 4.854 1.00 0.00 O ATOM 1466 CB SER C 54 4.369 10.724 3.306 1.00 0.00 C ATOM 1467 OG SER C 54 4.830 9.530 3.910 1.00 0.00 O ATOM 0 H SER C 54 3.212 12.483 2.058 1.00 0.00 H new ATOM 0 HA SER C 54 2.591 9.829 2.467 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.878 10.870 2.353 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.625 11.574 3.938 1.00 0.00 H new ATOM 0 HG SER C 54 5.800 9.582 4.040 1.00 0.00 H new ATOM 1473 N GLU C 55 1.810 11.692 5.033 1.00 0.00 N ATOM 1474 CA GLU C 55 1.134 11.701 6.327 1.00 0.00 C ATOM 1475 C GLU C 55 -0.294 11.143 6.229 1.00 0.00 C ATOM 1476 O GLU C 55 -0.779 10.501 7.160 1.00 0.00 O ATOM 1477 CB GLU C 55 1.117 13.115 6.900 1.00 0.00 C ATOM 1478 CG GLU C 55 0.504 14.100 5.966 1.00 0.00 C ATOM 1479 CD GLU C 55 0.434 15.506 6.520 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.279 15.721 7.520 1.00 0.00 O ATOM 1481 OE2 GLU C 55 1.076 16.410 5.943 1.00 0.00 O ATOM 0 H GLU C 55 2.015 12.619 4.660 1.00 0.00 H new ATOM 0 HA GLU C 55 1.693 11.049 6.999 1.00 0.00 H new ATOM 0 HB2 GLU C 55 0.564 13.117 7.839 1.00 0.00 H new ATOM 0 HB3 GLU C 55 2.137 13.423 7.130 1.00 0.00 H new ATOM 0 HG2 GLU C 55 1.077 14.113 5.039 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -0.503 13.769 5.713 1.00 0.00 H new ATOM 1488 N LYS C 56 -0.953 11.368 5.094 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.334 10.915 4.892 1.00 0.00 C ATOM 1490 C LYS C 56 -2.372 9.726 3.942 1.00 0.00 C ATOM 1491 O LYS C 56 -3.433 9.182 3.639 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.183 12.034 4.281 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.200 13.328 5.073 1.00 0.00 C ATOM 1494 CD LYS C 56 -3.917 14.422 4.303 1.00 0.00 C ATOM 1495 CE LYS C 56 -3.800 15.769 4.995 1.00 0.00 C ATOM 1496 NZ LYS C 56 -4.474 16.843 4.222 1.00 0.00 N ATOM 0 H LYS C 56 -0.554 11.863 4.296 1.00 0.00 H new ATOM 0 HA LYS C 56 -2.732 10.631 5.866 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -2.813 12.244 3.277 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.207 11.676 4.175 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -3.695 13.167 6.031 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.178 13.640 5.291 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -3.500 14.492 3.298 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -4.969 14.160 4.194 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -4.240 15.706 5.990 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -2.748 16.021 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -4.373 17.748 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -4.038 16.919 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -5.483 16.615 4.118 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.209 9.337 3.466 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.108 8.391 2.369 1.00 0.00 C ATOM 1512 C GLN C 57 -1.044 6.961 2.883 1.00 0.00 C ATOM 1513 O GLN C 57 -0.156 6.621 3.667 1.00 0.00 O ATOM 1514 CB GLN C 57 0.152 8.700 1.575 1.00 0.00 C ATOM 1515 CG GLN C 57 0.174 8.118 0.183 1.00 0.00 C ATOM 1516 CD GLN C 57 1.534 8.261 -0.442 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.363 7.369 -0.329 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.791 9.397 -1.067 1.00 0.00 N ATOM 0 H GLN C 57 -0.311 9.663 3.823 1.00 0.00 H new ATOM 0 HA GLN C 57 -1.992 8.485 1.738 1.00 0.00 H new ATOM 0 HB2 GLN C 57 0.265 9.782 1.504 1.00 0.00 H new ATOM 0 HB3 GLN C 57 1.014 8.324 2.126 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.103 7.064 0.222 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.569 8.620 -0.436 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.070 10.115 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.711 9.556 -1.478 1.00 0.00 H new ATOM 1527 N ARG C 58 -1.958 6.115 2.435 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.966 4.729 2.894 1.00 0.00 C ATOM 1529 C ARG C 58 -1.834 3.752 1.723 1.00 0.00 C ATOM 1530 O ARG C 58 -2.704 3.696 0.855 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.241 4.446 3.693 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.524 5.489 4.766 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.598 5.029 5.739 1.00 0.00 C ATOM 1534 