USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=8 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 21:sc= 0.474 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 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.14) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 66 SER OG : rot 74:sc= 1.27 USER MOD Single : A 67 SER OG : rot 50:sc= 0.466 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0126 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.293 1.314 -25.861 1.00 2.20 N ATOM 128 CA THR A 11 -7.871 2.654 -26.000 1.00 32.21 C ATOM 129 C THR A 11 -6.793 3.714 -26.219 1.00 32.40 C ATOM 130 O THR A 11 -6.976 4.635 -26.998 1.00 50.21 O ATOM 131 CB THR A 11 -8.686 3.006 -24.729 1.00 24.20 C ATOM 132 OG1 THR A 11 -9.432 1.856 -24.337 1.00 22.10 O ATOM 133 CG2 THR A 11 -9.661 4.139 -24.973 1.00 0.11 C ATOM 0 HA THR A 11 -8.522 2.646 -26.874 1.00 32.21 H new ATOM 0 HB THR A 11 -7.984 3.319 -23.956 1.00 24.20 H new ATOM 0 HG1 THR A 11 -9.023 1.053 -24.723 1.00 22.10 H new ATOM 0 HG21 THR A 11 -10.210 4.351 -24.055 1.00 0.11 H new ATOM 0 HG22 THR A 11 -9.114 5.030 -25.283 1.00 0.11 H new ATOM 0 HG23 THR A 11 -10.362 3.853 -25.757 1.00 0.11 H new ATOM 141 N GLU A 12 -5.652 3.573 -25.555 1.00 74.03 N ATOM 142 CA GLU A 12 -4.575 4.553 -25.702 1.00 63.05 C ATOM 143 C GLU A 12 -4.031 4.571 -27.131 1.00 63.00 C ATOM 144 O GLU A 12 -3.716 5.627 -27.665 1.00 54.52 O ATOM 145 CB GLU A 12 -3.444 4.256 -24.712 1.00 11.25 C ATOM 146 CG GLU A 12 -3.863 4.456 -23.275 1.00 32.44 C ATOM 147 CD GLU A 12 -2.859 3.874 -22.282 1.00 3.34 C ATOM 148 OE1 GLU A 12 -1.773 4.464 -22.087 1.00 64.31 O ATOM 149 OE2 GLU A 12 -3.183 2.846 -21.656 1.00 14.01 O ATOM 0 H GLU A 12 -5.447 2.803 -24.918 1.00 74.03 H new ATOM 0 HA GLU A 12 -4.989 5.538 -25.485 1.00 63.05 H new ATOM 0 HB2 GLU A 12 -3.107 3.228 -24.849 1.00 11.25 H new ATOM 0 HB3 GLU A 12 -2.594 4.902 -24.932 1.00 11.25 H new ATOM 0 HG2 GLU A 12 -3.984 5.522 -23.081 1.00 32.44 H new ATOM 0 HG3 GLU A 12 -4.836 3.991 -23.116 1.00 32.44 H new ATOM 156 N LYS A 13 -3.988 3.402 -27.759 1.00 72.52 N ATOM 157 CA LYS A 13 -3.516 3.268 -29.145 1.00 42.11 C ATOM 158 C LYS A 13 -4.390 4.063 -30.092 1.00 70.22 C ATOM 159 O LYS A 13 -3.910 4.726 -31.002 1.00 55.33 O ATOM 160 CB LYS A 13 -3.554 1.805 -29.596 1.00 5.11 C ATOM 161 CG LYS A 13 -2.676 0.858 -28.780 1.00 70.15 C ATOM 162 CD LYS A 13 -1.220 1.129 -29.060 1.00 2.15 C ATOM 163 CE LYS A 13 -0.345 0.068 -28.398 1.00 14.33 C ATOM 164 NZ LYS A 13 1.044 0.552 -28.312 1.00 64.53 N ATOM 0 H LYS A 13 -4.276 2.522 -27.331 1.00 72.52 H new ATOM 0 HA LYS A 13 -2.493 3.644 -29.170 1.00 42.11 H new ATOM 0 HB2 LYS A 13 -4.584 1.452 -29.550 1.00 5.11 H new ATOM 0 HB3 LYS A 13 -3.246 1.754 -30.640 1.00 5.11 H new ATOM 0 HG2 LYS A 13 -2.880 0.986 -27.717 1.00 70.15 H new ATOM 0 HG3 LYS A 13 -2.915 -0.176 -29.028 1.00 70.15 H new ATOM 0 HD2 LYS A 13 -1.045 1.135 -30.136 1.00 2.15 H new ATOM 0 HD3 LYS A 13 -0.949 2.117 -28.688 1.00 2.15 H new ATOM 0 HE2 LYS A 13 -0.723 -0.159 -27.401 1.00 14.33 H new ATOM 0 HE3 LYS A 13 -0.383 -0.858 -28.972 1.00 14.33 H new ATOM 0 HZ1 LYS A 13 1.637 -0.173 -27.861 1.00 64.53 H new ATOM 0 HZ2 LYS A 13 1.403 0.747 -29.268 1.00 64.53 H new ATOM 0 HZ3 LYS A 13 1.073 1.424 -27.746 1.00 64.53 H new ATOM 178 N VAL A 14 -5.691 3.953 -29.894 1.00 65.33 N ATOM 179 CA VAL A 14 -6.673 4.600 -30.767 1.00 24.12 C ATOM 180 C VAL A 14 -6.500 6.084 -30.603 1.00 50.21 C ATOM 181 O VAL A 14 -6.369 6.819 -31.583 1.00 12.30 O ATOM 182 CB VAL A 14 -8.115 4.176 -30.372 1.00 23.41 C ATOM 183 CG1 VAL A 14 -9.146 4.983 -31.141 1.00 31.12 C ATOM 184 CG2 VAL A 14 -8.312 2.654 -30.609 1.00 53.11 C ATOM 0 H VAL A 14 -6.102 3.417 -29.130 1.00 65.33 H new ATOM 0 HA VAL A 14 -6.519 4.305 -31.805 1.00 24.12 H new ATOM 0 HB VAL A 14 -8.257 4.380 -29.311 1.00 23.41 H new ATOM 0 HG11 VAL A 14 -10.147 4.668 -30.847 1.00 31.12 H new ATOM 0 HG12 VAL A 14 -9.019 6.042 -30.918 1.00 31.12 H new ATOM 0 HG13 VAL A 14 -9.013 4.819 -32.210 1.00 31.12 H new ATOM 0 HG21 VAL A 14 -9.326 2.370 -30.328 1.00 53.11 H new ATOM 0 HG22 VAL A 14 -8.150 2.426 -31.662 1.00 53.11 H new ATOM 0 HG23 VAL A 14 -7.598 2.096 -30.003 1.00 53.11 H new ATOM 194 N LEU A 15 -6.479 6.535 -29.361 1.00 53.22 N ATOM 195 CA LEU A 15 -6.369 7.955 -29.073 1.00 34.34 C ATOM 196 C LEU A 15 -5.058 8.533 -29.623 1.00 4.23 C ATOM 197 O LEU A 15 -5.044 9.610 -30.206 1.00 53.34 O ATOM 198 CB LEU A 15 -6.454 8.138 -27.571 1.00 24.52 C ATOM 199 CG LEU A 15 -7.851 7.848 -26.987 1.00 51.55 C ATOM 200 CD1 LEU A 15 -7.689 7.617 -25.517 1.00 23.31 C ATOM 201 CD2 LEU A 15 -8.845 8.979 -27.277 1.00 44.51 C ATOM 0 H LEU A 15 -6.537 5.939 -28.535 1.00 53.22 H new ATOM 0 HA LEU A 15 -7.181 8.494 -29.561 1.00 34.34 H new ATOM 0 HB2 LEU A 15 -5.727 7.482 -27.093 1.00 24.52 H new ATOM 0 HB3 LEU A 15 -6.172 9.161 -27.322 1.00 24.52 H new ATOM 0 HG LEU A 15 -8.272 6.962 -27.463 1.00 51.55 H new ATOM 0 HD11 LEU A 15 -8.662 7.408 -25.072 1.00 23.31 H new ATOM 0 HD12 LEU A 15 -7.026 6.768 -25.353 1.00 23.31 H new ATOM 0 HD13 LEU A 15 -7.261 8.506 -25.054 1.00 23.31 H new ATOM 0 HD21 LEU A 15 -9.815 8.730 -26.847 1.00 44.51 H new ATOM 0 HD22 LEU A 15 -8.480 9.907 -26.836 1.00 44.51 H new ATOM 0 HD23 LEU A 15 -8.948 9.105 -28.355 1.00 44.51 H new ATOM 213 N CYS A 16 -3.960 7.787 -29.502 1.00 72.15 N ATOM 214 CA CYS A 16 -2.680 8.228 -30.082 1.00 53.31 C ATOM 215 C CYS A 16 -2.768 8.428 -31.608 1.00 63.24 C ATOM 216 O CYS A 16 -2.254 9.407 -32.119 1.00 74.13 O ATOM 217 CB CYS A 16 -1.578 7.208 -29.773 1.00 72.35 C ATOM 218 SG CYS A 16 -0.739 7.464 -28.185 1.00 24.53 S ATOM 0 H CYS A 16 -3.924 6.890 -29.018 1.00 72.15 H new ATOM 0 HA CYS A 16 -2.441 9.190 -29.628 1.00 53.31 H new ATOM 0 HB2 CYS A 16 -2.013 6.208 -29.783 1.00 72.35 H new ATOM 0 HB3 CYS A 16 -0.836 7.241 -30.571 1.00 72.35 H new ATOM 0 HG CYS A 16 0.170 6.549 -28.022 1.00 24.53 H new ATOM 224 N ALA A 17 -3.411 7.518 -32.325 1.00 65.03 N ATOM 225 CA ALA A 17 -3.521 7.657 -33.773 1.00 3.21 C ATOM 226 C ALA A 17 -4.451 8.803 -34.180 1.00 25.30 C ATOM 227 O ALA A 17 -4.165 9.529 -35.135 1.00 63.40 O ATOM 228 CB ALA A 17 -3.982 6.346 -34.383 1.00 65.51 C ATOM 0 H ALA A 17 -3.859 6.687 -31.938 1.00 65.03 H new ATOM 0 HA ALA A 17 -2.532 7.906 -34.157 1.00 3.21 H new ATOM 0 HB1 ALA A 17 -4.062 6.456 -35.464 1.00 65.51 H new ATOM 0 HB2 ALA A 17 -3.260 5.563 -34.151 1.00 65.51 H new ATOM 0 HB3 ALA A 17 -4.955 6.076 -33.973 1.00 65.51 H new ATOM 234 N LEU A 18 -5.535 8.989 -33.434 1.00 24.14 N ATOM 235 CA LEU A 18 -6.473 10.074 -33.711 1.00 25.11 C ATOM 236 C LEU A 18 -5.811 11.435 -33.540 1.00 12.45 C ATOM 237 O LEU A 18 -6.096 12.376 -34.278 1.00 4.12 O ATOM 238 CB LEU A 18 -7.675 10.015 -32.775 1.00 72.35 C ATOM 239 CG LEU A 18 -8.662 8.848 -33.000 1.00 64.43 C ATOM 240 CD1 LEU A 18 -9.812 8.947 -32.009 1.00 4.33 C ATOM 241 CD2 LEU A 18 -9.163 8.835 -34.437 1.00 1.20 C ATOM 0 H LEU A 18 -5.786 8.406 -32.636 1.00 24.14 H new ATOM 0 HA LEU A 18 -6.798 9.948 -34.744 1.00 25.11 H new ATOM 0 HB2 LEU A 18 -7.308 9.960 -31.750 1.00 72.35 H new ATOM 0 HB3 LEU A 18 -8.226 10.951 -32.866 1.00 72.35 H new ATOM 0 HG LEU A 18 -8.143 7.905 -32.829 1.00 64.43 H new ATOM 0 HD11 LEU A 18 -10.505 8.122 -32.172 1.00 4.33 H new ATOM 0 HD12 LEU A 18 -9.422 8.898 -30.993 1.00 4.33 H new ATOM 0 HD13 LEU A 18 -10.335 9.893 -32.151 1.00 4.33 H new ATOM 0 HD21 LEU A 18 -9.857 