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 25:sc= 0.413 USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= 0.518 (180deg=0.062) USER MOD Single : A 16 CYS SG : rot 72:sc= 0.35 USER MOD Single : A 19 TYR OH : rot -174:sc= 1.11 USER MOD Single : A 35 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.18) USER MOD Single : A 40 SER OG : rot 180:sc= 0.158 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00674 USER MOD Single : A 45 MET CE :methyl 139:sc= -0.096 (180deg=-0.699) USER MOD Single : A 63 GLN : amide:sc= -0.255 K(o=-0.26,f=-0.94) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.392 0.780 -26.600 1.00 24.13 N ATOM 128 CA THR A 11 -8.109 2.018 -26.956 1.00 51.43 C ATOM 129 C THR A 11 -7.158 3.203 -27.032 1.00 23.12 C ATOM 130 O THR A 11 -7.318 4.093 -27.855 1.00 43.54 O ATOM 131 CB THR A 11 -9.192 2.312 -25.906 1.00 53.31 C ATOM 132 OG1 THR A 11 -9.867 1.085 -25.572 1.00 51.25 O ATOM 133 CG2 THR A 11 -10.231 3.298 -26.418 1.00 35.31 C ATOM 0 HA THR A 11 -8.564 1.872 -27.935 1.00 51.43 H new ATOM 0 HB THR A 11 -8.699 2.748 -25.037 1.00 53.31 H new ATOM 0 HG1 THR A 11 -9.276 0.326 -25.756 1.00 51.25 H new ATOM 0 HG21 THR A 11 -10.977 3.476 -25.643 1.00 35.31 H new ATOM 0 HG22 THR A 11 -9.744 4.238 -26.676 1.00 35.31 H new ATOM 0 HG23 THR A 11 -10.718 2.887 -27.302 1.00 35.31 H new ATOM 141 N GLU A 12 -6.176 3.216 -26.140 1.00 13.31 N ATOM 142 CA GLU A 12 -5.228 4.325 -26.065 1.00 12.15 C ATOM 143 C GLU A 12 -4.481 4.518 -27.359 1.00 64.52 C ATOM 144 O GLU A 12 -4.128 5.599 -27.715 1.00 15.23 O ATOM 145 CB GLU A 12 -4.183 4.069 -24.978 1.00 64.40 C ATOM 146 CG GLU A 12 -4.735 3.801 -23.595 1.00 3.52 C ATOM 147 CD GLU A 12 -3.639 3.349 -22.647 1.00 61.12 C ATOM 148 OE1 GLU A 12 -2.452 3.325 -23.057 1.00 63.14 O ATOM 149 OE2 GLU A 12 -3.980 2.883 -21.537 1.00 54.55 O ATOM 0 H GLU A 12 -6.014 2.474 -25.459 1.00 13.31 H new ATOM 0 HA GLU A 12 -5.818 5.214 -25.843 1.00 12.15 H new ATOM 0 HB2 GLU A 12 -3.573 3.217 -25.278 1.00 64.40 H new ATOM 0 HB3 GLU A 12 -3.520 4.933 -24.925 1.00 64.40 H new ATOM 0 HG2 GLU A 12 -5.206 4.704 -23.207 1.00 3.52 H new ATOM 0 HG3 GLU A 12 -5.510 3.036 -23.651 1.00 3.52 H new ATOM 156 N LYS A 13 -4.163 3.433 -28.010 1.00 65.42 N ATOM 157 CA LYS A 13 -3.278 3.465 -29.149 1.00 23.25 C ATOM 158 C LYS A 13 -3.935 4.026 -30.364 1.00 15.15 C ATOM 159 O LYS A 13 -3.296 4.730 -31.121 1.00 4.21 O ATOM 160 CB LYS A 13 -2.819 2.065 -29.436 1.00 1.51 C ATOM 161 CG LYS A 13 -2.560 1.261 -28.097 1.00 21.22 C ATOM 162 CD LYS A 13 -1.369 1.884 -27.360 1.00 41.32 C ATOM 163 CE LYS A 13 -1.138 1.158 -25.996 1.00 23.34 C ATOM 164 NZ LYS A 13 -0.446 2.046 -24.949 1.00 63.54 N ATOM 0 H LYS A 13 -4.507 2.503 -27.770 1.00 65.42 H new ATOM 0 HA LYS A 13 -2.437 4.115 -28.906 1.00 23.25 H new ATOM 0 HB2 LYS A 13 -3.570 1.549 -30.034 1.00 1.51 H new ATOM 0 HB3 LYS A 13 -1.905 2.094 -30.029 1.00 1.51 H new ATOM 0 HG2 LYS A 13 -3.448 1.286 -27.465 1.00 21.22 H new ATOM 0 HG3 LYS A 13 -2.358 0.214 -28.321 1.00 21.22 H new ATOM 0 HD2 LYS A 13 -0.472 1.811 -27.976 1.00 41.32 H new ATOM 0 HD3 LYS A 13 -1.552 2.945 -27.189 1.00 41.32 H new ATOM 0 HE2 LYS A 13 -2.098 0.823 -25.602 1.00 23.34 H new ATOM 0 HE3 LYS A 13 -0.534 0.266 -26.164 1.00 23.34 H new ATOM 0 HZ1 LYS A 13 0.212 1.470 -24.386 1.00 63.54 H new ATOM 0 HZ2 LYS A 13 0.080 2.803 -25.430 1.00 63.54 H new ATOM 0 HZ3 LYS A 13 -1.162 2.466 -24.322 1.00 63.54 H new ATOM 178 N VAL A 14 -5.243 3.792 -30.460 1.00 64.25 N ATOM 179 CA VAL A 14 -6.020 4.381 -31.529 1.00 53.42 C ATOM 180 C