USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 11:sc= 0.769 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -166:sc= 1.11 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.427 F(o=-1.2,f=-0.43) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 41 SER OG : rot -87:sc=0.000973 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.1 F(o=-1.5,f=-0.1) USER MOD Single : A 66 SER OG : rot 90:sc= 1.28 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00329 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.591 1.735 -25.157 1.00 43.44 N ATOM 128 CA THR A 11 -8.046 3.086 -25.483 1.00 52.14 C ATOM 129 C THR A 11 -6.923 4.081 -25.743 1.00 72.14 C ATOM 130 O THR A 11 -7.050 4.941 -26.615 1.00 1.34 O ATOM 131 CB THR A 11 -8.878 3.642 -24.312 1.00 43.41 C ATOM 132 OG1 THR A 11 -9.441 2.543 -23.589 1.00 73.12 O ATOM 133 CG2 THR A 11 -10.000 4.534 -24.784 1.00 53.33 C ATOM 0 HA THR A 11 -8.622 2.983 -26.403 1.00 52.14 H new ATOM 0 HB THR A 11 -8.217 4.238 -23.683 1.00 43.41 H new ATOM 0 HG1 THR A 11 -9.026 1.707 -23.889 1.00 73.12 H new ATOM 0 HG21 THR A 11 -10.559 4.902 -23.924 1.00 53.33 H new ATOM 0 HG22 THR A 11 -9.586 5.378 -25.336 1.00 53.33 H new ATOM 0 HG23 THR A 11 -10.667 3.967 -25.434 1.00 53.33 H new ATOM 141 N GLU A 12 -5.843 4.005 -24.967 1.00 53.20 N ATOM 142 CA GLU A 12 -4.784 5.019 -25.051 1.00 14.53 C ATOM 143 C GLU A 12 -4.110 5.105 -26.413 1.00 44.44 C ATOM 144 O GLU A 12 -3.878 6.177 -26.905 1.00 13.14 O ATOM 145 CB GLU A 12 -3.722 4.774 -23.978 1.00 1.40 C ATOM 146 CG GLU A 12 -3.396 6.010 -23.142 1.00 25.23 C ATOM 147 CD GLU A 12 -1.973 6.452 -23.327 1.00 10.32 C ATOM 148 OE1 GLU A 12 -1.705 7.150 -24.333 1.00 3.54 O ATOM 149 OE2 GLU A 12 -1.122 6.097 -22.501 1.00 20.12 O ATOM 0 H GLU A 12 -5.676 3.267 -24.283 1.00 53.20 H new ATOM 0 HA GLU A 12 -5.284 5.974 -24.887 1.00 14.53 H new ATOM 0 HB2 GLU A 12 -4.064 3.979 -23.316 1.00 1.40 H new ATOM 0 HB3 GLU A 12 -2.809 4.419 -24.457 1.00 1.40 H new ATOM 0 HG2 GLU A 12 -4.067 6.823 -23.419 1.00 25.23 H new ATOM 0 HG3 GLU A 12 -3.575 5.793 -22.089 1.00 25.23 H new ATOM 156 N LYS A 13 -3.859 3.966 -27.048 1.00 11.13 N ATOM 157 CA LYS A 13 -3.220 3.972 -28.370 1.00 31.02 C ATOM 158 C LYS A 13 -4.154 4.538 -29.429 1.00 53.11 C ATOM 159 O LYS A 13 -3.678 5.150 -30.387 1.00 5.31 O ATOM 160 CB LYS A 13 -2.749 2.577 -28.785 1.00 34.32 C ATOM 161 CG LYS A 13 -3.823 1.505 -28.738 1.00 73.54 C ATOM 162 CD LYS A 13 -3.317 0.158 -29.205 1.00 52.33 C ATOM 163 CE LYS A 13 -4.475 -0.841 -29.234 1.00 74.12 C ATOM 164 NZ LYS A 13 -4.029 -2.204 -29.702 1.00 74.42 N ATOM 0 H LYS A 13 -4.081 3.040 -26.682 1.00 11.13 H new ATOM 0 HA LYS A 13 -2.344 4.615 -28.291 1.00 31.02 H new ATOM 0 HB2 LYS A 13 -2.351 2.629 -29.798 1.00 34.32 H new ATOM 0 HB3 LYS A 13 -1.927 2.277 -28.135 1.00 34.32 H new ATOM 0 HG2 LYS A 13 -4.198 1.415 -27.718 1.00 73.54 H new ATOM 0 HG3 LYS A 13 -4.664 1.810 -29.361 1.00 73.54 H new ATOM 0 HD2 LYS A 13 -2.876 0.248 -30.198 1.00 52.33 H new ATOM 0 HD3 LYS A 13 -2.532 -0.198 -28.538 1.00 52.33 H new ATOM 0 HE2 LYS A 13 -4.909 -0.923 -28.237 1.00 74.12 H new ATOM 0 HE3 LYS A 13 -5.259 -0.469 -29.893 1.00 74.12 H new ATOM 0 HZ1 LYS A 13 -4.842 -2.852 -29.708 1.00 74.42 H new ATOM 0 HZ2 LYS A 13 -3.638 -2.130 -30.663 1.00 74.42 H new ATOM 0 HZ3 LYS A 13 -3.299 -2.570 -29.058 1.00 74.42 H new ATOM 178 N VAL A 14 -5.464 4.360 -29.275 1.00 30.40 N ATOM 179 CA VAL A 14 -6.412 4.889 -30.270 1.00 30.50 C ATOM 180 C VAL A 14 -6.415 6.414 -30.138 1.00 33.23 C ATOM 181 O VAL A 14 -6.349 7.151 -31.113 1.00 2.41 O ATOM 182 CB VAL A 14 -7.841 4.340 -30.032 1.00 54.32 C ATOM 183 CG1 VAL A 14 -8.827 4.915 -31.071 1.00 44.42 C ATOM 184 CG2 VAL A 14 -7.847 2.790 -30.107 1.00 63.04 C ATOM 0 H VAL A 14 -5.893 3.866 -28.492 1.00 30.40 H new ATOM 0 HA VAL A 14 -6.106 4.580 -31.270 1.00 30.50 H new ATOM 0 HB VAL A 14 -8.159 4.649 -29.036 1.00 54.32 H new ATOM 0 HG11 VAL A 14 -9.824 4.516 -30.886 1.00 44.42 H new ATOM 0 HG12 VAL A 14 -8.849 6.002 -30.989 1.00 44.42 H new ATOM 0 HG13 VAL A 14 -8.504 4.633 -32.073 1.00 44.42 H new ATOM 0 HG21 VAL A 14 -8.859 2.421 -29.937 1.00 63.04 H new ATOM 0 HG22 VAL A 14 -7.505 2.472 -31.092 1.00 63.04 H new ATOM 0 HG23 VAL A 14 -7.181 2.386 -29.344 1.00 63.04 H new ATOM 194 N LEU A 15 -6.450 6.870 -28.898 1.00 52.12 N ATOM 195 CA LEU A 15 -6.448 8.292 -28.593 1.00 74.14 C ATOM 196 C LEU A 15 -5.157 8.947 -29.065 1.00 14.43 C ATOM 197 O LEU A 15 -5.180 10.015 -29.659 1.00 33.44 O ATOM 198 CB LEU A 15 -6.601 8.478 -27.088 1.00 60.24 C ATOM 199 CG LEU A 15 -7.984 8.152 -26.508 1.00 70.32 C ATOM 200 CD1 LEU A 15 -7.791 7.942 -25.023 1.00 2.21 C ATOM 201 CD2 LEU A 15 -8.994 9.274 -26.779 1.00 2.11 C ATOM 0 H LEU A 15 -6.481 6.268 -28.075 1.00 52.12 H new ATOM 0 HA LEU A 15 -7.280 8.766 -29.114 1.00 74.14 H new ATOM 0 HB2 LEU A 15 -5.862 7.852 -26.587 1.00 60.24 H new ATOM 0 HB3 LEU A 15 -6.361 9.513 -26.843 1.00 60.24 H new ATOM 0 HG LEU A 15 -8.394 7.260 -26.982 1.00 70.32 H new ATOM 0 HD11 LEU A 15 -8.750 7.706 -24.561 1.00 2.21 H new ATOM 0 HD12 LEU A 15 -7.097 7.118 -24.859 1.00 2.21 H new ATOM 0 HD13 LEU A 15 -7.387 8.851 -24.577 1.00 2.21 H new ATOM 0 HD21 LEU A 15 -9.960 9.005 -26.353 1.00 2.11 H new ATOM 0 HD22 LEU A 15 -8.641 10.199 -26.323 1.00 2.11 H new ATOM 0 HD23 LEU A 15 -9.099 9.417 -27.854 1.00 2.11 H new ATOM 213 N CYS A 16 -4.035 8.285 -28.828 1.00 72.11 N ATOM 214 CA CYS A 16 -2.732 8.788 -29.283 1.00 41.14 C ATOM 215 C CYS A 16 -2.712 8.978 -30.808 1.00 55.33 C ATOM 216 O CYS A 16 -2.259 9.999 -31.302 1.00 32.33 O ATOM 217 CB CYS A 16 -1.621 7.810 -28.883 1.00 74.31 C ATOM 218 SG CYS A 16 -0.490 8.449 -27.623 1.00 11.44 S ATOM 0 H CYS A 16 -3.992 7.399 -28.325 1.00 72.11 H new ATOM 0 HA CYS A 16 -2.563 9.754 -28.807 1.00 41.14 H new ATOM 0 HB2 CYS A 16 -2.077 6.891 -28.514 1.00 74.31 H new ATOM 0 HB3 CYS A 16 -1.047 7.547 -29.771 1.00 74.31 H new ATOM 0 HG CYS A 16 0.410 7.551 -27.352 1.00 11.44 H new ATOM 224 N ALA A 17 -3.221 8.007 -31.548 1.00 63.20 N ATOM 225 CA ALA A 17 -3.248 8.122 -33.003 1.00 15.43 C ATOM 226 C ALA A 17 -4.208 9.231 -33.461 1.00 65.24 C ATOM 227 O ALA A 17 -3.886 10.001 -34.340 1.00 32.32 O ATOM 228 CB ALA A 17 -3.653 6.780 -33.607 1.00 71.24 C ATOM 0 H ALA A 17 -3.616 7.143 -31.177 1.00 63.20 H new ATOM 0 HA ALA A 17 -2.251 8.392 -33.350 1.00 15.43 H new ATOM 0 HB1 ALA A 17 -3.674 6.862 -34.694 1.00 71.24 H new ATOM 0 HB2 ALA A 17 -2.932 6.017 -33.315 1.00 71.24 H new ATOM 0 HB3 ALA A 17 -4.643 6.502 -33.245 1.00 71.24 H new ATOM 234 N LEU A 18 -5.371 9.324 -32.841 1.00 51.42 N ATOM 235 CA LEU A 18 -6.344 10.349 -33.218 1.00 2.11 C ATOM 236 C LEU A 18 -5.817 11.763 -32.941 1.00 60.22 C ATOM 237 O LEU A 18 -6.169 12.689 -33.663 1.00 32.05 O ATOM 238 CB LEU A 18 -7.676 10.166 -32.475 1.00 65.54 C ATOM 239 CG LEU A 18 -8.533 8.979 -32.964 1.00 61.31 C ATOM 240 CD1 LEU A 18 -9.816 8.953 -32.143 1.00 45.54 C ATOM 241 CD2 LEU A 18 -8.851 9.091 -34.469 1.00 32.33 C ATOM 0 H LEU A 18 -5.668 8.712 -32.081 1.00 51.42 H new ATOM 0 HA LEU A 18 -6.508 10.231 -34.289 1.00 2.11 H new ATOM 0 HB2 LEU A 18 -7.468 10.033 -31.413 1.00 65.54 H new ATOM 0 HB3 LEU A 18 -8.259 11.082 -32.573 1.00 65.54 H new ATOM 0 HG LEU A 18 -7.978 8.051 -32.829 1.00 61.31 H new ATOM 0 HD11 LEU A 18 -10.440 8.121 -32.470 1.00 45.54 H new ATOM 0 HD12 LEU A 18 -9.571 8.830 -31.088 1.00 45.54 H new ATOM 0 HD13 LEU A 18 -10.356 9.889 -32.283 1.00 45.54 H new ATOM 0 HD21 LEU A 18 -9.456 8.238 -34.778 1.00 32.33 H new ATOM 0 HD22 LEU A 18 -9.401 10.013 -34.657 1.00 32.33 H new ATOM 0 HD23 LEU A 18 -7.921 9.101 -35.038 1.00 32.33 H new ATOM 253 N TYR A 19 -4.965 11.931 -31.937 1.00 20.03 N ATOM 254 CA TYR A 19 -4.344 13.235 -31.695 1.00 52.23 C ATOM 255 C TYR A 19 -3.551 13.636 -32.955 1.00 72.30 C ATOM 256 O TYR A 19 -3.686 14.782 -33.428 1.00 63.32 O ATOM 257 CB TYR A 19 -3.386 13.171 -30.505 1.00 15.41 C ATOM 258 CG TYR A 19 -3.970 13.574 -29.173 1.00 71.43 C ATOM 259 CD1 TYR A 19 -5.241 13.086 -28.759 1.00 71.33 C ATOM 260 CD2 TYR A 19 -3.258 14.423 -28.295 1.00 33.04 C ATOM 261 CE1 TYR A 19 -5.766 13.456 -27.492 1.00 63.11 C ATOM 262 CE2 TYR A 19 -3.794 14.786 -27.041 1.00 51.51 C ATOM 263 CZ TYR A 19 -5.050 14.285 -26.653 1.00 75.14 C ATOM 264 OH TYR A 19 -5.556 14.594 -25.406 1.00 41.13 O ATOM 0 H TYR A 19 -4.689 11.197 -31.285 1.00 20.03 H new ATOM 0 HA TYR A 19 -5.122 13.965 -31.473 1.00 52.23 H new ATOM 0 HB2 TYR A 19 -3.007 12.152 -30.422 1.00 15.41 H new ATOM 0 HB3 TYR A 19 -2.531 13.813 -30.715 1.00 15.41 H new ATOM 0 HD1 TYR A 19 -5.807 12.434 -29.408 1.00 71.33 H new ATOM 0 HD2 TYR A 19 -2.289 14.799 -28.588 1.00 33.04 H new ATOM 0 HE1 TYR A 19 -6.732 13.086 -27.183 1.00 63.11 H new ATOM 0 HE2 TYR A 19 -3.244 15.444 -26.384 1.00 51.51 H new ATOM 0 HH TYR A 19 -5.058 15.350 -25.029 1.00 41.13 H new ATOM 274 N ALA A 20 -2.766 12.711 -33.519 1.00 51.31 N ATOM 275 CA ALA A 20 -1.982 13.017 -34.699 1.00 34.34 C ATOM 276 C ALA A 20 -2.838 13.419 -35.896 1.00 11.03 C ATOM 277 O ALA A 20 -2.524 14.390 -36.583 1.00 30.15 O ATOM 278 CB ALA A 20 -1.136 11.774 -35.073 1.00 4.01 C ATOM 0 H ALA A 20 -2.664 11.756 -33.174 1.00 51.31 H new ATOM 0 HA ALA A 20 -1.349 13.871 -34.458 1.00 34.34 H new ATOM 0 HB1 ALA A 20 -0.541 11.992 -35.960 1.00 4.01 H new ATOM 0 HB2 ALA A 20 -0.473 11.522 -34.245 1.00 4.01 H new ATOM 0 HB3 ALA A 20 -1.797 10.932 -35.278 1.00 4.01 H new ATOM 284 N GLU A 21 -3.927 12.695 -36.113 1.00 73.54 N ATOM 285 CA GLU A 21 -4.853 12.952 -37.229 1.00 1.21 C ATOM 286 C GLU A 21 -5.473 14.369 -37.174 1.00 42.21 C ATOM 287 O GLU A 21 -5.792 14.956 -38.199 1.00 55.51 O ATOM 288 CB GLU A 21 -5.994 11.918 -37.202 1.00 61.44 C ATOM 289 CG GLU A 21 -5.560 10.470 -37.409 1.00 4.31 C ATOM 290 CD GLU A 21 -5.234 10.169 -38.857 1.00 42.25 C ATOM 291 OE1 GLU A 21 -6.171 10.213 -39.687 1.00 15.33 O ATOM 292 OE2 GLU A 21 -4.068 9.875 -39.172 1.00 12.30 O ATOM 0 H GLU A 21 -4.202 11.909 -35.524 1.00 73.54 H new ATOM 0 HA GLU A 21 -4.272 12.873 -38.148 1.00 1.21 H new ATOM 0 HB2 GLU A 21 -6.509 11.993 -36.244 1.00 61.44 H new ATOM 0 HB3 GLU A 21 -6.718 12.178 -37.975 1.00 61.44 H new ATOM 0 HG2 GLU A 21 -4.686 10.263 -36.792 1.00 4.31 H new ATOM 0 HG3 GLU A 21 -6.354 9.803 -37.071 1.00 4.31 H new ATOM 299 N ILE A 22 -5.694 14.868 -35.967 1.00 42.03 N ATOM 300 CA ILE A 22 -6.313 16.159 -35.754 1.00 3.24 C ATOM 301 C ILE A 22 -5.315 17.329 -35.665 1.00 52.04 C ATOM 302 O ILE A 22 -5.577 18.434 -36.158 1.00 24.24 O ATOM 303 CB ILE A 22 -7.154 16.094 -34.404 1.00 63.02 C ATOM 304 CG1 ILE A 22 -8.281 15.068 -34.578 1.00 42.34 C ATOM 305 CG2 ILE A 22 -7.724 17.482 -34.014 1.00 40.21 C ATOM 306 CD1 ILE A 22 -9.300 15.321 -35.694 1.00 55.44 C ATOM 0 H ILE A 22 -5.446 14.382 -35.105 1.00 42.03 H new ATOM 0 HA ILE A 22 -6.940 16.357 -36.623 1.00 3.24 H new ATOM 0 HB ILE A 22 -6.496 15.788 -33.591 1.00 63.02 H new ATOM 0 HG12 ILE A 22 -7.825 14.094 -34.753 1.00 42.34 H new ATOM 0 HG13 ILE A 22 -8.824 15.001 -33.635 1.00 42.34 H new ATOM 0 HG21 ILE A 22 -8.291 17.395 -33.087 1.00 40.21 H new ATOM 0 HG22 ILE A 22 -6.904 18.186 -33.872 1.00 40.21 H new ATOM 0 HG23 ILE A 22 -8.378 17.843 -34.808 1.00 40.21 H new ATOM 0 HD11 ILE A 22 -10.038 14.519 -35.702 1.00 55.44 H new ATOM 0 HD12 ILE A 22 -9.801 16.273 -35.520 1.00 55.44 H new ATOM 0 HD13 ILE A 22 -8.787 15.351 -36.655 1.00 55.44 H new ATOM 318 N LEU A 23 -4.177 17.079 -35.049 1.00 74.11 N ATOM 319 CA LEU A 23 -3.161 18.113 -34.798 1.00 53.23 C ATOM 320 C LEU A 23 -2.180 18.245 -35.960 1.00 42.11 C ATOM 321 O LEU A 23 -1.555 19.286 -36.121 1.00 4.20 O ATOM 322 CB LEU A 23 -2.396 17.793 -33.518 1.00 50.32 C ATOM 323 CG LEU A 23 -3.255 17.827 -32.243 1.00 41.11 C ATOM 324 CD1 LEU A 23 -2.541 17.097 -31.142 1.00 3.22 C ATOM 325 CD2 LEU A 23 -3.542 19.250 -31.805 1.00 62.11 C ATOM 0 H LEU A 23 -3.919 16.155 -34.703 1.00 74.11 H new ATOM 0 HA LEU A 23 -3.683 19.064 -34.691 1.00 53.23 H new ATOM 0 HB2 LEU A 23 -1.948 16.804 -33.614 1.00 50.32 H new ATOM 0 HB3 LEU A 23 -1.578 18.505 -33.410 1.00 50.32 H new ATOM 0 HG LEU A 23 -4.207 17.342 -32.460 1.00 41.11 H new ATOM 0 HD11 LEU A 23 -3.148 17.120 -30.237 1.00 3.22 H new ATOM 0 HD12 LEU A 23 -2.373 16.062 -31.441 1.00 3.22 H new ATOM 0 HD13 LEU A 23 -1.583 17.578 -30.948 1.00 3.22 H new ATOM 0 HD21 LEU A 23 -4.151 19.237 -30.901 1.00 62.11 H new ATOM 0 HD22 LEU A 23 -2.603 19.765 -31.602 1.00 62.11 H new ATOM 0 HD23 LEU A 23 -4.079 19.773 -32.597 1.00 62.11 H new ATOM 337 N GLY A 24 -2.033 17.185 -36.747 1.00 31.53 N ATOM 338 CA GLY A 24 -1.128 17.206 -37.886 1.00 74.40 C ATOM 339 C GLY A 24 0.333 17.090 -37.489 1.00 42.23 C ATOM 340 O GLY A 24 1.211 17.540 -38.213 1.00 63.01 O ATOM 0 H GLY A 24 -2.528 16.303 -36.616 1.00 31.53 H new ATOM 0 HA2 GLY A 24 -1.381 16.387 -38.559 1.00 74.40 H new ATOM 0 HA3 GLY A 24 -1.275 18.132 -38.442 1.00 74.40 H new ATOM 344 N VAL A 25 0.586 16.478 -36.345 1.00 51.32 N ATOM 345 CA VAL A 25 1.949 16.307 -35.837 1.00 42.34 C ATOM 346 C VAL A 25 2.457 14.924 -36.181 1.00 22.34 C ATOM 347 O VAL A 25 1.680 14.002 -36.395 1.00 5.24 O ATOM 348 CB VAL A 25 2.020 16.521 -34.298 1.00 23.24 C ATOM 349 CG1 VAL A 25 1.697 17.972 -33.961 1.00 70.31 C ATOM 350 CG2 VAL A 25 1.055 15.592 -33.540 1.00 0.12 C ATOM 0 H VAL A 25 -0.137 16.086 -35.741 1.00 51.32 H new ATOM 0 HA VAL A 25 2.577 17.061 -36.312 1.00 42.34 H new ATOM 0 HB VAL A 25 3.035 16.279 -33.982 1.00 23.24 H new ATOM 0 HG11 VAL A 25 1.748 18.115 -32.882 1.00 70.31 H new ATOM 0 HG12 VAL A 25 2.418 18.628 -34.449 1.00 70.31 H new ATOM 0 HG13 VAL A 25 0.693 18.212 -34.311 1.00 70.31 H new ATOM 0 HG21 VAL A 25 1.139 15.776 -32.469 1.00 0.12 H new ATOM 0 HG22 VAL A 25 0.033 15.788 -33.863 1.00 0.12 H new ATOM 0 HG23 VAL A 25 1.309 14.553 -33.750 1.00 0.12 H new ATOM 360 N GLU A 26 3.772 14.804 -36.307 1.00 21.34 N ATOM 361 CA GLU A 26 4.405 13.563 -36.778 1.00 34.34 C ATOM 362 C GLU A 26 4.319 12.399 -35.799 1.00 11.53 C ATOM 363 O GLU A 26 4.293 11.237 -36.199 1.00 12.35 O ATOM 364 CB GLU A 26 5.877 13.827 -37.135 1.00 20.13 C ATOM 365 CG GLU A 26 6.844 14.120 -35.965 1.00 54.43 C ATOM 366 CD GLU A 26 6.443 15.338 -35.135 1.00 31.24 C ATOM 367 OE1 GLU A 26 6.075 16.381 -35.730 1.00 54.02 O ATOM 368 OE2 GLU A 26 6.424 15.235 -33.893 1.00 24.33 O ATOM 0 H GLU A 26 4.431 15.552 -36.090 1.00 21.34 H new ATOM 0 HA GLU A 26 3.838 13.260 -37.658 1.00 34.34 H new ATOM 0 HB2 GLU A 26 6.254 12.960 -37.677 1.00 20.13 H new ATOM 0 HB3 GLU A 26 5.912 14.672 -37.822 1.00 20.13 H new ATOM 0 HG2 GLU A 26 6.891 13.246 -35.315 1.00 54.43 H new ATOM 0 HG3 GLU A 26 7.847 14.275 -36.363 1.00 54.43 H new ATOM 375 N ARG A 27 4.280 12.730 -34.517 1.00 63.12 N ATOM 376 CA ARG A 27 4.133 11.719 -33.457 1.00 23.10 C ATOM 377 C ARG A 27 3.385 12.285 -32.256 1.00 2.14 C ATOM 378 O ARG A 27 3.243 13.492 -32.114 1.00 2.45 