8.005 -34.573 1.00 1.20 H new ATOM 0 HD22 LEU A 18 -9.673 9.774 -34.653 1.00 1.20 H new ATOM 0 HD23 LEU A 18 -8.318 8.717 -35.116 1.00 1.20 H new ATOM 253 N TYR A 19 -4.899 11.532 -32.577 1.00 70.41 N ATOM 254 CA TYR A 19 -4.145 12.761 -32.375 1.00 12.04 C ATOM 255 C TYR A 19 -3.332 13.075 -33.638 1.00 21.15 C ATOM 256 O TYR A 19 -3.342 14.195 -34.125 1.00 24.33 O ATOM 257 CB TYR A 19 -3.200 12.623 -31.182 1.00 22.40 C ATOM 258 CG TYR A 19 -3.762 13.055 -29.844 1.00 51.12 C ATOM 259 CD1 TYR A 19 -5.024 12.600 -29.386 1.00 21.13 C ATOM 260 CD2 TYR A 19 -3.009 13.890 -28.990 1.00 50.45 C ATOM 261 CE1 TYR A 19 -5.519 12.970 -28.113 1.00 4.32 C ATOM 262 CE2 TYR A 19 -3.520 14.274 -27.716 1.00 21.34 C ATOM 263 CZ TYR A 19 -4.761 13.813 -27.297 1.00 11.33 C ATOM 264 OH TYR A 19 -5.216 14.184 -26.050 1.00 63.00 O ATOM 0 H TYR A 19 -4.667 10.779 -31.929 1.00 70.41 H new ATOM 0 HA TYR A 19 -4.845 13.572 -32.174 1.00 12.04 H new ATOM 0 HB2 TYR A 19 -2.891 11.580 -31.106 1.00 22.40 H new ATOM 0 HB3 TYR A 19 -2.302 13.208 -31.384 1.00 22.40 H new ATOM 0 HD1 TYR A 19 -5.619 11.959 -30.020 1.00 21.13 H new ATOM 0 HD2 TYR A 19 -2.037 14.241 -29.305 1.00 50.45 H new ATOM 0 HE1 TYR A 19 -6.477 12.603 -27.775 1.00 4.32 H new ATOM 0 HE2 TYR A 19 -2.942 14.924 -27.076 1.00 21.34 H new ATOM 0 HH TYR A 19 -4.558 14.772 -25.623 1.00 63.00 H new ATOM 274 N ALA A 20 -2.645 12.058 -34.169 1.00 35.14 N ATOM 275 CA ALA A 20 -1.761 12.241 -35.319 1.00 53.03 C ATOM 276 C ALA A 20 -2.479 12.754 -36.560 1.00 60.45 C ATOM 277 O ALA A 20 -1.971 13.605 -37.256 1.00 32.44 O ATOM 278 CB ALA A 20 -1.035 10.939 -35.643 1.00 12.42 C ATOM 0 H ALA A 20 -2.686 11.101 -33.819 1.00 35.14 H new ATOM 0 HA ALA A 20 -1.043 13.009 -35.031 1.00 53.03 H new ATOM 0 HB1 ALA A 20 -0.381 11.091 -36.501 1.00 12.42 H new ATOM 0 HB2 ALA A 20 -0.440 10.631 -34.783 1.00 12.42 H new ATOM 0 HB3 ALA A 20 -1.765 10.164 -35.876 1.00 12.42 H new ATOM 284 N GLU A 21 -3.672 12.235 -36.812 1.00 4.41 N ATOM 285 CA GLU A 21 -4.418 12.620 -38.013 1.00 45.51 C ATOM 286 C GLU A 21 -4.702 14.112 -38.017 1.00 53.32 C ATOM 287 O GLU A 21 -4.587 14.792 -39.035 1.00 54.53 O ATOM 288 CB GLU A 21 -5.777 11.926 -38.091 1.00 75.25 C ATOM 289 CG GLU A 21 -5.754 10.440 -38.360 1.00 51.32 C ATOM 290 CD GLU A 21 -7.168 9.890 -38.600 1.00 71.42 C ATOM 291 OE1 GLU A 21 -8.149 10.652 -38.440 1.00 30.32 O ATOM 292 OE2 GLU A 21 -7.281 8.722 -38.998 1.00 61.54 O ATOM 0 H GLU A 21 -4.143 11.556 -36.214 1.00 4.41 H new ATOM 0 HA GLU A 21 -3.793 12.328 -38.857 1.00 45.51 H new ATOM 0 HB2 GLU A 21 -6.302 12.096 -37.151 1.00 75.25 H new ATOM 0 HB3 GLU A 21 -6.362 12.407 -38.875 1.00 75.25 H new ATOM 0 HG2 GLU A 21 -5.131 10.236 -39.231 1.00 51.32 H new ATOM 0 HG3 GLU A 21 -5.300 9.923 -37.515 1.00 51.32 H new ATOM 299 N ILE A 22 -5.193 14.595 -36.888 1.00 44.42 N ATOM 300 CA ILE A 22 -5.729 15.950 -36.792 1.00 60.44 C ATOM 301 C ILE A 22 -4.649 16.996 -36.568 1.00 52.41 C ATOM 302 O ILE A 22 -4.708 18.083 -37.130 1.00 20.10 O ATOM 303 CB ILE A 22 -6.782 16.012 -35.648 1.00 10.12 C ATOM 304 CG1 ILE A 22 -7.908 15.026 -35.968 1.00 40.32 C ATOM 305 CG2 ILE A 22 -7.327 17.440 -35.481 1.00 65.24 C ATOM 306 CD1 ILE A 22 -8.944 14.969 -34.923 1.00 61.22 C ATOM 0 H ILE A 22 -5.233 14.067 -36.016 1.00 44.42 H new ATOM 0 HA ILE A 22 -6.198 16.184 -37.748 1.00 60.44 H new ATOM 0 HB ILE A 22 -6.314 15.735 -34.703 1.00 10.12 H new ATOM 0 HG12 ILE A 22 -8.371 15.307 -36.914 1.00 40.32 H new ATOM 0 HG13 ILE A 22 -7.483 14.031 -36.104 1.00 40.32 H new ATOM 0 HG21 ILE A 22 -8.061 17.457 -34.676 1.00 65.24 H new ATOM 0 HG22 ILE A 22 -6.507 18.116 -35.239 1.00 65.24 H new ATOM 0 HG23 ILE A 22 -7.800 17.760 -36.410 1.00 65.24 H new ATOM 0 HD11 ILE A 22 -9.712 14.252 -35.211 1.00 61.22 H new ATOM 0 HD12 ILE A 22 -8.493 14.659 -33.980 1.00 61.22 H new ATOM 0 HD13 ILE A 22 -9.394 15.954 -34.803 1.00 61.22 H new ATOM 318 N LEU A 23 -3.651 16.655 -35.765 1.00 14.34 N ATOM 319 CA LEU A 23 -2.567 17.590 -35.456 1.00 10.50 C ATOM 320 C LEU A 23 -1.529 17.612 -36.580 1.00 0.41 C ATOM 321 O LEU A 23 -0.770 18.566 -36.703 1.00 1.15 O ATOM 322 CB LEU A 23 -1.894 17.202 -34.137 1.00 74.22 C ATOM 323 CG LEU A 23 -2.817 17.333 -32.909 1.00 63.12 C ATOM 324 CD1 LEU A 23 -2.361 16.424 -31.805 1.00 75.44 C ATOM 325 CD2 LEU A 23 -2.857 18.772 -32.415 1.00 74.34 C ATOM 0 H LEU A 23 -3.565 15.744 -35.315 1.00 14.34 H new ATOM 0 HA LEU A 23 -2.996 18.587 -35.361 1.00 10.50 H new ATOM 0 HB2 LEU A 23 -1.542 16.173 -34.208 1.00 74.22 H new ATOM 0 HB3 LEU A 23 -1.015 17.830 -33.989 1.00 74.22 H new ATOM 0 HG LEU A 23 -3.822 17.040 -33.212 1.00 63.12 H new ATOM 0 HD11 LEU A 23 -3.025 16.531 -30.948 1.00 75.44 H new ATOM 0 HD12 LEU A 23 -2.381 15.391 -32.153 1.00 75.44 H new ATOM 0 HD13 LEU A 23 -1.345 16.689 -31.512 1.00 75.44 H new ATOM 0 HD21 LEU A 23 -3.514 18.841 -31.548 1.00 74.34 H new ATOM 0 HD22 LEU A 23 -1.852 19.089 -32.135 1.00 74.34 H new ATOM 0 HD23 LEU A 23 -3.233 19.419 -33.208 1.00 74.34 H new ATOM 337 N GLY A 24 -1.520 16.561 -37.395 1.00 60.21 N ATOM 338 CA GLY A 24 -0.600 16.488 -38.527 1.00 21.20 C ATOM 339 C GLY A 24 0.844 16.335 -38.104 1.00 10.02 C ATOM 340 O GLY A 24 1.753 16.789 -38.802 1.00 32.11 O ATOM 0 H GLY A 24 -2.135 15.753 -37.295 1.00 60.21 H new ATOM 0 HA2 GLY A 24 -0.879 15.646 -39.161 1.00 21.20 H new ATOM 0 HA3 GLY A 24 -0.703 17.390 -39.131 1.00 21.20 H new ATOM 344 N VAL A 25 1.061 15.704 -36.954 1.00 73.32 N ATOM 345 CA VAL A 25 2.416 15.539 -36.402 1.00 11.42 C ATOM 346 C VAL A 25 2.973 14.159 -36.741 1.00 55.34 C ATOM 347 O VAL A 25 2.230 13.214 -37.017 1.00 52.42 O ATOM 348 CB VAL A 25 2.430 15.752 -34.853 1.00 62.21 C ATOM 349 CG1 VAL A 25 2.117 17.205 -34.523 1.00 65.14 C ATOM 350 CG2 VAL A 25 1.424 14.837 -34.148 1.00 61.52 C ATOM 0 H VAL A 25 0.322 15.296 -36.381 1.00 73.32 H new ATOM 0 HA VAL A 25 3.050 16.300 -36.858 1.00 11.42 H new ATOM 0 HB VAL A 25 3.428 15.499 -34.494 1.00 62.21 H new ATOM 0 HG11 VAL A 25 2.129 17.343 -33.442 1.00 65.14 H new ATOM 0 HG12 VAL A 25 2.866 17.851 -34.980 1.00 65.14 H new ATOM 0 HG13 VAL A 25 1.131 17.462 -34.911 1.00 65.14 H new ATOM 0 HG21 VAL A 25 1.463 15.014 -33.073 1.00 61.52 H new ATOM 0 HG22 VAL A 25 0.420 15.049 -34.515 1.00 61.52 H new ATOM 0 HG23 VAL A 25 1.673 13.796 -34.354 1.00 61.52 H new ATOM 360 N GLU A 26 4.293 14.080 -36.761 1.00 3.31 N ATOM 361 CA GLU A 26 5.013 12.872 -37.188 1.00 5.01 C ATOM 362 C GLU A 26 4.730 11.677 -36.281 1.00 22.53 C ATOM 363 O GLU A 26 4.666 10.529 -36.729 1.00 14.00 O ATOM 364 CB GLU A 26 6.515 13.169 -37.169 1.00 30.20 C ATOM 365 CG GLU A 26 7.403 12.002 -37.659 1.00 2.22 C ATOM 366 CD GLU A 26 8.863 12.316 -37.486 1.00 44.55 C ATOM 367 OE1 GLU A 26 9.401 13.135 -38.265 1.00 41.43 O ATOM 368 OE2 GLU A 26 9.487 11.736 -36.573 1.00 41.34 O ATOM 0 H GLU A 26 4.905 14.848 -36.483 1.00 3.31 H new ATOM 0 HA GLU A 26 4.672 12.612 -38.190 1.00 5.01 H new ATOM 0 HB2 GLU A 26 6.708 14.043 -37.792 1.00 30.20 H new ATOM 0 HB3 GLU A 26 6.808 13.431 -36.152 1.00 30.20 H new ATOM 0 HG2 GLU A 26 7.156 11.097 -37.105 1.00 2.22 H new ATOM 0 HG3 GLU A 26 7.194 11.800 -38.710 1.00 2.22 H new ATOM 375 N ARG A 27 4.612 11.952 -34.995 1.00 54.23 N ATOM 376 CA ARG A 27 4.396 10.904 -33.998 1.00 1.30 C ATOM 377 C ARG A 27 3.675 11.496 -32.813 1.00 60.43 C ATOM 378 O ARG A 27 3.692 12.712 -32.628 1.00 41.31 O ATOM 379 CB ARG A 27 5.739 10.349 -33.550 