USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 99:sc= 0.0616 USER MOD Single : A 19 TYR OH : rot -163:sc= 1.21 USER MOD Single : A 35 HIS : no HE2:sc= 0.789 K(o=0.79,f=-2.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.6!) USER MOD Single : A 66 SER OG : rot 80:sc= 0.584 USER MOD Single : A 67 SER OG : rot -59:sc= 1.2 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0484 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 17.218 1.974 -7.319 1.00 72.22 N ATOM 118 CA ALA A 10 17.533 2.868 -8.421 1.00 15.01 C ATOM 119 C ALA A 10 18.001 2.134 -9.658 1.00 72.14 C ATOM 120 O ALA A 10 17.746 2.583 -10.786 1.00 74.02 O ATOM 121 CB ALA A 10 18.569 3.890 -7.987 1.00 11.23 C ATOM 0 HA ALA A 10 16.608 3.378 -8.691 1.00 15.01 H new ATOM 0 HB1 ALA A 10 18.797 4.554 -8.821 1.00 11.23 H new ATOM 0 HB2 ALA A 10 18.177 4.474 -7.155 1.00 11.23 H new ATOM 0 HB3 ALA A 10 19.478 3.376 -7.674 1.00 11.23 H new ATOM 127 N THR A 11 18.649 0.998 -9.509 1.00 20.24 N ATOM 128 CA THR A 11 19.096 0.177 -10.663 1.00 63.34 C ATOM 129 C THR A 11 17.901 -0.339 -11.475 1.00 61.11 C ATOM 130 O THR A 11 18.041 -0.592 -12.642 1.00 62.12 O ATOM 131 CB THR A 11 19.916 -1.007 -10.187 1.00 35.22 C ATOM 132 OG1 THR A 11 20.418 -0.740 -8.863 1.00 63.24 O ATOM 133 CG2 THR A 11 21.063 -1.305 -11.118 1.00 42.35 C ATOM 0 H THR A 11 18.889 0.602 -8.600 1.00 20.24 H new ATOM 0 HA THR A 11 19.707 0.816 -11.300 1.00 63.34 H new ATOM 0 HB THR A 11 19.267 -1.883 -10.172 1.00 35.22 H new ATOM 0 HG1 THR A 11 20.947 -1.505 -8.553 1.00 63.24 H new ATOM 0 HG21 THR A 11 21.625 -2.160 -10.741 1.00 42.35 H new ATOM 0 HG22 THR A 11 20.676 -1.535 -12.111 1.00 42.35 H new ATOM 0 HG23 THR A 11 21.719 -0.437 -11.177 1.00 42.35 H new ATOM 141 N GLU A 12 16.763 -0.588 -10.839 1.00 14.04 N ATOM 142 CA GLU A 12 15.657 -1.187 -11.525 1.00 12.40 C ATOM 143 C GLU A 12 15.158 -0.340 -12.647 1.00 52.24 C ATOM 144 O GLU A 12 14.735 -0.896 -13.681 1.00 52.31 O ATOM 145 CB GLU A 12 14.527 -1.379 -10.551 1.00 71.12 C ATOM 146 CG GLU A 12 14.922 -2.265 -9.396 1.00 41.00 C ATOM 147 CD GLU A 12 13.843 -2.549 -8.434 1.00 53.42 C ATOM 148 OE1 GLU A 12 12.668 -2.241 -8.687 1.00 32.31 O ATOM 149 OE2 GLU A 12 14.213 -2.990 -7.330 1.00 63.13 O ATOM 0 H GLU A 12 16.595 -0.381 -9.854 1.00 14.04 H new ATOM 0 HA GLU A 12 16.003 -2.134 -11.938 1.00 12.40 H new ATOM 0 HB2 GLU A 12 14.207 -0.409 -10.171 1.00 71.12 H new ATOM 0 HB3 GLU A 12 13.673 -1.816 -11.068 1.00 71.12 H new ATOM 0 HG2 GLU A 12 15.293 -3.210 -9.793 1.00 41.00 H new ATOM 0 HG3 GLU A 12 15.749 -1.796 -8.864 1.00 41.00 H new ATOM 156 N LYS A 13 15.302 0.977 -12.508 1.00 34.32 N ATOM 157 CA LYS A 13 14.894 1.865 -13.609 1.00 42.03 C ATOM 158 C LYS A 13 15.792 1.678 -14.820 1.00 72.43 C ATOM 159 O LYS A 13 15.360 1.878 -15.933 1.00 33.23 O ATOM 160 CB LYS A 13 14.870 3.295 -13.109 1.00 4.24 C ATOM 161 CG LYS A 13 16.211 4.016 -13.243 1.00 63.51 C ATOM 162 CD LYS A 13 16.243 5.307 -12.476 1.00 51.15 C ATOM 163 CE LYS A 13 17.590 5.983 -12.711 1.00 51.24 C ATOM 164 NZ LYS A 13 17.692 7.306 -12.009 1.00 62.20 N ATOM 0 H LYS A 13 15.681 1.443 -11.684 1.00 34.32 H new ATOM 0 HA LYS A 13 13.888 1.608 -13.940 1.00 42.03 H new ATOM 0 HB2 LYS A 13 14.112 3.851 -13.661 1.00 4.24 H new ATOM 0 HB3 LYS A 13 14.568 3.299 -12.062 1.00 4.24 H new ATOM 0 HG2 LYS A 13 17.009 3.364 -12.886 1.00 63.51 H new ATOM 0 HG3 LYS A 13 16.410 4.216 -14.296 1.00 63.51 H new ATOM 0 HD2 LYS A 13 15.432 5.959 -12.800 1.00 51.15 H new ATOM 0 HD3 LYS A 13 16.095 5.118 -11.413 1.00 51.15 H new ATOM 0 HE2 LYS A 13 18.389 5.327 -12.364 1.00 51.24 H new ATOM 0 HE3 LYS A 13 17.739 6.129 -13.781 1.00 51.24 H new ATOM 0 HZ1 LYS A 13 18.624 7.728 -12.197 1.00 62.20 H new ATOM 0 HZ2 LYS A 13 16.947 7.942 -12.358 1.00 62.20 H new ATOM 0 HZ3 LYS A 13 17.576 7.166 -10.985 1.00 62.20 H new ATOM 178 N VAL A 14 17.069 1.397 -14.591 1.00 2.44 N ATOM 179 CA VAL A 14 18.052 1.270 -15.694 1.00 52.24 C ATOM 180 C VAL A 14 17.789 -0.078 -16.361 1.00 22.43 C ATOM 181 O VAL A 14 17.827 -0.202 -17.574 1.00 51.15 O ATOM 182 CB VAL A 14 19.517 1.522 -15.230 1.00 14.22 C ATOM 183 CG1 VAL A 14 19.583 2.502 -14.034 1.00 65.35 C ATOM 184 CG2 VAL A 14 20.250 0.262 -14.842 1.00 32.12 C ATOM 0 H VAL A 14 17.461 1.251 -13.661 1.00 2.44 H new ATOM 0 HA VAL A 14 17.922 2.054 -16.440 1.00 52.24 H new ATOM 0 HB VAL A 14 20.008 1.955 -16.102 1.00 14.22 H new ATOM 0 HG11 VAL A 14 20.623 2.650 -13.742 1.00 65.35 H new ATOM 0 HG12 VAL A 14 19.147 3.459 -14.323 1.00 65.35 H new ATOM 0 HG13 VAL A 14 19.025 2.089 -13.194 1.00 65.35 H new ATOM 0 HG21 VAL A 14 21.264 0.512 -14.529 1.00 32.12 H new ATOM 0 HG22 VAL A 14 19.726 -0.225 -14.019 1.00 32.12 H new ATOM 0 HG23 VAL A 14 20.290 -0.413 -15.697 1.00 32.12 H new ATOM 194 N LEU A 15 17.509 -1.085 -15.560 1.00 42.42 N ATOM 195 CA LEU A 15 17.276 -2.429 -16.063 1.00 71.25 C ATOM 196 C LEU A 15 15.959 -2.459 -16.859 1.00 22.13 C ATOM 197 O LEU A 15 15.917 -3.034 -17.929 1.00 33.30 O ATOM 198 CB LEU A 15 17.208 -3.401 -14.894 1.00 44.11 C ATOM 199 CG LEU A 15 18.501 -3.484 -14.110 1.00 34.25 C ATOM 200 CD1 LEU A 15 18.202 -4.001 -12.747 1.00 42.01 C ATOM 201 CD2 LEU A 15 19.491 -4.385 -14.789 1.00 75.33 C ATOM 0 H LEU A 15 17.436 -0.999 -14.546 1.00 42.42 H new ATOM 0 HA LEU A 15 18.093 -2.723 -16.722 1.00 71.25 H new ATOM 0 HB2 LEU A 15 16.404 -3.098 -14.224 1.00 44.11 H new ATOM 0 HB3 LEU A 15 16.954 -4.392 -15.269 1.00 44.11 H new ATOM 0 HG LEU A 15 18.941 -2.489 -14.050 1.00 34.25 H new ATOM 0 HD11 LEU A 15 19.126 -4.066 -12.172 1.00 42.01 H new ATOM 0 HD12 LEU A 15 17.509 -3.326 -12.246 1.00 42.01 H new ATOM 0 HD13 LEU A 15 17.752 -4.991 -12.824 1.00 42.01 H new ATOM 0 HD21 LEU A 15 20.409 -4.424 -14.203 1.00 75.33 H new ATOM 0 HD22 LEU A 15 19.072 -5.387 -14.874 1.00 75.33 H new ATOM 0 HD23 LEU A 15 19.712 -3.998 -15.784 1.00 75.33 H new ATOM 213 N CYS A 16 14.940 -1.782 -16.338 1.00 33.21 N ATOM 214 CA CYS A 16 13.685 -1.603 -17.024 1.00 62.30 C ATOM 215 C CYS A 16 13.879 -0.980 -18.416 1.00 20.41 C ATOM 216 O CYS A 16 13.258 -1.429 -19.398 1.00 34.12 O ATOM 217 CB CYS A 16 12.761 -0.705 -16.159 1.00 1.44 C ATOM 218 SG CYS A 16 11.486 0.228 -17.073 1.00 33.23 S ATOM 0 H CYS A 16 14.972 -1.342 -15.418 1.00 33.21 H new ATOM 0 HA CYS A 16 13.228 -2.582 -17.170 1.00 62.30 H new ATOM 0 HB2 CYS A 16 12.265 -1.332 -15.418 1.00 1.44 H new ATOM 0 HB3 CYS A 16 13.382 0.004 -15.612 1.00 1.44 H new ATOM 0 HG CYS A 16 10.350 -0.400 -16.996 1.00 33.23 H new ATOM 224 N ALA A 17 14.732 0.040 -18.516 1.00 74.43 N ATOM 225 CA ALA A 17 15.003 0.666 -19.814 1.00 42.42 C ATOM 226 C ALA A 17 15.657 -0.321 -20.787 1.00 52.52 C ATOM 227 O ALA A 17 15.246 -0.432 -21.909 1.00 70.52 O ATOM 228 CB ALA A 17 15.957 1.886 -19.594 1.00 74.02 C ATOM 0 H ALA A 17 15.240 0.446 -17.730 1.00 74.43 H new ATOM 0 HA ALA A 17 14.057 0.989 -20.248 1.00 42.42 H new ATOM 0 HB1 ALA A 17 16.167 2.361 -20.552 1.00 74.02 H new ATOM 0 HB2 ALA A 17 15.480 2.606 -18.929 1.00 74.02 H new ATOM 0 HB3 ALA A 17 16.890 1.542 -19.147 1.00 74.02 H new ATOM 234 N LEU A 18 16.637 -1.065 -20.290 1.00 74.21 N ATOM 235 CA LEU A 18 17.356 -2.041 -21.068 1.00 3.33 C ATOM 236 C LEU A 18 16.456 -3.179 -21.539 1.00 44.13 C ATOM 237 O LEU A 18 16.599 -3.678 -22.660 1.00 12.54 O