O ATOM 379 CB ARG A 27 5.507 11.207 -33.006 1.00 2.02 C ATOM 380 CG ARG A 27 6.368 12.252 -32.317 1.00 51.40 C ATOM 381 CD ARG A 27 7.446 11.617 -31.468 1.00 64.13 C ATOM 382 NE ARG A 27 8.047 12.628 -30.578 1.00 41.15 N ATOM 383 CZ ARG A 27 7.507 13.045 -29.432 1.00 74.03 C ATOM 384 NH1 ARG A 27 6.380 12.557 -28.950 1.00 20.15 N ATOM 385 NH2 ARG A 27 8.103 13.987 -28.758 1.00 12.30 N ATOM 0 H ARG A 27 4.347 13.689 -34.176 1.00 63.12 H new ATOM 0 HA ARG A 27 3.557 10.892 -33.871 1.00 23.10 H new ATOM 0 HB2 ARG A 27 5.364 10.366 -32.327 1.00 2.02 H new ATOM 0 HB3 ARG A 27 6.043 10.827 -33.875 1.00 2.02 H new ATOM 0 HG2 ARG A 27 6.827 12.897 -33.066 1.00 51.40 H new ATOM 0 HG3 ARG A 27 5.740 12.887 -31.692 1.00 51.40 H new ATOM 0 HD2 ARG A 27 7.023 10.805 -30.877 1.00 64.13 H new ATOM 0 HD3 ARG A 27 8.214 11.180 -32.107 1.00 64.13 H new ATOM 0 HE ARG A 27 8.938 13.037 -30.859 1.00 41.15 H new ATOM 0 HH11 ARG A 27 5.881 11.827 -29.459 1.00 20.15 H new ATOM 0 HH12 ARG A 27 6.007 12.909 -28.068 1.00 20.15 H new ATOM 0 HH21 ARG A 27 8.970 14.395 -29.109 1.00 12.30 H new ATOM 0 HH22 ARG A 27 7.703 14.317 -27.880 1.00 12.30 H new ATOM 399 N VAL A 28 2.951 11.399 -31.376 1.00 60.44 N ATOM 400 CA VAL A 28 2.257 11.781 -30.153 1.00 2.31 C ATOM 401 C VAL A 28 2.812 10.920 -29.009 1.00 34.04 C ATOM 402 O VAL A 28 3.028 9.724 -29.177 1.00 51.20 O ATOM 403 CB VAL A 28 0.708 11.557 -30.283 1.00 72.11 C ATOM 404 CG1 VAL A 28 -0.042 12.175 -29.097 1.00 4.33 C ATOM 405 CG2 VAL A 28 0.192 12.177 -31.575 1.00 53.21 C ATOM 0 H VAL A 28 3.069 10.392 -31.487 1.00 60.44 H new ATOM 0 HA VAL A 28 2.420 12.841 -29.959 1.00 2.31 H new ATOM 0 HB VAL A 28 0.529 10.482 -30.292 1.00 72.11 H new ATOM 0 HG11 VAL A 28 -1.112 12.004 -29.214 1.00 4.33 H new ATOM 0 HG12 VAL A 28 0.300 11.714 -28.170 1.00 4.33 H new ATOM 0 HG13 VAL A 28 0.153 13.247 -29.062 1.00 4.33 H new ATOM 0 HG21 VAL A 28 -0.883 12.014 -31.653 1.00 53.21 H new ATOM 0 HG22 VAL A 28 0.398 13.247 -31.573 1.00 53.21 H new ATOM 0 HG23 VAL A 28 0.691 11.713 -32.426 1.00 53.21 H new ATOM 415 N GLY A 29 3.055 11.538 -27.863 1.00 23.54 N ATOM 416 CA GLY A 29 3.492 10.824 -26.674 1.00 72.31 C ATOM 417 C GLY A 29 2.363 10.748 -25.671 1.00 0.44 C ATOM 418 O GLY A 29 1.364 11.427 -25.824 1.00 42.42 O ATOM 0 H GLY A 29 2.955 12.545 -27.732 1.00 23.54 H new ATOM 0 HA2 GLY A 29 3.819 9.819 -26.943 1.00 72.31 H new ATOM 0 HA3 GLY A 29 4.350 11.330 -26.231 1.00 72.31 H new ATOM 422 N VAL A 30 2.487 9.906 -24.650 1.00 61.43 N ATOM 423 CA VAL A 30 1.404 9.718 -23.685 1.00 64.43 C ATOM 424 C VAL A 30 1.103 10.980 -22.866 1.00 71.11 C ATOM 425 O VAL A 30 0.001 11.176 -22.381 1.00 61.34 O ATOM 426 CB VAL A 30 1.752 8.540 -22.728 1.00 40.31 C ATOM 427 CG1 VAL A 30 1.810 7.221 -23.525 1.00 54.35 C ATOM 428 CG2 VAL A 30 3.101 8.764 -21.993 1.00 41.21 C ATOM 0 H VAL A 30 3.320 9.346 -24.468 1.00 61.43 H new ATOM 0 HA VAL A 30 0.505 9.490 -24.257 1.00 64.43 H new ATOM 0 HB VAL A 30 0.968 8.488 -21.973 1.00 40.31 H new ATOM 0 HG11 VAL A 30 2.054 6.399 -22.852 1.00 54.35 H new ATOM 0 HG12 VAL A 30 0.842 7.034 -23.990 1.00 54.35 H new ATOM 0 HG13 VAL A 30 2.575 7.296 -24.298 1.00 54.35 H new ATOM 0 HG21 VAL A 30 3.303 7.917 -21.337 1.00 41.21 H new ATOM 0 HG22 VAL A 30 3.903 8.855 -22.725 1.00 41.21 H new ATOM 0 HG23 VAL A 30 3.045 9.677 -21.401 1.00 41.21 H new ATOM 438 N ASP A 31 2.086 11.867 -22.772 1.00 1.43 N ATOM 439 CA ASP A 31 1.978 13.091 -22.004 1.00 63.11 C ATOM 440 C ASP A 31 1.875 14.338 -22.891 1.00 32.24 C ATOM 441 O ASP A 31 2.074 15.450 -22.452 1.00 70.44 O ATOM 442 CB ASP A 31 3.207 13.233 -21.093 1.00 64.21 C ATOM 443 CG ASP A 31 3.225 12.246 -19.963 1.00 63.25 C ATOM 444 OD1 ASP A 31 2.204 12.166 -19.248 1.00 73.35 O ATOM 445 OD2 ASP A 31 4.214 11.485 -19.809 1.00 3.13 O ATOM 0 H ASP A 31 2.988 11.751 -23.234 1.00 1.43 H new ATOM 0 HA ASP A 31 1.061 13.022 -21.419 1.00 63.11 H new ATOM 0 HB2 ASP A 31 4.110 13.107 -21.690 1.00 64.21 H new ATOM 0 HB3 ASP A 31 3.233 14.243 -20.684 1.00 64.21 H new ATOM 450 N ASP A 32 1.589 14.150 -24.175 1.00 32.04 N ATOM 451 CA ASP A 32 1.589 15.274 -25.080 1.00 11.33 C ATOM 452 C ASP A 32 0.287 16.061 -24.980 1.00 33.14 C ATOM 453 O ASP A 32 -0.797 15.553 -25.279 1.00 74.20 O ATOM 454 CB ASP A 32 1.831 14.839 -26.531 1.00 13.20 C ATOM 455 CG ASP A 32 3.263 15.097 -26.978 1.00 55.25 C ATOM 456 OD1 ASP A 32 3.749 16.236 -26.821 1.00 71.11 O ATOM 457 OD2 ASP A 32 3.911 14.155 -27.476 1.00 43.23 O ATOM 0 H ASP A 32 1.361 13.250 -24.597 1.00 32.04 H new ATOM 0 HA ASP A 32 2.413 15.921 -24.780 1.00 11.33 H new ATOM 0 HB2 ASP A 32 1.606 13.777 -26.632 1.00 13.20 H new ATOM 0 HB3 ASP A 32 1.145 15.374 -27.188 1.00 13.20 H new ATOM 462 N ALA A 33 0.378 17.288 -24.492 1.00 11.45 N ATOM 463 CA ALA A 33 -0.812 18.103 -24.267 1.00 53.22 C ATOM 464 C ALA A 33 -1.339 18.671 -25.581 1.00 33.04 C ATOM 465 O ALA A 33 -0.686 19.449 -26.246 1.00 53.55 O ATOM 466 CB ALA A 33 -0.485 19.228 -23.295 1.00 51.20 C ATOM 0 H ALA A 33 1.257 17.742 -24.244 1.00 11.45 H new ATOM 0 HA ALA A 33 -1.591 17.473 -23.838 1.00 53.22 H new ATOM 0 HB1 ALA A 33 -1.375 19.835 -23.129 1.00 51.20 H new ATOM 0 HB2 ALA A 33 -0.152 18.805 -22.347 1.00 51.20 H new ATOM 0 HB3 ALA A 33 0.306 19.851 -23.712 1.00 51.20 H new ATOM 472 N PHE A 34 -2.580 18.326 -25.876 1.00 75.31 N ATOM 473 CA PHE A 34 -3.283 18.730 -27.094 1.00 44.21 C ATOM 474 C PHE A 34 -3.137 20.232 -27.414 1.00 43.43 C ATOM 475 O PHE A 34 -2.941 20.600 -28.568 1.00 51.51 O ATOM 476 CB PHE A 34 -4.770 18.369 -26.922 1.00 2.51 C ATOM 477 CG PHE A 34 -5.599 18.548 -28.164 1.00 71.13 C ATOM 478 CD1 PHE A 34 -5.636 17.536 -29.152 1.00 55.44 C ATOM 479 CD2 PHE A 34 -6.400 19.693 -28.331 1.00 22.35 C ATOM 480 CE1 PHE A 34 -6.457 17.694 -30.311 1.00 33.34 C ATOM 481 CE2 PHE A 34 -7.234 19.861 -29.477 1.00 73.20 C ATOM 482 CZ PHE A 34 -7.255 18.848 -30.468 1.00 23.24 C ATOM 0 H PHE A 34 -3.147 17.741 -25.262 1.00 75.31 H new ATOM 0 HA PHE A 34 -2.837 18.201 -27.936 1.00 44.21 H new ATOM 0 HB2 PHE A 34 -4.844 17.331 -26.596 1.00 2.51 H new ATOM 0 HB3 PHE A 34 -5.191 18.984 -26.127 1.00 2.51 H new ATOM 0 HD1 PHE A 34 -5.042 16.642 -29.030 1.00 55.44 H new ATOM 0 HD2 PHE A 34 -6.383 20.463 -27.574 1.00 22.35 H new ATOM 0 HE1 PHE A 34 -6.467 16.927 -31.071 1.00 33.34 H new ATOM 0 HE2 PHE A 34 -7.841 20.748 -29.587 1.00 73.20 H new ATOM 0 HZ PHE A 34 -7.880 18.959 -31.342 1.00 23.24 H new ATOM 492 N HIS A 35 -3.246 21.101 -26.411 1.00 54.03 N ATOM 493 CA HIS A 35 -3.187 22.548 -26.667 1.00 2.32 C ATOM 494 C HIS A 35 -1.780 23.080 -26.983 1.00 14.12 C ATOM 495 O HIS A 35 -1.660 24.153 -27.562 1.00 31.13 O ATOM 496 CB HIS A 35 -3.790 23.325 -25.486 1.00 24.03 C ATOM 497 CG HIS A 35 -2.986 23.240 -24.223 1.00 25.33 C ATOM 498 ND1 HIS A 35 -1.744 23.701 -23.914 1.00 23.14 N flip ATOM 499 CD2 HIS A 35 -3.430 22.617 -23.050 1.00 10.15 C flip ATOM 500 CE1 HIS A 35 -1.445 23.337 -22.645 1.00 13.20 C flip ATOM 501 NE2 HIS A 35 -2.459 22.694 -22.140 1.00 12.31 N flip ATOM 0 H HIS A 35 -3.373 20.842 -25.433 1.00 54.03 H new ATOM 0 HA HIS A 35 -3.778 22.710 -27.569 1.00 2.32 H new ATOM 0 HB2 HIS A 35 -3.893 24.373 -25.769 1.00 24.03 H new ATOM 0 HB3 HIS A 35 -4.794 22.947 -25.291 1.00 24.03 H new ATOM 0 HD1 HIS A 35 -1.137 24.234 -24.537 1.00 23.14 H new ATOM 0 HD2 HIS A 35 -4.395 22.153 -22.907 1.00 10.15 H new ATOM 0 HE1 HIS A 35 -0.517 23.546 -22.134 1.00 13.20 H new ATOM 