1.00 53.20 C ATOM 380 CG ARG A 27 6.653 11.416 -32.965 1.00 33.03 C ATOM 381 CD ARG A 27 7.949 10.821 -32.486 1.00 11.22 C ATOM 382 NE ARG A 27 7.730 9.846 -31.377 1.00 61.42 N ATOM 383 CZ ARG A 27 7.497 10.164 -30.102 1.00 53.12 C ATOM 384 NH1 ARG A 27 7.444 11.401 -29.683 1.00 12.55 N ATOM 385 NH2 ARG A 27 7.305 9.217 -29.244 1.00 4.24 N ATOM 0 H ARG A 27 4.662 12.895 -34.609 1.00 54.23 H new ATOM 0 HA ARG A 27 3.799 10.100 -34.429 1.00 1.30 H new ATOM 0 HB2 ARG A 27 5.575 9.570 -32.806 1.00 53.20 H new ATOM 0 HB3 ARG A 27 6.234 9.879 -34.400 1.00 53.20 H new ATOM 0 HG2 ARG A 27 6.856 12.177 -33.718 1.00 33.03 H new ATOM 0 HG3 ARG A 27 6.150 11.914 -32.136 1.00 33.03 H new ATOM 0 HD2 ARG A 27 8.450 10.322 -33.316 1.00 11.22 H new ATOM 0 HD3 ARG A 27 8.612 11.617 -32.146 1.00 11.22 H new ATOM 0 HE ARG A 27 7.761 8.854 -31.613 1.00 61.42 H new ATOM 0 HH11 ARG A 27 7.583 12.168 -30.340 1.00 12.55 H new ATOM 0 HH12 ARG A 27 7.263 11.599 -28.699 1.00 12.55 H new ATOM 0 HH21 ARG A 27 7.333 8.243 -29.545 1.00 4.24 H new ATOM 0 HH22 ARG A 27 7.126 9.444 -28.266 1.00 4.24 H new ATOM 399 N VAL A 28 3.078 10.625 -32.007 1.00 14.41 N ATOM 400 CA VAL A 28 2.364 11.036 -30.797 1.00 22.21 C ATOM 401 C VAL A 28 2.853 10.153 -29.637 1.00 44.34 C ATOM 402 O VAL A 28 2.871 8.929 -29.763 1.00 53.45 O ATOM 403 CB VAL A 28 0.822 10.818 -30.973 1.00 33.45 C ATOM 404 CG1 VAL A 28 0.052 11.290 -29.745 1.00 51.22 C ATOM 405 CG2 VAL A 28 0.308 11.530 -32.207 1.00 31.04 C ATOM 0 H VAL A 28 3.073 9.618 -32.170 1.00 14.41 H new ATOM 0 HA VAL A 28 2.553 12.091 -30.601 1.00 22.21 H new ATOM 0 HB VAL A 28 0.660 9.747 -31.093 1.00 33.45 H new ATOM 0 HG11 VAL A 28 -1.014 11.125 -29.899 1.00 51.22 H new ATOM 0 HG12 VAL A 28 0.383 10.730 -28.870 1.00 51.22 H new ATOM 0 HG13 VAL A 28 0.236 12.353 -29.587 1.00 51.22 H new ATOM 0 HG21 VAL A 28 -0.765 11.361 -32.304 1.00 31.04 H new ATOM 0 HG22 VAL A 28 0.501 12.599 -32.117 1.00 31.04 H new ATOM 0 HG23 VAL A 28 0.817 11.143 -33.089 1.00 31.04 H new ATOM 415 N GLY A 29 3.273 10.762 -28.537 1.00 53.13 N ATOM 416 CA GLY A 29 3.614 10.005 -27.348 1.00 54.40 C ATOM 417 C GLY A 29 2.349 9.778 -26.534 1.00 25.44 C ATOM 418 O GLY A 29 1.361 10.496 -26.701 1.00 22.35 O ATOM 0 H GLY A 29 3.384 11.772 -28.446 1.00 53.13 H new ATOM 0 HA2 GLY A 29 4.062 9.050 -27.624 1.00 54.40 H new ATOM 0 HA3 GLY A 29 4.353 10.545 -26.755 1.00 54.40 H new ATOM 422 N VAL A 30 2.351 8.835 -25.595 1.00 32.34 N ATOM 423 CA VAL A 30 1.142 8.598 -24.762 1.00 45.32 C ATOM 424 C VAL A 30 0.915 9.758 -23.793 1.00 51.43 C ATOM 425 O VAL A 30 -0.200 10.040 -23.366 1.00 50.55 O ATOM 426 CB VAL A 30 1.225 7.271 -23.960 1.00 74.13 C ATOM 427 CG1 VAL A 30 0.764 6.105 -24.816 1.00 41.33 C ATOM 428 CG2 VAL A 30 2.663 7.026 -23.421 1.00 4.41 C ATOM 0 H VAL A 30 3.145 8.230 -25.384 1.00 32.34 H new ATOM 0 HA VAL A 30 0.302 8.523 -25.453 1.00 45.32 H new ATOM 0 HB VAL A 30 0.560 7.354 -23.100 1.00 74.13 H new ATOM 0 HG11 VAL A 30 0.828 5.182 -24.239 1.00 41.33 H new ATOM 0 HG12 VAL A 30 -0.268 6.267 -25.127 1.00 41.33 H new ATOM 0 HG13 VAL A 30 1.400 6.027 -25.698 1.00 41.33 H new ATOM 0 HG21 VAL A 30 2.688 6.089 -22.864 1.00 4.41 H new ATOM 0 HG22 VAL A 30 3.360 6.970 -24.257 1.00 4.41 H new ATOM 0 HG23 VAL A 30 2.950 7.847 -22.764 1.00 4.41 H new ATOM 438 N ASP A 31 2.004 10.451 -23.463 1.00 43.25 N ATOM 439 CA ASP A 31 1.967 11.567 -22.551 1.00 21.33 C ATOM 440 C ASP A 31 2.083 12.909 -23.298 1.00 21.43 C ATOM 441 O ASP A 31 2.406 13.922 -22.714 1.00 63.25 O ATOM 442 CB ASP A 31 3.130 11.451 -21.551 1.00 62.24 C ATOM 443 CG ASP A 31 3.010 10.244 -20.641 1.00 24.43 C ATOM 444 OD1 ASP A 31 1.985 10.127 -19.920 1.00 42.42 O ATOM 445 OD2 ASP A 31 3.917 9.383 -20.681 1.00 2.44 O ATOM 0 H ASP A 31 2.934 10.245 -23.828 1.00 43.25 H new ATOM 0 HA ASP A 31 1.010 11.543 -22.029 1.00 21.33 H new ATOM 0 HB2 ASP A 31 4.070 11.393 -22.100 1.00 62.24 H new ATOM 0 HB3 ASP A 31 3.171 12.355 -20.943 1.00 62.24 H new ATOM 450 N ASP A 32 1.894 12.874 -24.617 1.00 23.30 N ATOM 451 CA ASP A 32 2.107 14.075 -25.427 1.00 53.40 C ATOM 452 C ASP A 32 0.880 14.980 -25.326 1.00 54.12 C ATOM 453 O ASP A 32 -0.252 14.533 -25.540 1.00 10.42 O ATOM 454 CB ASP A 32 2.337 13.710 -26.888 1.00 2.32 C ATOM 455 CG ASP A 32 3.654 14.221 -27.418 1.00 33.23 C ATOM 456 OD1 ASP A 32 3.956 15.419 -27.220 1.00 70.53 O ATOM 457 OD2 ASP A 32 4.393 13.404 -28.034 1.00 75.21 O ATOM 0 H ASP A 32 1.601 12.048 -25.139 1.00 23.30 H new ATOM 0 HA ASP A 32 2.990 14.592 -25.051 1.00 53.40 H new ATOM 0 HB2 ASP A 32 2.303 12.626 -26.997 1.00 2.32 H new ATOM 0 HB3 ASP A 32 1.525 14.117 -27.491 1.00 2.32 H new ATOM 462 N ALA A 33 1.064 16.235 -24.958 1.00 24.54 N ATOM 463 CA ALA A 33 -0.082 17.104 -24.767 1.00 33.10 C ATOM 464 C ALA A 33 -0.614 17.610 -26.104 1.00 70.25 C ATOM 465 O ALA A 33 0.119 18.091 -26.943 1.00 23.10 O ATOM 466 CB ALA A 33 0.279 18.279 -23.853 1.00 55.13 C ATOM 0 H ALA A 33 1.972 16.667 -24.789 1.00 24.54 H new ATOM 0 HA ALA A 33 -0.870 16.522 -24.288 1.00 33.10 H new ATOM 0 HB1 ALA A 33 -0.593 18.919 -23.722 1.00 55.13 H new ATOM 0 HB2 ALA A 33 0.600 17.900 -22.883 1.00 55.13 H new ATOM 0 HB3 ALA A 33 1.088 18.855 -24.303 1.00 55.13 H new ATOM 472 N PHE A 34 -1.927 17.569 -26.240 1.00 73.04 N ATOM 473 CA PHE A 34 -2.607 18.025 -27.462 1.00 45.42 C ATOM 474 C PHE A 34 -2.211 19.457 -27.830 1.00 53.13 C ATOM 475 O PHE A 34 -2.081 19.775 -29.004 1.00 12.35 O ATOM 476 CB PHE A 34 -4.125 17.914 -27.255 1.00 60.11 C ATOM 477 CG PHE A 34 -4.939 18.282 -28.481 1.00 45.42 C ATOM 478 CD1 PHE A 34 -5.190 17.324 -29.479 1.00 64.33 C ATOM 479 CD2 PHE A 34 -5.474 19.579 -28.642 1.00 14.41 C ATOM 480 CE1 PHE A 34 -5.976 17.653 -30.637 1.00 23.34 C ATOM 481 CE2 PHE A 34 -6.279 19.910 -29.796 1.00 24.43 C ATOM 482 CZ PHE A 34 -6.524 18.930 -30.782 1.00 3.34 C ATOM 0 H PHE A 34 -2.558 17.223 -25.517 1.00 73.04 H new ATOM 0 HA PHE A 34 -2.301 17.390 -28.294 1.00 45.42 H new ATOM 0 HB2 PHE A 34 -4.369 16.893 -26.962 1.00 60.11 H new ATOM 0 HB3 PHE A 34 -4.418 18.561 -26.428 1.00 60.11 H new ATOM 0 HD1 PHE A 34 -4.787 16.328 -29.374 1.00 64.33 H new ATOM 0 HD2 PHE A 34 -5.279 20.333 -27.894 1.00 14.41 H new ATOM 0 HE1 PHE A 34 -6.144 16.908 -31.400 1.00 23.34 H new ATOM 0 HE2 PHE A 34 -6.691 20.902 -29.903 1.00 24.43 H new ATOM 0 HZ PHE A 34 -7.131 19.166 -31.643 1.00 3.34 H new ATOM 492 N HIS A 35 -1.989 20.320 -26.845 1.00 23.12 N ATOM 493 CA HIS A 35 -1.631 21.718 -27.114 1.00 14.24 C ATOM 494 C HIS A 35 -0.129 21.914 -27.343 1.00 13.13 C ATOM 495 O HIS A 35 0.283 22.929 -27.887 1.00 23.13 O ATOM 496 CB HIS A 35 -2.101 22.634 -25.978 1.00 42.43 C ATOM 497 CG HIS A 35 -1.598 22.233 -24.629 1.00 22.12 C ATOM 498 ND1 HIS A 35 -2.376 21.635 -23.666 1.00 51.21 N ATOM 499 CD2 HIS A 35 -0.363 22.361 -24.061 1.00 42.22 C ATOM 500 CE1 HIS A 35 -1.614 21.456 -22.580 1.00 50.03 C ATOM 501 NE2 HIS A 35 -0.380 21.875 -22.776 1.00 12.35 N ATOM 0 H HIS A 35 -2.049 20.083 -25.855 1.00 23.12 H new ATOM 0 HA HIS A 35 -2.143 21.988 -28.037 1.00 14.24 H new ATOM 0 HB2 HIS A 35 -1.776 23.653 -26.188 1.00 42.43 H new ATOM 0 HB3 HIS A 35 -3.191 22.644 -25.960 1.00 42.43 H new ATOM 0 HD2 HIS A 35 0.502 22.783 -24.551 1.00 42.22 H new ATOM 0 HE1 HIS A 35 -1.967 21.022 -21.656 1.00 50.03 H new ATOM 0 HE2 HIS A 35 0.396 21.845 -22.115 1.00 12.35 H new ATOM 509 N ASP A 36 0.688 20.957 -26.920 1.00 73.14 N ATOM 510 CA ASP