NE ARG C 58 -5.834 4.628 5.067 1.00 0.00 N ATOM 1535 CZ ARG C 58 -6.272 3.368 5.017 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -5.578 2.394 5.591 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -7.413 3.082 4.411 1.00 0.00 N ATOM 0 H ARG C 58 -2.691 6.353 1.767 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.103 4.582 3.543 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.088 4.400 3.008 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.157 3.466 4.162 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.606 5.704 5.314 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.838 6.420 4.293 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -4.218 4.191 6.323 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -4.816 5.834 6.441 1.00 0.00 H new ATOM 0 HE ARG C 58 -6.392 5.351 4.612 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -4.705 2.606 6.074 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -5.918 1.433 5.550 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -7.962 3.826 3.980 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -7.744 2.118 4.375 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.728 3.003 1.692 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.479 2.024 0.649 1.00 0.00 C ATOM 1553 C LEU C 59 -1.086 0.665 1.016 1.00 0.00 C ATOM 1554 O LEU C 59 -0.770 0.123 2.061 1.00 0.00 O ATOM 1555 CB LEU C 59 1.027 1.862 0.511 1.00 0.00 C ATOM 1556 CG LEU C 59 1.822 3.135 0.214 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.311 2.857 0.344 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.505 3.658 -1.178 1.00 0.00 C ATOM 0 H LEU C 59 0.013 3.063 2.390 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.933 2.366 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.410 1.427 1.434 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.222 1.143 -0.285 1.00 0.00 H new ATOM 0 HG LEU C 59 1.536 3.898 0.938 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.871 3.768 0.131 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.532 2.524 1.358 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.599 2.080 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.082 4.563 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.764 2.902 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.441 3.885 -1.248 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.965 0.115 0.188 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.422 -1.256 0.399 1.00 0.00 C ATOM 1572 C ILE C 60 -1.977 -2.169 -0.732 1.00 0.00 C ATOM 1573 O ILE C 60 -2.455 -2.060 -1.854 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.948 -1.349 0.482 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.498 -0.223 1.337 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.367 -2.700 1.055 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.963 -0.004 1.117 1.00 0.00 C ATOM 0 H ILE C 60 -2.370 0.585 -0.622 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.979 -1.570 1.344 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.357 -1.255 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.321 -0.449 2.389 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.958 0.697 1.113 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.455 -2.751 1.108 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -3.997 -3.499 0.412 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.949 -2.816 2.055 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.308 0.812 1.752 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.140 0.249 0.072 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.508 -0.914 1.367 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.087 -3.087 -0.438 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.700 -4.088 -1.411 1.00 0.00 C ATOM 1591 C TYR C 61 -1.095 -5.456 -0.898 1.00 0.00 C ATOM 1592 O TYR C 61 -0.842 -5.776 0.257 1.00 0.00 O ATOM 1593 CB TYR C 61 0.794 -4.046 -1.700 1.00 0.00 C ATOM 1594 CG TYR C 61 1.194 -5.131 -2.657 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.604 -5.208 -3.905 1.00 0.00 C ATOM 1596 CD2 TYR C 61 2.122 -6.096 -2.306 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.925 -6.213 -4.779 