ATOM 238 CB LEU A 18 18.474 -2.720 -20.211 1.00 35.24 C ATOM 239 CG LEU A 18 19.972 -2.248 -20.333 1.00 22.13 C ATOM 240 CD1 LEU A 18 20.204 -1.391 -21.537 1.00 3.13 C ATOM 241 CD2 LEU A 18 20.426 -1.429 -19.068 1.00 1.33 C ATOM 0 H LEU A 18 16.952 -1.000 -19.322 1.00 74.21 H new ATOM 0 HA LEU A 18 17.764 -1.493 -21.917 1.00 3.33 H new ATOM 0 HB2 LEU A 18 18.187 -2.613 -19.165 1.00 35.24 H new ATOM 0 HB3 LEU A 18 18.453 -3.785 -20.440 1.00 35.24 H new ATOM 0 HG LEU A 18 20.557 -3.163 -20.421 1.00 22.13 H new ATOM 0 HD11 LEU A 18 21.252 -1.092 -21.575 1.00 3.13 H new ATOM 0 HD12 LEU A 18 19.954 -1.953 -22.437 1.00 3.13 H new ATOM 0 HD13 LEU A 18 19.575 -0.502 -21.478 1.00 3.13 H new ATOM 0 HD21 LEU A 18 21.464 -1.120 -19.188 1.00 1.33 H new ATOM 0 HD22 LEU A 18 19.795 -0.547 -18.960 1.00 1.33 H new ATOM 0 HD23 LEU A 18 20.333 -2.052 -18.179 1.00 1.33 H new ATOM 253 N TYR A 19 15.480 -3.554 -20.725 1.00 33.31 N ATOM 254 CA TYR A 19 14.521 -4.609 -21.110 1.00 40.31 C ATOM 255 C TYR A 19 13.684 -4.080 -22.266 1.00 75.33 C ATOM 256 O TYR A 19 13.508 -4.777 -23.261 1.00 52.32 O ATOM 257 CB TYR A 19 13.581 -4.950 -19.948 1.00 4.05 C ATOM 258 CG TYR A 19 14.076 -6.017 -18.997 1.00 11.42 C ATOM 259 CD1 TYR A 19 15.394 -6.001 -18.479 1.00 0.34 C ATOM 260 CD2 TYR A 19 13.213 -7.053 -18.596 1.00 4.23 C ATOM 261 CE1 TYR A 19 15.824 -6.996 -17.568 1.00 41.34 C ATOM 262 CE2 TYR A 19 13.649 -8.053 -17.694 1.00 43.22 C ATOM 263 CZ TYR A 19 14.946 -8.010 -17.187 1.00 42.45 C ATOM 264 OH TYR A 19 15.382 -8.976 -16.320 1.00 54.12 O ATOM 0 H TYR A 19 15.322 -3.155 -19.800 1.00 33.31 H new ATOM 0 HA TYR A 19 15.071 -5.508 -21.388 1.00 40.31 H new ATOM 0 HB2 TYR A 19 13.392 -4.040 -19.378 1.00 4.05 H new ATOM 0 HB3 TYR A 19 12.625 -5.272 -20.360 1.00 4.05 H new ATOM 0 HD1 TYR A 19 16.078 -5.222 -18.782 1.00 0.34 H new ATOM 0 HD2 TYR A 19 12.205 -7.086 -18.981 1.00 4.23 H new ATOM 0 HE1 TYR A 19 16.828 -6.970 -17.170 1.00 41.34 H new ATOM 0 HE2 TYR A 19 12.978 -8.847 -17.400 1.00 43.22 H new ATOM 0 HH TYR A 19 14.775 -9.744 -16.354 1.00 54.12 H new ATOM 274 N ALA A 20 13.156 -2.866 -22.123 1.00 71.33 N ATOM 275 CA ALA A 20 12.280 -2.291 -23.131 1.00 34.33 C ATOM 276 C ALA A 20 12.992 -2.075 -24.469 1.00 34.12 C ATOM 277 O ALA A 20 12.404 -2.275 -25.523 1.00 62.35 O ATOM 278 CB ALA A 20 11.705 -0.955 -22.614 1.00 52.41 C ATOM 0 H ALA A 20 13.322 -2.264 -21.316 1.00 71.33 H new ATOM 0 HA ALA A 20 11.473 -3.001 -23.310 1.00 34.33 H new ATOM 0 HB1 ALA A 20 11.048 -0.525 -23.370 1.00 52.41 H new ATOM 0 HB2 ALA A 20 11.138 -1.132 -21.700 1.00 52.41 H new ATOM 0 HB3 ALA A 20 12.522 -0.263 -22.406 1.00 52.41 H new ATOM 284 N GLU A 21 14.252 -1.677 -24.415 1.00 52.52 N ATOM 285 CA GLU A 21 15.041 -1.418 -25.623 1.00 71.05 C ATOM 286 C GLU A 21 15.187 -2.666 -26.485 1.00 21.13 C ATOM 287 O GLU A 21 15.144 -2.613 -27.705 1.00 34.34 O ATOM 288 CB GLU A 21 16.447 -0.940 -25.244 1.00 1.12 C ATOM 289 CG GLU A 21 16.528 0.533 -24.864 1.00 71.43 C ATOM 290 CD GLU A 21 17.310 1.349 -25.884 1.00 62.23 C ATOM 291 OE1 GLU A 21 18.521 1.062 -26.075 1.00 30.50 O ATOM 292 OE2 GLU A 21 16.727 2.266 -26.501 1.00 21.53 O ATOM 0 H GLU A 21 14.760 -1.523 -23.544 1.00 52.52 H new ATOM 0 HA GLU A 21 14.510 -0.653 -26.189 1.00 71.05 H new ATOM 0 HB2 GLU A 21 16.809 -1.539 -24.408 1.00 1.12 H new ATOM 0 HB3 GLU A 21 17.119 -1.124 -26.082 1.00 1.12 H new ATOM 0 HG2 GLU A 21 15.520 0.939 -24.773 1.00 71.43 H new ATOM 0 HG3 GLU A 21 17.000 0.629 -23.886 1.00 71.43 H new ATOM 299 N ILE A 22 15.385 -3.799 -25.840 1.00 14.15 N ATOM 300 CA ILE A 22 15.620 -5.052 -26.549 1.00 60.22 C ATOM 301 C ILE A 22 14.299 -5.677 -26.983 1.00 1.41 C ATOM 302 O ILE A 22 14.206 -6.253 -28.069 1.00 15.42 O ATOM 303 CB ILE A 22 16.410 -6.022 -25.631 1.00 21.24 C ATOM 304 CG1 ILE A 22 17.818 -5.441 -25.403 1.00 22.12 C ATOM 305 CG2 ILE A 22 16.515 -7.451 -26.239 1.00 23.10 C ATOM 306 CD1 ILE A 22 18.604 -6.166 -24.387 1.00 41.02 C ATOM 0 H ILE A 22 15.389 -3.883 -24.823 1.00 14.15 H new ATOM 0 HA ILE A 22 16.206 -4.853 -27.446 1.00 60.22 H new ATOM 0 HB ILE A 22 15.875 -6.117 -24.686 1.00 21.24 H new ATOM 0 HG12 ILE A 22 18.363 -5.453 -26.347 1.00 22.12 H new ATOM 0 HG13 ILE A 22 17.726 -4.398 -25.101 1.00 22.12 H new ATOM 0 HG21 ILE A 22 17.076 -8.094 -25.561 1.00 23.10 H new ATOM 0 HG22 ILE A 22 15.515 -7.860 -26.382 1.00 23.10 H new ATOM 0 HG23 ILE A 22 17.028 -7.401 -27.200 1.00 23.10 H new ATOM 0 HD11 ILE A 22 19.583 -5.698 -24.282 1.00 41.02 H new ATOM 0 HD12 ILE A 22 18.082 -6.132 -23.431 1.00 41.02 H new ATOM 0 HD13 ILE A 22 18.729 -7.204 -24.696 1.00 41.02 H new ATOM 318 N LEU A 23 13.278 -5.572 -26.148 1.00 34.45 N ATOM 319 CA LEU A 23 11.986 -6.190 -26.458 1.00 44.22 C ATOM 320 C LEU A 23 11.145 -5.331 -27.400 1.00 15.13 C ATOM 321 O LEU A 23 10.177 -5.820 -27.993 1.00 50.15 O ATOM 322 CB LEU A 23 11.202 -6.473 -25.166 1.00 4.54 C ATOM 323 CG LEU A 23 11.471 -7.824 -24.453 1.00 51.04 C ATOM 324 CD1 LEU A 23 10.973 -8.978 -25.313 1.00 24.43 C ATOM 325 CD2 LEU A 23 12.932 -8.072 -24.082 1.00 63.02 C ATOM 0 H LEU A 23 13.311 -5.072 -25.259 1.00 34.45 H new ATOM 0 HA LEU A 23 12.196 -7.130 -26.969 1.00 44.22 H new ATOM 0 HB2 LEU A 23 11.415 -5.670 -24.460 1.00 4.54 H new ATOM 0 HB3 LEU A 23 10.138 -6.420 -25.398 1.00 4.54 H new ATOM 0 HG LEU A 23 10.923 -7.765 -23.513 1.00 51.04 H new ATOM 0 HD11 LEU A 23 11.167 -9.922 -24.803 1.00 24.43 H new ATOM 0 HD12 LEU A 23 9.902 -8.870 -25.482 1.00 24.43 H new ATOM 0 HD13 LEU A 23 11.494 -8.969 -26.271 1.00 24.43 H new ATOM 0 HD21 LEU A 23 13.023 -9.040 -23.589 1.00 63.02 H new ATOM 0 HD22 LEU A 23 13.543 -8.066 -24.985 1.00 63.02 H new ATOM 0 HD23 LEU A 23 13.274 -7.287 -23.407 1.00 63.02 H new ATOM 337 N GLY A 24 11.513 -4.069 -27.572 1.00 32.34 N ATOM 338 CA GLY A 24 10.791 -3.193 -28.501 1.00 20.34 C ATOM 339 C GLY A 24 9.482 -2.679 -27.990 1.00 70.34 C ATOM 340 O GLY A 24 8.533 -2.509 -28.732 1.00 75.13 O ATOM 0 H GLY A 24 12.296 -3.628 -27.090 1.00 32.34 H new ATOM 0 HA2 GLY A 24 11.428 -2.343 -28.746 1.00 20.34 H new ATOM 0 HA3 GLY A 24 10.614 -3.737 -29.429 1.00 20.34 H new ATOM 344 N VAL A 25 9.414 -2.426 -26.689 1.00 63.20 N ATOM 345 CA VAL A 25 8.154 -2.039 -26.025 1.00 51.23 C ATOM 346 C VAL A 25 8.292 -0.560 -25.544 1.00 62.21 C ATOM 347 O VAL A 25 9.424 -0.086 -25.251 1.00 73.32 O ATOM 348 CB VAL A 25 7.698 -2.886 -24.915 1.00 43.23 C ATOM 349 CG1 VAL A 25 7.848 -4.386 -25.308 1.00 45.13 C ATOM 350 CG2 VAL A 25 8.511 -2.706 -23.619 1.00 2.33 C ATOM 0 H VAL A 25 10.216 -2.480 -26.061 1.00 63.20 H new ATOM 0 HA VAL A 25 7.378 -2.172 -26.779 1.00 51.23 H new ATOM 0 HB VAL A 25 6.666 -2.588 -24.731 1.00 43.23 H new ATOM 0 HG11 VAL A 25 7.509 -5.014 -24.484 1.00 45.13 H new ATOM 0 HG12 VAL A 25 7.245 -4.592 -26.193 1.00 45.13 H new ATOM 0 HG13 VAL A 25 8.894 -4.603 -25.523 1.00 45.13 H new ATOM 0 HG21 VAL A 25 8.114 -3.364 -22.846 1.00 2.33 H new ATOM 0 HG22 VAL A 25 9.555 -2.955 -23.807 1.00 2.33 H new ATOM 0 HG23 VAL A 25 8.439 -1.671 -23.285 1.00 2.33 H new ATOM 360 N GLU A 26 7.208 0.104 -25.339 1.00 42.34 N ATOM 361 CA GLU A 26 7.205 1.520 -24.883 1.00 31.43 C ATOM 362 C GLU A 26 7.253 1.609 -23.354 1.00 32.41 C ATOM 363 O GLU A 26 7.550 2.662 -22.815 1.00 75.33 O ATOM 364 CB GLU A 26 5.924 2.169 -25.405 1.00 0.32 C ATOM 365 CG GLU A 26 4.608 1.657 -24.867 1.00 43.12 C ATOM 366 CD GLU A 26 3.535 2.709 -24.690 1.00 2.21 C ATOM 367 OE1 GLU A 26 2.953 3.199 -25.670 1.00 53.12 O ATOM 368 OE2 GLU A 26 3.306 3.078 -23.507 1.00 24.03 O ATOM 0 H GLU A 26 6.276 -0.288 -25.473 1.00 42.34 H new ATOM 0 HA GLU A 26 8.087 2.034 -25.266 1.00 31.43 H new ATOM 0 HB2 GLU A 26 5.979 3.237 -25.195 1.00 0.32 H new ATOM 0 HB3 GLU A 26 5.909 2.058 -26.489 1.00 0.32 H new ATOM 0 HG2 GLU A 26 4.233 0.887 -25.541 1.00 43.12 H new ATOM 0 HG3 GLU A 26 4.788 1.178 -23.904 1.00 43.12 H new ATOM 375 N ARG A 27 6.923 0.517 -22.697 1.00 52.04 N ATOM 376 CA ARG A 27 6.750 0.495 -21.241 1.00 31.24 C ATOM 377 C ARG A 27 6.878 -0.924 -20.759 1.00 61.22 C ATOM 378 O ARG A 27 6.349 -1.828 -21.393 1.00 33.30 O ATOM 379 CB ARG A 27 5.361 1.043 -20.948 1.00 73.21 C ATOM 380 CG ARG A 27 5.143 1.544 -19.529 1.00 20.22 C ATOM 381 CD ARG A 27 3.722 2.104 -19.421 1.00 34.12 C ATOM 382 NE ARG A 27 3.459 3.068 -20.509 1.00 74.31 N ATOM 383 CZ ARG A 27 3.737 4.363 -20.487 1.00 21.21 C ATOM 384 NH1 ARG A 27 4.229 4.964 -19.430 1.00 64.21 N ATOM 385 NH2 ARG A 27 3.521 5.060 -21.557 1.00 45.15 N ATOM 0 H ARG A 27 6.765 -0.385 -23.147 1.00 52.04 H new ATOM 0 HA ARG A 27 7.502 1.098 -20.732 1.00 31.24 H new ATOM 0 HB2 ARG A 27 5.159 1.861 -21.639 1.00 73.21 H new ATOM 0 HB3 ARG A 27 4.630 0.262 -21.156 1.00 73.21 H new ATOM 0 HG2 ARG A 27 5.285 0.732 -18.815 1.00 20.22 H new ATOM 0 HG3 ARG A 27 5.873 2.315 -19.284 1.00 20.22 H new ATOM 0 HD2 ARG A 27 3.000 1.289 -19.467 1.00 34.12 H new ATOM 0 HD3 ARG A 27 3.590 2.592 -18.455 1.00 34.12 H new ATOM 0 HE ARG A 27 3.023 2.703 -21.356 1.00 74.31 H new ATOM 0 HH11 ARG A 27 4.413 4.431 -18.580 1.00 64.21 H new ATOM 0 HH12 ARG A 27 4.428 5.964 -19.458 1.00 64.21 H new ATOM 0 HH21 ARG A 27 3.145 4.610 -22.392 1.00 45.15 H new ATOM 0 HH22 ARG A 27 3.727 6.059 -21.565 1.00 45.15 H new ATOM 399 N VAL A 28 7.549 -1.116 -19.637 1.00 12.34 N ATOM 400 CA VAL A 28 7.727 -2.443 -19.067 1.00 42.14 C ATOM 401 C VAL A 28 7.789 -2.265 -17.549 1.00 64.54 C ATOM 402 O VAL A 28 8.230 -1.211 -17.068 1.00 21.04 O ATOM 403 CB VAL A 28 9.017 -3.121 -19.641 1.00 3.42 C ATOM 404 CG1 VAL A 28 10.298 -2.486 -19.076 1.00 74.02 C ATOM 405 CG2 VAL A 28 9.013 -4.605 -19.403 1.00 31.32 C ATOM 0 H VAL A 28 7.983 -0.366 -19.099 1.00 12.34 H new ATOM 0 HA VAL A 28 6.902 -3.106 -19.328 1.00 42.14 H new ATOM 0 HB VAL A 28 9.009 -2.950 -20.718 1.00 3.42 H new ATOM 0 HG11 VAL A 28 11.169 -2.986 -19.500 1.00 74.02 H new ATOM 0 HG12 VAL A 28 10.325 -1.428 -19.336 1.00 74.02 H new ATOM 0 HG13 VAL A 28 10.310 -2.594 -17.991 1.00 74.02 H new ATOM 0 HG21 VAL A 28 9.923 -5.042 -19.814 1.00 31.32 H new ATOM 0 HG22 VAL A 28 8.968 -4.802 -18.332 1.00 31.32 H new ATOM 0 HG23 VAL A 28 8.145 -5.049 -19.890 1.00 31.32 H new ATOM 415 N GLY A 29 7.302 -3.239 -16.797 1.00 14.41 N ATOM 416 CA GLY A 29 7.329 -3.170 -15.344 1.00 12.32 C ATOM 417 C GLY A 29 8.641 -3.710 -14.816 1.00 12.34 C ATOM 418 O GLY A 29 9.410 -4.336 -15.532 1.00 22.35 O ATOM 0 H GLY A 29 6.882 -4.090 -17.170 1.00 14.41 H new ATOM 0 HA2 GLY A 29 7.196 -2.138 -15.020 1.00 12.32 H new ATOM 0 HA3 GLY A 29 6.499 -3.743 -14.931 1.00 12.32 H new ATOM 422 N VAL A 30 8.898 -3.494 -13.536 1.00 73.32 N ATOM 423 CA VAL A 30 10.102 -4.043 -12.892 1.00 13.45 C ATOM 424 C VAL A 30 9.843 -5.467 -12.434 1.00 55.21 C ATOM 425 O VAL A 30 10.743 -6.163 -11.969 1.00 44.50 O ATOM 426 CB VAL A 30 10.584 -3.180 -11.718 1.00 50.13 C ATOM 427 CG1 VAL A 30 10.997 -1.823 -12.239 1.00 30.53 C ATOM 428 CG2 VAL A 30 9.490 -2.984 -10.632 1.00 42.01 C ATOM 0 H VAL A 30 8.299 -2.947 -12.917 1.00 73.32 H new ATOM 0 HA VAL A 30 10.899 -4.040 -13.635 1.00 13.45 H new ATOM 0 HB VAL A 30 11.423 -3.700 -11.255 1.00 50.13 H new ATOM 0 HG11 VAL A 30 11.341 -1.204 -11.410 1.00 30.53 H new ATOM 0 HG12 VAL A 30 11.804 -1.941 -12.962 1.00 30.53 H new ATOM 0 HG13 VAL A 30 10.145 -1.343 -12.721 1.00 30.53 H new ATOM 0 HG21 VAL A 30 9.885 -2.366 -9.825 1.00 42.01 H new ATOM 0 HG22 VAL A 30 8.623 -2.493 -11.074 1.00 42.01 H new ATOM 0 HG23 VAL A 30 9.194 -3.955 -10.234 1.00 42.01 H new ATOM 438 N ASP A 31 8.593 -5.876 -12.574 1.00 73.44 N ATOM 439 CA ASP A 31 8.088 -7.188 -12.172 1.00 32.01 C ATOM 440 C ASP A 31 7.771 -8.024 -13.392 1.00 71.43 C ATOM 441 O ASP A 31 7.408 -9.202 -13.293 1.00 51.32 O ATOM 442 CB ASP A 31 6.851 -6.990 -11.269 1.00 55.30 C ATOM 443 CG ASP A 31 5.763 -6.093 -11.902 1.00 3.24 C ATOM 444 OD1 ASP A 31 6.080 -4.956 -12.358 1.00 42.33 O ATOM 445 OD2 ASP A 31 4.584 -6.477 -11.824 1.00 74.42 O ATOM 0 H ASP A 31 7.871 -5.285 -12.986 1.00 73.44 H new ATOM 0 HA ASP A 31 8.847 -7.727 -11.605 1.00 32.01 H new ATOM 0 HB2 ASP A 31 6.419 -7.964 -11.039 1.00 55.30 H new ATOM 0 HB3 ASP A 31 7.168 -6.551 -10.323 1.00 55.30 H new ATOM 450 N ASP A 32 7.977 -7.439 -14.569 1.00 21.53 N ATOM 451 CA ASP A 32 7.815 -8.170 -15.854 1.00 42.40 C ATOM 452 C ASP A 32 9.015 -9.043 -16.044 1.00 4.42 C ATOM 453 O ASP A 32 10.166 -8.597 -16.017 1.00 71.30 O ATOM 454 CB ASP A 32 7.737 -7.181 -17.033 1.00 21.33 C ATOM 455 CG ASP A 32 6.383 -6.489 -17.147 1.00 23.21 C ATOM 456 OD1 ASP A 32 5.450 -6.873 -16.418 1.00 32.33 O ATOM 457 OD2 ASP A 32 6.264 -5.545 -17.952 1.00 12.14 O ATOM 0 H ASP A 32 8.256 -6.464 -14.675 1.00 21.53 H new ATOM 0 HA ASP A 32 6.897 -8.757 -15.824 1.00 42.40 H new ATOM 0 HB2 ASP A 32 8.515 -6.426 -16.918 1.00 21.33 H new ATOM 0 HB3 ASP A 32 7.945 -7.714 -17.961 1.00 21.33 H new ATOM 462 N ALA A 33 8.746 -10.321 -16.199 1.00 15.54 N ATOM 463 CA ALA A 33 9.812 -11.272 -16.421 1.00 50.20 C ATOM 464 C ALA A 33 10.250 -11.121 -17.873 1.00 5.01 C ATOM 465 O ALA A 33 9.427 -10.967 -18.761 1.00 23.13 O ATOM 466 CB ALA A 33 9.314 -12.670 -16.127 1.00 35.42 C ATOM 0 H ALA A 33 7.809 -10.722 -16.176 1.00 15.54 H new ATOM 0 HA ALA A 33 10.661 -11.090 -15.762 1.00 50.20 H new ATOM 0 HB1 ALA A 33 10.119 -13.386 -16.295 1.00 35.42 H new ATOM 0 HB2 ALA A 33 8.987 -12.729 -15.089 1.00 35.42 H new ATOM 0 HB3 ALA A 33 8.477 -12.904 -16.785 1.00 35.42 H new ATOM 472 N PHE A 34 11.546 -11.232 -18.114 1.00 22.54 N ATOM 473 CA PHE A 34 12.092 -11.124 -19.461 1.00 25.14 C ATOM 474 C PHE A 34 11.405 -12.120 -20.400 1.00 41.42 C ATOM 475 O PHE A 34 11.137 -11.822 -21.554 1.00 14.34 O ATOM 476 CB PHE A 34 13.604 -11.378 -19.417 1.00 5.21 C ATOM 477 CG PHE A 34 14.328 -10.988 -20.678 1.00 1.21 C ATOM 478 CD1 PHE A 34 14.751 -9.661 -20.874 1.00 2.32 C ATOM 479 CD2 PHE A 34 14.613 -11.949 -21.668 1.00 12.30 C ATOM 480 CE1 PHE A 34 15.460 -9.290 -22.041 1.00 33.24 C ATOM 481 CE2 PHE A 34 15.322 -11.589 -22.835 1.00 61.31 C ATOM 482 CZ PHE A 34 15.751 -10.253 -23.017 1.00 71.31 C ATOM 0 H PHE A 34 12.245 -11.398 -17.390 1.00 22.54 H new ATOM 0 HA PHE A 34 11.909 -10.120 -19.844 1.00 25.14 H new ATOM 0 HB2 PHE A 34 14.031 -10.825 -18.580 1.00 5.21 H new ATOM 0 HB3 PHE A 34 13.779 -12.436 -19.223 1.00 5.21 H new ATOM 0 HD1 PHE A 34 14.532 -8.915 -20.124 1.00 2.32 H new ATOM 0 HD2 PHE A 34 14.286 -12.970 -21.533 1.00 12.30 H new ATOM 0 HE1 PHE A 34 15.776 -8.267 -22.179 1.00 33.24 H new ATOM 0 HE2 PHE A 34 15.537 -12.333 -23.588 1.00 61.31 H new ATOM 0 HZ PHE A 34 16.301 -9.976 -23.905 1.00 71.31 H new ATOM 492 N HIS A 35 