A 36 2.147 21.045 -27.099 1.00 13.41 C ATOM 511 C ASP A 36 2.421 20.674 -28.552 1.00 0.41 C ATOM 512 O ASP A 36 3.227 21.272 -29.245 1.00 64.51 O ATOM 513 CB ASP A 36 2.842 20.077 -26.138 1.00 71.11 C ATOM 514 CG ASP A 36 4.335 20.328 -26.001 1.00 15.32 C ATOM 515 OD1 ASP A 36 4.794 21.432 -26.361 1.00 51.20 O ATOM 516 OD2 ASP A 36 5.023 19.461 -25.400 1.00 64.11 O ATOM 0 H ASP A 36 0.373 20.108 -26.450 1.00 73.14 H new ATOM 0 HA ASP A 36 2.528 22.043 -26.882 1.00 13.41 H new ATOM 0 HB2 ASP A 36 2.376 20.156 -25.156 1.00 71.11 H new ATOM 0 HB3 ASP A 36 2.683 19.056 -26.485 1.00 71.11 H new ATOM 521 N LEU A 37 1.601 19.750 -29.030 1.00 21.02 N ATOM 522 CA LEU A 37 1.587 19.325 -30.423 1.00 11.34 C ATOM 523 C LEU A 37 0.868 20.350 -31.317 1.00 63.32 C ATOM 524 O LEU A 37 0.539 20.050 -32.453 1.00 44.30 O ATOM 525 CB LEU A 37 0.888 17.961 -30.507 1.00 22.34 C ATOM 526 CG LEU A 37 1.539 16.769 -29.797 1.00 61.12 C ATOM 527 CD1 LEU A 37 0.594 15.576 -29.852 1.00 51.24 C ATOM 528 CD2 LEU A 37 2.864 16.368 -30.408 1.00 32.42 C ATOM 0 H LEU A 37 0.915 19.266 -28.451 1.00 21.02 H new ATOM 0 HA LEU A 37 2.613 19.247 -30.783 1.00 11.34 H new ATOM 0 HB2 LEU A 37 -0.119 18.078 -30.107 1.00 22.34 H new ATOM 0 HB3 LEU A 37 0.784 17.704 -31.561 1.00 22.34 H new ATOM 0 HG LEU A 37 1.732 17.077 -28.769 1.00 61.12 H new ATOM 0 HD11 LEU A 37 1.053 14.725 -29.348 1.00 51.24 H new ATOM 0 HD12 LEU A 37 -0.342 15.830 -29.355 1.00 51.24 H new ATOM 0 HD13 LEU A 37 0.395 15.317 -30.892 1.00 51.24 H new ATOM 0 HD21 LEU A 37 3.275 15.519 -29.861 1.00 32.42 H new ATOM 0 HD22 LEU A 37 2.714 16.090 -31.451 1.00 32.42 H new ATOM 0 HD23 LEU A 37 3.559 17.206 -30.352 1.00 32.42 H new ATOM 540 N GLY A 38 0.606 21.545 -30.802 1.00 11.50 N ATOM 541 CA GLY A 38 0.028 22.614 -31.606 1.00 51.00 C ATOM 542 C GLY A 38 -1.495 22.734 -31.648 1.00 63.24 C ATOM 543 O GLY A 38 -2.040 23.557 -32.394 1.00 55.44 O ATOM 0 H GLY A 38 0.785 21.798 -29.830 1.00 11.50 H new ATOM 0 HA2 GLY A 38 0.428 23.560 -31.241 1.00 51.00 H new ATOM 0 HA3 GLY A 38 0.382 22.491 -32.630 1.00 51.00 H new ATOM 547 N GLY A 39 -2.207 21.944 -30.863 1.00 74.43 N ATOM 548 CA GLY A 39 -3.669 21.925 -30.926 1.00 54.42 C ATOM 549 C GLY A 39 -4.441 22.927 -30.083 1.00 65.40 C ATOM 550 O GLY A 39 -4.556 22.792 -28.867 1.00 35.04 O ATOM 0 H GLY A 39 -1.804 21.308 -30.175 1.00 74.43 H new ATOM 0 HA2 GLY A 39 -3.959 22.073 -31.966 1.00 54.42 H new ATOM 0 HA3 GLY A 39 -4.001 20.926 -30.642 1.00 54.42 H new ATOM 554 N SER A 40 -5.062 23.900 -30.749 1.00 42.12 N ATOM 555 CA SER A 40 -5.919 24.884 -30.076 1.00 70.13 C ATOM 556 C SER A 40 -7.306 24.295 -29.747 1.00 13.44 C ATOM 557 O SER A 40 -7.729 23.307 -30.332 1.00 70.30 O ATOM 558 CB SER A 40 -6.080 26.118 -30.967 1.00 11.14 C ATOM 559 OG SER A 40 -4.821 26.697 -31.235 1.00 0.23 O ATOM 0 H SER A 40 -4.989 24.031 -31.758 1.00 42.12 H new ATOM 0 HA SER A 40 -5.441 25.163 -29.137 1.00 70.13 H new ATOM 0 HB2 SER A 40 -6.566 25.839 -31.902 1.00 11.14 H new ATOM 0 HB3 SER A 40 -6.726 26.847 -30.477 1.00 11.14 H new ATOM 0 HG SER A 40 -4.938 27.484 -31.807 1.00 0.23 H new ATOM 565 N SER A 41 -8.035 24.931 -28.830 1.00 52.24 N ATOM 566 CA SER A 41 -9.372 24.450 -28.401 1.00 41.23 C ATOM 567 C SER A 41 -10.396 24.301 -29.535 1.00 35.32 C ATOM 568 O SER A 41 -11.315 23.499 -29.455 1.00 61.24 O ATOM 569 CB SER A 41 -9.925 25.435 -27.368 1.00 3.33 C ATOM 570 OG SER A 41 -8.908 25.851 -26.467 1.00 53.01 O ATOM 0 H SER A 41 -7.731 25.785 -28.362 1.00 52.24 H new ATOM 0 HA SER A 41 -9.225 23.449 -27.995 1.00 41.23 H new ATOM 0 HB2 SER A 41 -10.344 26.304 -27.876 1.00 3.33 H new ATOM 0 HB3 SER A 41 -10.739 24.968 -26.813 1.00 3.33 H new ATOM 0 HG SER A 41 -9.284 26.481 -25.817 1.00 53.01 H new ATOM 576 N ALA A 42 -10.230 25.057 -30.611 1.00 61.33 N ATOM 577 CA ALA A 42 -11.124 24.939 -31.765 1.00 4.12 C ATOM 578 C ALA A 42 -10.888 23.615 -32.502 1.00 15.13 C ATOM 579 O ALA A 42 -11.810 23.004 -33.053 1.00 73.44 O ATOM 580 CB ALA A 42 -10.913 26.124 -32.712 1.00 4.32 C ATOM 0 H ALA A 42 -9.493 25.754 -30.714 1.00 61.33 H new ATOM 0 HA ALA A 42 -12.154 24.949 -31.410 1.00 4.12 H new ATOM 0 HB1 ALA A 42 -11.581 26.029 -33.568 1.00 4.32 H new ATOM 0 HB2 ALA A 42 -11.128 27.054 -32.185 1.00 4.32 H new ATOM 0 HB3 ALA A 42 -9.879 26.134 -33.058 1.00 4.32 H new ATOM 586 N LEU A 43 -9.646 23.165 -32.491 1.00 41.31 N ATOM 587 CA LEU A 43 -9.263 21.908 -33.137 1.00 32.20 C ATOM 588 C LEU A 43 -9.765 20.728 -32.312 1.00 0.31 C ATOM 589 O LEU A 43 -10.099 19.678 -32.853 1.00 52.44 O ATOM 590 CB LEU A 43 -7.755 21.870 -33.260 1.00 20.22 C ATOM 591 CG LEU A 43 -7.142 20.859 -34.227 1.00 41.43 C ATOM 592 CD1 LEU A 43 -7.574 21.161 -35.662 1.00 33.41 C ATOM 593 CD2 LEU A 43 -5.630 20.876 -34.122 1.00 51.32 C ATOM 0 H LEU A 43 -8.873 23.653 -32.038 1.00 41.31 H new ATOM 0 HA LEU A 43 -9.710 21.843 -34.129 1.00 32.20 H new ATOM 0 HB2 LEU A 43 -7.419 22.863 -33.557 1.00 20.22 H new ATOM 0 HB3 LEU A 43 -7.343 21.677 -32.269 1.00 20.22 H new ATOM 0 HG LEU A 43 -7.500 19.865 -33.957 1.00 41.43 H new ATOM 0 HD11 LEU A 43 -7.128 20.431 -36.337 1.00 33.41 H new ATOM 0 HD12 LEU A 43 -8.660 21.106 -35.734 1.00 33.41 H new ATOM 0 HD13 LEU A 43 -7.242 22.162 -35.939 1.00 33.41 H new ATOM 0 HD21 LEU A 43 -5.209 20.150 -34.817 1.00 51.32 H new ATOM 0 HD22 LEU A 43 -5.259 21.871 -34.368 1.00 51.32 H new ATOM 0 HD23 LEU A 43 -5.333 20.619 -33.105 1.00 51.32 H new ATOM 605 N ALA A 44 -9.856 20.927 -31.007 1.00 22.35 N ATOM 606 CA ALA A 44 -10.337 19.881 -30.101 1.00 20.41 C ATOM 607 C ALA A 44 -11.729 19.339 -30.490 1.00 64.22 C ATOM 608 O ALA A 44 -12.029 18.168 -30.320 1.00 73.45 O ATOM 609 CB ALA A 44 -10.364 20.416 -28.692 1.00 23.43 C ATOM 0 H ALA A 44 -9.605 21.801 -30.545 1.00 22.35 H new ATOM 0 HA ALA A 44 -9.646 19.042 -30.176 1.00 20.41 H new ATOM 0 HB1 ALA A 44 -10.722 19.640 -28.015 1.00 23.43 H new ATOM 0 HB2 ALA A 44 -9.359 20.719 -28.398 1.00 23.43 H new ATOM 0 HB3 ALA A 44 -11.031 21.277 -28.642 1.00 23.43 H new ATOM 615 N MET A 45 -12.551 20.193 -31.075 1.00 11.35 N ATOM 616 CA MET A 45 -13.883 19.784 -31.521 1.00 72.13 C ATOM 617 C MET A 45 -13.812 18.688 -32.600 1.00 1.45 C ATOM 618 O MET A 45 -14.719 17.852 -32.740 1.00 23.14 O ATOM 619 CB MET A 45 -14.635 20.977 -32.104 1.00 4.30 C ATOM 620 CG MET A 45 -14.806 22.130 -31.113 1.00 50.32 C ATOM 621 SD MET A 45 -15.733 21.604 -29.664 1.00 71.01 S ATOM 622 CE MET A 45 -16.111 23.180 -28.869 1.00 73.33 C ATOM 0 H MET A 45 -12.326 21.172 -31.254 1.00 11.35 H new ATOM 0 HA MET A 45 -14.404 19.392 -30.647 1.00 72.13 H new ATOM 0 HB2 MET A 45 -14.102 21.339 -32.983 1.00 4.30 H new ATOM 0 HB3 MET A 45 -15.618 20.648 -32.441 1.00 4.30 H new ATOM 0 HG2 MET A 45 -13.827 22.500 -30.808 1.00 50.32 H new ATOM 0 HG3 MET A 45 -15.323 22.958 -31.599 1.00 50.32 H new ATOM 0 HE1 MET A 45 -16.683 23.000 -27.959 1.00 73.33 H new ATOM 0 HE2 MET A 45 -15.183 23.693 -28.619 1.00 73.33 H new ATOM 0 HE3 MET A 45 -16.696 23.799 -29.549 1.00 73.33 H new ATOM 632 N ARG A 46 -12.734 18.704 -33.366 1.00 1.51 N ATOM 633 CA ARG A 46 -12.554 17.747 -34.462 1.00 0.33 C ATOM 634 C ARG A 46 -12.143 16.415 -33.860 1.00 2.53 C ATOM 635 O ARG A 46 -12.506 15.369 -34.369 1.00 44.54 O ATOM 636 CB ARG A 46 -11.453 18.224 -35.409 1.00 74.11 C ATOM 637 CG ARG A 46 -11.643 19.675 -35.900 1.00 11.03 C ATOM 638 CD ARG A 46 -12.988 19.871 -36.537 1.00 74.22 C ATOM 639 NE