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.459 -7.106 -3.179 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.856 -7.165 -4.414 1.00 0.00 C ATOM 1600 OH TYR C 61 2.180 -8.181 -5.281 1.00 0.00 O ATOM 0 H TYR C 61 -0.617 -3.164 0.464 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.217 -3.877 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR C 61 1.059 -3.074 -2.117 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.350 -4.156 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.122 -4.463 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.589 -6.056 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.452 -6.260 -5.749 1.00 0.00 H new ATOM 0 HE2 TYR C 61 3.192 -7.847 -2.896 1.00 0.00 H new ATOM 0 HH TYR C 61 2.852 -8.762 -4.867 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.721 -6.245 -1.774 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.291 -7.550 -1.433 1.00 0.00 C ATOM 1612 C GLN C 62 -2.970 -7.543 -0.058 1.00 0.00 C ATOM 1613 O GLN C 62 -2.767 -8.443 0.756 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.243 -8.671 -1.528 1.00 0.00 C ATOM 1615 CG GLN C 62 0.019 -8.425 -0.724 1.00 0.00 C ATOM 1616 CD GLN C 62 0.897 -9.646 -0.598 1.00 0.00 C ATOM 1617 OE1 GLN C 62 0.292 -10.817 -0.624 1.00 0.00 O flip ATOM 1618 NE2 GLN C 62 2.117 -9.537 -0.481 1.00 0.00 N flip ATOM 0 H GLN C 62 -1.848 -5.992 -2.754 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.064 -7.755 -2.174 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -1.696 -9.604 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -0.971 -8.808 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN C 62 0.589 -7.623 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.256 -8.080 0.273 1.00 0.00 H new ATOM 0 HE21 GLN C 62 2.547 -8.612 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN C 62 2.698 -10.371 -0.400 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.775 -6.513 0.192 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.531 -6.427 1.433 1.00 0.00 C ATOM 1629 C GLY C 63 -3.679 -6.100 2.652 1.00 0.00 C ATOM 1630 O GLY C 63 -4.174 -6.106 3.782 1.00 0.00 O ATOM 0 H GLY C 63 -3.918 -5.731 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.302 -5.664 1.325 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.042 -7.375 1.602 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.403 -5.832 2.431 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.497 -5.433 3.499 1.00 0.00 C ATOM 1636 C ARG C 64 -1.432 -3.916 3.542 1.00 0.00 C ATOM 1637 O ARG C 64 -1.448 -3.271 2.496 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.096 -6.012 3.255 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.055 -7.532 3.126 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.335 -8.234 4.447 1.00 0.00 C ATOM 1641 NE ARG C 64 -1.720 -8.079 4.881 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.143 -8.317 6.119 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -1.291 -8.727 7.052 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -3.423 -8.149 6.416 1.00 0.00 N ATOM 0 H ARG C 64 -1.966 -5.884 1.511 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.864 -5.816 4.451 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.312 -5.571 2.346 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.556 -5.712 4.075 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.789 -7.851 2.386 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.924 -7.836 2.756 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.106 -9.295 4.346 1.00 0.00 H new ATOM 0 HD3 ARG C 64 0.329 -7.836 5.214 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.406 -7.769 4.192 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -0.307 -8.861 6.820 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -1.621 -8.908 8.000 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.077 -7.839 5.697 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -3.755 -8.330 7.364 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.372 -3.340 4.731 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.376 -1.895 4.858 1.00 0.00 C ATOM 1660 C VAL C 65 0.057 -1.381 5.023 1.00 0.00 C ATOM 1661 O VAL C 65 0.627 -1.421 6.114 