11.095 -13.295 -19.874 1.00 13.03 N ATOM 493 CA HIS A 35 10.415 -14.327 -20.649 1.00 10.53 C ATOM 494 C HIS A 35 8.901 -14.104 -20.814 1.00 43.34 C ATOM 495 O HIS A 35 8.320 -14.639 -21.749 1.00 14.15 O ATOM 496 CB HIS A 35 10.662 -15.700 -20.015 1.00 41.34 C ATOM 497 CG HIS A 35 10.258 -16.849 -20.889 1.00 30.02 C ATOM 498 ND1 HIS A 35 10.552 -16.948 -22.228 1.00 33.10 N ATOM 499 CD2 HIS A 35 9.548 -17.975 -20.600 1.00 65.32 C ATOM 500 CE1 HIS A 35 10.032 -18.082 -22.686 1.00 41.40 C ATOM 501 NE2 HIS A 35 9.420 -18.755 -21.733 1.00 33.53 N ATOM 0 H HIS A 35 11.303 -13.560 -18.911 1.00 13.03 H new ATOM 0 HA HIS A 35 10.841 -14.275 -21.651 1.00 10.53 H new ATOM 0 HB2 HIS A 35 11.721 -15.794 -19.773 1.00 41.34 H new ATOM 0 HB3 HIS A 35 10.114 -15.760 -19.075 1.00 41.34 H new ATOM 0 HD1 HIS A 35 11.079 -16.268 -22.776 1.00 33.10 H new ATOM 0 HD2 HIS A 35 9.145 -18.221 -19.629 1.00 65.32 H new ATOM 0 HE1 HIS A 35 10.102 -18.411 -23.712 1.00 41.40 H new ATOM 509 N ASP A 36 8.256 -13.312 -19.955 1.00 53.23 N ATOM 510 CA ASP A 36 6.807 -13.105 -20.086 1.00 62.43 C ATOM 511 C ASP A 36 6.572 -12.234 -21.309 1.00 45.43 C ATOM 512 O ASP A 36 5.613 -12.390 -22.053 1.00 24.44 O ATOM 513 CB ASP A 36 6.255 -12.431 -18.834 1.00 70.30 C ATOM 514 CG ASP A 36 4.750 -12.536 -18.735 1.00 21.30 C ATOM 515 OD1 ASP A 36 4.276 -13.574 -18.222 1.00 74.43 O ATOM 516 OD2 ASP A 36 4.049 -11.587 -19.124 1.00 50.12 O ATOM 0 H ASP A 36 8.696 -12.815 -19.181 1.00 53.23 H new ATOM 0 HA ASP A 36 6.294 -14.060 -20.201 1.00 62.43 H new ATOM 0 HB2 ASP A 36 6.706 -12.885 -17.952 1.00 70.30 H new ATOM 0 HB3 ASP A 36 6.543 -11.380 -18.834 1.00 70.30 H new ATOM 521 N LEU A 37 7.556 -11.380 -21.556 1.00 72.42 N ATOM 522 CA LEU A 37 7.588 -10.500 -22.719 1.00 62.31 C ATOM 523 C LEU A 37 7.960 -11.258 -24.000 1.00 50.24 C ATOM 524 O LEU A 37 8.145 -10.658 -25.053 1.00 11.14 O ATOM 525 CB LEU A 37 8.629 -9.405 -22.471 1.00 61.44 C ATOM 526 CG LEU A 37 8.436 -8.551 -21.210 1.00 31.33 C ATOM 527 CD1 LEU A 37 9.745 -7.848 -20.857 1.00 54.14 C ATOM 528 CD2 LEU A 37 7.322 -7.534 -21.431 1.00 73.50 C ATOM 0 H LEU A 37 8.367 -11.277 -20.946 1.00 72.42 H new ATOM 0 HA LEU A 37 6.593 -10.078 -22.856 1.00 62.31 H new ATOM 0 HB2 LEU A 37 9.612 -9.874 -22.419 1.00 61.44 H new ATOM 0 HB3 LEU A 37 8.638 -8.741 -23.335 1.00 61.44 H new ATOM 0 HG LEU A 37 8.151 -9.196 -20.379 1.00 31.33 H new ATOM 0 HD11 LEU A 37 9.603 -7.243 -19.961 1.00 54.14 H new ATOM 0 HD12 LEU A 37 10.520 -8.592 -20.673 1.00 54.14 H new ATOM 0 HD13 LEU A 37 10.048 -7.206 -21.684 1.00 54.14 H new ATOM 0 HD21 LEU A 37 7.194 -6.934 -20.530 1.00 73.50 H new ATOM 0 HD22 LEU A 37 7.583 -6.884 -22.266 1.00 73.50 H new ATOM 0 HD23 LEU A 37 6.392 -8.056 -21.655 1.00 73.50 H new ATOM 540 N GLY A 38 8.116 -12.573 -23.898 1.00 51.30 N ATOM 541 CA GLY A 38 8.499 -13.387 -25.040 1.00 60.44 C ATOM 542 C GLY A 38 10.005 -13.424 -25.244 1.00 55.23 C ATOM 543 O GLY A 38 10.505 -13.956 -26.241 1.00 3.02 O ATOM 0 H GLY A 38 7.982 -13.097 -23.033 1.00 51.30 H new ATOM 0 HA2 GLY A 38 8.129 -14.403 -24.900 1.00 60.44 H new ATOM 0 HA3 GLY A 38 8.023 -12.995 -25.939 1.00 60.44 H new ATOM 547 N GLY A 39 10.744 -12.866 -24.299 1.00 23.05 N ATOM 548 CA GLY A 39 12.183 -12.836 -24.411 1.00 11.20 C ATOM 549 C GLY A 39 12.785 -14.233 -24.370 1.00 51.54 C ATOM 550 O GLY A 39 12.319 -15.139 -23.687 1.00 43.12 O ATOM 0 H GLY A 39 10.370 -12.433 -23.455 1.00 23.05 H new ATOM 0 HA2 GLY A 39 12.464 -12.347 -25.344 1.00 11.20 H new ATOM 0 HA3 GLY A 39 12.598 -12.238 -23.600 1.00 11.20 H new ATOM 554 N SER A 40 13.862 -14.388 -25.141 1.00 44.54 N ATOM 555 CA SER A 40 14.588 -15.686 -25.255 1.00 22.33 C ATOM 556 C SER A 40 15.929 -15.610 -24.641 1.00 65.13 C ATOM 557 O SER A 40 16.454 -14.530 -24.479 1.00 63.14 O ATOM 558 CB SER A 40 14.698 -16.025 -26.764 1.00 3.51 C ATOM 559 OG SER A 40 14.656 -17.365 -26.979 1.00 62.33 O ATOM 0 H SER A 40 14.264 -13.638 -25.703 1.00 44.54 H new ATOM 0 HA SER A 40 14.043 -16.465 -24.722 1.00 22.33 H new ATOM 0 HB2 SER A 40 13.884 -15.543 -27.306 1.00 3.51 H new ATOM 0 HB3 SER A 40 15.629 -15.621 -27.161 1.00 3.51 H new ATOM 0 HG SER A 40 14.726 -17.544 -27.940 1.00 62.33 H new ATOM 565 N SER A 41 16.572 -16.751 -24.504 1.00 32.31 N ATOM 566 CA SER A 41 17.973 -16.786 -24.119 1.00 24.34 C ATOM 567 C SER A 41 18.835 -15.994 -25.127 1.00 75.41 C ATOM 568 O SER A 41 19.811 -15.375 -24.744 1.00 22.35 O ATOM 569 CB SER A 41 18.472 -18.241 -24.026 1.00 62.23 C ATOM 570 OG SER A 41 19.779 -18.289 -23.476 1.00 74.04 O ATOM 0 H SER A 41 16.150 -17.667 -24.653 1.00 32.31 H new ATOM 0 HA SER A 41 18.067 -16.320 -23.138 1.00 24.34 H new ATOM 0 HB2 SER A 41 17.790 -18.826 -23.408 1.00 62.23 H new ATOM 0 HB3 SER A 41 18.472 -18.695 -25.017 1.00 62.23 H new ATOM 0 HG SER A 41 20.078 -19.221 -23.424 1.00 74.04 H new ATOM 576 N ALA A 42 18.457 -15.990 -26.402 1.00 14.22 N ATOM 577 CA ALA A 42 19.229 -15.273 -27.426 1.00 74.41 C ATOM 578 C ALA A 42 19.223 -13.745 -27.163 1.00 63.33 C ATOM 579 O ALA A 42 20.267 -13.094 -27.224 1.00 63.43 O ATOM 580 CB ALA A 42 18.654 -15.572 -28.830 1.00 72.04 C ATOM 0 H ALA A 42 17.628 -16.469 -26.754 1.00 14.22 H new ATOM 0 HA ALA A 42 20.261 -15.621 -27.379 1.00 74.41 H new ATOM 0 HB1 ALA A 42 19.233 -15.036 -29.582 1.00 72.04 H new ATOM 0 HB2 ALA A 42 18.709 -16.643 -29.025 1.00 72.04 H new ATOM 0 HB3 ALA A 42 17.614 -15.248 -28.874 1.00 72.04 H new ATOM 586 N LEU A 43 18.036 -13.229 -26.852 1.00 41.13 N ATOM 587 CA LEU A 43 17.878 -11.823 -26.536 1.00 73.44 C ATOM 588 C LEU A 43 18.491 -11.522 -25.181 1.00 34.23 C ATOM 589 O LEU A 43 19.116 -10.487 -24.990 1.00 11.42 O ATOM 590 CB LEU A 43 16.392 -11.416 -26.485 1.00 32.15 C ATOM 591 CG LEU A 43 15.682 -11.183 -27.820 1.00 43.50 C ATOM 592 CD1 LEU A 43 15.515 -12.482 -28.688 1.00 61.02 C ATOM 593 CD2 LEU A 43 14.315 -10.606 -27.583 1.00 11.21 C ATOM 0 H LEU A 43 17.172 -13.770 -26.814 1.00 41.13 H new ATOM 0 HA LEU A 43 18.379 -11.259 -27.323 1.00 73.44 H new ATOM 0 HB2 LEU A 43 15.848 -12.191 -25.945 1.00 32.15 H new ATOM 0 HB3 LEU A 43 16.313 -10.502 -25.897 1.00 32.15 H new ATOM 0 HG LEU A 43 16.321 -10.494 -28.373 1.00 43.50 H new ATOM 0 HD11 LEU A 43 15.003 -12.235 -29.618 1.00 61.02 H new ATOM 0 HD12 LEU A 43 16.497 -12.898 -28.914 1.00 61.02 H new ATOM 0 HD13 LEU A 43 14.929 -13.216 -28.135 1.00 61.02 H new ATOM 0 HD21 LEU A 43 13.818 -10.444 -28.539 1.00 11.21 H new ATOM 0 HD22 LEU A 43 13.727 -11.299 -26.981 1.00 11.21 H new ATOM 0 HD23 LEU A 43 14.407 -9.656 -27.056 1.00 11.21 H new ATOM 605 N ALA A 44 18.446 -12.501 -24.271 1.00 63.43 N ATOM 606 CA ALA A 44 18.981 -12.334 -22.901 1.00 44.12 C ATOM 607 C ALA A 44 20.512 -12.173 -22.987 1.00 32.35 C ATOM 608 O ALA A 44 21.058 -11.455 -22.200 1.00 24.31 O ATOM 609 CB ALA A 44 18.593 -13.546 -22.070 1.00 1.14 C ATOM 0 H ALA A 44 18.045 -13.421 -24.452 1.00 63.43 H new ATOM 0 HA ALA A 44 18.567 -11.447 -22.422 1.00 44.12 H new ATOM 0 HB1 ALA A 44 18.982 -13.433 -21.058 1.00 1.14 H new ATOM 0 HB2 ALA A 44 17.507 -13.630 -22.034 1.00 1.14 H new ATOM 0 HB3 ALA A 44 19.011 -14.446 -22.521 1.00 1.14 H new ATOM 615 N MET A 45 21.184 -12.836 -23.933 1.00 11.12 N ATOM 616 CA MET A 45 22.625 -12.643 -24.095 1.00 41.41 C ATOM 617 C MET A 45 22.931 -11.203 -24.528 1.00 21.32 C ATOM 618 O MET A 45 23.942 -10.642 -24.140 1.00 70.31 O ATOM 619 CB MET A 45 23.207 -13.611 -25.117 1.00 53.23 C ATOM 620 CG MET A 45 23.194 -15.069 -24.677 1.00 34.13 C ATOM 621 SD MET A 45 24.281 -15.366 -23.254 1.00 14.22 S ATOM 622 CE MET A 45 24.078 -17.140 -23.070 1.00 10.13 C ATOM 0 H MET A 45 20.763 -13.498 -24.585 1.00 11.12 H new ATOM 0 HA MET A 45 23.088 -12.839 -23.128 1.00 41.41 H new ATOM 0 HB2 MET A 45 22.646 -13.519 -26.047 1.00 53.23 H new ATOM 0 HB3 MET A 45 24.234 -13.318 -25.334 1.00 53.23 H new ATOM 0 HG2 MET A 45 22.175 -15.360 -24.421 1.00 34.13 H new ATOM 0 HG3 MET A 45 23.506 -15.700 -25.509 1.00 34.13 H new ATOM 0 HE1 MET A 45 24.682 -17.491 -22.233 1.00 10.13 H new ATOM 0 HE2 MET A 45 23.029 -17.369 -22.881 1.00 10.13 H new ATOM 0 HE3 MET A 45 24.399 -17.640 -23.984 1.00 10.13 H new ATOM 632 N ARG A 46 22.037 -10.585 -25.290 1.00 35.32 N ATOM 633 CA ARG A 46 22.212 -9.180 -25.683 1.00 1.42 C ATOM 634 C ARG A 46 21.927 -8.270 -24.497 1.00 10.12 C ATOM 635 O ARG A 46 22.532 -7.214 -24.369 1.00 60.21 O ATOM 636 CB ARG A 46 21.309 -8.803 -26.863 1.00 51.11 C ATOM 637 CG ARG A 46 21.712 -9.467 -28.176 1.00 23.40 C ATOM 638 CD ARG A 46 20.867 -8.944 -29.336 1.00 2.44 C ATOM 639 NE ARG A 46 21.380 -9.428 -30.630 1.00 42.11 N ATOM 640 CZ ARG A 46 22.319 -8.828 -31.358 1.00 45.31 C ATOM 641 NH1 ARG A 46 22.908 -7.718 -30.977 1.00 13.21 N ATOM 642 NH2 ARG A 46 22.675 -9.356 -32.495 1.00 63.00 N ATOM 0 H ARG A 46 21.189 -11.024 -25.649 1.00 35.32 H new ATOM 0 HA ARG A 46 23.246 -9.050 -26.003 1.00 1.42 H new ATOM 0 HB2 ARG A 46 20.281 -9.079 -26.626 1.00 51.11 H new ATOM 0 HB3 ARG A 46 21.327 -7.721 -26.992 1.00 51.11 H new ATOM 0 HG2 ARG A 46 22.767 -9.277 -28.375 1.00 23.40 H new ATOM 0 HG3 ARG A 46 21.593 -10.547 -28.093 1.00 23.40 H new ATOM 0 HD2 ARG A 46 19.833 -9.264 -29.209 1.00 2.44 H new ATOM 0 HD3 ARG A 46 20.867 -7.854 -29.327 1.00 2.44 H new ATOM 0 HE ARG A 46 20.983 -10.293 -30.998 1.00 42.11 H new ATOM 0 HH11 ARG A 46 22.650 -7.282 -30.092 1.00 13.21 H new ATOM 0 HH12 ARG A 46 23.623 -7.292 -31.566 1.00 13.21 H new ATOM 0 HH21 ARG A 46 22.235 -10.218 -32.817 1.00 63.00 H new ATOM 0 HH22 ARG A 46 23.393 -8.907 -33.063 1.00 63.00 H new ATOM 656 N LEU A 47 21.038 -8.698 -23.613 1.00 55.43 N ATOM 657 CA LEU A 47 20.761 -7.961 -22.385 1.00 51.52 C ATOM 658 C LEU A 47 22.029 -7.876 -21.552 1.00 12.11 C ATOM 659 O LEU A 47 22.329 -6.833 -21.010 1.00 44.14 O ATOM 660 CB LEU A 47 19.637 -8.630 -21.596 1.00 45.41 C ATOM 661 CG LEU A 47 19.215 -7.907 -20.316 1.00 54.31 C ATOM 662 CD1 LEU A 47 18.561 -6.554 -20.577 1.00 61.41 C ATOM 663 CD2 LEU A 47 18.266 -8.797 -19.569 1.00 21.12 C ATOM 0 H LEU A 47 20.494 -9.554 -23.722 1.00 55.43 H new ATOM 0 HA LEU A 47 20.433 -6.953 -22.638 1.00 51.52 H new ATOM 0 HB2 LEU A 47 18.766 -8.723 -22.245 1.00 45.41 H new ATOM 0 HB3 LEU A 47 19.950 -9.641 -21.336 1.00 45.41 H new ATOM 0 HG LEU A 47 20.113 -7.702 -19.733 1.00 54.31 H new ATOM 0 HD11 LEU A 47 18.286 -6.094 -19.628 1.00 61.41 H new ATOM 0 HD12 LEU A 47 19.262 -5.907 -21.104 1.00 61.41 H new ATOM 0 HD13 LEU A 47 17.667 -6.693 -21.186 1.00 61.41 H new ATOM 0 HD21 LEU A 47 17.950 -8.303 -18.650 1.00 21.12 H new ATOM 0 HD22 LEU A 47 17.394 -9.001 -20.190 1.00 21.12 H new ATOM 0 HD23 LEU A 47 18.764 -9.735 -19.323 1.00 21.12 H new ATOM 675 N ILE A 48 22.798 -8.956 -21.502 1.00 23.32 N ATOM 676 CA ILE A 48 24.054 -8.957 -20.752 1.00 3.32 C ATOM 677 C ILE A 48 24.996 -7.923 -21.358 1.00 64.15 C ATOM 678 O ILE A 48 25.618 -7.151 -20.645 1.00 5.24 O ATOM 679 CB ILE A 48 24.755 -10.354 -20.771 1.00 3.02 C ATOM 680 CG1 ILE A 48 23.814 -11.434 -20.204 1.00 62.52 C ATOM 681 CG2 ILE A 48 26.085 -10.294 -19.978 1.00 31.45 C ATOM 682 CD1 ILE A 48 24.358 -12.858 -20.273 1.00 3.45 C ATOM 0 H ILE A 48 22.579 -9.837 -21.967 1.00 23.32 H new ATOM 0 HA ILE A 48 23.820 -8.716 -19.715 1.00 3.32 H new ATOM 0 HB ILE A 48 24.987 -10.621 -21.802 1.00 3.02 H new ATOM 0 HG12 ILE A 48 23.594 -11.194 -19.164 1.00 62.52 H new ATOM 0 HG13 ILE A 48 22.870 -11.394 -20.747 1.00 62.52 H new ATOM 0 HG21 ILE A 48 26.565 -11.272 -19.998 1.00 31.45 H new ATOM 0 HG22 ILE A 48 26.746 -9.556 -20.432 1.00 31.45 H new ATOM 0 HG23 ILE A 48 25.881 -10.011 -18.945 1.00 31.45 H new ATOM 0 HD11 ILE A 48 23.627 -13.548 -19.851 1.00 3.45 H new ATOM 0 HD12 ILE A 48 24.550 -13.124 -21.312 1.00 3.45 H new ATOM 0 HD13 ILE A 48 25.286 -12.921 -19.705 1.00 3.45 H new ATOM 694 N ALA A 49 25.083 -7.904 -22.681 1.00 45.21 N ATOM 695 CA ALA A 49 25.971 -6.975 -23.368 1.00 74.01 C ATOM 696 C ALA A 49 25.617 -5.517 -23.078 1.00 12.33 C ATOM 697 O ALA A 49 26.476 -4.732 -22.685 1.00 4.31 O ATOM 698 CB ALA A 49 25.948 -7.245 -24.882 1.00 61.51 C ATOM 0 H ALA A 49 24.552 -8.518 -23.298 1.00 45.21 H new ATOM 0 HA ALA A 49 26.979 -7.141 -22.988 1.00 74.01 H new ATOM 0 HB1 ALA A 49 26.615 -6.546 -25.386 1.00 61.51 H new ATOM 0 HB2 ALA A 49 26.279 -8.265 -25.075 1.00 61.51 H new ATOM 0 HB3 ALA A 49 24.934 -7.116 -25.259 1.00 61.51 H new ATOM 704 N ARG A 50 24.339 -5.167 -23.215 1.00 52.25 N ATOM 705 CA ARG A 50 23.916 -3.793 -22.977 1.00 33.24 C ATOM 706 C ARG A 50 24.057 -3.418 -21.510 1.00 23.10 C ATOM 707 O ARG A 50 24.503 -2.342 -21.182 1.00 54.32 O ATOM 708 CB ARG A 50 22.447 -3.581 -23.358 1.00 35.53 C ATOM 709 CG ARG A 50 22.111 -3.682 -24.852 1.00 2.41 C ATOM 710 CD ARG A 50 22.884 -2.660 -25.748 1.00 43.31 C ATOM 711 NE ARG A 50 22.900 -1.270 -25.221 1.00 41.20 N ATOM 712 CZ ARG A 50 21.926 -0.372 -25.339 1.00 64.32 C ATOM 713 NH1 ARG A 50 20.790 -0.646 -25.926 1.00 74.23 N ATOM 714 NH2 ARG A 50 22.102 0.823 -24.868 1.00 74.03 N ATOM 0 H ARG A 50 23.591 -5.806 -23.485 1.00 52.25 H new ATOM 0 HA ARG A 50 24.560 -3.168 -23.596 1.00 33.24 H new ATOM 0 HB2 ARG A 50 21.845 -4.314 -22.822 1.00 35.53 H new ATOM 0 HB3 ARG A 50 22.140 -2.597 -23.004 1.00 35.53 H new ATOM 0 HG2 ARG A 50 22.333 -4.692 -25.196 1.00 2.41 H new ATOM 0 HG3 ARG A 50 21.040 -3.528 -24.984 1.00 2.41 H new ATOM 0 HD2 ARG A 50 23.912 -3.003 -25.865 1.00 43.31 H new ATOM 0 HD3 ARG A 50 22.435 -2.654 -26.741 1.00 43.31 H new ATOM 0 HE ARG A 50 23.739 -0.977 -24.721 1.00 41.20 H new ATOM 0 HH11 ARG A 50 20.627 -1.576 -26.313 1.00 74.23 H new ATOM 0 HH12 ARG A 50 20.067 0.070 -25.997 1.00 74.23 H new ATOM 0 HH21 ARG A 50 22.981 1.067 -24.412 1.00 74.03 H new ATOM 0 HH22 ARG A 50 21.361 1.519 -24.953 1.00 74.03 H new ATOM 728 N ILE A 51 23.713 -4.340 -20.623 1.00 71.23 N ATOM 729 CA ILE A 51 23.897 -4.102 -19.187 1.00 5.51 C ATOM 730 C ILE A 51 25.372 -3.827 -18.903 1.00 34.01 C ATOM 731 O ILE A 51 25.707 -2.928 -18.134 1.00 12.03 O ATOM 732 CB ILE A 51 23.374 -5.301 -18.332 1.00 71.44 C ATOM 733 CG1 ILE A 51 21.843 -5.185 -18.171 1.00 10.41 C ATOM 734 CG2 ILE A 51 24.074 -5.362 -16.945 1.00 21.41 C ATOM 735 CD1 ILE A 51 21.168 -6.390 -17.489 1.00 30.04 C ATOM 0 H ILE A 51 23.311 -5.247 -20.860 1.00 71.23 H new ATOM 0 HA ILE A 51 23.309 -3.230 -18.901 1.00 5.51 H new ATOM 0 HB ILE A 51 23.613 -6.229 -18.851 1.00 71.44 H new ATOM 0 HG12 ILE A 51 21.620 -4.288 -17.593 1.00 10.41 H new ATOM 0 HG13 ILE A 51 21.398 -5.048 -19.157 1.00 10.41 H new ATOM 0 HG21 ILE A 51 23.685 -6.208 -16.378 1.00 21.41 H new ATOM 0 HG22 ILE A 51 25.148 -5.482 -17.085 