509 N ASP A 36 -0.729 22.361 -26.586 1.00 61.23 N ATOM 510 CA ASP A 36 0.636 22.847 -26.806 1.00 71.32 C ATOM 511 C ASP A 36 1.096 22.433 -28.208 1.00 4.51 C ATOM 512 O ASP A 36 2.000 23.033 -28.790 1.00 61.25 O ATOM 513 CB ASP A 36 1.592 22.296 -25.741 1.00 1.35 C ATOM 514 CG ASP A 36 1.346 22.924 -24.362 1.00 11.40 C ATOM 515 OD1 ASP A 36 1.205 24.165 -24.279 1.00 63.11 O ATOM 516 OD2 ASP A 36 1.183 22.174 -23.375 1.00 43.43 O ATOM 0 H ASP A 36 -0.792 21.456 -26.119 1.00 61.23 H new ATOM 0 HA ASP A 36 0.645 23.934 -26.727 1.00 71.32 H new ATOM 0 HB2 ASP A 36 1.473 21.215 -25.673 1.00 1.35 H new ATOM 0 HB3 ASP A 36 2.621 22.485 -26.046 1.00 1.35 H new ATOM 521 N LEU A 37 0.412 21.437 -28.752 1.00 42.24 N ATOM 522 CA LEU A 37 0.647 20.968 -30.108 1.00 53.42 C ATOM 523 C LEU A 37 -0.229 21.746 -31.103 1.00 43.43 C ATOM 524 O LEU A 37 -0.470 21.294 -32.214 1.00 11.25 O ATOM 525 CB LEU A 37 0.341 19.463 -30.164 1.00 1.11 C ATOM 526 CG LEU A 37 1.126 18.503 -29.251 1.00 42.53 C ATOM 527 CD1 LEU A 37 0.591 17.072 -29.489 1.00 22.32 C ATOM 528 CD2 LEU A 37 2.620 18.540 -29.464 1.00 3.44 C ATOM 0 H LEU A 37 -0.325 20.930 -28.262 1.00 42.24 H new ATOM 0 HA LEU A 37 1.687 21.136 -30.386 1.00 53.42 H new ATOM 0 HB2 LEU A 37 -0.718 19.335 -29.941 1.00 1.11 H new ATOM 0 HB3 LEU A 37 0.493 19.135 -31.192 1.00 1.11 H new ATOM 0 HG LEU A 37 0.971 18.825 -28.221 1.00 42.53 H new ATOM 0 HD11 LEU A 37 1.132 16.371 -28.853 1.00 22.32 H new ATOM 0 HD12 LEU A 37 -0.471 17.036 -29.248 1.00 22.32 H new ATOM 0 HD13 LEU A 37 0.735 16.799 -30.534 1.00 22.32 H new ATOM 0 HD21 LEU A 37 3.102 17.837 -28.785 1.00 3.44 H new ATOM 0 HD22 LEU A 37 2.848 18.264 -30.494 1.00 3.44 H new ATOM 0 HD23 LEU A 37 2.991 19.546 -29.268 1.00 3.44 H new ATOM 540 N GLY A 38 -0.696 22.914 -30.693 1.00 63.23 N ATOM 541 CA GLY A 38 -1.498 23.773 -31.555 1.00 44.24 C ATOM 542 C GLY A 38 -3.009 23.546 -31.492 1.00 25.42 C ATOM 543 O GLY A 38 -3.784 24.145 -32.246 1.00 0.32 O ATOM 0 H GLY A 38 -0.533 23.293 -29.760 1.00 63.23 H new ATOM 0 HA2 GLY A 38 -1.293 24.811 -31.295 1.00 44.24 H new ATOM 0 HA3 GLY A 38 -1.170 23.632 -32.585 1.00 44.24 H new ATOM 547 N GLY A 39 -3.430 22.660 -30.603 1.00 23.54 N ATOM 548 CA GLY A 39 -4.839 22.332 -30.471 1.00 71.20 C ATOM 549 C GLY A 39 -5.685 23.490 -29.983 1.00 63.22 C ATOM 550 O GLY A 39 -5.237 24.358 -29.254 1.00 34.04 O ATOM 0 H GLY A 39 -2.816 22.156 -29.963 1.00 23.54 H new ATOM 0 HA2 GLY A 39 -5.218 21.997 -31.436 1.00 71.20 H new ATOM 0 HA3 GLY A 39 -4.946 21.497 -29.779 1.00 71.20 H new ATOM 554 N SER A 40 -6.945 23.477 -30.377 1.00 2.03 N ATOM 555 CA SER A 40 -7.884 24.542 -30.049 1.00 62.23 C ATOM 556 C SER A 40 -9.207 23.894 -29.764 1.00 11.22 C ATOM 557 O SER A 40 -9.398 22.750 -30.141 1.00 63.43 O ATOM 558 CB SER A 40 -7.996 25.501 -31.243 1.00 43.14 C ATOM 559 OG SER A 40 -9.018 26.473 -31.026 1.00 62.00 O ATOM 0 H SER A 40 -7.351 22.726 -30.936 1.00 2.03 H new ATOM 0 HA SER A 40 -7.553 25.115 -29.183 1.00 62.23 H new ATOM 0 HB2 SER A 40 -7.041 26.002 -31.402 1.00 43.14 H new ATOM 0 HB3 SER A 40 -8.214 24.935 -32.149 1.00 43.14 H new ATOM 0 HG SER A 40 -9.069 27.073 -31.799 1.00 62.00 H new ATOM 565 N SER A 41 -10.137 24.616 -29.151 1.00 53.42 N ATOM 566 CA SER A 41 -11.476 24.082 -28.898 1.00 54.35 C ATOM 567 C SER A 41 -12.158 23.736 -30.217 1.00 14.20 C ATOM 568 O SER A 41 -12.948 22.792 -30.294 1.00 24.24 O ATOM 569 CB SER A 41 -12.312 25.103 -28.131 1.00 51.04 C ATOM 570 OG SER A 41 -11.591 25.545 -26.987 1.00 40.12 O ATOM 0 H SER A 41 -9.993 25.570 -28.820 1.00 53.42 H new ATOM 0 HA SER A 41 -11.386 23.177 -28.297 1.00 54.35 H new ATOM 0 HB2 SER A 41 -12.550 25.951 -28.774 1.00 51.04 H new ATOM 0 HB3 SER A 41 -13.259 24.658 -27.827 1.00 51.04 H new ATOM 0 HG SER A 41 -11.769 24.942 -26.235 1.00 40.12 H new ATOM 576 N ALA A 42 -11.803 24.448 -31.277 1.00 33.11 N ATOM 577 CA ALA A 42 -12.330 24.158 -32.606 1.00 54.31 C ATOM 578 C ALA A 42 -11.888 22.758 -33.070 1.00 43.02 C ATOM 579 O ALA A 42 -12.669 22.005 -33.636 1.00 72.00 O ATOM 580 CB ALA A 42 -11.865 25.238 -33.600 1.00 64.15 C ATOM 0 H ALA A 42 -11.151 25.232 -31.244 1.00 33.11 H new ATOM 0 HA ALA A 42 -13.419 24.168 -32.565 1.00 54.31 H new ATOM 0 HB1 ALA A 42 -12.262 25.016 -34.591 1.00 64.15 H new ATOM 0 HB2 ALA A 42 -12.228 26.213 -33.274 1.00 64.15 H new ATOM 0 HB3 ALA A 42 -10.776 25.251 -33.640 1.00 64.15 H new ATOM 586 N LEU A 43 -10.634 22.423 -32.804 1.00 61.01 N ATOM 587 CA LEU A 43 -10.092 21.124 -33.194 1.00 61.42 C ATOM 588 C LEU A 43 -10.535 20.050 -32.214 1.00 64.42 C ATOM 589 O LEU A 43 -10.659 18.892 -32.586 1.00 74.03 O ATOM 590 CB LEU A 43 -8.563 21.190 -33.248 1.00 62.45 C ATOM 591 CG LEU A 43 -7.958 22.086 -34.349 1.00 32.22 C ATOM 592 CD1 LEU A 43 -6.463 22.237 -34.147 1.00 4.12 C ATOM 593 CD2 LEU A 43 -8.227 21.498 -35.737 1.00 11.43 C ATOM 0 H LEU A 43 -9.971 23.030 -32.321 1.00 61.01 H new ATOM 0 HA LEU A 43 -10.471 20.869 -34.184 1.00 61.42 H new ATOM 0 HB2 LEU A 43 -8.201 21.542 -32.282 1.00 62.45 H new ATOM 0 HB3 LEU A 43 -8.181 20.178 -33.382 1.00 62.45 H new ATOM 0 HG LEU A 43 -8.432 23.065 -34.281 1.00 32.22 H new ATOM 0 HD11 LEU A 43 -6.052 22.872 -34.932 1.00 4.12 H new ATOM 0 HD12 LEU A 43 -6.271 22.692 -33.175 1.00 4.12 H new ATOM 0 HD13 LEU A 43 -5.989 21.256 -34.188 1.00 4.12 H new ATOM 0 HD21 LEU A 43 -7.792 22.146 -36.497 1.00 11.43 H new ATOM 0 HD22 LEU A 43 -7.779 20.507 -35.805 1.00 11.43 H new ATOM 0 HD23 LEU A 43 -9.302 21.422 -35.898 1.00 11.43 H new ATOM 605 N ALA A 44 -10.792 20.427 -30.973 1.00 3.02 N ATOM 606 CA ALA A 44 -11.253 19.468 -29.970 1.00 11.14 C ATOM 607 C ALA A 44 -12.584 18.861 -30.417 1.00 1.24 C ATOM 608 O ALA A 44 -12.810 17.689 -30.257 1.00 1.15 O ATOM 609 CB ALA A 44 -11.405 20.168 -28.612 1.00 42.02 C ATOM 0 H ALA A 44 -10.692 21.383 -30.632 1.00 3.02 H new ATOM 0 HA ALA A 44 -10.521 18.667 -29.865 1.00 11.14 H new ATOM 0 HB1 ALA A 44 -11.749 19.449 -27.868 1.00 42.02 H new ATOM 0 HB2 ALA A 44 -10.443 20.577 -28.304 1.00 42.02 H new ATOM 0 HB3 ALA A 44 -12.132 20.976 -28.698 1.00 42.02 H new ATOM 615 N MET A 45 -13.447 19.674 -31.032 1.00 13.25 N ATOM 616 CA MET A 45 -14.711 19.172 -31.548 1.00 10.32 C ATOM 617 C MET A 45 -14.491 18.157 -32.666 1.00 72.02 C ATOM 618 O MET A 45 -15.237 17.189 -32.779 1.00 22.41 O ATOM 619 CB MET A 45 -15.600 20.311 -32.059 1.00 72.11 C ATOM 620 CG MET A 45 -16.106 21.245 -30.956 1.00 40.44 C ATOM 621 SD MET A 45 -17.191 20.372 -29.809 1.00 4.30 S ATOM 622 CE MET A 45 -17.776 21.732 -28.783 1.00 35.00 C ATOM 0 H MET A 45 -13.291 20.671 -31.181 1.00 13.25 H new ATOM 0 HA MET A 45 -15.216 18.678 -30.718 1.00 10.32 H new ATOM 0 HB2 MET A 45 -15.040 20.896 -32.789 1.00 72.11 H new ATOM 0 HB3 MET A 45 -16.456 19.884 -32.581 1.00 72.11 H new ATOM 0 HG2 MET A 45 -15.259 21.663 -30.413 1.00 40.44 H new ATOM 0 HG3 MET A 45 -16.642 22.082 -31.402 1.00 40.44 H new ATOM 0 HE1 MET A 45 -18.458 21.348 -28.025 1.00 35.00 H new ATOM 0 HE2 MET A 45 -16.927 22.213 -28.297 1.00 35.00 H new ATOM 0 HE3 MET A 45 -18.297 22.459 -29.405 1.00 35.00 H new ATOM 632 N ARG A 46 -13.446 18.340 -33.467 1.00 73.24 N ATOM 633 CA ARG A 46 -13.116 17.370 -34.520 1.00 45.01 C ATOM 634 C ARG A 46 -12.580 16.077 -33.918 1.00 50.25 C ATOM 635 O ARG A 46 -12.875 14.999 -34.404 1.00 1.02 O ATOM 636 CB ARG A 46 -12.091 17.926 -35.483 1.00 23.52 C ATOM 637 CG ARG A 46 -12.541 19.131 -36.230 1.00 44.34 