ARG A 46 -13.131 21.217 -37.112 1.00 11.54 N ATOM 640 CZ ARG A 46 -12.810 21.570 -38.352 1.00 65.42 C ATOM 641 NH1 ARG A 46 -12.219 20.719 -39.147 1.00 12.03 N ATOM 642 NH2 ARG A 46 -13.065 22.805 -38.796 1.00 64.44 N ATOM 0 H ARG A 46 -11.966 19.366 -33.255 1.00 1.51 H new ATOM 0 HA ARG A 46 -13.484 17.653 -35.024 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -10.491 18.144 -34.903 1.00 74.11 H new ATOM 0 HB3 ARG A 46 -11.415 17.560 -36.272 1.00 74.11 H new ATOM 0 HG2 ARG A 46 -11.534 20.361 -35.060 1.00 11.03 H new ATOM 0 HG3 ARG A 46 -10.860 19.922 -36.617 1.00 11.03 H new ATOM 0 HD2 ARG A 46 -13.132 19.125 -37.319 1.00 74.22 H new ATOM 0 HD3 ARG A 46 -13.769 19.709 -35.794 1.00 74.22 H new ATOM 0 HE ARG A 46 -13.510 21.944 -36.505 1.00 11.54 H new ATOM 0 HH11 ARG A 46 -12.002 19.779 -38.817 1.00 12.03 H new ATOM 0 HH12 ARG A 46 -11.975 20.995 -40.098 1.00 12.03 H new ATOM 0 HH21 ARG A 46 -13.510 23.486 -38.181 1.00 64.44 H new ATOM 0 HH22 ARG A 46 -12.815 23.066 -39.750 1.00 64.44 H new ATOM 656 N LEU A 47 -11.415 16.467 -32.760 1.00 21.31 N ATOM 657 CA LEU A 47 -10.942 15.263 -32.073 1.00 11.40 C ATOM 658 C LEU A 47 -12.131 14.558 -31.451 1.00 43.33 C ATOM 659 O LEU A 47 -12.240 13.353 -31.534 1.00 14.11 O ATOM 660 CB LEU A 47 -9.925 15.623 -31.020 1.00 24.14 C ATOM 661 CG LEU A 47 -9.347 14.493 -30.171 1.00 42.31 C ATOM 662 CD1 LEU A 47 -8.604 13.489 -31.021 1.00 15.21 C ATOM 663 CD2 LEU A 47 -8.416 15.069 -29.148 1.00 65.04 C ATOM 0 H LEU A 47 -11.132 17.339 -32.313 1.00 21.31 H new ATOM 0 HA LEU A 47 -10.458 14.597 -32.788 1.00 11.40 H new ATOM 0 HB2 LEU A 47 -9.095 16.128 -31.515 1.00 24.14 H new ATOM 0 HB3 LEU A 47 -10.383 16.347 -30.346 1.00 24.14 H new ATOM 0 HG LEU A 47 -10.172 13.976 -29.681 1.00 42.31 H new ATOM 0 HD11 LEU A 47 -8.205 12.698 -30.385 1.00 15.21 H new ATOM 0 HD12 LEU A 47 -9.286 13.057 -31.753 1.00 15.21 H new ATOM 0 HD13 LEU A 47 -7.784 13.987 -31.538 1.00 15.21 H new ATOM 0 HD21 LEU A 47 -8.001 14.265 -28.540 1.00 65.04 H new ATOM 0 HD22 LEU A 47 -7.606 15.599 -29.650 1.00 65.04 H new ATOM 0 HD23 LEU A 47 -8.962 15.763 -28.509 1.00 65.04 H new ATOM 675 N ILE A 48 -13.019 15.320 -30.828 1.00 40.14 N ATOM 676 CA ILE A 48 -14.215 14.754 -30.220 1.00 23.33 C ATOM 677 C ILE A 48 -15.064 14.090 -31.298 1.00 72.23 C ATOM 678 O ILE A 48 -15.607 13.017 -31.087 1.00 1.25 O ATOM 679 CB ILE A 48 -15.003 15.863 -29.474 1.00 4.54 C ATOM 680 CG1 ILE A 48 -14.181 16.362 -28.263 1.00 75.20 C ATOM 681 CG2 ILE A 48 -16.362 15.332 -28.980 1.00 41.43 C ATOM 682 CD1 ILE A 48 -14.605 17.756 -27.771 1.00 20.34 C ATOM 0 H ILE A 48 -12.934 16.332 -30.730 1.00 40.14 H new ATOM 0 HA ILE A 48 -13.938 13.995 -29.488 1.00 23.33 H new ATOM 0 HB ILE A 48 -15.178 16.684 -30.169 1.00 4.54 H new ATOM 0 HG12 ILE A 48 -14.284 15.649 -27.445 1.00 75.20 H new ATOM 0 HG13 ILE A 48 -13.126 16.386 -28.534 1.00 75.20 H new ATOM 0 HG21 ILE A 48 -16.896 16.127 -28.460 1.00 41.43 H new ATOM 0 HG22 ILE A 48 -16.952 14.995 -29.832 1.00 41.43 H new ATOM 0 HG23 ILE A 48 -16.200 14.497 -28.298 1.00 41.43 H new ATOM 0 HD11 ILE A 48 -13.988 18.045 -26.920 1.00 20.34 H new ATOM 0 HD12 ILE A 48 -14.476 18.480 -28.575 1.00 20.34 H new ATOM 0 HD13 ILE A 48 -15.652 17.732 -27.469 1.00 20.34 H new ATOM 694 N ALA A 49 -15.145 14.702 -32.457 1.00 53.24 N ATOM 695 CA ALA A 49 -15.856 14.121 -33.575 1.00 32.45 C ATOM 696 C ALA A 49 -15.190 12.827 -34.044 1.00 14.04 C ATOM 697 O ALA A 49 -15.871 11.852 -34.304 1.00 63.41 O ATOM 698 CB ALA A 49 -15.922 15.126 -34.750 1.00 33.42 C ATOM 0 H ALA A 49 -14.724 15.610 -32.652 1.00 53.24 H new ATOM 0 HA ALA A 49 -16.867 13.887 -33.240 1.00 32.45 H new ATOM 0 HB1 ALA A 49 -16.460 14.676 -35.584 1.00 33.42 H new ATOM 0 HB2 ALA A 49 -16.442 16.028 -34.428 1.00 33.42 H new ATOM 0 HB3 ALA A 49 -14.911 15.383 -35.066 1.00 33.42 H new ATOM 704 N ARG A 50 -13.860 12.813 -34.114 1.00 12.13 N ATOM 705 CA ARG A 50 -13.127 11.589 -34.511 1.00 54.40 C ATOM 706 C ARG A 50 -13.364 10.452 -33.546 1.00 12.32 C ATOM 707 O ARG A 50 -13.388 9.317 -33.906 1.00 63.00 O ATOM 708 CB ARG A 50 -11.618 11.923 -34.545 1.00 72.05 C ATOM 709 CG ARG A 50 -10.930 11.609 -35.840 1.00 33.35 C ATOM 710 CD ARG A 50 -11.255 12.583 -36.967 1.00 33.15 C ATOM 711 NE ARG A 50 -10.250 12.440 -38.010 1.00 25.43 N ATOM 712 CZ ARG A 50 -10.095 13.202 -39.079 1.00 11.03 C ATOM 713 NH1 ARG A 50 -10.865 14.234 -39.345 1.00 22.42 N ATOM 714 NH2 ARG A 50 -9.116 12.913 -39.891 1.00 63.11 N ATOM 0 H ARG A 50 -13.266 13.616 -33.907 1.00 12.13 H new ATOM 0 HA ARG A 50 -13.485 11.269 -35.489 1.00 54.40 H new ATOM 0 HB2 ARG A 50 -11.491 12.984 -34.331 1.00 72.05 H new ATOM 0 HB3 ARG A 50 -11.121 11.375 -33.744 1.00 72.05 H new ATOM 0 HG2 ARG A 50 -9.852 11.606 -35.676 1.00 33.35 H new ATOM 0 HG3 ARG A 50 -11.208 10.602 -36.152 1.00 33.35 H new ATOM 0 HD2 ARG A 50 -12.248 12.379 -37.368 1.00 33.15 H new ATOM 0 HD3 ARG A 50 -11.267 13.606 -36.591 1.00 33.15 H new ATOM 0 HE ARG A 50 -9.593 11.667 -37.905 1.00 25.43 H new ATOM 0 HH11 ARG A 50 -11.626 14.479 -38.711 1.00 22.42 H new ATOM 0 HH12 ARG A 50 -10.702 14.789 -40.185 1.00 22.42 H new ATOM 0 HH21 ARG A 50 -8.503 12.123 -39.690 1.00 63.11 H new ATOM 0 HH22 ARG A 50 -8.963 13.477 -40.727 1.00 63.11 H new ATOM 728 N ILE A 51 -13.459 10.802 -32.267 1.00 1.20 N ATOM 729 CA ILE A 51 -13.612 9.842 -31.254 1.00 24.24 C ATOM 730 C ILE A 51 -14.922 9.019 -31.461 1.00 50.51 C ATOM 731 O ILE A 51 -15.012 7.852 -31.185 1.00 43.52 O ATOM 732 CB ILE A 51 -13.592 10.441 -29.798 1.00 74.12 C ATOM 733 CG1 ILE A 51 -12.129 10.855 -29.408 1.00 4.54 C ATOM 734 CG2 ILE A 51 -14.087 9.440 -28.750 1.00 21.11 C ATOM 735 CD1 ILE A 51 -12.015 11.776 -28.152 1.00 32.53 C ATOM 0 H ILE A 51 -13.429 11.766 -31.935 1.00 1.20 H new ATOM 0 HA ILE A 51 -12.742 9.191 -31.340 1.00 24.24 H new ATOM 0 HB ILE A 51 -14.259 11.303 -29.807 1.00 74.12 H new ATOM 0 HG12 ILE A 51 -11.547 9.951 -29.231 1.00 4.54 H new ATOM 0 HG13 ILE A 51 -11.674 11.366 -30.257 1.00 4.54 H new ATOM 0 HG21 ILE A 51 -14.054 9.901 -27.763 1.00 21.11 H new ATOM 0 HG22 ILE A 51 -15.112 9.149 -28.981 1.00 21.11 H new ATOM 0 HG23 ILE A 51 -13.448 8.557 -28.760 1.00 21.11 H new ATOM 0 HD11 ILE A 51 -10.966 12.006 -27.964 1.00 32.53 H new ATOM 0 HD12 ILE A 51 -12.564 12.701 -28.328 1.00 32.53 H new ATOM 0 HD13 ILE A 51 -12.435 11.264 -27.286 1.00 32.53 H new ATOM 747 N ARG A 52 -15.935 9.680 -32.044 1.00 55.44 N ATOM 748 CA ARG A 52 -17.206 9.008 -32.298 1.00 71.32 C ATOM 749 C ARG A 52 -17.099 7.884 -33.299 1.00 75.42 C ATOM 750 O ARG A 52 -17.840 6.916 -33.245 1.00 74.43 O ATOM 751 CB ARG A 52 -18.259 9.975 -32.801 1.00 51.30 C ATOM 752 CG ARG A 52 -18.642 11.041 -31.817 1.00 11.32 C ATOM 753 CD ARG A 52 -19.642 11.997 -32.486 1.00 23.24 C ATOM 754 NE ARG A 52 -20.693 12.464 -31.553 1.00 62.14 N ATOM 755 CZ ARG A 52 -21.860 11.855 -31.338 1.00 11.11 C ATOM 756 NH1 ARG A 52 -22.194 10.736 -31.927 1.00 14.21 N ATOM 757 NH2 ARG A 52 -22.699 12.394 -30.496 1.00 44.11 N ATOM 0 H ARG A 52 -15.896 10.655 -32.340 1.00 55.44 H new ATOM 0 HA ARG A 52 -17.496 8.593 -31.333 1.00 71.32 H new ATOM 0 HB2 ARG A 52 -17.893 10.452 -33.710 1.00 51.30 H new ATOM 0 HB3 ARG A 52 -19.151 9.412 -33.074 1.00 51.30 H new ATOM 0 HG2 ARG A 52 -19.086 10.592 -30.928 1.00 11.32 H new ATOM 0 HG3 ARG A 52 -17.758 11.588 -31.490 1.00 11.32 H new ATOM 0 HD2 ARG A 52 -19.105 12.858 -32.884 1.00 23.24 