1.00 21.41 H new ATOM 0 HG23 ILE A 51 23.880 -4.439 -16.399 1.00 21.41 H new ATOM 0 HD11 ILE A 51 20.094 -6.215 -17.421 1.00 30.04 H new ATOM 0 HD12 ILE A 51 21.353 -7.290 -18.075 1.00 30.04 H new ATOM 0 HD13 ILE A 51 21.578 -6.518 -16.487 1.00 30.04 H new ATOM 747 N ARG A 52 26.275 -4.566 -19.529 1.00 2.32 N ATOM 748 CA ARG A 52 27.702 -4.359 -19.289 1.00 3.41 C ATOM 749 C ARG A 52 28.151 -2.997 -19.813 1.00 4.42 C ATOM 750 O ARG A 52 28.989 -2.351 -19.205 1.00 23.43 O ATOM 751 CB ARG A 52 28.520 -5.495 -19.919 1.00 54.34 C ATOM 752 CG ARG A 52 29.908 -5.700 -19.278 1.00 74.02 C ATOM 753 CD ARG A 52 31.013 -4.829 -19.904 1.00 61.42 C ATOM 754 NE ARG A 52 31.210 -5.109 -21.337 1.00 1.34 N ATOM 755 CZ ARG A 52 31.998 -6.051 -21.839 1.00 43.22 C ATOM 756 NH1 ARG A 52 32.695 -6.865 -21.082 1.00 52.51 N ATOM 757 NH2 ARG A 52 32.088 -6.175 -23.135 1.00 22.02 N ATOM 0 H ARG A 52 26.054 -5.304 -20.197 1.00 2.32 H new ATOM 0 HA ARG A 52 27.877 -4.371 -18.213 1.00 3.41 H new ATOM 0 HB2 ARG A 52 27.954 -6.423 -19.840 1.00 54.34 H new ATOM 0 HB3 ARG A 52 28.649 -5.290 -20.982 1.00 54.34 H new ATOM 0 HG2 ARG A 52 29.843 -5.479 -18.213 1.00 74.02 H new ATOM 0 HG3 ARG A 52 30.189 -6.749 -19.369 1.00 74.02 H new ATOM 0 HD2 ARG A 52 30.759 -3.777 -19.775 1.00 61.42 H new ATOM 0 HD3 ARG A 52 31.949 -4.998 -19.372 1.00 61.42 H new ATOM 0 HE ARG A 52 30.696 -4.529 -22.000 1.00 1.34 H new ATOM 0 HH11 ARG A 52 32.643 -6.787 -20.066 1.00 52.51 H new ATOM 0 HH12 ARG A 52 33.289 -7.576 -21.509 1.00 52.51 H new ATOM 0 HH21 ARG A 52 31.557 -5.553 -23.745 1.00 22.02 H new ATOM 0 HH22 ARG A 52 32.689 -6.894 -23.538 1.00 22.02 H new ATOM 771 N GLU A 53 27.565 -2.554 -20.911 1.00 1.22 N ATOM 772 CA GLU A 53 27.898 -1.251 -21.461 1.00 73.33 C ATOM 773 C GLU A 53 27.378 -0.095 -20.604 1.00 33.21 C ATOM 774 O GLU A 53 28.028 0.903 -20.441 1.00 2.33 O ATOM 775 CB GLU A 53 27.290 -1.120 -22.885 1.00 42.41 C ATOM 776 CG GLU A 53 27.936 -2.048 -23.920 1.00 72.30 C ATOM 777 CD GLU A 53 26.970 -2.361 -25.074 1.00 64.33 C ATOM 778 OE1 GLU A 53 25.915 -1.687 -25.196 1.00 24.21 O ATOM 779 OE2 GLU A 53 27.249 -3.311 -25.839 1.00 33.33 O ATOM 0 H GLU A 53 26.861 -3.072 -21.437 1.00 1.22 H new ATOM 0 HA GLU A 53 28.986 -1.186 -21.486 1.00 73.33 H new ATOM 0 HB2 GLU A 53 26.222 -1.334 -22.835 1.00 42.41 H new ATOM 0 HB3 GLU A 53 27.393 -0.088 -23.221 1.00 42.41 H new ATOM 0 HG2 GLU A 53 28.839 -1.582 -24.315 1.00 72.30 H new ATOM 0 HG3 GLU A 53 28.242 -2.976 -23.438 1.00 72.30 H new ATOM 786 N GLU A 54 26.148 -0.199 -20.154 1.00 33.10 N ATOM 787 CA GLU A 54 25.491 0.919 -19.468 1.00 71.34 C ATOM 788 C GLU A 54 25.760 0.995 -17.961 1.00 43.32 C ATOM 789 O GLU A 54 25.660 2.048 -17.365 1.00 61.01 O ATOM 790 CB GLU A 54 23.957 0.805 -19.712 1.00 44.42 C ATOM 791 CG GLU A 54 23.503 0.858 -21.121 1.00 43.41 C ATOM 792 CD GLU A 54 23.723 2.178 -21.810 1.00 40.32 C ATOM 793 OE1 GLU A 54 23.606 3.225 -21.166 1.00 41.52 O ATOM 794 OE2 GLU A 54 23.972 2.152 -23.056 1.00 34.42 O ATOM 0 H GLU A 54 25.574 -1.038 -20.244 1.00 33.10 H new ATOM 0 HA GLU A 54 25.912 1.834 -19.886 1.00 71.34 H new ATOM 0 HB2 GLU A 54 23.612 -0.134 -19.278 1.00 44.42 H new ATOM 0 HB3 GLU A 54 23.465 1.609 -19.165 1.00 44.42 H new ATOM 0 HG2 GLU A 54 24.020 0.081 -21.683 1.00 43.41 H new ATOM 0 HG3 GLU A 54 22.440 0.621 -21.154 1.00 43.41 H new ATOM 801 N LEU A 55 26.049 -0.145 -17.366 1.00 4.43 N ATOM 802 CA LEU A 55 26.213 -0.249 -15.932 1.00 1.51 C ATOM 803 C LEU A 55 27.631 -0.627 -15.550 1.00 52.14 C ATOM 804 O LEU A 55 28.024 -0.519 -14.387 1.00 53.44 O ATOM 805 CB LEU A 55 25.222 -1.280 -15.336 1.00 31.31 C ATOM 806 CG LEU A 55 23.720 -0.979 -15.341 1.00 30.01 C ATOM 807 CD1 LEU A 55 23.109 -0.793 -16.699 1.00 20.51 C ATOM 808 CD2 LEU A 55 23.008 -2.137 -14.641 1.00 35.33 C ATOM 0 H LEU A 55 26.177 -1.026 -17.865 1.00 4.43 H new ATOM 0 HA LEU A 55 26.000 0.736 -15.518 1.00 1.51 H new ATOM 0 HB2 LEU A 55 25.368 -2.219 -15.871 1.00 31.31 H new ATOM 0 HB3 LEU A 55 25.516 -1.454 -14.301 1.00 31.31 H new ATOM 0 HG LEU A 55 23.596 -0.024 -14.830 1.00 30.01 H new ATOM 0 HD11 LEU A 55 22.044 -0.585 -16.594 1.00 20.51 H new ATOM 0 HD12 LEU A 55 23.594 0.042 -17.205 1.00 20.51 H new ATOM 0 HD13 LEU A 55 23.245 -1.701 -17.286 1.00 20.51 H new ATOM 0 HD21 LEU A 55 21.934 -1.950 -14.629 1.00 35.33 H new ATOM 0 HD22 LEU A 55 23.209 -3.065 -15.177 1.00 35.33 H new ATOM 0 HD23 LEU A 55 23.373 -2.223 -13.617 1.00 35.33 H new ATOM 820 N GLY A 56 28.385 -1.125 -16.508 1.00 35.10 N ATOM 821 CA GLY A 56 29.745 -1.553 -16.249 1.00 32.35 C ATOM 822 C GLY A 56 29.839 -2.866 -15.492 1.00 40.40 C ATOM 823 O GLY A 56 30.886 -3.170 -14.921 1.00 53.34 O ATOM 0 H GLY A 56 28.079 -1.244 -17.474 1.00 35.10 H new ATOM 0 HA2 GLY A 56 30.272 -1.653 -17.198 1.00 32.35 H new ATOM 0 HA3 GLY A 56 30.258 -0.778 -15.679 1.00 32.35 H new ATOM 827 N VAL A 57 28.756 -3.639 -15.457 1.00 41.40 N ATOM 828 CA VAL A 57 28.734 -4.881 -14.669 1.00 63.13 C ATOM 829 C VAL A 57 28.565 -6.131 -15.523 1.00 44.11 C ATOM 830 O VAL A 57 27.771 -6.180 -16.463 1.00 11.44 O ATOM 831 CB VAL A 57 27.617 -4.853 -13.562 1.00 34.11 C ATOM 832 CG1 VAL A 57 27.835 -3.666 -12.618 1.00 25.12 C ATOM 833 CG2 VAL A 57 26.212 -4.754 -14.157 1.00 22.13 C ATOM 0 H VAL A 57 27.890 -3.436 -15.956 1.00 41.40 H new ATOM 0 HA VAL A 57 29.713 -4.931 -14.192 1.00 63.13 H new ATOM 0 HB VAL A 57 27.693 -5.793 -13.016 1.00 34.11 H new ATOM 0 HG11 VAL A 57 27.055 -3.659 -11.857 1.00 25.12 H new ATOM 0 HG12 VAL A 57 28.809 -3.757 -12.138 1.00 25.12 H new ATOM 0 HG13 VAL A 57 27.796 -2.737 -13.187 1.00 25.12 H new ATOM 0 HG21 VAL A 57 25.477 -4.738 -13.353 1.00 22.13 H new ATOM 0 HG22 VAL A 57 26.129 -3.839 -14.743 1.00 22.13 H new ATOM 0 HG23 VAL A 57 26.028 -5.615 -14.800 1.00 22.13 H new ATOM 843 N ASP A 58 29.316 -7.162 -15.176 1.00 52.11 N ATOM 844 CA ASP A 58 29.158 -8.475 -15.799 1.00 11.32 C ATOM 845 C ASP A 58 27.984 -9.163 -15.113 1.00 3.11 C ATOM 846 O ASP A 58 27.981 -9.316 -13.890 1.00 13.22 O ATOM 847 CB ASP A 58 30.411 -9.325 -15.582 1.00 63.14 C ATOM 848 CG ASP A 58 30.127 -10.814 -15.714 1.00 40.21 C ATOM 849 OD1 ASP A 58 29.739 -11.252 -16.810 1.00 22.24 O ATOM 850 OD2 ASP A 58 30.253 -11.539 -14.697 1.00 74.12 O ATOM 0 H ASP A 58 30.045 -7.120 -14.464 1.00 52.11 H new ATOM 0 HA ASP A 58 28.993 -8.360 -16.870 1.00 11.32 H new ATOM 0 HB2 ASP A 58 31.173 -9.037 -16.306 1.00 63.14 H new ATOM 0 HB3 ASP A 58 30.819 -9.121 -14.592 1.00 63.14 H new ATOM 855 N LEU A 59 27.008 -9.601 -15.888 1.00 71.21 N ATOM 856 CA LEU A 59 25.903 -10.359 -15.347 1.00 51.22 C ATOM 857 C LEU A 59 25.828 -11.712 -16.038 1.00 53.01 C ATOM 858 O LEU A 59 25.398 -11.805 -17.189 1.00 44.31 O ATOM 859 CB LEU A 59 24.592 -9.614 -15.517 1.00 12.44 C ATOM 860 CG LEU A 59 23.412 -10.357 -14.877 1.00 12.03 C ATOM 861 CD1 LEU A 59 23.478 -10.403 -13.346 1.00 11.41 C ATOM 862 CD2 LEU A 59 22.143 -9.644 -15.286 1.00 72.02 C ATOM 0 H LEU A 59 26.962 -9.443 -16.895 1.00 71.21 H new ATOM 0 HA LEU A 59 26.072 -10.502 -14.280 1.00 51.22 H new ATOM 0 HB2 LEU A 59 24.679 -8.623 -15.071 1.00 12.44 H new ATOM 0 HB3 LEU A 59 24.394 -9.469 -16.579 1.00 12.44 H new ATOM 0 HG LEU A 59 23.442 -11.390 -15.224 1.00 12.03 H new ATOM 0 HD11 LEU A 59 22.613 -10.943 -12.961 1.00 