VAL A 14 -6.067 5.886 -31.274 1.00 44.40 C ATOM 181 O VAL A 14 -5.851 6.676 -32.173 1.00 53.12 O ATOM 182 CB VAL A 14 -7.450 3.783 -31.571 1.00 24.53 C ATOM 183 CG1 VAL A 14 -8.268 4.435 -32.726 1.00 61.24 C ATOM 184 CG2 VAL A 14 -7.433 2.277 -31.758 1.00 24.21 C ATOM 0 H VAL A 14 -5.774 3.206 -29.816 1.00 64.25 H new ATOM 0 HA VAL A 14 -5.563 4.169 -32.495 1.00 53.42 H new ATOM 0 HB VAL A 14 -7.918 3.999 -30.611 1.00 24.53 H new ATOM 0 HG11 VAL A 14 -9.271 4.008 -32.747 1.00 61.24 H new ATOM 0 HG12 VAL A 14 -8.335 5.511 -32.563 1.00 61.24 H new ATOM 0 HG13 VAL A 14 -7.772 4.243 -33.677 1.00 61.24 H new ATOM 0 HG21 VAL A 14 -8.456 1.902 -31.782 1.00 24.21 H new ATOM 0 HG22 VAL A 14 -6.935 2.032 -32.696 1.00 24.21 H new ATOM 0 HG23 VAL A 14 -6.896 1.814 -30.931 1.00 24.21 H new ATOM 194 N LEU A 15 -6.365 6.273 -30.041 1.00 4.12 N ATOM 195 CA LEU A 15 -6.431 7.675 -29.661 1.00 35.10 C ATOM 196 C LEU A 15 -5.102 8.390 -29.855 1.00 21.12 C ATOM 197 O LEU A 15 -5.063 9.517 -30.304 1.00 50.53 O ATOM 198 CB LEU A 15 -6.838 7.758 -28.204 1.00 40.05 C ATOM 199 CG LEU A 15 -8.247 7.277 -27.897 1.00 74.13 C ATOM 200 CD1 LEU A 15 -8.287 6.974 -26.424 1.00 21.13 C ATOM 201 CD2 LEU A 15 -9.314 8.273 -28.307 1.00 15.12 C ATOM 0 H LEU A 15 -6.567 5.625 -29.279 1.00 4.12 H new ATOM 0 HA LEU A 15 -7.160 8.168 -30.304 1.00 35.10 H new ATOM 0 HB2 LEU A 15 -6.134 7.172 -27.613 1.00 40.05 H new ATOM 0 HB3 LEU A 15 -6.745 8.793 -27.876 1.00 40.05 H new ATOM 0 HG LEU A 15 -8.474 6.386 -28.482 1.00 74.13 H new ATOM 0 HD11 LEU A 15 -9.282 6.623 -26.152 1.00 21.13 H new ATOM 0 HD12 LEU A 15 -7.554 6.202 -26.191 1.00 21.13 H new ATOM 0 HD13 LEU A 15 -8.054 7.877 -25.860 1.00 21.13 H new ATOM 0 HD21 LEU A 15 -10.298 7.873 -28.062 1.00 15.12 H new ATOM 0 HD22 LEU A 15 -9.160 9.211 -27.773 1.00 15.12 H new ATOM 0 HD23 LEU A 15 -9.252 8.452 -29.380 1.00 15.12 H new ATOM 213 N CYS A 16 -4.008 7.712 -29.555 1.00 64.43 N ATOM 214 CA CYS A 16 -2.679 8.259 -29.800 1.00 42.22 C ATOM 215 C CYS A 16 -2.480 8.597 -31.281 1.00 43.13 C ATOM 216 O CYS A 16 -2.013 9.672 -31.616 1.00 72.23 O ATOM 217 CB CYS A 16 -1.594 7.261 -29.374 1.00 73.51 C ATOM 218 SG CYS A 16 -1.348 7.099 -27.583 1.00 54.21 S ATOM 0 H CYS A 16 -4.011 6.780 -29.141 1.00 64.43 H new ATOM 0 HA CYS A 16 -2.594 9.171 -29.210 1.00 42.22 H new ATOM 0 HB2 CYS A 16 -1.846 6.281 -29.779 1.00 73.51 H new ATOM 0 HB3 CYS A 16 -0.650 7.561 -29.828 1.00 73.51 H new ATOM 0 HG CYS A 16 -2.356 6.464 -27.062 1.00 54.21 H new ATOM 224 N ALA A 17 -2.857 7.704 -32.179 1.00 61.15 N ATOM 225 CA ALA A 17 -2.699 7.986 -33.608 1.00 14.21 C ATOM 226 C ALA A 17 -3.623 9.135 -34.035 1.00 1.11 C ATOM 227 O ALA A 17 -3.250 10.003 -34.806 1.00 52.32 O ATOM 228 CB ALA A 17 -2.989 6.721 -34.434 1.00 0.01 C ATOM 0 H ALA A 17 -3.266 6.796 -31.959 1.00 61.15 H new ATOM 0 HA ALA A 17 -1.669 8.291 -33.792 1.00 14.21 H new ATOM 0 HB1 ALA A 17 -2.868 6.943 -35.494 1.00 0.01 H new ATOM 0 HB2 ALA A 17 -2.294 5.932 -34.147 1.00 0.01 H new ATOM 0 HB3 ALA A 17 -4.011 6.390 -34.247 1.00 0.01 H new ATOM 234 N LEU A 18 -4.811 9.154 -33.464 1.00 31.40 N ATOM 235 CA LEU A 18 -5.809 10.203 -33.730 1.00 60.51 C ATOM 236 C LEU A 18 -5.269 11.567 -33.270 1.00 2.43 C ATOM 237 O LEU A 18 -5.535 12.570 -33.917 1.00 72.42 O ATOM 238 CB LEU A 18 -7.096 9.862 -33.028 1.00 64.32 C ATOM 239 CG LEU A 18 -8.177 9.265 -33.924 1.00 12.31 C ATOM 240 CD1 LEU A 18 -7.734 8.054 -34.725 1.00 34.25 C ATOM 241 CD2 LEU A 18 -9.342 8.885 -33.050 1.00 52.44 C ATOM 0 H LEU A 18 -5.124 8.447 -32.799 1.00 31.40 H new