H new ATOM 0 HD3 ARG A 52 -20.110 11.494 -33.332 1.00 23.24 H new ATOM 0 HE ARG A 52 -20.509 13.322 -31.032 1.00 62.14 H new ATOM 0 HH11 ARG A 52 -21.550 10.293 -32.582 1.00 14.21 H new ATOM 0 HH12 ARG A 52 -23.098 10.307 -31.731 1.00 14.21 H new ATOM 0 HH21 ARG A 52 -22.456 13.262 -30.019 1.00 44.11 H new ATOM 0 HH22 ARG A 52 -23.598 11.947 -30.315 1.00 44.11 H new ATOM 771 N GLU A 53 -16.189 8.016 -34.246 1.00 21.15 N ATOM 772 CA GLU A 53 -16.059 7.018 -35.294 1.00 42.35 C ATOM 773 C GLU A 53 -15.373 5.799 -34.740 1.00 32.01 C ATOM 774 O GLU A 53 -15.776 4.669 -35.005 1.00 55.32 O ATOM 775 CB GLU A 53 -15.128 7.531 -36.387 1.00 1.41 C ATOM 776 CG GLU A 53 -15.522 8.918 -36.932 1.00 33.31 C ATOM 777 CD GLU A 53 -16.821 8.841 -37.724 1.00 45.51 C ATOM 778 OE1 GLU A 53 -16.872 8.175 -38.788 1.00 25.13 O ATOM 779 OE2 GLU A 53 -17.749 9.600 -37.357 1.00 73.31 O ATOM 0 H GLU A 53 -15.535 8.796 -34.313 1.00 21.15 H new ATOM 0 HA GLU A 53 -17.057 6.800 -35.675 1.00 42.35 H new ATOM 0 HB2 GLU A 53 -14.112 7.579 -35.994 1.00 1.41 H new ATOM 0 HB3 GLU A 53 -15.118 6.816 -37.210 1.00 1.41 H new ATOM 0 HG2 GLU A 53 -15.636 9.619 -36.105 1.00 33.31 H new ATOM 0 HG3 GLU A 53 -14.725 9.303 -37.569 1.00 33.31 H new ATOM 786 N GLU A 54 -14.400 6.046 -33.869 1.00 55.11 N ATOM 787 CA GLU A 54 -13.585 4.959 -33.320 1.00 52.34 C ATOM 788 C GLU A 54 -14.181 4.289 -32.070 1.00 42.22 C ATOM 789 O GLU A 54 -14.200 3.049 -31.950 1.00 31.24 O ATOM 790 CB GLU A 54 -12.251 5.529 -32.927 1.00 11.23 C ATOM 791 CG GLU A 54 -11.323 5.724 -34.106 1.00 22.34 C ATOM 792 CD GLU A 54 -10.932 4.385 -34.748 1.00 54.41 C ATOM 793 OE1 GLU A 54 -10.447 3.494 -34.017 1.00 65.53 O ATOM 794 OE2 GLU A 54 -11.081 4.249 -35.983 1.00 72.42 O ATOM 0 H GLU A 54 -14.156 6.976 -33.529 1.00 55.11 H new ATOM 0 HA GLU A 54 -13.523 4.197 -34.097 1.00 52.34 H new ATOM 0 HB2 GLU A 54 -12.403 6.486 -32.429 1.00 11.23 H new ATOM 0 HB3 GLU A 54 -11.777 4.865 -32.204 1.00 11.23 H new ATOM 0 HG2 GLU A 54 -11.807 6.357 -34.850 1.00 22.34 H new ATOM 0 HG3 GLU A 54 -10.424 6.247 -33.779 1.00 22.34 H new ATOM 801 N LEU A 55 -14.572 5.078 -31.063 1.00 73.23 N ATOM 802 CA LEU A 55 -15.003 4.508 -29.776 1.00 40.32 C ATOM 803 C LEU A 55 -16.517 4.476 -29.679 1.00 52.00 C ATOM 804 O LEU A 55 -17.083 3.956 -28.724 1.00 33.31 O ATOM 805 CB LEU A 55 -14.418 5.329 -28.635 1.00 13.01 C ATOM 806 CG LEU A 55 -12.882 5.529 -28.602 1.00 65.11 C ATOM 807 CD1 LEU A 55 -12.549 6.266 -27.283 1.00 25.22 C ATOM 808 CD2 LEU A 55 -12.037 4.286 -28.669 1.00 10.05 C ATOM 0 H LEU A 55 -14.600 6.097 -31.109 1.00 73.23 H new ATOM 0 HA LEU A 55 -14.640 3.483 -29.707 1.00 40.32 H new ATOM 0 HB2 LEU A 55 -14.884 6.314 -28.658 1.00 13.01 H new ATOM 0 HB3 LEU A 55 -14.715 4.859 -27.698 1.00 13.01 H new ATOM 0 HG LEU A 55 -12.635 6.081 -29.509 1.00 65.11 H new ATOM 0 HD11 LEU A 55 -11.473 6.428 -27.218 1.00 25.22 H new ATOM 0 HD12 LEU A 55 -13.063 7.227 -27.264 1.00 25.22 H new ATOM 0 HD13 LEU A 55 -12.877 5.663 -26.436 1.00 25.22 H new ATOM 0 HD21 LEU A 55 -10.983 4.561 -28.638 1.00 10.05 H new ATOM 0 HD22 LEU A 55 -12.269 3.642 -27.821 1.00 10.05 H new ATOM 0 HD23 LEU A 55 -12.246 3.754 -29.597 1.00 10.05 H new ATOM 820 N GLY A 56 -17.167 5.023 -30.709 1.00 14.34 N ATOM 821 CA GLY A 56 -18.625 5.003 -30.751 1.00 11.04 C ATOM 822 C GLY A 56 -19.338 5.870 -29.751 1.00 64.21 C ATOM 823 O GLY A 56 -20.509 5.635 -29.468 1.00 33.12 O ATOM 0 H GLY A 56 -16.717 5.474 -31.506 1.00 14.34 H new ATOM 0 HA2 GLY A 56 -18.941 5.304 -31.750 1.00 11.04 H new ATOM 0 HA3 GLY A 56 -18.956 3.974 -30.608 1.00 11.04 H new ATOM 827 N VAL A 57 -18.647 6.844 -29.185 1.00 52.41 N ATOM 828 CA VAL A 57 -19.197 7.670 -28.100 1.00 44.42 C ATOM 829 C VAL A 57 -18.722 9.105 -28.272 1.00 1.23 C ATOM 830 O VAL A 57 -17.728 9.348 -28.955 1.00 24.01 O ATOM 831 CB VAL A 57 -18.718 7.173 -26.682 1.00 30.04 C ATOM 832 CG1 VAL A 57 -19.332 5.817 -26.341 1.00 65.33 C ATOM 833 CG2 VAL A 57 -17.184 7.100 -26.608 1.00 72.13 C ATOM 0 H VAL A 57 -17.695 7.091 -29.455 1.00 52.41 H new ATOM 0 HA VAL A 57 -20.283 7.597 -28.153 1.00 44.42 H new ATOM 0 HB VAL A 57 -19.060 7.900 -25.946 1.00 30.04 H new ATOM 0 HG11 VAL A 57 -18.985 5.497 -25.358 1.00 65.33 H new ATOM 0 HG12 VAL A 57 -20.419 5.901 -26.333 1.00 65.33 H new ATOM 0 HG13 VAL A 57 -19.031 5.083 -27.088 1.00 65.33 H new ATOM 0 HG21 VAL A 57 -16.883 6.754 -25.619 1.00 72.13 H new ATOM 0 HG22 VAL A 57 -16.816 6.405 -27.363 1.00 72.13 H new ATOM 0 HG23 VAL A 57 -16.763 8.089 -26.790 1.00 72.13 H new ATOM 843 N ASP A 58 -19.411 10.049 -27.665 1.00 60.22 N ATOM 844 CA ASP A 58 -19.018 11.433 -27.747 1.00 22.02 C ATOM 845 C ASP A 58 -18.235 11.813 -26.495 1.00 22.22 C ATOM 846 O ASP A 58 -18.771 11.937 -25.403 1.00 74.41 O ATOM 847 CB ASP A 58 -20.235 12.335 -27.974 1.00 65.15 C ATOM 848 CG ASP A 58 -21.258 12.287 -26.840 1.00 22.24 C ATOM 849 OD1 ASP A 58 -21.660 11.180 -26.402 1.00 70.24 O ATOM 850 OD2 ASP A 58 -21.733 13.382 -26.449 1.00 54.11 O ATOM 0 H ASP A 58 -20.248 9.878 -27.108 1.00 60.22 H new ATOM 0 HA ASP A 58 -18.365 11.577 -28.608 1.00 22.02 H new ATOM 0 HB2 ASP A 58 -19.895 13.363 -28.101 1.00 65.15 H new ATOM 0 HB3 ASP A 58 -20.723 12.044 -28.904 1.00 65.15 H new ATOM 855 N LEU A 59 -16.928 11.981 -26.653 1.00 21.44 N ATOM 856 CA LEU A 59 -16.095 12.306 -25.498 1.00 52.42 C ATOM 857 C LEU A 59 -16.466 13.687 -24.945 1.00 31.34 C ATOM 858 O LEU A 59 -16.431 14.689 -25.670 1.00 41.34 O ATOM 859 CB LEU A 59 -14.624 12.284 -25.854 1.00 43.13 C ATOM 860 CG LEU A 59 -13.677 12.476 -24.657 1.00 11.25 C ATOM 861 CD1 LEU A 59 -13.120 11.141 -24.189 1.00 12.31 C ATOM 862 CD2 LEU A 59 -12.563 13.456 -24.965 1.00 44.42 C ATOM 0 H LEU A 59 -16.432 11.901 -27.541 1.00 21.44 H new ATOM 0 HA LEU A 59 -16.277 11.547 -24.737 1.00 52.42 H new ATOM 0 HB2 LEU A 59 -14.393 11.334 -26.335 1.00 43.13 H new ATOM 0 HB3 LEU A 59 -14.428 13.068 -26.586 1.00 43.13 H new ATOM 0 HG LEU A 59 -14.263 12.906 -23.845 1.00 11.25 H new ATOM 0 HD11 LEU A 59 -12.453 11.302 -23.342 1.00 12.31 H new ATOM 0 HD12 LEU A 59 -13.941 10.490 -23.886 1.00 12.31 H new ATOM 0 HD13 LEU A 59 -12.566 10.672 -25.003 1.00 12.31 H new ATOM 0 HD21 LEU A 59 -11.919 13.561 -24.092 1.00 44.42 H new ATOM 0 HD22 LEU A 59 -11.976 13.087 -25.807 1.00 44.42 H new ATOM 0 HD23 LEU A 59 -12.991 14.426 -25.218 1.00 44.42 H new ATOM 874 N PRO A 60 -16.781 13.771 -23.646 1.00 53.02 N ATOM 875 CA PRO A 60 -16.999 15.097 -23.064 1.00 21.00 C ATOM 876 C PRO A 60 -15.761 15.971 -23.183 1.00 61.30 C ATOM 877 O PRO A 60 -14.657 15.526 -22.869 1.00 63.13 O ATOM 878 CB PRO A 60 -17.279 14.776 -21.572 1.00 34.22 C ATOM 879 CG PRO A 60 -17.723 13.349 -21.581 1.00 4.03 C ATOM 880 CD PRO A 60 -16.890 12.705 -22.635 1.00 22.23 C ATOM 0 HA PRO A 60 -17.799 15.646 -23.561 1.00 21.00 H new ATOM 0 HB2 PRO A 60 -16.386 14.912 -20.961 1.00 34.22 H new ATOM 0 HB3 PRO A 60 -18.048 15.430 -21.162 1.00 34.22 H new ATOM 0 HG2 PRO A 60 -17.567 12.879 -20.610 1.00 4.03 H new ATOM 0 HG3 PRO A 60 -18.786 13.266 -21.809 1.00 4.03 H new ATOM 0 HD2 PRO A 60 -15.914 12.405 -22.254 1.00 22.23 H new ATOM 0 HD3 PRO A 60 -17.364 11.810 -23.038 1.00 22.23 H new ATOM 888 N ILE A 61 -15.925 17.234 -23.544 1.00 43.34 N ATOM 889 CA ILE A 61 -14.761 18.136 -23.664 1.00 71.43 C ATOM 890 C ILE A 61 -14.115 18.311 -22.267 1.00 12.24 C ATOM 891 O ILE A 61 -12.934 18.569 -22.133 1.00 72.34 O ATOM 892 CB