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.228 -1.446 6.055 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.955 -0.147 5.743 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.225 -2.524 6.425 1.00 0.00 C ATOM 0 H VAL C 65 -1.320 -3.847 5.615 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.812 -1.477 3.951 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.563 -1.274 6.901 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.552 0.152 6.605 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -2.227 0.632 5.518 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.608 -0.293 4.882 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.822 -2.192 7.275 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.880 -2.720 5.576 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.692 -3.437 6.691 1.00 0.00 H new ATOM 1674 N LEU C 66 0.634 -0.922 3.926 1.00 0.00 N ATOM 1675 CA LEU C 66 2.022 -0.476 3.901 1.00 0.00 C ATOM 1676 C LEU C 66 2.103 1.010 4.219 1.00 0.00 C ATOM 1677 O LEU C 66 1.166 1.767 3.948 1.00 0.00 O ATOM 1678 CB LEU C 66 2.664 -0.719 2.525 1.00 0.00 C ATOM 1679 CG LEU C 66 1.835 -1.521 1.515 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.467 -1.447 0.136 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.705 -2.972 1.946 1.00 0.00 C ATOM 0 H LEU C 66 0.157 -0.847 3.027 1.00 0.00 H new ATOM 0 HA LEU C 66 2.563 -1.052 4.652 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.898 0.249 2.082 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.611 -1.237 2.677 1.00 0.00 H new ATOM 0 HG LEU C 66 0.838 -1.082 1.476 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.867 -2.021 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.513 -0.407 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.475 -1.859 0.175 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.112 -3.518 1.212 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.696 -3.420 2.018 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.213 -3.020 2.918 1.00 0.00 H new ATOM 1693 N GLN C 67 3.223 1.432 4.782 1.00 0.00 N ATOM 1694 CA GLN C 67 3.429 2.832 5.103 1.00 0.00 C ATOM 1695 C GLN C 67 4.931 3.137 5.222 1.00 0.00 C ATOM 1696 O GLN C 67 5.760 2.326 4.821 1.00 0.00 O ATOM 1697 CB GLN C 67 2.692 3.190 6.396 1.00 0.00 C ATOM 1698 CG GLN C 67 3.122 2.359 7.590 1.00 0.00 C ATOM 1699 CD GLN C 67 2.114 2.410 8.715 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.178 3.274 9.592 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.174 1.482 8.695 1.00 0.00 N ATOM 0 H GLN C 67 4.004 0.823 5.026 1.00 0.00 H new ATOM 0 HA GLN C 67 3.023 3.444 4.298 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.858 4.244 6.619 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.621 3.061 6.241 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.263 1.324 7.278 1.00 0.00 H new ATOM 0 HG3 GLN C 67 4.086 2.717 7.952 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.160 0.786 7.949 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.462 1.461 9.425 1.00 0.00 H new ATOM 1710 N ASP C 68 5.263 4.304 5.774 1.00 0.00 N ATOM 1711 CA ASP C 68 6.646 4.758 5.968 1.00 0.00 C ATOM 1712 C ASP C 68 7.444 3.839 6.916 1.00 0.00 C ATOM 1713 O ASP C 68 8.614 4.096 7.201 1.00 0.00 O ATOM 1714 CB ASP C 68 6.659 6.205 6.480 1.00 0.00 C ATOM 1715 CG ASP C 68 5.931 6.376 7.797 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.695 6.582 7.772 1.00 0.00 O ATOM 1717 OD2 ASP C 68 6.585 6.324 8.856 1.00 0.00 O ATOM 0 H ASP C 68 4.569 4.974 6.106 1.00 0.00 H new ATOM 0 HA ASP C 68 7.141 4.713 4.998 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.692 6.533 6.597 1.00 0.00 H new ATOM 0 HB3 ASP C 68 6.202 6.853 5.732 1.00 0.00 H new ATOM 1722 N ASP C 69 6.790 2.785 7.404 1.00 0.00 N ATOM 1723 CA ASP C 69 7.367 1.812 8.355 1.00 0.00 C ATOM 1724 C ASP C 69 8.670 1.174 7.844 1.00 0.00 C ATOM 1725 O ASP C 69 9.388 0.518 8.606 1.00 0.00 O ATOM 1726 CB ASP C 69 6.341 0.711 8.628 1.00 0.00 C ATOM 1727 CG ASP C 69 6.768 -0.252 9.721 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.525 0.044 10.909 1.00 0.00 O ATOM 1729 OD2 ASP C 69 7.326 -1.322 9.396 1.00 0.00 O ATOM 0 H ASP C 69 5.825 2.572 7.150 1.00 0.00 H new