C ATOM 638 CD ARG A 46 -11.641 19.248 -37.401 1.00 22.41 C ATOM 639 NE ARG A 46 -11.610 20.603 -37.972 1.00 32.31 N ATOM 640 CZ ARG A 46 -10.821 20.995 -38.968 1.00 23.31 C ATOM 641 NH1 ARG A 46 -9.949 20.197 -39.535 1.00 75.51 N ATOM 642 NH2 ARG A 46 -10.899 22.218 -39.398 1.00 14.12 N ATOM 0 H ARG A 46 -12.816 19.140 -33.413 1.00 73.24 H new ATOM 0 HA ARG A 46 -14.038 17.165 -35.064 1.00 45.01 H new ATOM 0 HB2 ARG A 46 -11.186 18.174 -34.928 1.00 23.52 H new ATOM 0 HB3 ARG A 46 -11.823 17.149 -36.199 1.00 23.52 H new ATOM 0 HG2 ARG A 46 -13.579 19.029 -36.545 1.00 44.34 H new ATOM 0 HG3 ARG A 46 -12.484 20.022 -35.604 1.00 44.34 H new ATOM 0 HD2 ARG A 46 -10.632 18.961 -37.106 1.00 22.41 H new ATOM 0 HD3 ARG A 46 -11.961 18.544 -38.169 1.00 22.41 H new ATOM 0 HE ARG A 46 -12.243 21.296 -37.573 1.00 32.31 H new ATOM 0 HH11 ARG A 46 -9.856 19.233 -39.215 1.00 75.51 H new ATOM 0 HH12 ARG A 46 -9.364 20.540 -40.297 1.00 75.51 H new ATOM 0 HH21 ARG A 46 -11.561 22.867 -38.972 1.00 14.12 H new ATOM 0 HH22 ARG A 46 -10.299 22.529 -40.161 1.00 14.12 H new ATOM 656 N LEU A 47 -11.805 16.205 -32.853 1.00 25.42 N ATOM 657 CA LEU A 47 -11.241 15.045 -32.154 1.00 51.45 C ATOM 658 C LEU A 47 -12.364 14.205 -31.586 1.00 23.33 C ATOM 659 O LEU A 47 -12.407 12.997 -31.749 1.00 12.43 O ATOM 660 CB LEU A 47 -10.282 15.503 -31.040 1.00 75.44 C ATOM 661 CG LEU A 47 -9.607 14.385 -30.235 1.00 53.22 C ATOM 662 CD1 LEU A 47 -8.624 13.560 -31.072 1.00 2.24 C ATOM 663 CD2 LEU A 47 -8.863 15.008 -29.047 1.00 25.25 C ATOM 0 H LEU A 47 -11.547 17.104 -32.446 1.00 25.42 H new ATOM 0 HA LEU A 47 -10.670 14.441 -32.859 1.00 51.45 H new ATOM 0 HB2 LEU A 47 -9.505 16.122 -31.488 1.00 75.44 H new ATOM 0 HB3 LEU A 47 -10.836 16.138 -30.349 1.00 75.44 H new ATOM 0 HG LEU A 47 -10.389 13.705 -29.897 1.00 53.22 H new ATOM 0 HD11 LEU A 47 -8.178 12.785 -30.449 1.00 2.24 H new ATOM 0 HD12 LEU A 47 -9.154 13.097 -31.904 1.00 2.24 H new ATOM 0 HD13 LEU A 47 -7.840 14.211 -31.459 1.00 2.24 H new ATOM 0 HD21 LEU A 47 -8.379 14.222 -28.468 1.00 25.25 H new ATOM 0 HD22 LEU A 47 -8.109 15.704 -29.414 1.00 25.25 H new ATOM 0 HD23 LEU A 47 -9.571 15.542 -28.413 1.00 25.25 H new ATOM 675 N ILE A 48 -13.329 14.872 -30.933 1.00 33.40 N ATOM 676 CA ILE A 48 -14.471 14.190 -30.345 1.00 21.33 C ATOM 677 C ILE A 48 -15.269 13.503 -31.443 1.00 73.40 C ATOM 678 O ILE A 48 -15.756 12.397 -31.241 1.00 5.32 O ATOM 679 CB ILE A 48 -15.355 15.210 -29.563 1.00 62.41 C ATOM 680 CG1 ILE A 48 -14.577 15.734 -28.344 1.00 64.42 C ATOM 681 CG2 ILE A 48 -16.679 14.551 -29.098 1.00 63.30 C ATOM 682 CD1 ILE A 48 -15.120 17.030 -27.770 1.00 54.02 C ATOM 0 H ILE A 48 -13.332 15.884 -30.804 1.00 33.40 H new ATOM 0 HA ILE A 48 -14.126 13.433 -29.641 1.00 21.33 H new ATOM 0 HB ILE A 48 -15.600 16.039 -30.227 1.00 62.41 H new ATOM 0 HG12 ILE A 48 -14.588 14.972 -27.565 1.00 64.42 H new ATOM 0 HG13 ILE A 48 -13.536 15.884 -28.629 1.00 64.42 H new ATOM 0 HG21 ILE A 48 -17.278 15.282 -28.555 1.00 63.30 H new ATOM 0 HG22 ILE A 48 -17.235 14.199 -29.967 1.00 63.30 H new ATOM 0 HG23 ILE A 48 -16.456 13.708 -28.445 1.00 63.30 H new ATOM 0 HD11 ILE A 48 -14.515 17.330 -26.914 1.00 54.02 H new ATOM 0 HD12 ILE A 48 -15.083 17.809 -28.532 1.00 54.02 H new ATOM 0 HD13 ILE A 48 -16.152 16.883 -27.451 1.00 54.02 H new ATOM 694 N ALA A 49 -15.399 14.129 -32.610 1.00 4.24 N ATOM 695 CA ALA A 49 -16.121 13.494 -33.704 1.00 71.15 C ATOM 696 C ALA A 49 -15.423 12.188 -34.146 1.00 75.41 C ATOM 697 O ALA A 49 -16.080 11.176 -34.332 1.00 41.01 O ATOM 698 CB ALA A 49 -16.266 14.473 -34.895 1.00 44.13 C ATOM 0 H ALA A 49 -15.023 15.054 -32.818 1.00 4.24 H new ATOM 0 HA ALA A 49 -17.118 13.233 -33.349 1.00 71.15 H new ATOM 0 HB1 ALA A 49 -16.808 13.984 -35.704 1.00 44.13 H new ATOM 0 HB2 ALA A 49 -16.815 15.358 -34.574 1.00 44.13 H new ATOM 0 HB3 ALA A 49 -15.277 14.768 -35.246 1.00 44.13 H new ATOM 704 N ARG A 50 -14.124 12.213 -34.242 1.00 42.34 N ATOM 705 CA ARG A 50 -13.350 11.018 -34.627 1.00 1.31 C ATOM 706 C ARG A 50 -13.435 9.931 -33.565 1.00 42.12 C ATOM 707 O ARG A 50 -13.428 8.745 -33.871 1.00 13.35 O ATOM 708 CB ARG A 50 -11.875 11.393 -34.797 1.00 3.04 C ATOM 709 CG ARG A 50 -11.538 11.963 -36.135 1.00 32.33 C ATOM 710 CD ARG A 50 -11.511 10.912 -37.245 1.00 73.31 C ATOM 711 NE ARG A 50 -10.605 11.334 -38.328 1.00 34.44 N ATOM 712 CZ ARG A 50 -9.496 10.703 -38.701 1.00 12.43 C ATOM 713 NH1 ARG A 50 -9.097 9.580 -38.167 1.00 1.12 N ATOM 714 NH2 ARG A 50 -8.752 11.227 -39.631 1.00 11.43 N ATOM 0 H ARG A 50 -13.557 13.041 -34.062 1.00 42.34 H new ATOM 0 HA ARG A 50 -13.771 10.643 -35.560 1.00 1.31 H new ATOM 0 HB2 ARG A 50 -11.605 12.117 -34.028 1.00 3.04 H new ATOM 0 HB3 ARG A 50 -11.265 10.506 -34.628 1.00 3.04 H new ATOM 0 HG2 ARG A 50 -12.267 12.733 -36.389 1.00 32.33 H new ATOM 0 HG3 ARG A 50 -10.565 12.451 -36.081 1.00 32.33 H new ATOM 0 HD2 ARG A 50 -11.184 9.954 -36.840 1.00 73.31 H new ATOM 0 HD3 ARG A 50 -12.516 10.764 -37.640 1.00 73.31 H new ATOM 0 HE ARG A 50 -10.850 12.184 -38.835 1.00 34.44 H new ATOM 0 HH11 ARG A 50 -9.645 9.145 -37.425 1.00 1.12 H new ATOM 0 HH12 ARG A 50 -8.237 9.138 -38.492 1.00 1.12 H new ATOM 0 HH21 ARG A 50 -9.023 12.110 -40.063 1.00 11.43 H new ATOM 0 HH22 ARG A 50 -7.898 10.754 -39.928 1.00 11.43 H new ATOM 728 N ILE A 51 -13.547 10.332 -32.316 1.00 14.23 N ATOM 729 CA ILE A 51 -13.632 9.367 -31.232 1.00 23.22 C ATOM 730 C ILE A 51 -14.961 8.591 -31.370 1.00 41.30 C ATOM 731 O ILE A 51 -15.009 7.431 -31.054 1.00 24.03 O ATOM 732 CB ILE A 51 -13.527 10.057 -29.821 1.00 22.44 C ATOM 733 CG1 ILE A 51 -12.060 10.486 -29.583 1.00 52.41 C ATOM 734 CG2 ILE A 51 -13.942 9.086 -28.713 1.00 21.25 C ATOM 735 CD1 ILE A 51 -11.854 11.440 -28.393 1.00 55.32 C ATOM 0 H ILE A 51 -13.581 11.309 -32.024 1.00 14.23 H new ATOM 0 HA ILE A 51 -12.789 8.679 -31.302 1.00 23.22 H new ATOM 0 HB ILE A 51 -14.191 10.921 -29.801 1.00 22.44 H new ATOM 0 HG12 ILE A 51 -11.456 9.593 -29.424 1.00 52.41 H new ATOM 0 HG13 ILE A 51 -11.685 10.968 -30.486 1.00 52.41 H new ATOM 0 HG21 ILE A 51 -13.862 9.582 -27.746 1.00 21.25 H new ATOM 0 HG22 ILE A 51 -14.972 8.769 -28.874 1.00 21.25 H new ATOM 0 HG23 ILE A 51 -13.287 8.215 -28.729 1.00 21.25 H new ATOM 0 HD11 ILE A 51 -10.796 11.686 -28.303 1.00 55.32 H new ATOM 0 HD12 ILE A 51 -12.427 12.353 -28.555 1.00 55.32 H new ATOM 0 HD13 ILE A 51 -12.193 10.957 -27.477 1.00 55.32 H new ATOM 747 N ARG A 52 -16.003 9.217 -31.898 1.00 43.40 N ATOM 748 CA ARG A 52 -17.267 8.517 -32.146 1.00 2.21 C ATOM 749 C ARG A 52 -17.125 7.456 -33.215 1.00 13.14 C ATOM 750 O ARG A 52 -17.865 6.472 -33.210 1.00 15.45 O ATOM 751 CB ARG A 52 -18.338 9.445 -32.536 1.00 23.22 C ATOM 752 CG ARG A 52 -18.703 10.470 -31.524 1.00 3.21 C ATOM 753 CD ARG A 52 -19.821 11.393 -32.088 1.00 61.23 C ATOM 754 NE ARG A 52 -21.036 11.153 -31.333 1.00 23.00 N ATOM 755 CZ ARG A 52 -22.252 11.355 -31.830 1.00 72.20 C ATOM 756 NH1 ARG A 52 -22.478 11.793 -33.066 1.00 64.12 N ATOM 757 NH2 ARG A 52 -23.282 11.129 -31.068 1.00 61.11 N ATOM 0 H ARG A 52 -16.005 10.202 -32.163 1.00 43.40 H new ATOM 0 HA ARG A 52 -17.534 8.039 -31.204 1.00 2.21 H new ATOM 0 HB2 ARG A 52 -18.036 9.955 -33.451 1.00 23.22 H new ATOM 0 HB3 ARG A 52 -19.228 8.863 -32.775 1.00 23.22 H new ATOM 0 HG2 ARG A 52 -19.046 9.986 -30.610 1.00 3.21 H new ATOM 0 HG3 ARG A 52 -17.827 11.063 -31.262 1.00 3.21 H new ATOM 0 HD2 ARG A 52 -19.525 