ILE A 61 -15.153 19.484 -24.327 1.00 35.41 C ATOM 893 CG1 ILE A 61 -13.875 20.207 -24.818 1.00 41.23 C ATOM 894 CG2 ILE A 61 -15.982 20.375 -23.370 1.00 14.24 C ATOM 895 CD1 ILE A 61 -14.109 21.326 -25.834 1.00 14.42 C ATOM 0 H ILE A 61 -16.826 17.663 -23.757 1.00 43.34 H new ATOM 0 HA ILE A 61 -14.018 17.694 -24.327 1.00 71.43 H new ATOM 0 HB ILE A 61 -15.793 19.279 -25.185 1.00 35.41 H new ATOM 0 HG12 ILE A 61 -13.359 20.625 -23.954 1.00 41.23 H new ATOM 0 HG13 ILE A 61 -13.207 19.469 -25.262 1.00 41.23 H new ATOM 0 HG21 ILE A 61 -16.236 21.309 -23.871 1.00 14.24 H new ATOM 0 HG22 ILE A 61 -16.897 19.853 -23.088 1.00 14.24 H new ATOM 0 HG23 ILE A 61 -15.397 20.591 -22.476 1.00 14.24 H new ATOM 0 HD11 ILE A 61 -13.153 21.769 -26.114 1.00 14.42 H new ATOM 0 HD12 ILE A 61 -14.594 20.917 -26.721 1.00 14.42 H new ATOM 0 HD13 ILE A 61 -14.747 22.091 -25.392 1.00 14.42 H new ATOM 907 N ARG A 62 -14.886 18.038 -21.227 1.00 33.15 N ATOM 908 CA ARG A 62 -14.378 18.053 -19.850 1.00 61.30 C ATOM 909 C ARG A 62 -13.323 16.958 -19.644 1.00 62.42 C ATOM 910 O ARG A 62 -12.355 17.164 -18.929 1.00 54.45 O ATOM 911 CB ARG A 62 -15.512 17.837 -18.836 1.00 52.35 C ATOM 912 CG ARG A 62 -16.652 18.795 -18.972 1.00 62.24 C ATOM 913 CD ARG A 62 -17.082 19.448 -17.634 1.00 62.21 C ATOM 914 NE ARG A 62 -16.161 20.531 -17.218 1.00 30.21 N ATOM 915 CZ ARG A 62 -16.285 21.266 -16.120 1.00 74.03 C ATOM 916 NH1 ARG A 62 -17.290 21.105 -15.293 1.00 1.41 N ATOM 917 NH2 ARG A 62 -15.404 22.184 -15.854 1.00 71.32 N ATOM 0 H ARG A 62 -15.875 17.801 -21.304 1.00 33.15 H new ATOM 0 HA ARG A 62 -13.929 19.033 -19.687 1.00 61.30 H new ATOM 0 HB2 ARG A 62 -15.892 16.821 -18.945 1.00 52.35 H new ATOM 0 HB3 ARG A 62 -15.103 17.918 -17.829 1.00 52.35 H new ATOM 0 HG2 ARG A 62 -16.373 19.580 -19.676 1.00 62.24 H new ATOM 0 HG3 ARG A 62 -17.506 18.271 -19.401 1.00 62.24 H new ATOM 0 HD2 ARG A 62 -18.090 19.850 -17.735 1.00 62.21 H new ATOM 0 HD3 ARG A 62 -17.119 18.686 -16.855 1.00 62.21 H new ATOM 0 HE ARG A 62 -15.366 20.728 -17.826 1.00 30.21 H new ATOM 0 HH11 ARG A 62 -18.002 20.400 -15.486 1.00 1.41 H new ATOM 0 HH12 ARG A 62 -17.360 21.684 -14.456 1.00 1.41 H new ATOM 0 HH21 ARG A 62 -14.620 22.338 -16.488 1.00 71.32 H new ATOM 0 HH22 ARG A 62 -15.496 22.751 -15.011 1.00 71.32 H new ATOM 931 N GLN A 63 -13.520 15.781 -20.253 1.00 3.31 N ATOM 932 CA GLN A 63 -12.588 14.669 -20.128 1.00 44.22 C ATOM 933 C GLN A 63 -11.268 15.073 -20.762 1.00 5.02 C ATOM 934 O GLN A 63 -10.208 14.826 -20.211 1.00 72.50 O ATOM 935 CB GLN A 63 -13.145 13.421 -20.839 1.00 32.42 C ATOM 936 CG GLN A 63 -13.365 12.254 -19.930 1.00 71.22 C ATOM 937 CD GLN A 63 -14.780 12.170 -19.392 1.00 12.30 C ATOM 938 OE1 GLN A 63 -15.475 11.219 -19.628 1.00 12.24 O ATOM 939 NE2 GLN A 63 -15.198 13.162 -18.646 1.00 33.05 N ATOM 0 H GLN A 63 -14.328 15.580 -20.842 1.00 3.31 H new ATOM 0 HA GLN A 63 -12.443 14.429 -19.075 1.00 44.22 H new ATOM 0 HB2 GLN A 63 -14.089 13.679 -21.318 1.00 32.42 H new ATOM 0 HB3 GLN A 63 -12.456 13.128 -21.631 1.00 32.42 H new ATOM 0 HG2 GLN A 63 -13.133 11.335 -20.468 1.00 71.22 H new ATOM 0 HG3 GLN A 63 -12.669 12.318 -19.094 1.00 71.22 H new ATOM 0 HE21 GLN A 63 -14.585 13.956 -18.463 1.00 33.05 H new ATOM 0 HE22 GLN A 63 -16.137 13.140 -18.248 1.00 33.05 H new ATOM 948 N LEU A 64 -11.353 15.721 -21.918 1.00 0.51 N ATOM 949 CA LEU A 64 -10.147 16.193 -22.630 1.00 63.01 C ATOM 950 C LEU A 64 -9.392 17.230 -21.800 1.00 12.12 C ATOM 951 O LEU A 64 -8.192 17.167 -21.663 1.00 62.32 O ATOM 952 CB LEU A 64 -10.552 16.816 -23.954 1.00 1.44 C ATOM 953 CG LEU A 64 -9.389 17.177 -24.887 1.00 32.33 C ATOM 954 CD1 LEU A 64 -8.657 15.925 -25.417 1.00 42.33 C ATOM 955 CD2 LEU A 64 -9.923 17.981 -26.040 1.00 74.22 C ATOM 0 H LEU A 64 -12.232 15.936 -22.388 1.00 0.51 H new ATOM 0 HA LEU A 64 -9.493 15.338 -22.800 1.00 63.01 H new ATOM 0 HB2 LEU A 64 -11.214 16.125 -24.475 1.00 1.44 H new ATOM 0 HB3 LEU A 64 -11.129 17.719 -23.752 1.00 1.44 H new ATOM 0 HG LEU A 64 -8.663 17.758 -24.317 1.00 32.33 H new ATOM 0 HD11 LEU A 64 -7.842 16.231 -26.073 1.00 42.33 H new ATOM 0 HD12 LEU A 64 -8.254 15.357 -24.579 1.00 42.33 H new ATOM 0 HD13 LEU A 64 -9.357 15.303 -25.974 1.00 42.33 H new ATOM 0 HD21 LEU A 64 -9.105 18.244 -26.710 1.00 74.22 H new ATOM 0 HD22 LEU A 64 -10.662 17.392 -26.583 1.00 74.22 H new ATOM 0 HD23 LEU A 64 -10.390 18.891 -25.664 1.00 74.22 H new ATOM 967 N PHE A 65 -10.105 18.208 -21.266 1.00 42.41 N ATOM 968 CA PHE A 65 -9.454 19.306 -20.560 1.00 63.51 C ATOM 969 C PHE A 65 -8.937 18.876 -19.192 1.00 15.32 C ATOM 970 O PHE A 65 -8.070 19.536 -18.624 1.00 73.35 O ATOM 971 CB PHE A 65 -10.411 20.488 -20.374 1.00 50.44 C ATOM 972 CG PHE A 65 -10.729 21.256 -21.663 1.00 45.32 C ATOM 973 CD1 PHE A 65 -10.164 20.907 -22.927 1.00 21.32 C ATOM 974 CD2 PHE A 65 -11.610 22.352 -21.603 1.00 42.10 C ATOM 975 CE1 PHE A 65 -10.482 21.654 -24.086 1.00 23.32 C ATOM 976 CE2 PHE A 65 -11.935 23.089 -22.762 1.00 71.41 C ATOM 977 CZ PHE A 65 -11.365 22.753 -23.994 1.00 23.21 C ATOM 0 H PHE A 65 -11.123 18.267 -21.305 1.00 42.41 H new ATOM 0 HA PHE A 65 -8.609 19.610 -21.178 1.00 63.51 H new ATOM 0 HB2 PHE A 65 -11.343 20.121 -19.945 1.00 50.44 H new ATOM 0 HB3 PHE A 65 -9.978 21.180 -19.651 1.00 50.44 H new ATOM 0 HD1 PHE A 65 -9.489 20.067 -22.999 1.00 21.32 H new ATOM 0 HD2 PHE A 65 -12.044 22.634 -20.655 1.00 42.10 H new ATOM 0 HE1 PHE A 65 -10.051 21.385 -25.039 1.00 23.32 H new ATOM 0 HE2 PHE A 65 -12.627 23.916 -22.697 1.00 71.41 H new ATOM 0 HZ PHE A 65 -11.600 23.333 -24.874 1.00 23.21 H new ATOM 987 N SER A 66 -9.454 17.789 -18.648 1.00 15.41 N ATOM 988 CA SER A 66 -8.979 17.295 -17.342 1.00 12.40 C ATOM 989 C SER A 66 -7.589 16.691 -17.488 1.00 12.40 C ATOM 990 O SER A 66 -6.802 16.663 -16.554 1.00 53.22 O ATOM 991 CB SER A 66 -9.932 16.235 -16.772 1.00 70.23 C ATOM 992 OG SER A 66 -11.212 16.799 -16.543 1.00 55.12 O ATOM 0 H SER A 66 -10.193 17.229 -19.073 1.00 15.41 H new ATOM 0 HA SER A 66 -8.945 18.141 -16.656 1.00 12.40 H new ATOM 0 HB2 SER A 66 -10.014 15.399 -17.466 1.00 70.23 H new ATOM 0 HB3 SER A 66 -9.530 15.838 -15.840 1.00 70.23 H new ATOM 0 HG SER A 66 -11.668 16.934 -17.400 1.00 55.12 H new ATOM 998 N SER A 67 -7.318 16.171 -18.674 1.00 62.21 N ATOM 999 CA SER A 67 -6.054 15.508 -18.965 1.00 5.44 C ATOM 1000 C SER A 67 -5.818 15.522 -20.483 1.00 23.23 C ATOM 1001 O SER A 67 -6.273 14.619 -21.195 1.00 5.25 O ATOM 1002 CB SER A 67 -6.121 14.073 -18.450 1.00 2.43 C ATOM 1003 OG SER A 67 -7.327 13.466 -18.904 1.00 4.13 O ATOM 0 H SER A 67 -7.966 16.196 -19.462 1.00 62.21 H new ATOM 0 HA SER A 67 -5.230 16.026 -18.475 1.00 5.44 H new ATOM 0 HB2 SER A 67 -5.260 13.507 -18.804 1.00 2.43 H new ATOM 0 HB3 SER A 67 -6.083 14.063 -17.361 1.00 2.43 H new ATOM 0 HG SER A 67 -7.417 13.601 -19.871 1.00 4.13 H new ATOM 1009 N PRO A 68 -5.141 16.571 -21.005 1.00 50.54 N ATOM 1010 CA PRO A 68 -4.975 16.748 -22.465 1.00 74.20 C ATOM 1011 C PRO A 68 -3.885 15.888 -23.126 1.00 30.00 C ATOM 1012 O PRO A 68 -3.247 16.337 -24.077 1.00 73.03 O ATOM 1013 CB PRO A 68 -4.661 18.242 -22.574 1.00 42.22 C ATOM 1014 CG PRO A 68 -3.879 18.520 -21.368 1.00 43.21 C ATOM 1015 CD PRO A 68 -4.557 17.719 -20.274 1.00 11.33 C ATOM 0 HA PRO A 68 -5.864 16.418 -23.003 1.00 74.20 H new ATOM 0 HB2 PRO A 68 -4.096 18.468 -23.479 1.00 42.22 H new ATOM 0 HB3 PRO A 68 -5.571 18.841 -22.608 1.00 42.22 