ATOM 0 HA LEU A 18 -6.006 10.262 -34.800 1.00 60.51 H new ATOM 0 HB2 LEU A 18 -6.879 9.157 -32.225 1.00 64.32 H new ATOM 0 HB3 LEU A 18 -7.489 10.765 -32.562 1.00 64.32 H new ATOM 0 HG LEU A 18 -8.438 10.024 -34.662 1.00 12.31 H new ATOM 0 HD11 LEU A 18 -8.565 7.696 -35.333 1.00 34.25 H new ATOM 0 HD12 LEU A 18 -6.903 8.331 -35.374 1.00 34.25 H new ATOM 0 HD13 LEU A 18 -7.416 7.264 -34.045 1.00 34.25 H new ATOM 0 HD21 LEU A 18 -10.133 8.454 -33.664 1.00 52.44 H new ATOM 0 HD22 LEU A 18 -9.018 8.153 -32.310 1.00 52.44 H new ATOM 0 HD23 LEU A 18 -9.720 9.772 -32.542 1.00 52.44 H new ATOM 253 N TYR A 19 -4.517 11.624 -32.178 1.00 1.32 N ATOM 254 CA TYR A 19 -3.951 12.875 -31.718 1.00 0.01 C ATOM 255 C TYR A 19 -3.029 13.402 -32.817 1.00 44.14 C ATOM 256 O TYR A 19 -3.059 14.595 -33.118 1.00 42.04 O ATOM 257 CB TYR A 19 -3.108 12.677 -30.462 1.00 53.44 C ATOM 258 CG TYR A 19 -3.801 12.922 -29.132 1.00 65.24 C ATOM 259 CD1 TYR A 19 -5.081 12.400 -28.870 1.00 62.30 C ATOM 260 CD2 TYR A 19 -3.146 13.637 -28.094 1.00 34.54 C ATOM 261 CE1 TYR A 19 -5.720 12.595 -27.607 1.00 74.21 C ATOM 262 CE2 TYR A 19 -3.795 13.843 -26.845 1.00 72.54 C ATOM 263 CZ TYR A 19 -5.080 13.333 -26.623 1.00 4.14 C ATOM 264 OH TYR A 19 -5.695 13.566 -25.419 1.00 70.13 O ATOM 0 H TYR A 19 -4.288 10.817 -31.598 1.00 1.32 H new ATOM 0 HA TYR A 19 -4.764 13.565 -31.491 1.00 0.01 H new ATOM 0 HB2 TYR A 19 -2.727 11.656 -30.465 1.00 53.44 H new ATOM 0 HB3 TYR A 19 -2.244 13.339 -30.523 1.00 53.44 H new ATOM 0 HD1 TYR A 19 -5.591 11.840 -29.640 1.00 62.30 H new ATOM 0 HD2 TYR A 19 -2.151 14.026 -28.254 1.00 34.54 H new ATOM 0 HE1 TYR A 19 -6.695 12.170 -27.420 1.00 74.21 H new ATOM 0 HE2 TYR A 19 -3.294 14.396 -26.064 1.00 72.54 H new ATOM 0 HH TYR A 19 -5.146 14.177 -24.884 1.00 70.13 H new ATOM 274 N ALA A 20 -2.205 12.540 -33.418 1.00 53.13 N ATOM 275 CA ALA A 20 -1.259 12.996 -34.421 1.00 52.04 C ATOM 276 C ALA A 20 -1.916 13.620 -35.656 1.00 14.43 C ATOM 277 O ALA A 20 -1.465 14.656 -36.162 1.00 35.11 O ATOM 278 CB ALA A 20 -0.403 11.788 -34.905 1.00 51.03 C ATOM 0 H ALA A 20 -2.178 11.538 -33.227 1.00 53.13 H new ATOM 0 HA ALA A 20 -0.659 13.768 -33.939 1.00 52.04 H new ATOM 0 HB1 ALA A 20 0.309 12.125 -35.658 1.00 51.03 H new ATOM 0 HB2 ALA A 20 0.138 11.363 -34.059 1.00 51.03 H new ATOM 0 HB3 ALA A 20 -1.056 11.029 -35.337 1.00 51.03 H new ATOM 284 N GLU A 21 -3.003 13.028 -36.095 1.00 14.22 N ATOM 285 CA GLU A 21 -3.774 13.519 -37.264 1.00 73.41 C ATOM 286 C GLU A 21 -4.349 14.917 -37.031 1.00 31.55 C ATOM 287 O GLU A 21 -4.486 15.728 -37.953 1.00 32.13 O ATOM 288 CB GLU A 21 -4.946 12.564 -37.525 1.00 30.33 C ATOM 289 CG GLU A 21 -4.521 11.195 -38.074 1.00 4.24 C ATOM 290 CD GLU A 21 -4.082 11.275 -39.514 1.00 11.31 C ATOM 291 OE1 GLU A 21 -4.933 11.629 -40.358 1.00 44.45 O ATOM 292 OE2 GLU A 21 -2.903 11.009 -39.807 1.00 55.45 O ATOM 0 H GLU A 21 -3.396 12.190 -35.666 1.00 14.22 H new ATOM 0 HA GLU A 21 -3.091 13.562 -38.112 1.00 73.41 H new ATOM 0 HB2 GLU A 21 -5.496 12.417 -36.596 1.00 30.33 H new ATOM 0 HB3 GLU A 21 -5.632 13.031 -38.231 1.00 30.33 H new ATOM 0 HG2 GLU A 21 -3.706 10.799 -37.468 1.00 4.24 H new ATOM 0 HG3 GLU A 21 -5.352 10.496 -37.987 1.00 4.24 H new ATOM 299 N ILE A 22 -4.738 15.159 -35.805 1.00 24.04 N ATOM 300 CA ILE A 22 -5.386 16.394 -35.444 1.00 21.34 C ATOM 301 C ILE A 22 -4.392 17.509 -35.079 1.00 10.44 C ATOM 302 O ILE A 22 -4.600 18.672 -35.397 1.00 10.04 O ATOM 303 CB ILE A 22 -6.331 16.109 -34.187 1.00 51.42 C ATOM 304 CG1 ILE A 22 -7.405 15.117 -34.611 1.00 