ATOM 0 HA ASP C 69 7.612 2.357 9.267 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.393 1.169 8.908 1.00 0.00 H new ATOM 0 HB3 ASP C 69 6.166 0.152 7.709 1.00 0.00 H new ATOM 1734 N LYS C 70 8.953 1.392 6.561 1.00 0.00 N ATOM 1735 CA LYS C 70 10.194 0.954 5.893 1.00 0.00 C ATOM 1736 C LYS C 70 10.138 -0.487 5.393 1.00 0.00 C ATOM 1737 O LYS C 70 9.240 -1.253 5.747 1.00 0.00 O ATOM 1738 CB LYS C 70 11.412 1.148 6.794 1.00 0.00 C ATOM 1739 CG LYS C 70 11.512 2.551 7.357 1.00 0.00 C ATOM 1740 CD LYS C 70 12.738 2.716 8.240 1.00 0.00 C ATOM 1741 CE LYS C 70 12.477 2.268 9.676 1.00 0.00 C ATOM 1742 NZ LYS C 70 12.015 0.855 9.770 1.00 0.00 N ATOM 0 H LYS C 70 8.317 1.888 5.937 1.00 0.00 H new ATOM 0 HA LYS C 70 10.292 1.593 5.015 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.366 0.434 7.617 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.316 0.924 6.228 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.554 3.270 6.538 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.615 2.777 7.934 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.563 2.138 7.825 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.048 3.761 8.238 1.00 0.00 H new ATOM 0 HE2 LYS C 70 13.390 2.385 10.259 1.00 0.00 H new ATOM 0 HE3 LYS C 70 11.727 2.920 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 12.160 0.506 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 11.004 0.804 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 12.558 0.267 9.105 1.00 0.00 H new ATOM 1756 N LYS C 71 11.130 -0.823 4.562 1.00 0.00 N ATOM 1757 CA LYS C 71 11.275 -2.144 3.953 1.00 0.00 C ATOM 1758 C LYS C 71 10.174 -2.430 2.936 1.00 0.00 C ATOM 1759 O LYS C 71 9.177 -3.090 3.230 1.00 0.00 O ATOM 1760 CB LYS C 71 11.358 -3.247 5.011 1.00 0.00 C ATOM 1761 CG LYS C 71 12.678 -3.241 5.767 1.00 0.00 C ATOM 1762 CD LYS C 71 12.828 -4.461 6.659 1.00 0.00 C ATOM 1763 CE LYS C 71 14.243 -4.572 7.205 1.00 0.00 C ATOM 1764 NZ LYS C 71 14.445 -5.821 7.984 1.00 0.00 N ATOM 0 H LYS C 71 11.866 -0.171 4.291 1.00 0.00 H new ATOM 0 HA LYS C 71 12.220 -2.139 3.409 1.00 0.00 H new ATOM 0 HB2 LYS C 71 10.538 -3.127 5.719 1.00 0.00 H new ATOM 0 HB3 LYS C 71 11.224 -4.216 4.530 1.00 0.00 H new ATOM 0 HG2 LYS C 71 13.503 -3.208 5.056 1.00 0.00 H new ATOM 0 HG3 LYS C 71 12.744 -2.338 6.374 1.00 0.00 H new ATOM 0 HD2 LYS C 71 12.120 -4.400 7.486 1.00 0.00 H new ATOM 0 HD3 LYS C 71 12.582 -5.360 6.094 1.00 0.00 H new ATOM 0 HE2 LYS C 71 14.953 -4.542 6.379 1.00 0.00 H new ATOM 0 HE3 LYS C 71 14.455 -3.711 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 15.423 -5.856 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 13.785 -5.839 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 14.269 -6.644 7.373 1.00 0.00 H new ATOM 1778 N LEU C 72 10.399 -1.942 1.720 1.00 0.00 N ATOM 1779 CA LEU C 72 9.470 -2.123 0.608 1.00 0.00 C ATOM 1780 C LEU C 72 9.338 -3.596 0.222 1.00 0.00 C ATOM 1781 O LEU C 72 8.281 -4.045 -0.215 1.00 0.00 O ATOM 1782 CB LEU C 72 9.958 -1.314 -0.599 1.00 0.00 C ATOM 1783 CG LEU C 72 9.739 0.197 -0.504 1.00 0.00 C ATOM 1784 CD1 LEU C 72 10.770 0.949 -1.328 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.336 0.548 -0.973 1.00 0.00 C ATOM 0 H LEU C 72 11.233 -1.408 1.477 1.00 0.00 H new ATOM 0 HA LEU C 72 8.488 -1.770 0.923 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.023 -1.502 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.452 -1.683 -1.491 1.00 0.00 H new ATOM 0 HG LEU C 72 9.854 0.496 0.538 1.00 0.00 H new ATOM 0 HD11 LEU C 72 10.592 2.021 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU C 72 11.769 0.717 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU C 72 10.690 0.649 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.188 1.626 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU C 72 8.208 0.231 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU C 72 7.605 0.039 -0.345 1.00 0.00 H new ATOM 1797 N GLN C 73 10.422 -4.336 0.390 1.00 0.00 N ATOM 1798 CA GLN C 73 10.495 -5.723 0.007 1.00 0.00 C ATOM 1799 C GLN C 73 9.623 -6.616 0.874 1.00 0.00 C ATOM 1800 O GLN C 73 9.150 -7.653 0.417 1.00 0.00 O ATOM 1801 CB GLN C 73 11.937 -6.151 0.105 1.00 0.00 C ATOM 1802 CG