H new ATOM 0 HG2 PRO A 68 -2.839 18.218 -21.493 1.00 43.21 H new ATOM 0 HG3 PRO A 68 -3.876 19.585 -21.135 1.00 43.21 H new ATOM 0 HD2 PRO A 68 -3.846 17.393 -19.515 1.00 11.33 H new ATOM 0 HD3 PRO A 68 -5.323 18.303 -19.764 1.00 11.33 H new ATOM 1023 N THR A 69 -3.685 14.670 -22.649 1.00 43.12 N ATOM 1024 CA THR A 69 -2.693 13.745 -23.218 1.00 44.41 C ATOM 1025 C THR A 69 -3.469 12.525 -23.604 1.00 63.14 C ATOM 1026 O THR A 69 -4.456 12.223 -22.959 1.00 10.40 O ATOM 1027 CB THR A 69 -1.595 13.359 -22.209 1.00 71.43 C ATOM 1028 OG1 THR A 69 -2.191 12.894 -21.002 1.00 64.13 O ATOM 1029 CG2 THR A 69 -0.746 14.539 -21.858 1.00 3.13 C ATOM 0 H THR A 69 -4.201 14.286 -21.857 1.00 43.12 H new ATOM 0 HA THR A 69 -2.179 14.213 -24.058 1.00 44.41 H new ATOM 0 HB THR A 69 -0.983 12.585 -22.673 1.00 71.43 H new ATOM 0 HG1 THR A 69 -1.489 12.648 -20.364 1.00 64.13 H new ATOM 0 HG21 THR A 69 0.020 14.236 -21.144 1.00 3.13 H new ATOM 0 HG22 THR A 69 -0.270 14.926 -22.759 1.00 3.13 H new ATOM 0 HG23 THR A 69 -1.369 15.316 -21.414 1.00 3.13 H new ATOM 1037 N PRO A 70 -3.046 11.790 -24.651 1.00 14.10 N ATOM 1038 CA PRO A 70 -3.854 10.614 -25.021 1.00 72.20 C ATOM 1039 C PRO A 70 -4.033 9.565 -23.900 1.00 20.03 C ATOM 1040 O PRO A 70 -5.146 9.063 -23.705 1.00 4.02 O ATOM 1041 CB PRO A 70 -3.099 10.051 -26.224 1.00 34.35 C ATOM 1042 CG PRO A 70 -1.811 10.642 -26.206 1.00 32.04 C ATOM 1043 CD PRO A 70 -1.894 11.957 -25.550 1.00 62.42 C ATOM 0 HA PRO A 70 -4.887 10.892 -25.232 1.00 72.20 H new ATOM 0 HB2 PRO A 70 -3.028 8.965 -26.163 1.00 34.35 H new ATOM 0 HB3 PRO A 70 -3.620 10.285 -27.153 1.00 34.35 H new ATOM 0 HG2 PRO A 70 -1.110 10.000 -25.673 1.00 32.04 H new ATOM 0 HG3 PRO A 70 -1.433 10.752 -27.223 1.00 32.04 H new ATOM 0 HD2 PRO A 70 -0.982 12.196 -25.002 1.00 62.42 H new ATOM 0 HD3 PRO A 70 -2.053 12.760 -26.269 1.00 62.42 H new ATOM 1051 N ALA A 71 -3.004 9.254 -23.129 1.00 32.40 N ATOM 1052 CA ALA A 71 -3.169 8.319 -22.013 1.00 11.41 C ATOM 1053 C ALA A 71 -4.038 8.931 -20.926 1.00 52.03 C ATOM 1054 O ALA A 71 -4.829 8.250 -20.285 1.00 60.34 O ATOM 1055 CB ALA A 71 -1.790 7.921 -21.446 1.00 2.31 C ATOM 0 H ALA A 71 -2.060 9.623 -23.246 1.00 32.40 H new ATOM 0 HA ALA A 71 -3.667 7.422 -22.381 1.00 11.41 H new ATOM 0 HB1 ALA A 71 -1.924 7.226 -20.617 1.00 2.31 H new ATOM 0 HB2 ALA A 71 -1.199 7.444 -22.228 1.00 2.31 H new ATOM 0 HB3 ALA A 71 -1.271 8.812 -21.092 1.00 2.31 H new ATOM 1061 N GLY A 72 -3.892 10.235 -20.736 1.00 52.11 N ATOM 1062 CA GLY A 72 -4.682 10.933 -19.750 1.00 23.11 C ATOM 1063 C GLY A 72 -6.158 10.835 -20.075 1.00 53.55 C ATOM 1064 O GLY A 72 -6.968 10.456 -19.228 1.00 24.10 O ATOM 0 H GLY A 72 -3.236 10.822 -21.252 1.00 52.11 H new ATOM 0 HA2 GLY A 72 -4.494 10.512 -18.762 1.00 23.11 H new ATOM 0 HA3 GLY A 72 -4.382 11.980 -19.712 1.00 23.11 H new ATOM 1068 N VAL A 73 -6.513 11.113 -21.317 1.00 44.55 N ATOM 1069 CA VAL A 73 -7.902 11.034 -21.763 1.00 33.33 C ATOM 1070 C VAL A 73 -8.444 9.623 -21.540 1.00 3.04 C ATOM 1071 O VAL A 73 -9.554 9.464 -21.036 1.00 55.51 O ATOM 1072 CB VAL A 73 -8.046 11.419 -23.277 1.00 23.14 C ATOM 1073 CG1 VAL A 73 -9.464 11.168 -23.790 1.00 22.12 C ATOM 1074 CG2 VAL A 73 -7.707 12.888 -23.500 1.00 5.43 C ATOM 0 H VAL A 73 -5.856 11.398 -22.043 1.00 44.55 H new ATOM 0 HA VAL A 73 -8.479 11.748 -21.175 1.00 33.33 H new ATOM 0 HB VAL A 73 -7.348 10.788 -23.827 1.00 23.14 H new ATOM 0 HG11 VAL A 73 -9.525 11.446 -24.842 1.00 22.12 H new ATOM 0 HG12 VAL A 73 -9.709 10.112 -23.679 1.00 22.12 H new ATOM 0 HG13 VAL A 73 -10.170 11.767 -23.215 1.00 22.12 H new ATOM 0 HG21 VAL A 73 -7.814 13.130 -24.557 1.00 5.43 H new ATOM 0 HG22 VAL A 73 -8.384 13.511 -22.915 1.00 5.43 H new ATOM 0 HG23 VAL A 73 -6.680 13.076 -23.187 1.00 5.43 H new ATOM 1084 N ALA A 74 -7.640 8.607 -21.845 1.00 24.21 N ATOM 1085 CA ALA A 74 -8.042 7.220 -21.614 1.00 64.54 C ATOM 1086 C ALA A 74 -8.383 6.971 -20.138 1.00 44.20 C ATOM 1087 O ALA A 74 -9.392 6.374 -19.829 1.00 13.43 O ATOM 1088 CB ALA A 74 -6.933 6.262 -22.059 1.00 34.23 C ATOM 0 H ALA A 74 -6.711 8.716 -22.251 1.00 24.21 H new ATOM 0 HA ALA A 74 -8.938 7.035 -22.206 1.00 64.54 H new ATOM 0 HB1 ALA A 74 -7.247 5.234 -21.881 1.00 34.23 H new ATOM 0 HB2 ALA A 74 -6.736 6.402 -23.122 1.00 34.23 H new ATOM 0 HB3 ALA A 74 -6.025 6.468 -21.492 1.00 34.23 H new ATOM 1094 N ARG A 75 -7.560 7.470 -19.229 1.00 62.12 N ATOM 1095 CA ARG A 75 -7.828 7.272 -17.820 1.00 71.31 C ATOM 1096 C ARG A 75 -9.046 8.063 -17.360 1.00 53.00 C ATOM 1097 O ARG A 75 -9.805 7.596 -16.490 1.00 52.54 O ATOM 1098 CB ARG A 75 -6.615 7.665 -16.973 1.00 21.32 C ATOM 1099 CG ARG A 75 -5.370 6.839 -17.260 1.00 72.41 C ATOM 1100 CD ARG A 75 -4.360 6.952 -16.147 1.00 12.32 C ATOM 1101 NE ARG A 75 -4.776 6.164 -14.969 1.00 74.12 N ATOM 1102 CZ ARG A 75 -4.570 4.855 -14.806 1.00 21.42 C ATOM 1103 NH1 ARG A 75 -3.921 4.141 -15.684 1.00 50.01 N ATOM 1104 NH2 ARG A 75 -5.026 4.276 -13.738 1.00 62.10 N ATOM 0 H ARG A 75 -6.717 8.005 -19.439 1.00 62.12 H new ATOM 0 HA ARG A 75 -8.035 6.211 -17.683 1.00 71.31 H new ATOM 0 HB2 ARG A 75 -6.389 8.717 -17.146 1.00 21.32 H new ATOM 0 HB3 ARG A 75 -6.872 7.563 -15.919 1.00 21.32 H new ATOM 0 HG2 ARG A 75 -5.649 5.794 -17.394 1.00 72.41 H new ATOM 0 HG3 ARG A 75 -4.920 7.171 -18.196 1.00 72.41 H new ATOM 0 HD2 ARG A 75 -3.388 6.603 -16.497 1.00 12.32 H new ATOM 0 HD3 ARG A 75 -4.241 7.998 -15.865 1.00 12.32 H new ATOM 0 HE ARG A 75 -5.259 6.660 -14.220 1.00 74.12 H new ATOM 0 HH11 ARG A 75 -3.553 4.581 -16.527 1.00 50.01 H new ATOM 0 HH12 ARG A 75 -3.782 3.143 -15.527 1.00 50.01 H new ATOM 0 HH21 ARG A 75 -5.533 4.820 -13.040 1.00 62.10 H new ATOM 0 HH22 ARG A 75 -4.878 3.277 -13.597 1.00 62.10 H new ATOM 1118 N ALA A 76 -9.217 9.272 -17.872 1.00 11.13 N ATOM 1119 CA ALA A 76 -10.307 10.142 -17.437 1.00 51.13 C ATOM 1120 C ALA A 76 -11.670 9.578 -17.846 1.00 4.34 C ATOM 1121 O ALA A 76 -12.635 9.641 -17.080 1.00 41.41 O ATOM 1122 CB ALA A 76 -10.089 11.545 -18.003 1.00 63.43 C ATOM 0 H ALA A 76 -8.616 9.676 -18.590 1.00 11.13 H new ATOM 0 HA ALA A 76 -10.305 10.196 -16.348 1.00 51.13 H new ATOM 0 HB1 ALA A 76 -10.900 12.198 -17.681 1.00 63.43 H new ATOM 0 HB2 ALA A 76 -9.140 11.940 -17.641 1.00 63.43 H new ATOM 0 HB3 ALA A 76 -10.071 11.499 -19.092 1.00 63.43 H new ATOM 1128 N LEU A 77 -11.764 9.038 -19.042 1.00 50.44 N ATOM 1129 CA LEU A 77 -13.026 8.469 -19.523 1.00 24.33 C ATOM 1130 C LEU A 77 -13.264 7.106 -18.858 1.00 2.41 C ATOM 1131 O LEU A 77 -14.399 6.768 -18.526 1.00 43.01 O ATOM 1132 CB LEU A 77 -13.040 8.395 -21.056 1.00 42.33 C ATOM 1133 CG LEU A 77 -12.137 7.378 -21.773 1.00 52.35 C ATOM 1134 CD1 LEU A 77 -12.822 5.972 -21.933 1.00 43.34 C ATOM 1135 CD2 LEU A 77 -11.739 7.882 -23.140 1.00 43.23 C ATOM 0 H LEU A 77 -10.991 8.976 -19.704 1.00 50.44 H new ATOM 0 HA LEU A 77 -13.854 9.120 -19.241 1.00 24.33 H new ATOM 0 HB2 LEU A 77 -14.066 8.195 -21.364 1.00 42.33 H new ATOM 0 HB3 LEU A 77 -12.781 9.384 -21.433 1.00 42.33 H new ATOM 0 HG LEU A 77 -11.254 7.261 -21.145 1.00 52.35 H new ATOM 0 HD11 LEU A 77 -12.142 5.292 -22.445 1.00 43.34 H new ATOM 0 HD12 LEU A 77 -13.063 5.571 -20.949 1.00 43.34 H new ATOM 0 HD13 LEU A 77 -13.737 6.077 -22.516 1.00 43.34 H new ATOM 0 HD21 LEU A 77 -11.100 7.145 -23.628 1.00 43.23 H new ATOM 0 HD22 LEU A 77 -12.633 8.043 -23.743 1.00 43.23 H new ATOM 0 HD23 LEU A 77 -11.196 8.822 -23.038 1.00 43.23 H new