72.43 C ATOM 305 CG2 ILE A 22 -6.962 17.416 -33.663 1.00 31.41 C ATOM 306 CD1 ILE A 22 -8.383 15.567 -35.689 1.00 52.34 C ATOM 0 H ILE A 22 -4.615 14.507 -35.030 1.00 24.04 H new ATOM 0 HA ILE A 22 -5.951 16.741 -36.309 1.00 21.34 H new ATOM 0 HB ILE A 22 -5.743 15.689 -33.371 1.00 51.42 H new ATOM 0 HG12 ILE A 22 -6.909 14.212 -34.962 1.00 72.43 H new ATOM 0 HG13 ILE A 22 -7.980 14.843 -33.726 1.00 72.43 H new ATOM 0 HG21 ILE A 22 -7.600 17.194 -32.808 1.00 31.41 H new ATOM 0 HG22 ILE A 22 -6.173 18.104 -33.359 1.00 31.41 H new ATOM 0 HG23 ILE A 22 -7.559 17.874 -34.452 1.00 31.41 H new ATOM 0 HD11 ILE A 22 -9.092 14.765 -35.894 1.00 52.34 H new ATOM 0 HD12 ILE A 22 -8.922 16.450 -35.345 1.00 52.34 H new ATOM 0 HD13 ILE A 22 -7.835 15.808 -36.600 1.00 52.34 H new ATOM 318 N LEU A 23 -3.318 17.138 -34.402 1.00 51.14 N ATOM 319 CA LEU A 23 -2.311 18.091 -33.923 1.00 4.02 C ATOM 320 C LEU A 23 -1.206 18.374 -34.940 1.00 2.23 C ATOM 321 O LEU A 23 -0.594 19.425 -34.888 1.00 5.41 O ATOM 322 CB LEU A 23 -1.668 17.553 -32.653 1.00 14.34 C ATOM 323 CG LEU A 23 -2.605 17.409 -31.456 1.00 34.52 C ATOM 324 CD1 LEU A 23 -1.987 16.505 -30.426 1.00 71.15 C ATOM 325 CD2 LEU A 23 -2.908 18.741 -30.794 1.00 70.00 C ATOM 0 H LEU A 23 -3.113 16.167 -34.165 1.00 51.14 H new ATOM 0 HA LEU A 23 -2.837 19.028 -33.743 1.00 4.02 H new ATOM 0 HB2 LEU A 23 -1.232 16.578 -32.871 1.00 14.34 H new ATOM 0 HB3 LEU A 23 -0.847 18.214 -32.373 1.00 14.34 H new ATOM 0 HG LEU A 23 -3.537 16.991 -31.837 1.00 34.52 H new ATOM 0 HD11 LEU A 23 -2.662 16.408 -29.576 1.00 71.15 H new ATOM 0 HD12 LEU A 23 -1.810 15.522 -30.863 1.00 71.15 H new ATOM 0 HD13 LEU A 23 -1.040 16.929 -30.091 1.00 71.15 H new ATOM 0 HD21 LEU A 23 -3.578 18.583 -29.949 1.00 70.00 H new ATOM 0 HD22 LEU A 23 -1.980 19.192 -30.442 1.00 70.00 H new ATOM 0 HD23 LEU A 23 -3.384 19.406 -31.515 1.00 70.00 H new ATOM 337 N GLY A 24 -0.935 17.432 -35.834 1.00 73.11 N ATOM 338 CA GLY A 24 0.128 17.614 -36.810 1.00 53.21 C ATOM 339 C GLY A 24 1.511 17.348 -36.242 1.00 53.30 C ATOM 340 O GLY A 24 2.489 17.952 -36.676 1.00 44.34 O ATOM 0 H GLY A 24 -1.431 16.544 -35.903 1.00 73.11 H new ATOM 0 HA2 GLY A 24 -0.045 16.948 -37.655 1.00 53.21 H new ATOM 0 HA3 GLY A 24 0.090 18.633 -37.194 1.00 53.21 H new ATOM 344 N VAL A 25 1.598 16.438 -35.281 1.00 31.22 N ATOM 345 CA VAL A 25 2.878 16.090 -34.652 1.00 72.35 C ATOM 346 C VAL A 25 3.325 14.713 -35.148 1.00 51.21 C ATOM 347 O VAL A 25 2.502 13.894 -35.545 1.00 73.33 O ATOM 348 CB VAL A 25 2.772 16.111 -33.091 1.00 44.44 C ATOM 349 CG1 VAL A 25 2.466 17.543 -32.603 1.00 54.32 C ATOM 350 CG2 VAL A 25 1.682 15.147 -32.586 1.00 20.22 C ATOM 0 H VAL A 25 0.798 15.922 -34.915 1.00 31.22 H new ATOM 0 HA VAL A 25 3.622 16.836 -34.933 1.00 72.35 H new ATOM 0 HB VAL A 25 3.729 15.782 -32.687 1.00 44.44 H new ATOM 0 HG11 VAL A 25 2.394 17.549 -31.515 1.00 54.32 H new ATOM 0 HG12 VAL A 25 3.266 18.213 -32.917 1.00 54.32 H new ATOM 0 HG13 VAL A 25 1.522 17.879 -33.031 1.00 54.32 H new ATOM 0 HG21 VAL A 25 1.636 15.187 -31.498 1.00 20.22 H new ATOM 0 HG22 VAL A 25 0.717 15.439 -33.001 1.00 20.22 H new ATOM 0 HG23 VAL A 25 1.920 14.131 -32.902 1.00 20.22 H new ATOM 360 N GLU A 26 4.630 14.473 -35.176 1.00 12.34 N ATOM 361 CA GLU A 26 5.161 13.220 -35.733 1.00 72.10 C ATOM 362 C GLU A 26 4.894 11.982 -34.894 1.00 63.02 C ATOM 363 O GLU A 26 4.706 10.881 -35.410 1.00 34.02 O ATOM 364 CB GLU A 26 6.671 13.317 -35.969 1.00 53.11 C ATOM 365 CG GLU A 26 7.537 13.790 -34.803 1.00 41.43 C ATOM 366 CD GLU A 26 9.026 13.636 -35.108 1.00 41.31 C ATOM 367 OE1 GLU A 26 9.550 14.391 -35.945 1.00 23.33 O ATOM 368 OE2 GLU A 26 9.661 12.716 -34.535 1.00 64.33 O ATOM 0 H GLU A 26 5.339 15.117 -34.826 1.00 12.34 H new ATOM 0 HA GLU A 26 4.619 13.099 -36.671 1.00 72.10 H new ATOM 0 HB2 GLU A 26 7.028 12.334 -36.276 1.00 53.11 H new ATOM 0 HB3 GLU A 26 6.838 13.993 -36.808 1.00 53.11 H new ATOM 0 HG2 GLU A 26 7.316 14.835 -34.586 1.00 41.43 H new ATOM 0 HG3 GLU A 26 7.287 13.219 -33.909 1.00 41.43 H new ATOM 375 N ARG A 27 4.953 12.154 -33.584 1.00 40.50 N ATOM 376 CA ARG A 27 4.785 11.039 -32.628 1.00 53.32 C ATOM 377 C ARG A 27 3.882 11.468 -31.506 1.00 44.12 C ATOM 378 O ARG A 27 3.780 12.672 -31.240 1.00 1.24 O ATOM 379 CB ARG A 27 6.135 10.636 -32.046 1.00 54.54 C ATOM 380 CG ARG A 27 7.078 10.043 -33.055 1.00 12.03 C ATOM 381 CD ARG A 27 8.464 9.957 -32.486 1.00 71.52 C ATOM 382 NE ARG A 27 9.416 10.147 -33.570 1.00 63.22 N ATOM 383 CZ ARG A 27 9.933 9.205 -34.335 1.00 11.42 C ATOM 384 NH1 ARG A 27 9.680 7.932 -34.151 1.00 74.24 N ATOM 385 NH2 ARG A 27 10.719 9.572 -35.309 1.00 31.41 N ATOM 0 H ARG A 27 5.117 13.058 -33.142 1.00 40.50 H new ATOM 0 HA ARG A 27 4.349 10.190 -33.155 1.00 53.32 H new ATOM 0 HB2 ARG A 27 6.603 11.512 -31.597 1.00 54.54 H new ATOM 0 HB3 ARG A 27 5.974 9.914 -31.245 1.00 54.54 H new ATOM 0 HG2 ARG A 27 6.734 9.050 -33.344 1.00 12.03 H new ATOM 0 HG3 ARG A 27 7.086 10.653 -33.958 1.00 12.03 H new ATOM 0 HD2 ARG A 27 8.607 10.717 -31.718 1.00 71.52 H new ATOM 0 HD3 ARG A 27 8.619 8.989 -32.010 1.00 71.52 H new ATOM 0 HE ARG A 27 9.713 11.105 -33.757 1.00 63.22 H new ATOM 0 HH11 ARG A 27 9.063 7.639 -33.394 1.00 74.24 H new ATOM 0 HH12 ARG A 27 10.100 7.235 -34.765 1.00 74.24 H new ATOM 0 HH21 ARG A 27 10.917 10.561 -35.460 1.00 31.41 H new ATOM 0 HH22 ARG A 27 11.136 8.870 -35.920 1.00 31.41 H new ATOM 399 N VAL A 28 3.249 10.507 -30.866 1.00 64.12 N ATOM 400 CA VAL A 28 2.360 10.770 -29.726 1.00 41.55 C ATOM 401 C VAL A 28 2.662 9.798 -28.622 1.00 2.32 C ATOM 402 O VAL A 28 2.696 8.589 -28.825 1.00 3.51 O ATOM 403 CB VAL A 28 0.889 10.670 -30.175 1.00 71.44 C ATOM 404 CG1 VAL A 28 -0.060 11.005 -29.018 1.00 23.52 C ATOM 405 CG2 VAL A 28 0.591 11.588 -31.353 1.00 41.53 C ATOM 0 H VAL A 28 3.328 9.520 -31.111 1.00 64.12 H new ATOM 0 HA VAL A 28 2.528 11.779 -29.350 1.00 41.55 H new ATOM 0 HB VAL A 28 0.726 9.640 -30.492 1.00 71.44 H new ATOM 0 HG11 VAL A 28 -1.092 10.927 -29.360 1.00 23.52 H new ATOM 0 HG12 VAL A 28 0.104 10.305 -28.198 1.00 23.52 H new ATOM 0 HG13 VAL A 28 0.132 12.021 -28.672 1.00 23.52 H new ATOM 0 HG21 VAL A 28 -0.456 11.486 -31.638 1.00 41.53 H new ATOM 0 HG22 VAL A 28 0.791 12.621 -31.069 1.00 41.53 H new ATOM 0 HG23 VAL A 28 1.224 11.314 -32.197 1.00 41.53 H new ATOM 415 N GLY A 29 2.825 10.317 -27.407 1.00 51.32 N ATOM 416 CA GLY A 29 3.040 9.484 -26.223 1.00 31.12 C ATOM 417 C GLY A 29 1.705 9.159 -25.555 1.00 42.11 C ATOM 418 O GLY A 29 0.670 9.745 -25.891 1.00 1.31 O ATOM 0 H GLY A 29 2.812 11.319 -27.215 1.00 51.32 H new ATOM 0 HA2 GLY A 29 3.547 8.562 -26.506 1.00 31.12 H new ATOM 0 HA3 GLY A 29 3.691 10.002 -25.518 1.00 31.12 H new ATOM 422 N VAL A 30 1.720 8.253 -24.602 1.00 74.04 N ATOM 423 CA VAL A 30 0.488 7.913 -23.880 1.00 71.22 C ATOM 424 C VAL A 30 0.123 9.037 -22.900 1.00 60.44 C ATOM 425 O VAL A 30 -0.998 9.187 -22.500 1.00 4.21 O ATOM 426 CB VAL A 30 0.678 6.582 -23.051 1.00 14.12 C ATOM 427 CG1 VAL A 30 0.233 5.369 -23.880 1.00 24.24 C ATOM 428 CG2 VAL A 30 2.115 6.411 -22.543 1.00 32.13 C ATOM 0 H VAL A 30 2.550 7.740 -24.304 1.00 74.04 H new ATOM 0 HA VAL A 30 -0.304 7.780 -24.617 1.00 71.22 H new ATOM 0 HB VAL A 30 0.044 6.653 -22.167 1.00 14.12 H new ATOM 0 HG11 VAL A 30 0.370 4.459 -23.296 1.00 24.24 H new ATOM 0 HG12 VAL A 30 -0.819 5.475 -24.145 1.00 24.24 H new ATOM 0 HG13 VAL A 30 0.832 5.310 -24.789 1.00 24.24 H new ATOM 0 HG21 VAL A 30 2.193 5.481 -21.979 1.00 32.13 H new ATOM 0 HG22 VAL A 30 2.799 6.380 -23.391 1.00 32.13 H new ATOM 0 HG23 VAL A 30 2.375 7.250 -21.897 1.00 32.13 H new ATOM 438 N ASP A 31 1.133 9.818 -22.573 1.00 62.44 N ATOM 439 CA ASP A 31 1.037 10.877 -21.606 1.00 32.15 C ATOM 440 C ASP A 31 0.916 12.253 -22.254 1.00 61.22 C ATOM 441 O ASP A 31 1.058 13.262 -21.608 1.00 34.31 O ATOM 442 CB ASP A 31 2.286 10.873 -20.738 1.00 20.22 C ATOM 443 CG ASP A 31 2.507 9.571 -19.994 1.00 64.35 C ATOM 444 OD1 ASP A 31 1.590 9.096 -19.299 1.00 72.41 O ATOM 445 OD2 ASP A 31 3.608 8.984 -20.149 1.00 53.23 O ATOM 0 H ASP A 31 2.061 9.727 -22.985 1.00 62.44 H new ATOM 0 HA ASP A 31 0.136 10.696 -21.019 1.00 32.15 H new ATOM 0 HB2 ASP A 31 3.154 11.075 -21.365 1.00 20.22 H new ATOM 0 HB3 ASP A 31 2.219 11.687 -20.016 1.00 20.22 H new ATOM 450 N ASP A 32 0.700 12.285 -23.553 1.00 41.43 N ATOM 451 CA ASP A 32 0.778 13.527 -24.293 1.00 24.21 C ATOM 452 C ASP A 32 -0.376 14.450 -23.942 1.00 10.42 C ATOM 453 O ASP A 32 -1.529 14.134 -24.188 1.00 1.31 O ATOM 454 CB ASP A 32 0.731 13.213 -25.783 1.00 22.12 C ATOM 455 CG ASP A 32 2.105 13.087 -26.380 1.00 2.24 C ATOM 456 OD1 ASP A 32 3.039 12.685 -25.647 1.00 61.30 O ATOM 457 OD2 ASP A 32 2.238 13.243 -27.596 1.00 51.12 O ATOM 0 H ASP A 32 0.470 11.467 -24.117 1.00 41.43 H new ATOM 0 HA ASP A 32 1.709 14.030 -24.033 1.00 24.21 H new ATOM 0 HB2 ASP A 32 0.182 12.285 -25.940 1.00 22.12 H new ATOM 0 HB3 ASP A 32 0.182 13.999 -26.301 1.00 22.12 H new ATOM 462 N ALA A 33 -0.069 15.622 -23.398 1.00 35.52 N ATOM 463 CA ALA A 33 -1.138 16.545 -23.024 1.00 3.20 C ATOM 464 C ALA A 33 -1.550 17.324 -24.275 1.00 64.15 C ATOM 465 O ALA A 33 -0.781 18.100 -24.813 1.00 35.12 O ATOM 466 CB ALA A 33 -0.638 17.508 -21.938 1.00 64.15 C ATOM 0 H ALA A 33 0.878 15.950 -23.210 1.00 35.52 H new ATOM 0 HA ALA A 33 -1.993 15.998 -22.627 1.00 3.20 H new ATOM 0 HB1 ALA A 33 -1.439 18.194 -21.663 1.00 64.15 H new ATOM 0 HB2 ALA A 33 -0.330 16.939 -21.061 1.00 64.15 H new ATOM 0 HB3 ALA A 33 0.211 18.076 -22.318 1.00 64.15 H new ATOM 472 N PHE A 34 -2.780 17.112 -24.703 1.00 32.14 N ATOM 473 CA PHE A 34 -3.309 17.660 -25.950 1.00 11.22 C ATOM 474 C PHE A 34 -3.043 19.168 -26.121 1.00 71.32 C ATOM 475 O PHE A 34 -2.662 19.621 -27.193 1.00 54.14 O ATOM 476 CB PHE A 34 -4.819 17.383 -26.022 1.00 14.42 C ATOM 477 CG PHE A 34 -5.432 17.705 -27.366 1.00 30.35 C ATOM 478 CD1 PHE A 34 -5.332 16.792 -28.429 1.00 34.44 C ATOM 479 CD2 PHE A 34 -6.137 18.910 -27.563 1.00 11.33 C ATOM 480 CE1 PHE A 34 -5.938 17.076 -29.679 1.00 11.11 C ATOM 481 CE2 PHE A 34 -6.752 19.204 -28.811 1.00 23.05 C ATOM 482 CZ PHE A 34 -6.643 18.267 -29.868 1.00 50.53 C ATOM 0 H PHE A 34 -3.455 16.546 -24.190 1.00 32.14 H new ATOM 0 HA PHE A 34 -2.784 17.163 -26.766 1.00 11.22 H new ATOM 0 HB2 PHE A 34 -4.998 16.332 -25.793 1.00 14.42 H new ATOM 0 HB3 PHE A 34 -5.324 17.967 -25.253 1.00 14.42 H new ATOM 0 HD1 PHE A 34 -4.790 15.868 -28.293 1.00 34.44 H new ATOM 0 HD2 PHE A 34 -6.211 19.621 -26.753 1.00 11.33 H new ATOM 0 HE1 PHE A 34 -5.854 16.367 -30.490 1.00 11.11 H new ATOM 0 HE2 PHE A 34 -7.294 20.128 -28.951 1.00 23.05 H new ATOM 0 HZ PHE A 34 -7.106 18.474 -30.822 1.00 50.53 H new