GLN C 73 12.562 -5.867 1.464 1.00 0.00 C ATOM 1803 CD GLN C 73 14.062 -6.074 1.494 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.559 -7.007 0.699 1.00 0.00 O flip ATOM 1805 NE2 GLN C 73 14.769 -5.397 2.235 1.00 0.00 N flip ATOM 0 H GLN C 73 11.284 -3.979 0.802 1.00 0.00 H new ATOM 0 HA GLN C 73 10.120 -5.826 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.006 -7.219 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.513 -5.639 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN C 73 12.339 -4.839 1.750 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.099 -6.513 2.210 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.347 -4.687 2.833 1.00 0.00 H new ATOM 0 HE22 GLN C 73 15.778 -5.545 2.252 1.00 0.00 H new ATOM 1814 N GLU C 74 9.412 -6.224 2.122 1.00 0.00 N ATOM 1815 CA GLU C 74 8.528 -6.977 2.995 1.00 0.00 C ATOM 1816 C GLU C 74 7.105 -6.861 2.490 1.00 0.00 C ATOM 1817 O GLU C 74 6.285 -7.759 2.688 1.00 0.00 O ATOM 1818 CB GLU C 74 8.627 -6.511 4.444 1.00 0.00 C ATOM 1819 CG GLU C 74 9.977 -6.796 5.074 1.00 0.00 C ATOM 1820 CD GLU C 74 9.937 -6.725 6.585 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.523 -5.682 7.125 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.315 -7.719 7.243 1.00 0.00 O ATOM 0 H GLU C 74 9.835 -5.399 2.548 1.00 0.00 H new ATOM 0 HA GLU C 74 8.837 -8.022 2.977 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.432 -5.439 4.488 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.849 -7.001 5.030 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.315 -7.786 4.769 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.708 -6.080 4.699 1.00 0.00 H new ATOM 1829 N TYR C 75 6.821 -5.754 1.814 1.00 0.00 N ATOM 1830 CA TYR C 75 5.527 -5.568 1.211 1.00 0.00 C ATOM 1831 C TYR C 75 5.514 -6.276 -0.132 1.00 0.00 C ATOM 1832 O TYR C 75 4.464 -6.647 -0.642 1.00 0.00 O ATOM 1833 CB TYR C 75 5.210 -4.085 1.026 1.00 0.00 C ATOM 1834 CG TYR C 75 5.316 -3.257 2.290 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.597 -3.585 3.434 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.128 -2.135 2.328 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.685 -2.813 4.577 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.219 -1.356 3.466 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.496 -1.700 4.587 1.00 0.00 C ATOM 1840 OH TYR C 75 5.574 -0.919 5.718 1.00 0.00 O ATOM 0 H TYR C 75 7.472 -4.981 1.676 1.00 0.00 H new ATOM 0 HA TYR C 75 4.764 -5.987 1.867 1.00 0.00 H new ATOM 0 HB2 TYR C 75 5.888 -3.672 0.279 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.200 -3.989 0.628 1.00 0.00 H new ATOM 0 HD1 TYR C 75 3.960 -4.457 3.429 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.700 -1.864 1.453 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.121 -3.081 5.458 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.854 -0.482 3.476 1.00 0.00 H new ATOM 0 HH TYR C 75 6.327 -0.297 5.635 1.00 0.00 H new ATOM 1850 N ASN C 76 6.726 -6.466 -0.677 1.00 0.00 N ATOM 1851 CA ASN C 76 6.943 -7.271 -1.877 1.00 0.00 C ATOM 1852 C ASN C 76 6.233 -6.651 -3.079 1.00 0.00 C ATOM 1853 O ASN C 76 5.727 -7.347 -3.957 1.00 0.00 O ATOM 1854 CB ASN C 76 6.466 -8.709 -1.628 1.00 0.00 C ATOM 1855 CG ASN C 76 6.815 -9.663 -2.755 1.00 0.00 C ATOM 1856 OD1 ASN C 76 7.843 -9.511 -3.419 1.00 0.00 O ATOM 1857 ND2 ASN C 76 5.965 -10.653 -2.979 1.00 0.00 N ATOM 0 H ASN C 76 7.581 -6.063 -0.293 1.00 0.00 H new ATOM 0 HA ASN C 76 8.009 -7.294 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN C 76 6.908 -9.075 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.385 -8.706 -1.486 1.00 0.00 H new ATOM 0 HD21 ASN C 76 6.150 -11.325 -3.724 1.00 0.00 H new ATOM 0 HD22 ASN C 76 5.125 -10.744 -2.407 1.00 0.00 H new ATOM 1864 N VAL C 77 6.228 -5.328 -3.128 1.00 0.00 N ATOM 1865 CA VAL C 77 5.481 -4.608 -4.162 1.00 0.00 C ATOM 1866 C VAL C 77 6.280 -4.446 -5.465 1.00 0.00 C ATOM 1867 O VAL C 77 6.042 -3.523 -6.246 1.00 0.00 O ATOM 1868 CB VAL C 77 5.024 -3.224 -3.655 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.202 -3.380 -2.391 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.206 -2.302 -3.405 1.00 0.00 C ATOM 0 H VAL C 77 6.728 -4.729 -2.471 1.00 0.00 H new ATOM 0 HA VAL C 77 4.605 -5.218 -4.385 1.00 0.00 H new ATOM 0 HB VAL C 77 4.408 -2.769 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.884 -2.398 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.325 -3.992 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.805 -3.862 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.846 -1.337 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.860 -2.745 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.761 -2.162 -4.333 1.00 0.00 H new ATOM 1880 N GLY C 78 7.210 -5.357 -5.709 1.00 0.00 N ATOM 1881 CA GLY C 78 8.021 -5.289 -6.888 1.00 0.00 C ATOM 1882 C GLY C 78 7.395 -5.939 -8.078 1.00 0.00 C ATOM 1883 O GLY C 78 7.373 -7.161 -8.240 1.00 0.00 O ATOM 0 H GLY C 78 7.413 -6.148 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.225 -4.244 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY C 78 8.981 -5.764 -6.687 1.00 0.00 H new ATOM 1887 N GLY C 79 6.893 -5.082 -8.893 1.00 0.00 N ATOM 1888 CA GLY C 79 6.364 -5.463 -10.190 1.00 0.00 C ATOM 1889 C GLY C 79 4.872 -5.752 -10.189 1.00 0.00 C ATOM 1890 O GLY C 79 4.347 -6.322 -11.145 1.00 0.00 O ATOM 0 H GLY C 79 6.829 -4.084 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY C 79 6.568 -4.664 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY C 79 6.895 -6.348 -10.542 1.00 0.00 H new ATOM 1894 N LYS C 80 4.192 -5.372 -9.119 1.00 0.00 N ATOM 1895 CA LYS C 80 2.736 -5.524 -9.029 1.00 0.00 C ATOM 1896 C LYS C 80 2.129 -4.227 -8.506 1.00 0.00 C ATOM 1897 O LYS C 80 2.803 -3.486 -7.791 1.00 0.00 O ATOM 1898 CB LYS C 80 2.346 -6.690 -8.107 1.00 0.00 C ATOM 1899 CG LYS C 80 2.805 -8.064 -8.585 1.00 0.00 C ATOM 1900 CD LYS C 80 4.252 -8.342 -8.208 1.00 0.00 C ATOM 1901 CE LYS C 80 4.743 -9.656 -8.793 1.00 0.00 C ATOM 1902 NZ LYS C 80 6.157 -9.929 -8.426 1.00 0.00 N ATOM 0 H LYS C 80 4.621 -4.953 -8.294 1.00 0.00 H new ATOM 0 HA LYS C 80 2.351 -5.745 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS C 80 2.763 -6.507 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS C 80 1.261 -6.702 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS C 80 2.163 -8.832 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS C 80 2.693 -8.128 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS C 80 4.883 -7.527 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.346 -8.369 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.112 -10.470 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.648 -9.629 -9.879 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.600 -10.514 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.673 -9.030 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 6.189 -10.434 -7.517 1.00 0.00 H new ATOM 1916 N VAL C 81 0.871 -3.939 -8.861 1.00 0.00 N ATOM 1917 CA VAL C 81 0.269 -2.669 -8.464 1.00 0.00 C ATOM 1918 C VAL C 81 -0.210 -2.674 -7.015 1.00 0.00 C ATOM 1919 O VAL C 81 -0.954 -3.558 -6.576 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.882 -2.189 -9.377 1.00 0.00 C ATOM 1921 CG1 VAL C 81 -0.477 -2.082 -10.835 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -2.078 -3.065 -9.242 1.00 0.00 C ATOM 0 H VAL C 81 0.267 -4.552 -9.408 1.00 0.00 H new ATOM 0 HA VAL C 81 1.087 -1.957 -8.574 1.00 0.00 H new ATOM 0 HB VAL C 81 -1.135 -1.184 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -1.328 -1.740 -11.425 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.342 -1.370 -10.934 1.00 0.00 H new ATOM 0 HG13 VAL C 81 -0.154 -3.059 -11.196 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.871 -2.702 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.815 -4.085 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.425 -3.050 -8.209 1.00 0.00 H new ATOM 1932 N ILE C 82 0.264 -1.684 -6.272 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.261 -1.385 -4.960 1.00 0.00 C ATOM 1934 C ILE C 82 -1.644 -0.783 -5.125 1.00 0.00 C ATOM 1935 O ILE C 82 -2.004 -0.366 -6.210 1.00 0.00 O ATOM 1936 CB ILE C 82 0.656 -0.401 -4.181 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.042 -0.958 -4.036 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.097 -0.050 -2.811 1.00 0.00 C ATOM 1939 CD1 ILE C 82 2.963 -0.082 -3.212 