11.41 H new ATOM 0 HD12 LEU A 59 24.391 -10.912 -13.036 1.00 11.41 H new ATOM 0 HD13 LEU A 59 23.477 -9.387 -12.951 1.00 11.41 H new ATOM 0 HD21 LEU A 59 21.284 -10.150 -14.846 1.00 72.02 H new ATOM 0 HD22 LEU A 59 22.176 -8.612 -14.935 1.00 72.02 H new ATOM 0 HD23 LEU A 59 22.053 -9.655 -16.372 1.00 72.02 H new ATOM 874 N PRO A 60 26.233 -12.792 -15.362 1.00 62.43 N ATOM 875 CA PRO A 60 26.167 -14.075 -16.052 1.00 5.01 C ATOM 876 C PRO A 60 24.726 -14.543 -16.263 1.00 42.45 C ATOM 877 O PRO A 60 23.848 -14.294 -15.433 1.00 52.14 O ATOM 878 CB PRO A 60 26.941 -15.006 -15.127 1.00 74.41 C ATOM 879 CG PRO A 60 26.740 -14.423 -13.773 1.00 2.41 C ATOM 880 CD PRO A 60 26.779 -12.941 -14.004 1.00 60.21 C ATOM 0 HA PRO A 60 26.582 -14.035 -17.059 1.00 5.01 H new ATOM 0 HB2 PRO A 60 26.563 -16.027 -15.181 1.00 74.41 H new ATOM 0 HB3 PRO A 60 27.998 -15.043 -15.392 1.00 74.41 H new ATOM 0 HG2 PRO A 60 25.789 -14.734 -13.342 1.00 2.41 H new ATOM 0 HG3 PRO A 60 27.522 -14.740 -13.082 1.00 2.41 H new ATOM 0 HD2 PRO A 60 26.179 -12.404 -13.269 1.00 60.21 H new ATOM 0 HD3 PRO A 60 27.794 -12.550 -13.934 1.00 60.21 H new ATOM 888 N ILE A 61 24.501 -15.261 -17.358 1.00 12.42 N ATOM 889 CA ILE A 61 23.167 -15.753 -17.714 1.00 74.54 C ATOM 890 C ILE A 61 22.578 -16.644 -16.607 1.00 74.51 C ATOM 891 O ILE A 61 21.365 -16.742 -16.446 1.00 52.05 O ATOM 892 CB ILE A 61 23.231 -16.510 -19.095 1.00 4.31 C ATOM 893 CG1 ILE A 61 21.830 -16.667 -19.714 1.00 35.24 C ATOM 894 CG2 ILE A 61 23.909 -17.896 -18.949 1.00 60.34 C ATOM 895 CD1 ILE A 61 21.273 -15.404 -20.353 1.00 32.31 C ATOM 0 H ILE A 61 25.230 -15.519 -18.023 1.00 12.42 H new ATOM 0 HA ILE A 61 22.497 -14.899 -17.816 1.00 74.54 H new ATOM 0 HB ILE A 61 23.837 -15.901 -19.766 1.00 4.31 H new ATOM 0 HG12 ILE A 61 21.867 -17.454 -20.468 1.00 35.24 H new ATOM 0 HG13 ILE A 61 21.140 -17.000 -18.939 1.00 35.24 H new ATOM 0 HG21 ILE A 61 23.937 -18.391 -19.919 1.00 60.34 H new ATOM 0 HG22 ILE A 61 24.926 -17.766 -18.578 1.00 60.34 H new ATOM 0 HG23 ILE A 61 23.342 -18.506 -18.246 1.00 60.34 H new ATOM 0 HD11 ILE A 61 20.284 -15.609 -20.762 1.00 32.31 H new ATOM 0 HD12 ILE A 61 21.199 -14.618 -19.601 1.00 32.31 H new ATOM 0 HD13 ILE A 61 21.937 -15.078 -21.154 1.00 32.31 H new ATOM 907 N ARG A 62 23.441 -17.228 -15.781 1.00 41.50 N ATOM 908 CA ARG A 62 22.974 -18.048 -14.659 1.00 74.43 C ATOM 909 C ARG A 62 22.147 -17.228 -13.660 1.00 52.30 C ATOM 910 O ARG A 62 21.201 -17.740 -13.082 1.00 0.22 O ATOM 911 CB ARG A 62 24.164 -18.714 -13.937 1.00 52.54 C ATOM 912 CG ARG A 62 25.001 -19.617 -14.843 1.00 73.43 C ATOM 913 CD ARG A 62 25.809 -20.634 -14.025 1.00 40.11 C ATOM 914 NE ARG A 62 26.789 -20.000 -13.121 1.00 24.14 N ATOM 915 CZ ARG A 62 27.592 -20.655 -12.282 1.00 33.02 C ATOM 916 NH1 ARG A 62 27.578 -21.964 -12.173 1.00 21.21 N ATOM 917 NH2 ARG A 62 28.424 -19.977 -11.539 1.00 1.12 N ATOM 0 H ARG A 62 24.455 -17.153 -15.862 1.00 41.50 H new ATOM 0 HA ARG A 62 22.329 -18.823 -15.073 1.00 74.43 H new ATOM 0 HB2 ARG A 62 24.805 -17.938 -13.519 1.00 52.54 H new ATOM 0 HB3 ARG A 62 23.788 -19.302 -13.100 1.00 52.54 H new ATOM 0 HG2 ARG A 62 24.348 -20.144 -15.539 1.00 73.43 H new ATOM 0 HG3 ARG A 62 25.679 -19.008 -15.441 1.00 73.43 H new ATOM 0 HD2 ARG A 62 25.124 -21.246 -13.438 1.00 40.11 H new ATOM 0 HD3 ARG A 62 26.332 -21.306 -14.706 1.00 40.11 H new ATOM 0 HE ARG A 62 26.857 -18.982 -13.140 1.00 24.14 H new ATOM 0 HH11 ARG A 62 26.937 -22.516 -12.742 1.00 21.21 H new ATOM 0 HH12 ARG A 62 28.208 -22.428 -11.519 1.00 21.21 H new ATOM 0 HH21 ARG A 62 28.454 -18.960 -11.605 1.00 1.12 H new ATOM 0 HH22 ARG A 62 29.044 -20.465 -10.893 1.00 1.12 H new ATOM 931 N GLN A 63 22.502 -15.960 -13.451 1.00 64.21 N ATOM 932 CA GLN A 63 21.745 -15.121 -12.563 1.00 42.05 C ATOM 933 C GLN A 63 20.466 -14.665 -13.208 1.00 43.11 C ATOM 934 O GLN A 63 19.464 -14.538 -12.545 1.00 31.11 O ATOM 935 CB GLN A 63 22.558 -13.940 -12.059 1.00 12.12 C ATOM 936 CG GLN A 63 23.702 -14.323 -11.106 1.00 3.32 C ATOM 937 CD GLN A 63 24.357 -13.100 -10.469 1.00 34.21 C ATOM 938 OE1 GLN A 63 25.366 -12.597 -10.966 1.00 1.42 O ATOM 939 NE2 GLN A 63 23.852 -12.682 -9.352 1.00 3.23 N ATOM 0 H GLN A 63 23.305 -15.507 -13.887 1.00 64.21 H new ATOM 0 HA GLN A 63 21.488 -15.725 -11.693 1.00 42.05 H new ATOM 0 HB2 GLN A 63 22.975 -13.409 -12.915 1.00 12.12 H new ATOM 0 HB3 GLN A 63 21.891 -13.246 -11.548 1.00 12.12 H new ATOM 0 HG2 GLN A 63 23.317 -14.976 -10.323 1.00 3.32 H new ATOM 0 HG3 GLN A 63 24.454 -14.892 -11.654 1.00 3.32 H new ATOM 0 HE21 GLN A 63 23.015 -13.125 -8.973 1.00 3.23 H new ATOM 0 HE22 GLN A 63 24.291 -11.910 -8.851 1.00 3.23 H new ATOM 948 N LEU A 64 20.496 -14.449 -14.502 1.00 14.30 N ATOM 949 CA LEU A 64 19.293 -14.020 -15.218 1.00 31.02 C ATOM 950 C LEU A 64 18.205 -15.094 -15.163 1.00 0.12 C ATOM 951 O LEU A 64 17.039 -14.783 -15.018 1.00 73.14 O ATOM 952 CB LEU A 64 19.619 -13.679 -16.675 1.00 43.12 C ATOM 953 CG LEU A 64 19.999 -12.207 -16.881 1.00 31.41 C ATOM 954 CD1 LEU A 64 20.683 -12.017 -18.238 1.00 45.35 C ATOM 955 CD2 LEU A 64 18.751 -11.307 -16.769 1.00 44.22 C ATOM 0 H LEU A 64 21.325 -14.559 -15.085 1.00 14.30 H new ATOM 0 HA LEU A 64 18.918 -13.124 -14.723 1.00 31.02 H new ATOM 0 HB2 LEU A 64 20.440 -14.310 -17.014 1.00 43.12 H new ATOM 0 HB3 LEU A 64 18.757 -13.916 -17.298 1.00 43.12 H new ATOM 0 HG LEU A 64 20.701 -11.917 -16.099 1.00 31.41 H new ATOM 0 HD11 LEU A 64 20.946 -10.967 -18.369 1.00 45.35 H new ATOM 0 HD12 LEU A 64 21.586 -12.626 -18.278 1.00 45.35 H new ATOM 0 HD13 LEU A 64 20.004 -12.323 -19.034 1.00 45.35 H new ATOM 0 HD21 LEU A 64 19.038 -10.266 -16.918 1.00 44.22 H new ATOM 0 HD22 LEU A 64 18.025 -11.595 -17.529 1.00 44.22 H new ATOM 0 HD23 LEU A 64 18.306 -11.423 -15.781 1.00 44.22 H new ATOM 967 N PHE A 65 18.597 -16.357 -15.193 1.00 23.54 N ATOM 968 CA PHE A 65 17.624 -17.442 -15.077 1.00 14.23 C ATOM 969 C PHE A 65 17.051 -17.504 -13.664 1.00 1.53 C ATOM 970 O PHE A 65 15.935 -17.963 -13.448 1.00 32.52 O ATOM 971 CB PHE A 65 18.256 -18.794 -15.419 1.00 53.31 C ATOM 972 CG PHE A 65 18.653 -18.941 -16.869 1.00 31.13 C ATOM 973 CD1 PHE A 65 17.765 -18.576 -17.906 1.00 42.54 C ATOM 974 CD2 PHE A 65 19.917 -19.465 -17.207 1.00 22.02 C ATOM 975 CE1 PHE A 65 18.135 -18.736 -19.267 1.00 21.23 C ATOM 976 CE2 PHE A 65 20.294 -19.633 -18.565 1.00 24.21 C ATOM 977 CZ PHE A 65 19.399 -19.268 -19.593 1.00 21.11 C ATOM 0 H PHE A 65 19.566 -16.658 -15.295 1.00 23.54 H new ATOM 0 HA PHE A 65 16.823 -17.235 -15.787 1.00 14.23 H new ATOM 0 HB2 PHE A 65 19.138 -18.938 -14.796 1.00 53.31 H new ATOM 0 HB3 PHE A 65 17.552 -19.587 -15.164 1.00 53.31 H new ATOM 0 HD1 PHE A 65 16.794 -18.171 -17.660 1.00 42.54 H new ATOM 0 HD2 PHE A 65 20.607 -19.742 -16.423 1.00 22.02 H new ATOM 0 HE1 PHE A 65 17.449 -18.451 -20.051 1.00 21.23 H new ATOM 0 HE2 PHE A 65 21.264 -20.039 -18.811 1.00 24.21 H new ATOM 0 HZ PHE A 65 19.682 -19.396 -20.627 1.00 21.11 H new ATOM 987 N SER A 66 17.820 -17.019 -12.702 1.00 52.31 N ATOM 988 CA SER A 66 17.398 -17.016 -11.293 1.00 3.41 C ATOM 989 C SER A 66 16.644 -15.730 -10.937 1.00 32.00 C ATOM 990 O SER A 66 16.073 -15.609 -9.861 1.00 43.33 O ATOM 991 CB SER A 66 18.636 -17.122 -10.394 1.00 4.23 C ATOM 992 OG SER A 66 19.435 -18.245 -10.768 1.00 72.32 O ATOM 0 H SER A 66 18.744 -16.619 -12.863 1.00 52.31 H new ATOM 0 HA SER A 66 16.732 -17.865 -11.139 1.00 3.41 H new ATOM 0 HB2 SER A 66 19.226 -16.208 -10.469 1.00 4.23 H new ATOM 0 HB3 SER A 66 18.329 -17.218 -9.353 1.00 4.23 H new ATOM 0 HG SER A 66 19.980 -18.013 -11.549 1.00 72.32 H new ATOM 998 N SER A 67 16.693 -14.755 -11.831 1.00 4.54 N ATOM 999 CA SER A 67 16.067 -13.447 -11.617 1.00 15.22 C ATOM 1000 C SER A 67 15.648 -12.832 -12.961 1.00 52.20 C ATOM 1001 O SER A 67 16.344 -11.979 -13.500 1.00 52.01 O ATOM 1002 CB SER A 67 17.015 -12.520 -10.843 1.00 4.02 C ATOM 1003 OG SER A 67 18.291 -12.388 -11.466 1.00 54.52 O ATOM 0 H SER A 67 17.168 -14.842 -12.730 1.00 4.54 H new ATOM 0 HA SER A 67 15.168 -13.577 -11.015 1.00 15.22 H new ATOM 0 HB2 SER A 67 16.557 -11.535 -10.751 1.00 4.02 H new ATOM 0 HB3 SER A 67 17.148 -12.906 -9.832 1.00 4.02 H new ATOM 0 HG SER A 67 18.715 -13.269 -11.533 1.00 54.52 H new ATOM 1009 N PRO A 68 14.533 -13.295 -13.535 1.00 61.53 N ATOM 1010 CA PRO A 68 14.162 -12.806 -14.866 1.00 12.43 C ATOM 1011 C PRO A 68 13.550 -11.393 -14.895 1.00 54.40 C ATOM 1012 O PRO A 68 13.407 -10.825 -15.962 1.00 72.44 O ATOM 1013 CB PRO A 68 13.142 -13.837 -15.330 1.00 74.21 C ATOM 1014 CG PRO A 68 12.468 -14.251 -14.085 1.00 75.51 C ATOM 1015 CD PRO A 68 13.574 -14.319 -13.066 1.00 52.25 C ATOM 0 HA PRO A 68 15.044 -12.705 -15.499 1.00 12.43 H new ATOM 0 HB2 PRO A 68 12.437 -13.409 -16.043 1.00 74.21 H new ATOM 0 HB3 PRO A 68 13.623 -14.681 -15.824 1.00 74.21 H new ATOM 0 HG2 PRO A 68 11.701 -13.535 -13.791 1.00 75.51 H new ATOM 0 HG3 PRO A 68 11.975 -15.216 -14.202 1.00 75.51 H new ATOM 0 HD2 PRO A 68 13.210 -14.099 -12.062 1.00 52.25 H new ATOM 0 HD3 PRO A 68 14.028 -15.309 -13.031 1.00 52.25 H new ATOM 1023 N THR A 69 13.162 -10.849 -13.749 1.00 54.44 N ATOM 1024 CA THR A 69 12.560 -9.509 -13.682 1.00 74.04 C ATOM 1025 C THR A 69 13.608 -8.447 -13.370 1.00 32.30 C ATOM 1026 O THR A 69 14.569 -8.749 -12.644 1.00 33.34 O ATOM 1027 CB THR A 69 11.491 -9.452 -12.548 1.00 51.43 C ATOM 1028 OG1 THR A 69 12.115 -9.742 -11.305 1.00 10.43 O ATOM 1029 CG2 THR A 69 10.375 -10.417 -12.760 1.00 2.44 C ATOM 0 H THR A 69 13.251 -11.312 -12.845 1.00 54.44 H new ATOM 0 HA THR A 69 12.108 -9.314 -14.655 1.00 74.04 H new ATOM 0 HB THR A 69 11.066 -8.448 -12.554 1.00 51.43 H new ATOM 0 HG1 THR A 69 11.448 -9.706 -10.588 1.00 10.43 H new ATOM 0 HG21 THR A 69 9.661 -10.333 -11.941 1.00 2.44 H new ATOM 0 HG22 THR A 69 9.874 -10.193 -13.702 1.00 2.44 H new ATOM 0 HG23 THR A 69 10.772 -11.431 -12.793 1.00 2.44 H new ATOM 1037 N PRO A 70 13.436 -7.188 -13.834 1.00 21.23 N ATOM 1038 CA PRO A 70 14.419 -6.162 -13.445 1.00 51.55 C ATOM 1039 C PRO A 70 14.620 -6.020 -11.934 1.00 42.30 C ATOM 1040 O PRO A 70 15.731 -5.815 -11.454 1.00 0.04 O ATOM 1041 CB PRO A 70 13.813 -4.867 -14.036 1.00 43.15 C ATOM 1042 CG PRO A 70 12.997 -5.342 -15.169 1.00 12.15 C ATOM 1043 CD PRO A 70 12.396 -6.644 -14.726 1.00 51.53 C ATOM 0 HA PRO A 70 15.415 -6.412 -13.811 1.00 51.55 H new ATOM 0 HB2 PRO A 70 13.206 -4.338 -13.301 1.00 43.15 H new ATOM 0 HB3 PRO A 70 14.590 -4.176 -14.365 1.00 43.15 H new ATOM 0 HG2 PRO A 70 12.221 -4.619 -15.421 1.00 12.15 H new ATOM 0 HG3 PRO A 70 13.609 -5.478 -16.061 1.00 12.15 H new ATOM 0 HD2 PRO A 70 11.450 -6.498 -14.205 1.00 51.53 H new ATOM 0 HD3 PRO A 70 12.197 -7.306 -15.568 1.00 51.53 H new ATOM 1051 N ALA A 71 13.536 -6.108 -11.155 1.00 42.23 N ATOM 1052 CA ALA A 71 13.657 -6.000 -9.720 1.00 72.52 C ATOM 1053 C ALA A 71 14.436 -7.157 -9.089 1.00 61.20 C ATOM 1054 O ALA A 71 15.133 -7.017 -8.045 1.00 2.43 O ATOM 1055 CB ALA A 71 12.240 -5.965 -9.054 1.00 61.33 C ATOM 0 H ALA A 71 12.586 -6.251 -11.498 1.00 42.23 H new ATOM 0 HA ALA A 71 14.206 -5.075 -9.541 1.00 72.52 H new ATOM 0 HB1 ALA A 71 12.348 -5.883 -7.972 1.00 61.33 H new ATOM 0 HB2 ALA A 71 11.683 -5.106 -9.429 1.00 61.33 H new ATOM 0 HB3 ALA A 71 11.701 -6.881 -9.297 1.00 61.33 H new ATOM 1061 N GLY A 72 14.416 -8.296 -9.767 1.00 71.21 N ATOM 1062 CA GLY A 72 15.210 -9.443 -9.347 1.00 75.50 C ATOM 1063 C GLY A 72 16.674 -9.261 -9.733 1.00 33.13 C ATOM 1064 O GLY A 72 17.567 -9.595 -8.950 1.00 23.44 O ATOM 0 H GLY A 72 13.860 -8.451 -10.608 1.00 71.21 H new ATOM 0 HA2 GLY A 72 15.127 -9.572 -8.268 1.00 75.50 H new ATOM 0 HA3 GLY A 72 14.818 -10.350 -9.807 1.00 75.50 H new ATOM 1068 N VAL A 73 16.946 -8.710 -10.903 1.00 1.40 N ATOM 1069 CA VAL A 73 18.332 -8.509 -11.346 1.00 73.13 C ATOM 1070 C VAL A 73 19.020 -7.481 -10.457 1.00 63.34 C ATOM 1071 O VAL A 73 20.173 -7.668 -10.068 1.00 31.51 O ATOM 1072 CB VAL A 73 18.393 -8.057 -12.823 1.00 64.44 C ATOM 1073 CG1 VAL A 73 19.840 -7.760 -13.242 1.00 23.21 C ATOM 1074 CG2 VAL A 73 17.826 -9.155 -13.721 1.00 3.40 C ATOM 0 H VAL A 73 16.238 -8.393 -11.565 1.00 1.40 H new ATOM 0 HA VAL A 73 18.852 -9.464 -11.265 1.00 73.13 H new ATOM 0 HB VAL A 73 17.802 -7.147 -12.928 1.00 64.44 H new ATOM 0 HG11 VAL A 73 19.859 -7.444 -14.285 1.00 23.21 H new ATOM 0 HG12 VAL A 73 20.245 -6.966 -12.614 1.00 23.21 H new ATOM 0 HG13 VAL A 73 20.445 -8.659 -13.124 1.00 23.21 H new ATOM 0 HG21 VAL A 73 17.870 -8.833 -14.761 1.00 3.40 H new ATOM 0 HG22 VAL A 73 18.413 -10.065 -13.597 1.00 3.40 H new ATOM 0 HG23 VAL A 73 16.790 -9.351 -13.446 1.00 3.40 H new ATOM 1084 N ALA A 74 18.308 -6.429 -10.081 1.00 11.24 N ATOM 1085 CA ALA A 74 18.940 -5.414 -9.251 1.00 61.13 C ATOM 1086 C ALA A 74 19.410 -5.943 -7.892 1.00 13.43 C ATOM 1087 O ALA A 74 20.505 -5.607 -7.432 1.00 72.25 O ATOM 1088 CB ALA A 74 17.968 -4.260 -9.018 1.00 64.11 C ATOM 0 H ALA A 74 17.332 -6.258 -10.325 1.00 11.24 H new ATOM 0 HA ALA A 74 19.825 -5.082 -9.794 1.00 61.13 H new ATOM 0 HB1 ALA A 74 18.445 -3.502 -8.396 1.00 64.11 H new ATOM 0 HB2 ALA A 74 17.689 -3.820 -9.976 1.00 64.11 H new ATOM 0 HB3 ALA A 74 17.075 -4.632 -8.516 1.00 64.11 H new ATOM 1094 N ARG A 75 18.640 -6.795 -7.279 1.00 22.50 N ATOM 1095 CA ARG A 75 19.054 -7.359 -5.979 1.00 62.45 C ATOM 1096 C ARG A 75 20.137 -8.425 -6.195 1.00 45.21 C ATOM 1097 O ARG A 75 21.037 -8.586 -5.375 1.00 63.15 O ATOM 1098 CB ARG A 75 17.855 -7.890 -5.192 1.00 11.03 C ATOM 1099 CG ARG A 75 17.173 -9.118 -5.774 1.00 62.43 C ATOM 1100 CD ARG A 75 15.863 -9.420 -5.100 1.00 12.21 C ATOM 1101 NE ARG A 75 14.821 -8.472 -5.550 1.00 1.45 N ATOM 1102 CZ ARG A 75 13.551 -8.469 -5.167 1.00 43.33 C ATOM 1103 NH1 ARG A 75 13.055 -9.326 -4.309 1.00 62.32 N ATOM 1104 NH2 ARG A 75 12.761 -7.575 -5.675 1.00 22.34 N ATOM 0 H ARG A 75 17.739 -7.123 -7.628 1.00 22.50 H new ATOM 0 HA ARG A 75 19.486 -6.565 -5.369 1.00 62.45 H new ATOM 0 HB2 ARG A 75 18.184 -8.126 -4.180 1.00 11.03 H new ATOM 0 HB3 ARG A 75 17.117 -7.092 -5.109 1.00 11.03 H new ATOM 0 HG2 ARG A 75 17.003 -8.965 -6.840 1.00 62.43 H new ATOM 0 HG3 ARG A 75 17.835 -9.978 -5.677 1.00 62.43 H new ATOM 0 HD2 ARG A 75 15.557 -10.441 -5.327 1.00 12.21 H new ATOM 0 HD3 ARG A 75 15.980 -9.355 -4.018 1.00 12.21 H new ATOM 0 HE ARG A 75 15.105 -7.754 -6.217 1.00 1.45 H new ATOM 0 HH11 ARG A 75 13.654 -10.043 -3.899 1.00 62.32 H new ATOM 0 HH12 ARG A 75 12.070 -9.277 -4.051 1.00 62.32 H new ATOM 0 HH21 ARG A 75 13.122 -6.900 -6.349 1.00 22.34 H new ATOM 0 HH22 ARG A 75 11.779 -7.547 -5.400 1.00 22.34 H new