12.439 -32.008 1.00 61.23 H new ATOM 0 HD3 ARG A 52 -19.985 11.188 -33.146 1.00 61.23 H new ATOM 0 HE ARG A 52 -20.953 10.813 -30.375 1.00 23.00 H new ATOM 0 HH11 ARG A 52 -21.694 11.993 -33.688 1.00 64.12 H new ATOM 0 HH12 ARG A 52 -23.435 11.929 -33.392 1.00 64.12 H new ATOM 0 HH21 ARG A 52 -23.147 10.804 -30.111 1.00 61.11 H new ATOM 0 HH22 ARG A 52 -24.225 11.277 -31.428 1.00 61.11 H new ATOM 771 N GLU A 53 -16.192 7.659 -34.145 1.00 2.34 N ATOM 772 CA GLU A 53 -15.998 6.722 -35.238 1.00 44.42 C ATOM 773 C GLU A 53 -15.223 5.528 -34.701 1.00 55.11 C ATOM 774 O GLU A 53 -15.484 4.399 -35.065 1.00 31.14 O ATOM 775 CB GLU A 53 -15.196 7.387 -36.356 1.00 2.22 C ATOM 776 CG GLU A 53 -15.872 8.598 -36.976 1.00 24.15 C ATOM 777 CD GLU A 53 -14.932 9.442 -37.836 1.00 61.02 C ATOM 778 OE1 GLU A 53 -14.094 8.881 -38.558 1.00 32.22 O ATOM 779 OE2 GLU A 53 -15.024 10.692 -37.751 1.00 75.31 O ATOM 0 H GLU A 53 -15.564 8.462 -34.159 1.00 2.34 H new ATOM 0 HA GLU A 53 -16.962 6.406 -35.638 1.00 44.42 H new ATOM 0 HB2 GLU A 53 -14.226 7.690 -35.961 1.00 2.22 H new ATOM 0 HB3 GLU A 53 -15.006 6.652 -37.138 1.00 2.22 H new ATOM 0 HG2 GLU A 53 -16.710 8.264 -37.587 1.00 24.15 H new ATOM 0 HG3 GLU A 53 -16.284 9.221 -36.182 1.00 24.15 H new ATOM 786 N GLU A 54 -14.246 5.812 -33.856 1.00 1.32 N ATOM 787 CA GLU A 54 -13.325 4.777 -33.364 1.00 13.11 C ATOM 788 C GLU A 54 -13.772 4.031 -32.107 1.00 23.33 C ATOM 789 O GLU A 54 -13.555 2.833 -32.004 1.00 15.41 O ATOM 790 CB GLU A 54 -11.974 5.407 -33.039 1.00 2.43 C ATOM 791 CG GLU A 54 -11.205 5.898 -34.269 1.00 42.24 C ATOM 792 CD GLU A 54 -10.754 4.752 -35.143 1.00 52.43 C ATOM 793 OE1 GLU A 54 -10.128 3.804 -34.610 1.00 34.43 O ATOM 794 OE2 GLU A 54 -10.952 4.819 -36.366 1.00 54.14 O ATOM 0 H GLU A 54 -14.063 6.747 -33.491 1.00 1.32 H new ATOM 0 HA GLU A 54 -13.286 4.049 -34.175 1.00 13.11 H new ATOM 0 HB2 GLU A 54 -12.129 6.246 -32.361 1.00 2.43 H new ATOM 0 HB3 GLU A 54 -11.363 4.677 -32.508 1.00 2.43 H new ATOM 0 HG2 GLU A 54 -11.838 6.570 -34.849 1.00 42.24 H new ATOM 0 HG3 GLU A 54 -10.337 6.474 -33.949 1.00 42.24 H new ATOM 801 N LEU A 55 -14.355 4.734 -31.136 1.00 12.14 N ATOM 802 CA LEU A 55 -14.726 4.117 -29.852 1.00 14.43 C ATOM 803 C LEU A 55 -16.270 4.001 -29.752 1.00 45.43 C ATOM 804 O LEU A 55 -16.802 3.467 -28.792 1.00 3.13 O ATOM 805 CB LEU A 55 -14.214 4.929 -28.666 1.00 24.31 C ATOM 806 CG LEU A 55 -12.714 5.326 -28.589 1.00 62.21 C ATOM 807 CD1 LEU A 55 -12.436 6.043 -27.239 1.00 11.02 C ATOM 808 CD2 LEU A 55 -11.747 4.156 -28.704 1.00 65.40 C ATOM 0 H LEU A 55 -14.582 5.726 -31.208 1.00 12.14 H new ATOM 0 HA LEU A 55 -14.267 3.129 -29.818 1.00 14.43 H new ATOM 0 HB2 LEU A 55 -14.796 5.850 -28.628 1.00 24.31 H new ATOM 0 HB3 LEU A 55 -14.448 4.366 -27.762 1.00 24.31 H new ATOM 0 HG LEU A 55 -12.539 5.975 -29.447 1.00 62.21 H new ATOM 0 HD11 LEU A 55 -11.384 6.322 -27.185 1.00 11.02 H new ATOM 0 HD12 LEU A 55 -13.053 6.939 -27.169 1.00 11.02 H new ATOM 0 HD13 LEU A 55 -12.677 5.372 -26.414 1.00 11.02 H new ATOM 0 HD21 LEU A 55 -10.723 4.523 -28.640 1.00 65.40 H new ATOM 0 HD22 LEU A 55 -11.931 3.451 -27.893 1.00 65.40 H new ATOM 0 HD23 LEU A 55 -11.894 3.655 -29.661 1.00 65.40 H new ATOM 820 N GLY A 56 -16.967 4.566 -30.736 1.00 0.23 N ATOM 821 CA GLY A 56 -18.431 4.514 -30.765 1.00 52.41 C ATOM 822 C GLY A 56 -19.124 5.380 -29.733 1.00 51.22 C ATOM 823 O GLY A 56 -20.300 5.172 -29.455 1.00 54.32 O ATOM 0 H GLY A 56 -16.546 5.063 -31.521 1.00 0.23 H new ATOM 0 HA2 GLY A 56 -18.770 4.815 -31.756 1.00 52.41 H new ATOM 0 HA3 GLY A 56 -18.746 3.480 -30.620 1.00 52.41 H new ATOM 827 N VAL A 57 -18.408 6.327 -29.152 1.00 64.43 N ATOM 828 CA VAL A 57 -18.946 7.173 -28.075 1.00 31.43 C ATOM 829 C VAL A 57 -18.476 8.608 -28.219 1.00 61.33 C ATOM 830 O VAL A 57 -17.460 8.884 -28.848 1.00 71.51 O ATOM 831 CB VAL A 57 -18.548 6.678 -26.639 1.00 64.33 C ATOM 832 CG1 VAL A 57 -19.187 5.309 -26.356 1.00 42.44 C ATOM 833 CG2 VAL A 57 -17.009 6.569 -26.470 1.00 15.53 C ATOM 0 H VAL A 57 -17.442 6.539 -29.404 1.00 64.43 H new ATOM 0 HA VAL A 57 -20.029 7.108 -28.177 1.00 31.43 H new ATOM 0 HB VAL A 57 -18.917 7.417 -25.928 1.00 64.33 H new ATOM 0 HG11 VAL A 57 -18.905 4.975 -25.358 1.00 42.44 H new ATOM 0 HG12 VAL A 57 -20.272 5.394 -26.417 1.00 42.44 H new ATOM 0 HG13 VAL A 57 -18.838 4.585 -27.093 1.00 42.44 H new ATOM 0 HG21 VAL A 57 -16.777 6.223 -25.463 1.00 15.53 H new ATOM 0 HG22 VAL A 57 -16.612 5.860 -27.197 1.00 15.53 H new ATOM 0 HG23 VAL A 57 -16.555 7.547 -26.632 1.00 15.53 H new ATOM 843 N ASP A 58 -19.214 9.531 -27.641 1.00 15.42 N ATOM 844 CA ASP A 58 -18.880 10.950 -27.674 1.00 22.05 C ATOM 845 C ASP A 58 -18.037 11.301 -26.455 1.00 23.13 C ATOM 846 O ASP A 58 -18.530 11.329 -25.321 1.00 23.32 O ATOM 847 CB ASP A 58 -20.152 11.800 -27.705 1.00 65.55 C ATOM 848 CG ASP A 58 -21.415 10.951 -27.613 1.00 53.35 C ATOM 849 OD1 ASP A 58 -21.859 10.629 -26.493 1.00 62.44 O ATOM 850 OD2 ASP A 58 -21.937 10.566 -28.679 1.00 74.11 O ATOM 0 H ASP A 58 -20.071 9.322 -27.129 1.00 15.42 H new ATOM 0 HA ASP A 58 -18.309 11.161 -28.578 1.00 22.05 H new ATOM 0 HB2 ASP A 58 -20.133 12.510 -26.878 1.00 65.55 H new ATOM 0 HB3 ASP A 58 -20.175 12.383 -28.626 1.00 65.55 H new ATOM 855 N LEU A 59 -16.759 11.571 -26.678 1.00 60.40 N ATOM 856 CA LEU A 59 -15.863 11.969 -25.591 1.00 44.12 C ATOM 857 C LEU A 59 -16.319 13.333 -25.043 1.00 34.31 C ATOM 858 O LEU A 59 -16.321 14.324 -25.765 1.00 63.44 O ATOM 859 CB LEU A 59 -14.412 12.050 -26.116 1.00 52.24 C ATOM 860 CG LEU A 59 -13.220 12.401 -25.177 1.00 33.50 C ATOM 861 CD1 LEU A 59 -12.877 13.885 -25.257 1.00 2.24 C ATOM 862 CD2 LEU A 59 -13.415 12.019 -23.715 1.00 61.11 C ATOM 0 H LEU A 59 -16.316 11.523 -27.596 1.00 60.40 H new ATOM 0 HA LEU A 59 -15.897 11.232 -24.788 1.00 44.12 H new ATOM 0 HB2 LEU A 59 -14.185 11.084 -26.567 1.00 52.24 H new ATOM 0 HB3 LEU A 59 -14.408 12.786 -26.920 1.00 52.24 H new ATOM 0 HG LEU A 59 -12.398 11.790 -25.551 1.00 33.50 H new ATOM 0 HD11 LEU A 59 -12.041 14.102 -24.591 1.00 2.24 H new ATOM 0 HD12 LEU A 59 -12.601 14.140 -26.280 1.00 2.24 H new ATOM 0 HD13 LEU A 59 -13.743 14.475 -24.957 1.00 2.24 H new ATOM 0 HD21 LEU A 59 -12.532 12.304 -23.144 1.00 61.11 H new ATOM 0 HD22 LEU A 59 -14.288 12.537 -23.317 1.00 61.11 H new ATOM 0 HD23 LEU A 59 -13.566 10.942 -23.637 1.00 61.11 H new ATOM 874 N PRO A 60 -16.670 13.439 -23.746 1.00 72.24 N ATOM 875 CA PRO A 60 -17.001 14.733 -23.177 1.00 25.33 C ATOM 876 C PRO A 60 -15.880 15.683 -23.249 1.00 65.12 C ATOM 877 O PRO A 60 -14.849 15.404 -22.703 1.00 2.21 O ATOM 878 CB PRO A 60 -17.326 14.394 -21.695 1.00 1.22 C ATOM 879 CG PRO A 60 -16.920 13.047 -21.452 1.00 45.40 C ATOM 880 CD PRO A 60 -16.729 12.324 -22.768 1.00 11.32 C ATOM 0 HA PRO A 60 -17.817 15.218 -23.713 1.00 25.33 H new ATOM 0 HB2 PRO A 60 -16.804 15.076 -21.024 1.00 1.22 H new ATOM 0 HB3 PRO A 60 -18.392 14.511 -21.502 1.00 1.22 H new ATOM 0 HG2 PRO A 60 -15.991 13.035 -20.882 1.00 45.40 H new ATOM 0 HG3 PRO A 60 -17.670 12.534 -20.850 1.00 45.40 H new ATOM 0 HD2 PRO A 60 -15.815 11.730 -22.775 1.00 11.32 H new ATOM 0 HD3 PRO A 60 -17.553 11.643 -22.979 1.00 11.32 H new ATOM 888 N ILE A 61 -16.098 16.859 -23.827 1.00 11.24 N ATOM 889 CA ILE A 61 -15.022 17.865 -23.890 1.00 34.12 C ATOM 890 C ILE A 61 -14.507 18.306 -22.495 1.00 43.11 C ATOM 891 O ILE A 61 -13.381 18.749 -22.330 1.00 60.42 O ATOM 892 CB ILE