1.00 0.00 C ATOM 0 H ILE C 82 1.023 -1.070 -6.567 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.308 -2.308 -4.382 1.00 0.00 H new ATOM 0 HB ILE C 82 0.696 0.516 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.982 -1.944 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.475 -1.096 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.774 0.640 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.880 0.420 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.005 -0.958 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.947 -0.546 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.053 0.896 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.553 0.035 -2.209 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.439 -0.776 -4.086 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.686 -0.054 -4.123 1.00 0.00 C ATOM 1953 C HIS C 83 -3.638 1.060 -3.099 1.00 0.00 C ATOM 1954 O HIS C 83 -3.597 0.817 -1.897 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.874 -0.984 -3.854 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.078 -2.014 -4.920 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.892 -3.364 -4.712 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.460 -1.885 -6.211 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.147 -4.018 -5.831 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.494 -3.144 -6.755 1.00 0.00 N ATOM 0 H HIS C 83 -2.247 -1.259 -3.208 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.824 0.368 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.723 -1.486 -2.898 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.780 -0.385 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.695 -0.962 -6.720 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -5.082 -5.088 -5.966 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.747 -3.367 -7.718 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.636 2.278 -3.583 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.520 3.433 -2.722 1.00 0.00 C ATOM 1971 C LEU C 84 -4.874 3.867 -2.187 1.00 0.00 C ATOM 1972 O LEU C 84 -5.919 3.549 -2.757 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.855 4.581 -3.476 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.482 4.985 -2.943 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.869 6.070 -3.806 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.597 5.459 -1.509 1.00 0.00 C ATOM 0 H LEU C 84 -3.714 2.497 -4.576 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.900 3.157 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.754 4.299 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.513 5.449 -3.442 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.830 4.112 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.109 6.343 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -0.756 5.703 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.518 6.946 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -0.612 5.744 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -2.265 6.319 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.997 4.655 -0.891 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.846 4.583 -1.079 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.049 5.159 -0.519 1.00 0.00 C ATOM 1990 C VAL C 85 -5.942 6.661 -0.587 1.00 0.00 C ATOM 1991 O VAL C 85 -4.853 7.225 -0.471 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.266 4.782 0.955 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.715 4.982 1.365 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -5.810 3.364 1.235 1.00 0.00 C ATOM 0 H VAL C 85 -3.997 4.779 -0.548 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.887 4.771 -1.099 1.00 0.00 H new ATOM 0 HB VAL C 85 -5.653 5.451 1.559 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.838 4.707 2.413 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.990 6.028 1.229 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -8.358 4.355 0.747 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -5.977 3.129 2.286 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -6.376 2.670 0.613 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -4.748 3.272 1.007 1.00 0.00 H new