A 61 -15.470 19.103 -24.742 1.00 24.43 C ATOM 893 CG1 ILE A 61 -14.250 19.890 -25.240 1.00 51.11 C ATOM 894 CG2 ILE A 61 -16.458 20.011 -23.960 1.00 50.32 C ATOM 895 CD1 ILE A 61 -14.566 20.879 -26.387 1.00 32.21 C ATOM 0 H ILE A 61 -16.981 17.143 -24.251 1.00 11.24 H new ATOM 0 HA ILE A 61 -14.178 17.382 -24.382 1.00 34.12 H new ATOM 0 HB ILE A 61 -16.007 18.731 -25.615 1.00 24.43 H new ATOM 0 HG12 ILE A 61 -13.821 20.443 -24.404 1.00 51.11 H new ATOM 0 HG13 ILE A 61 -13.490 19.186 -25.580 1.00 51.11 H new ATOM 0 HG21 ILE A 61 -16.745 20.858 -24.583 1.00 50.32 H new ATOM 0 HG22 ILE A 61 -17.346 19.438 -23.694 1.00 50.32 H new ATOM 0 HG23 ILE A 61 -15.977 20.375 -23.052 1.00 50.32 H new ATOM 0 HD11 ILE A 61 -13.653 21.396 -26.683 1.00 32.21 H new ATOM 0 HD12 ILE A 61 -14.966 20.331 -27.240 1.00 32.21 H new ATOM 0 HD13 ILE A 61 -15.302 21.608 -26.047 1.00 32.21 H new ATOM 907 N ARG A 62 -15.339 18.096 -21.490 1.00 2.23 N ATOM 908 CA ARG A 62 -14.958 18.393 -20.108 1.00 55.34 C ATOM 909 C ARG A 62 -13.772 17.575 -19.669 1.00 34.22 C ATOM 910 O ARG A 62 -12.880 18.039 -18.951 1.00 1.24 O ATOM 911 CB ARG A 62 -16.159 18.167 -19.153 1.00 2.23 C ATOM 912 CG ARG A 62 -17.289 19.156 -19.361 1.00 32.24 C ATOM 913 CD ARG A 62 -18.316 19.012 -18.244 1.00 51.43 C ATOM 914 NE ARG A 62 -19.522 19.846 -18.457 1.00 31.55 N ATOM 915 CZ ARG A 62 -20.507 20.025 -17.572 1.00 31.31 C ATOM 916 NH1 ARG A 62 -20.494 19.482 -16.379 1.00 64.13 N ATOM 917 NH2 ARG A 62 -21.534 20.772 -17.892 1.00 65.03 N ATOM 0 H ARG A 62 -16.282 17.722 -21.598 1.00 2.23 H new ATOM 0 HA ARG A 62 -14.667 19.443 -20.065 1.00 55.34 H new ATOM 0 HB2 ARG A 62 -16.541 17.156 -19.294 1.00 2.23 H new ATOM 0 HB3 ARG A 62 -15.812 18.235 -18.122 1.00 2.23 H new ATOM 0 HG2 ARG A 62 -16.896 20.173 -19.377 1.00 32.24 H new ATOM 0 HG3 ARG A 62 -17.763 18.982 -20.327 1.00 32.24 H new ATOM 0 HD2 ARG A 62 -18.613 17.966 -18.164 1.00 51.43 H new ATOM 0 HD3 ARG A 62 -17.854 19.286 -17.295 1.00 51.43 H new ATOM 0 HE ARG A 62 -19.607 20.323 -19.354 1.00 31.55 H new ATOM 0 HH11 ARG A 62 -19.710 18.895 -16.094 1.00 64.13 H new ATOM 0 HH12 ARG A 62 -21.268 19.646 -15.736 1.00 64.13 H new ATOM 0 HH21 ARG A 62 -21.578 21.212 -18.811 1.00 65.03 H new ATOM 0 HH22 ARG A 62 -22.290 20.914 -17.222 1.00 65.03 H new ATOM 931 N GLN A 63 -13.766 16.367 -20.158 1.00 45.25 N ATOM 932 CA GLN A 63 -12.798 15.429 -19.802 1.00 72.43 C ATOM 933 C GLN A 63 -11.428 15.745 -20.508 1.00 53.24 C ATOM 934 O GLN A 63 -10.359 15.776 -19.873 1.00 61.40 O ATOM 935 CB GLN A 63 -13.181 13.990 -20.201 1.00 65.34 C ATOM 936 CG GLN A 63 -13.541 13.196 -18.977 1.00 74.22 C ATOM 937 CD GLN A 63 -14.550 13.753 -18.031 1.00 15.30 C ATOM 938 OE1 GLN A 63 -15.609 14.243 -18.557 1.00 55.34 O flip ATOM 939 NE2 GLN A 63 -14.359 13.777 -16.805 1.00 12.40 N flip ATOM 0 H GLN A 63 -14.456 16.023 -20.826 1.00 45.25 H new ATOM 0 HA GLN A 63 -12.717 15.496 -18.717 1.00 72.43 H new ATOM 0 HB2 GLN A 63 -14.022 14.008 -20.894 1.00 65.34 H new ATOM 0 HB3 GLN A 63 -12.350 13.515 -20.721 1.00 65.34 H new ATOM 0 HG2 GLN A 63 -13.902 12.223 -19.309 1.00 74.22 H new ATOM 0 HG3 GLN A 63 -12.623 13.021 -18.415 1.00 74.22 H new ATOM 0 HE21 GLN A 63 -13.505 13.379 -16.414 1.00 12.40 H new ATOM 0 HE22 GLN A 63 -15.056 14.195 -16.188 1.00 12.40 H new ATOM 948 N LEU A 64 -11.515 16.216 -21.764 1.00 41.33 N ATOM 949 CA LEU A 64 -10.360 16.713 -22.523 1.00 13.41 C ATOM 950 C LEU A 64 -9.736 17.974 -21.893 1.00 10.13 C ATOM 951 O LEU A 64 -8.528 18.101 -21.809 1.00 33.54 O ATOM 952 CB LEU A 64 -10.794 17.016 -23.948 1.00 2.21 C ATOM 953 CG LEU A 64 -9.658 17.193 -24.962 1.00 31.23 C ATOM 954 CD1 LEU A 64 -8.871 15.861 -25.162 1.00 71.10 C ATOM 955 CD2 LEU A 64 -10.254 17.705 -26.276 1.00 22.22 C ATOM 0 H LEU A 64 -12.393 16.262 -22.281 1.00 41.33 H new ATOM 0 HA LEU A 64 -9.596 15.936 -22.509 1.00 13.41 H new ATOM 0 HB2 LEU A 64 -11.441 16.209 -24.291 1.00 2.21 H new ATOM 0 HB3 LEU A 64 -11.395 17.925 -23.940 1.00 2.21 H new ATOM 0 HG LEU A 64 -8.939 17.922 -24.589 1.00 31.23 H new ATOM 0 HD11 LEU A 64 -8.071 16.016 -25.886 1.00 71.10 H new ATOM 0 HD12 LEU A 64 -8.443 15.545 -24.211 1.00 71.10 H new ATOM 0 HD13 LEU A 64 -9.548 15.090 -25.529 1.00 71.10 H new ATOM 0 HD21 LEU A 64 -9.459 17.837 -27.009 1.00 22.22 H new ATOM 0 HD22 LEU A 64 -10.979 16.983 -26.652 1.00 22.22 H new ATOM 0 HD23 LEU A 64 -10.750 18.660 -26.103 1.00 22.22 H new ATOM 967 N PHE A 65 -10.564 18.903 -21.445 1.00 44.41 N ATOM 968 CA PHE A 65 -10.061 20.115 -20.818 1.00 20.55 C ATOM 969 C PHE A 65 -9.454 19.836 -19.434 1.00 41.34 C ATOM 970 O PHE A 65 -8.522 20.515 -19.025 1.00 0.52 O ATOM 971 CB PHE A 65 -11.180 21.154 -20.695 1.00 62.34 C ATOM 972 CG PHE A 65 -11.624 21.759 -22.026 1.00 74.01 C ATOM 973 CD1 PHE A 65 -10.899 21.573 -23.230 1.00 42.44 C ATOM 974 CD2 PHE A 65 -12.784 22.562 -22.058 1.00 13.33 C ATOM 975 CE1 PHE A 65 -11.323 22.194 -24.432 1.00 20.32 C ATOM 976 CE2 PHE A 65 -13.218 23.185 -23.262 1.00 31.11 C ATOM 977 CZ PHE A 65 -12.476 22.995 -24.444 1.00 53.30 C ATOM 0 H PHE A 65 -11.581 18.843 -21.503 1.00 44.41 H new ATOM 0 HA PHE A 65 -9.269 20.506 -21.457 1.00 20.55 H new ATOM 0 HB2 PHE A 65 -12.041 20.689 -20.215 1.00 62.34 H new ATOM 0 HB3 PHE A 65 -10.844 21.957 -20.038 1.00 62.34 H new ATOM 0 HD1 PHE A 65 -10.015 20.952 -23.232 1.00 42.44 H new ATOM 0 HD2 PHE A 65 -13.353 22.707 -21.152 1.00 13.33 H new ATOM 0 HE1 PHE A 65 -10.757 22.050 -25.341 1.00 20.32 H new ATOM 0 HE2 PHE A 65 -14.108 23.797 -23.269 1.00 31.11 H new ATOM 0 HZ PHE A 65 -12.795 23.467 -25.362 1.00 53.30 H new ATOM 987 N SER A 66 -9.983 18.841 -18.732 1.00 2.50 N ATOM 988 CA SER A 66 -9.461 18.487 -17.408 1.00 54.41 C ATOM 989 C SER A 66 -8.129 17.761 -17.527 1.00 1.24 C ATOM 990 O SER A 66 -7.324 17.756 -16.599 1.00 43.30 O ATOM 991 CB SER A 66 -10.455 17.582 -16.676 1.00 31.01 C ATOM 992 OG SER A 66 -11.727 18.208 -16.564 1.00 4.11 O ATOM 0 H SER A 66 -10.765 18.268 -19.049 1.00 2.50 H new ATOM 0 HA SER A 66 -9.316 19.410 -16.847 1.00 54.41 H new ATOM 0 HB2 SER A 66 -10.556 16.638 -17.212 1.00 31.01 H new ATOM 0 HB3 SER A 66 -10.073 17.345 -15.683 1.00 31.01 H new ATOM 0 HG SER A 66 -12.274 17.979 -17.344 1.00 4.11 H new ATOM 998 N SER A 67 -7.912 17.097 -18.655 1.00 24.22 N ATOM 999 CA SER A 67 -6.689 16.332 -18.895 1.00 25.11 C ATOM 1000 C SER A 67 -6.372 16.345 -20.395 1.00 53.25 C ATOM 1001 O SER A 67 -6.863 15.508 -21.132 1.00 21.51 O ATOM 1002 CB SER A 67 -6.878 14.893 -18.419 1.00 43.15 C ATOM 1003 OG SER A 67 -7.180 14.870 -17.036 1.00 5.14 O ATOM 0 H SER A 67 -8.575 17.072 -19.429 1.00 24.22 H new ATOM 0 HA SER A 67 -5.863 16.782 -18.344 1.00 25.11 H new ATOM 0 HB2 SER A 67 -7.682 14.419 -18.982 1.00 43.15 H new ATOM 0 HB3 SER A 67 -5.972 14.317 -18.610 1.00 43.15 H new ATOM 0 HG SER A 67 -7.301 13.943 -16.743 1.00 5.14 H new ATOM 1009 N PRO A 68 -5.578 17.325 -20.865 1.00 15.42 N ATOM 1010 CA PRO A 68 -5.344 17.441 -22.311 1.00 5.24 C ATOM 1011 C PRO A 68 -4.356 16.461 -22.926 1.00 60.04 C ATOM 1012 O PRO A 68 -4.083 16.551 -24.108 1.00 40.43 O ATOM 1013 CB PRO A 68 -4.816 18.874 -22.432 1.00 14.30 C ATOM 1014 CG PRO A 68 -4.057 19.071 -21.183 1.00 1.50 C ATOM 1015 CD PRO A 68 -4.917 18.419 -20.130 1.00 72.23 C ATOM 0 HA PRO A 68 -6.257 17.209 -22.859 1.00 5.24 H new ATOM 0 HB2 PRO A 68 -4.181 18.995 -23.310 1.00 14.30 H new ATOM 0 HB3 PRO A 68 -5.629 19.594 -22.525 1.00 14.30 H new ATOM 0 HG2 PRO A 68 -3.072 18.608 -21.237 1.00 1.50 H new ATOM 0 HG3 PRO A 68 -3.901 20.129 -20.973 1.00 1.50 H new ATOM 0 HD2 PRO A 68 -4.320 18.043 -19.299 1.00 72.23 H new ATOM 0 HD3 PRO A 68 -5.641 19.118 -19.712 1.00 72.23 H new ATOM 1023 N THR A 69 -3.796 15.561 -22.127 1.00 31.12 N ATOM 1024 CA THR A 69 -2.843 14.579 -22.646 1.00 31.01 C ATOM 1025 C THR A 69 -3.597 13.305 -23.020 1.00 32.43 C ATOM 1026 O THR A 69 -4.672 13.047 -22.468 1.00 51.10 O ATOM 1027 CB THR A 69 -1.782 14.241 -21.575 1.00 32.21 C ATOM 1028 OG1 THR A 69 -2.420 13.745 -20.398 1.00 0.13 O ATOM 1029 CG2 THR A 69 -1.015 15.488 -21.175 1.00 33.32 C ATOM 0 H THR A 69 -3.981 15.488 -21.127 1.00 31.12 H new ATOM 0 HA THR A 69 -2.344 14.995 -23.521 1.00 31.01 H new ATOM 0 HB THR A 69 -1.108 13.497 -21.999 1.00 32.21 H new ATOM 0 HG1 THR A 69 -1.742 13.531 -19.724 1.00 0.13 H new ATOM 0 HG21 THR A 69 -0.272 15.232 -20.420 1.00 33.32 H new ATOM 0 HG22 THR A 69 -0.515 15.904 -22.050 1.00 33.32 H new ATOM 0 HG23 THR A 69 -1.707 16.226 -20.768 1.00 33.32 H new ATOM 1037 N PRO A 70 -3.071 12.502 -23.963 1.00 5.12 N ATOM 1038 CA PRO A 70 -3.869 11.324 -24.317 1.00 44.14 C ATOM 1039 C PRO A 70 -3.980 10.285 -23.193 1.00 41.33 C ATOM 1040 O PRO A 70 -5.034 9.665 -23.019 1.00 53.02 O ATOM 1041 CB PRO A 70 -3.121 10.771 -25.552 1.00 35.44 C ATOM 1042 CG PRO A 70 -1.748 11.169 -25.337 1.00 70.34 C ATOM 1043 CD PRO A 70 -1.836 12.566 -24.769 1.00 63.41 C ATOM 0 HA PRO A 70 -4.912 11.576 -24.508 1.00 44.14 H new ATOM 0 HB2 PRO A 70 -3.216 9.688 -25.624 1.00 35.44 H new ATOM 0 HB3 PRO A 70 -3.517 11.188 -26.478 1.00 35.44 H new ATOM 0 HG2 PRO A 70 -1.243 10.493 -24.647 1.00 70.34 H new ATOM 0 HG3 PRO A 70 -1.182 11.155 -26.268 1.00 70.34 H new ATOM 0 HD2 PRO A 70 -0.966 12.813 -24.161 1.00 63.41 H new ATOM 0 HD3 PRO A 70 -1.901 13.320 -25.553 1.00 63.41 H new ATOM 1051 N ALA A 71 -2.947 10.141 -22.376 1.00 23.01 N ATOM 1052 CA ALA A 71 -3.026 9.224 -21.250 1.00 35.14 C ATOM 1053 C ALA A 71 -3.907 9.822 -20.153 1.00 20.21 C ATOM 1054 O ALA A 71 -4.599 9.103 -19.416 1.00 63.33 O ATOM 1055 CB ALA A 71 -1.612 8.954 -20.708 1.00 71.31 C ATOM 0 H ALA A 71 -2.061 10.637 -22.468 1.00 23.01 H new ATOM 0 HA ALA A 71 -3.468 8.283 -21.579 1.00 35.14 H new ATOM 0 HB1 ALA A 71 -1.671 8.267 -19.864 1.00 71.31 H new ATOM 0 HB2 ALA A 71 -0.999 8.512 -21.494 1.00 71.31 H new ATOM 0 HB3 ALA A 71 -1.162 9.892 -20.382 1.00 71.31 H new ATOM 1061 N GLY A 72 -3.874 11.140 -20.036 1.00 41.24 N ATOM 1062 CA GLY A 72 -4.638 11.829 -19.018 1.00 21.54 C ATOM 1063 C GLY A 72 -6.115 11.713 -19.292 1.00 62.03 C ATOM 1064 O GLY A 72 -6.887 11.368 -18.398 1.00 40.34 O ATOM 0 H GLY A 72 -3.323 11.752 -20.638 1.00 41.24 H new ATOM 0 HA2 GLY A 72 -4.411 11.409 -18.038 1.00 21.54 H new ATOM 0 HA3 GLY A 72 -4.350 12.880 -18.989 1.00 21.54 H new ATOM 1068 N VAL A 73 -6.521 11.979 -20.528 1.00 24.45 N ATOM 1069 CA VAL A 73 -7.914 11.943 -20.839 1.00 54.32 C ATOM 1070 C VAL A 73 -8.440 10.503 -20.764 1.00 42.44 C ATOM 1071 O VAL A 73 -9.619 10.284 -20.427 1.00 3.24 O ATOM 1072 CB VAL A 73 -8.164 12.564 -22.276 1.00 34.30 C ATOM 1073 CG1 VAL A 73 -7.759 11.674 -23.429 1.00 42.32 C ATOM 1074 CG2 VAL A 73 -9.636 13.011 -22.420 1.00 61.44 C ATOM 0 H VAL A 73 -5.906 12.216 -21.307 1.00 24.45 H new ATOM 0 HA VAL A 73 -8.458 12.540 -20.107 1.00 54.32 H new ATOM 0 HB VAL A 73 -7.504 13.429 -22.339 1.00 34.30 H new ATOM 0 HG11 VAL A 73 -7.967 12.182 -24.371 1.00 42.32 H new ATOM 0 HG12 VAL A 73 -6.693 11.455 -23.362 1.00 42.32 H new ATOM 0 HG13 VAL A 73 -8.324 10.743 -23.386 1.00 42.32 H new ATOM 0 HG21 VAL A 73 -9.792 13.435 -23.412 1.00 61.44 H new ATOM 0 HG22 VAL A 73 -10.292 12.151 -22.286 1.00 61.44 H new ATOM 0 HG23 VAL A 73 -9.864 13.763 -21.664 1.00 61.44 H new ATOM 1084 N ALA A 74 -7.572 9.515 -20.999 1.00 11.34 N ATOM 1085 CA ALA A 74 -7.982 8.114 -20.939 1.00 43.31 C ATOM 1086 C ALA A 74 -8.350 7.734 -19.529 1.00 0.33 C ATOM 1087 O ALA A 74 -9.395 7.143 -19.270 1.00 42.43 O ATOM 1088 CB ALA A 74 -6.843 7.204 -21.472 1.00 43.33 C ATOM 0 H ALA A 74 -6.589 9.660 -21.231 1.00 11.34 H new ATOM 0 HA ALA A 74 -8.861 7.977 -21.569 1.00 43.31 H new ATOM 0 HB1 ALA A 74 -7.157 6.161 -21.424 1.00 43.33 H new ATOM 0 HB2 ALA A 74 -6.620 7.468 -22.506 1.00 43.33 H new ATOM 0 HB3 ALA A 74 -5.951 7.343 -20.861 1.00 43.33 H new ATOM 1094 N ARG A 75 -7.511 8.068 -18.585 1.00 1.32 N ATOM 1095 CA ARG A 75 -7.777 7.733 -17.198 1.00 43.33 C ATOM 1096 C ARG A 75 -8.946 8.598 -16.651 1.00 24.32 C ATOM 1097 O ARG A 75 -9.706 8.133 -15.806 1.00 5.21 O ATOM 1098 CB ARG A 75 -6.563 7.847 -16.339 1.00 65.30 C ATOM 1099 CG ARG A 75 -5.960 9.219 -16.303 1.00 21.34 C ATOM 1100 CD ARG A 75 -4.691 9.241 -15.425 1.00 65.44 C ATOM 1101 NE ARG A 75 -5.058 8.925 -14.021 1.00 32.54 N ATOM 1102 CZ ARG A 75 -5.446 9.802 -13.087 1.00 42.14 C ATOM 1103 NH1 ARG A 75 -5.620 11.048 -13.342 1.00 43.33 N ATOM 1104 NH2 ARG A 75 -5.659 9.405 -11.834 1.00 13.13 N ATOM 0 H ARG A 75 -6.638 8.571 -18.743 1.00 1.32 H new ATOM 0 HA ARG A 75 -8.074 6.685 -17.165 1.00 43.33 H new ATOM 0 HB2 ARG A 75 -6.822 7.550 -15.323 1.00 65.30 H new ATOM 0 HB3 ARG A 75 -5.812 7.142 -16.696 1.00 65.30 H new ATOM 0 HG2 ARG A 75 -5.712 9.538 -17.315 1.00 21.34 H new ATOM 0 HG3 ARG A 75 -6.688 9.930 -15.914 1.00 21.34 H new ATOM 0 HD2 ARG A 75 -3.966 8.516 -15.795 1.00 65.44 H new ATOM 0 HD3 ARG A 75 -4.216 10.221 -15.477 1.00 65.44 H new ATOM 0 HE ARG A 75 -5.010 7.945 -13.741 1.00 32.54 H new ATOM 0 HH11 ARG A 75 -5.462 11.402 -14.285 1.00 43.33 H new ATOM 0 HH12 ARG A 75 -5.916 11.684 -12.601 1.00 43.33 H new ATOM 0 HH21 ARG A 75 -5.527 8.426 -11.580 1.00 13.13 H new ATOM 0 HH22 ARG A 75 -5.954 10.080 -11.128 1.00 13.13 H new ATOM 1118 N ALA A 76 -9.056 9.825 -17.122 1.00 4.52 N ATOM 1119 CA ALA A 76 -10.135 10.728 -16.716 1.00 62.11 C ATOM 1120 C ALA A 76 -11.509 10.226 -17.166 1.00 42.43 C ATOM 1121 O ALA A 76 -12.462 10.259 -16.399 1.00 10.35 O ATOM 1122 CB ALA A 76 -9.862 12.136 -17.254 1.00 63.45 C ATOM 0 H ALA A 76 -8.406 10.231 -17.795 1.00 4.52 H new ATOM 0 HA ALA A 76 -10.155 10.758 -15.627 1.00 62.11 H new ATOM 0 HB1 ALA A 76 -10.667 12.804 -16.949 1.00 63.45 H new ATOM 0 HB2 ALA A 76 -8.916 12.501 -16.854 1.00 63.45 H new ATOM 0 HB3 ALA A 76 -9.808 12.106 -18.342 1.00 63.45 H new ATOM 1128 N LEU A 77 -11.611 9.761 -18.401 1.00 61.22 N ATOM 1129 CA LEU A 77 -12.889 9.275 -18.900 1.00 2.20 C ATOM 1130 C LEU A 77 -13.195 7.895 -18.319 1.00 61.35 C ATOM 1131 O LEU A 77 -14.340 7.593 -18.024 1.00 43.31 O ATOM 1132 CB LEU A 77 -12.937 9.303 -20.448 1.00 65.23 C ATOM 1133 CG LEU A 77 -12.052 8.300 -21.218 1.00 31.44 C ATOM 1134 CD1 LEU A 77 -12.757 6.940 -21.477 1.00 55.34 C ATOM 1135 CD2 LEU A 77 -11.624 8.883 -22.545 1.00 53.42 C ATOM 0 H LEU A 77 -10.840 9.710 -19.067 1.00 61.22 H new ATOM 0 HA LEU A 77 -13.678 9.947 -18.563 1.00 2.20 H new ATOM 0 HB2 LEU A 77 -13.971 9.139 -20.753 1.00 65.23 H new ATOM 0 HB3 LEU A 77 -12.664 10.307 -20.773 1.00 65.23 H new ATOM 0 HG LEU A 77 -11.186 8.114 -20.583 1.00 31.44 H new ATOM 0 HD11 LEU A 77 -12.083 6.279 -22.022 1.00 55.34 H new ATOM 0 HD12 LEU A 77 -13.024 6.481 -20.525 1.00 55.34 H new ATOM 0 HD13 LEU A 77 -13.659 7.104 -22.066 1.00 55.34 H new ATOM 0 HD21 LEU A 77 -11.001 8.163 -23.075 1.00 53.42 H new ATOM 0 HD22 LEU A 77 -12.506 9.110 -23.144 1.00 53.42 H new ATOM 0 HD23 LEU A 77 -11.056 9.798 -22.374 1.00 53.42 H new