ATOM 492 N HIS A 35 -3.239 19.950 -25.066 1.00 62.04 N ATOM 493 CA HIS A 35 -3.060 21.406 -25.155 1.00 63.22 C ATOM 494 C HIS A 35 -1.599 21.854 -25.218 1.00 12.13 C ATOM 495 O HIS A 35 -1.321 22.956 -25.668 1.00 41.43 O ATOM 496 CB HIS A 35 -3.747 22.076 -23.959 1.00 31.23 C ATOM 497 CG HIS A 35 -3.355 21.498 -22.632 1.00 64.14 C ATOM 498 ND1 HIS A 35 -4.215 20.824 -21.799 1.00 13.41 N ATOM 499 CD2 HIS A 35 -2.163 21.519 -21.968 1.00 53.51 C ATOM 500 CE1 HIS A 35 -3.545 20.468 -20.707 1.00 5.02 C ATOM 501 NE2 HIS A 35 -2.289 20.856 -20.760 1.00 11.55 N ATOM 0 H HIS A 35 -3.519 19.611 -24.145 1.00 62.04 H new ATOM 0 HA HIS A 35 -3.514 21.713 -26.097 1.00 63.22 H new ATOM 0 HB2 HIS A 35 -3.510 23.140 -23.965 1.00 31.23 H new ATOM 0 HB3 HIS A 35 -4.827 21.989 -24.077 1.00 31.23 H new ATOM 0 HD2 HIS A 35 -1.258 21.983 -22.331 1.00 53.51 H new ATOM 0 HE1 HIS A 35 -3.978 19.927 -19.879 1.00 5.02 H new ATOM 0 HE2 HIS A 35 -1.563 20.701 -20.060 1.00 11.55 H new ATOM 509 N ASP A 36 -0.672 21.014 -24.777 1.00 74.32 N ATOM 510 CA ASP A 36 0.750 21.380 -24.771 1.00 15.33 C ATOM 511 C ASP A 36 1.304 21.242 -26.181 1.00 1.31 C ATOM 512 O ASP A 36 2.169 21.994 -26.608 1.00 23.25 O ATOM 513 CB ASP A 36 1.519 20.474 -23.812 1.00 31.50 C ATOM 514 CG ASP A 36 2.902 21.009 -23.485 1.00 13.23 C ATOM 515 OD1 ASP A 36 2.990 22.148 -22.978 1.00 53.21 O ATOM 516 OD2 ASP A 36 3.889 20.264 -23.659 1.00 33.21 O ATOM 0 H ASP A 36 -0.871 20.079 -24.420 1.00 74.32 H new ATOM 0 HA ASP A 36 0.861 22.411 -24.436 1.00 15.33 H new ATOM 0 HB2 ASP A 36 0.950 20.361 -22.889 1.00 31.50 H new ATOM 0 HB3 ASP A 36 1.612 19.481 -24.252 1.00 31.50 H new ATOM 521 N LEU A 37 0.716 20.322 -26.933 1.00 3.25 N ATOM 522 CA LEU A 37 1.086 20.079 -28.331 1.00 2.14 C ATOM 523 C LEU A 37 0.416 21.098 -29.262 1.00 32.14 C ATOM 524 O LEU A 37 0.280 20.862 -30.460 1.00 62.15 O ATOM 525 CB LEU A 37 0.658 18.666 -28.735 1.00 54.44 C ATOM 526 CG LEU A 37 1.254 17.525 -27.900 1.00 11.14 C ATOM 527 CD1 LEU A 37 0.183 16.593 -27.403 1.00 53.14 C ATOM 528 CD2 LEU A 37 2.290 16.729 -28.682 1.00 70.21 C ATOM 0 H LEU A 37 -0.034 19.719 -26.595 1.00 3.25 H new ATOM 0 HA LEU A 37 2.167 20.183 -28.423 1.00 2.14 H new ATOM 0 HB2 LEU A 37 -0.429 18.605 -28.676 1.00 54.44 H new ATOM 0 HB3 LEU A 37 0.930 18.508 -29.779 1.00 54.44 H new ATOM 0 HG LEU A 37 1.746 17.992 -27.047 1.00 11.14 H new ATOM 0 HD11 LEU A 37 0.638 15.796 -26.815 1.00 53.14 H new ATOM 0 HD12 LEU A 37 -0.521 17.146 -26.781 1.00 53.14 H new ATOM 0 HD13 LEU A 37 -0.346 16.161 -28.252 1.00 53.14 H new ATOM 0 HD21 LEU A 37 2.686 15.931 -28.054 1.00 70.21 H new ATOM 0 HD22 LEU A 37 1.824 16.296 -29.567 1.00 70.21 H new ATOM 0 HD23 LEU A 37 3.102 17.389 -28.986 1.00 70.21 H new ATOM 540 N GLY A 38 -0.040 22.210 -28.700 1.00 50.22 N ATOM 541 CA GLY A 38 -0.686 23.247 -29.489 1.00 11.41 C ATOM 542 C GLY A 38 -2.169 23.003 -29.688 1.00 31.53 C ATOM 543 O GLY A 38 -2.841 23.711 -30.442 1.00 4.25 O ATOM 0 H GLY A 38 0.026 22.415 -27.703 1.00 50.22 H new ATOM 0 HA2 GLY A 38 -0.545 24.210 -28.999 1.00 11.41 H new ATOM 0 HA3 GLY A 38 -0.200 23.311 -30.463 1.00 11.41 H new ATOM 547 N GLY A 39 -2.698 21.996 -29.009 1.00 63.21 N ATOM 548 CA GLY A 39 -4.105 21.674 -29.136 1.00 40.32 C ATOM 549 C GLY A 39 -4.996 22.765 -28.591 1.00 32.15 C ATOM 550 O GLY A 39 -4.683 23.427 -27.607 1.00 24.31 O ATOM 0 H GLY A 39 -2.177 21.395 -28.371 1.00 63.21 H new ATOM 0 HA2 GLY A 39 -4.343 21.505 -30.186 1.00 40.32 H new ATOM 0 HA3 GLY A 39 -4.311 20.743 -28.608 1.00 40.32 H new ATOM 554 N SER A 40 -6.139 22.947 -29.232 1.00 65.15 N ATOM 555 CA SER A 40 -7.086 23.984 -28.856 1.00 75.22 C ATOM 556 C SER A 40 -8.454 23.354 -28.682 1.00 10.52 C ATOM 557 O SER A 40 -8.672 22.218 -29.096 1.00 14.54 O ATOM 558 CB SER A 40 -7.146 25.049 -29.949 1.00 71.03 C ATOM 559 OG SER A 40 -7.591 24.480 -31.170 1.00 44.41 O ATOM 0 H SER A 40 -6.436 22.381 -30.027 1.00 65.15 H new ATOM 0 HA SER A 40 -6.771 24.452 -27.923 1.00 75.22 H new ATOM 0 HB2 SER A 40 -7.820 25.851 -29.647 1.00 71.03 H new ATOM 0 HB3 SER A 40 -6.161 25.495 -30.086 1.00 71.03 H new ATOM 0 HG SER A 40 -7.626 25.174 -31.861 1.00 44.41 H new ATOM 565 N SER A 41 -9.394 24.100 -28.123 1.00 71.23 N ATOM 566 CA SER A 41 -10.762 23.609 -27.969 1.00 11.42 C ATOM 567 C SER A 41 -11.368 23.313 -29.335 1.00 55.14 C ATOM 568 O SER A 41 -12.142 22.370 -29.484 1.00 52.11 O ATOM 569 CB SER A 41 -11.598 24.661 -27.244 1.00 2.22 C ATOM 570 OG SER A 41 -11.405 25.933 -27.844 1.00 10.21 O ATOM 0 H SER A 41 -9.240 25.044 -27.769 1.00 71.23 H new ATOM 0 HA SER A 41 -10.752 22.689 -27.385 1.00 11.42 H new ATOM 0 HB2 SER A 41 -12.653 24.388 -27.282 1.00 2.22 H new ATOM 0 HB3 SER A 41 -11.316 24.700 -26.192 1.00 2.22 H new ATOM 0 HG SER A 41 -11.946 26.602 -27.374 1.00 10.21 H new ATOM 576 N ALA A 42 -10.976 24.086 -30.339 1.00 2.34 N ATOM 577 CA ALA A 42 -11.453 23.871 -31.695 1.00 73.34 C ATOM 578 C ALA A 42 -10.928 22.535 -32.245 1.00 62.32 C ATOM 579 O ALA A 42 -11.671 21.767 -32.845 1.00 43.24 O ATOM 580 CB ALA A 42 -11.014 25.028 -32.594 1.00 43.31 C ATOM 0 H ALA A 42 -10.328 24.868 -30.238 1.00 2.34 H new ATOM 0 HA ALA A 42 -12.542 23.831 -31.681 1.00 73.34 H new ATOM 0 HB1 ALA A 42 -11.376 24.858 -33.608 1.00 43.31 H new ATOM 0 HB2 ALA A 42 -11.427 25.962 -32.213 1.00 43.31 H new ATOM 0 HB3 ALA A 42 -9.926 25.089 -32.603 1.00 43.31 H new ATOM 586 N LEU A 43 -9.652 22.249 -32.009 1.00 25.24 N ATOM 587 CA LEU A 43 -9.059 21.000 -32.467 1.00 11.13 C ATOM 588 C LEU A 43 -9.641 19.822 -31.701 1.00 50.12 C ATOM 589 O LEU A 43 -9.810 18.741 -32.268 1.00 33.42 O ATOM 590 CB LEU A 43 -7.533 21.028 -32.313 1.00 40.21 C ATOM 591 CG LEU A 43 -6.765 21.897 -33.329 1.00 14.10 C ATOM 592 CD1 LEU A 43 -5.294 21.917 -32.960 1.00 62.13 C ATOM 593 CD2 LEU A 43 -6.937 21.380 -34.763 1.00 23.44 C ATOM 0 H LEU A 43 -9.012 22.863 -31.505 1.00 25.24 H new ATOM 0 HA LEU A 43 -9.295 20.883 -33.525 1.00 11.13 H new ATOM 0 HB2 LEU A 43 -7.296 21.382 -31.310 1.00 40.21 H new ATOM 0 HB3 LEU A 43 -7.162 20.006 -32.386 1.00 40.21 H new ATOM 0 HG LEU A 43 -7.174 22.907 -33.292 1.00 14.10 H new ATOM 0 HD11 LEU A 43 -4.748 22.531 -33.676 1.00 62.13 H new ATOM 0 HD12 LEU A 43 -5.175 22.334 -31.960 1.00 62.13 H new ATOM 0 HD13 LEU A 43 -4.900 20.901 -32.978 1.00 62.13 H new ATOM 0 HD21 LEU A 43 -6.381 22.019 -35.449 1.00 23.44 H new ATOM 0 HD22 LEU A 43 -6.559 20.360 -34.830 1.00 23.44 H new ATOM 0 HD23 LEU A 43 -7.994 21.393 -35.030 1.00 23.44 H new ATOM 605 N ALA A 44 -10.004 20.025 -30.439 1.00 61.32 N ATOM 606 CA ALA A 44 -10.626 18.958 -29.654 1.00 2.01 C ATOM 607 C ALA A 44 -11.960 18.511 -30.279 1.00 33.42 C ATOM 608 O ALA A 44 -12.284 17.342 -30.314 1.00 13.01 O ATOM 609 CB ALA A 44 -10.847 19.431 -28.192 1.00 20.11 C ATOM 0 H ALA A 44 -9.882 20.906 -29.940 1.00 61.32 H new ATOM 0 HA ALA A 44 -9.953 18.101 -29.653 1.00 2.01 H new ATOM 0 HB1 ALA A 44 -11.310 18.630 -27.616 1.00 20.11 H new ATOM 0 HB2 ALA A 44 -9.888 19.691 -27.745 1.00 20.11 H new ATOM 0 HB3 ALA A 44 -11.498 20.305 -28.187 1.00 20.11 H new ATOM 615 N MET A 45 -12.684 19.422 -30.873 1.00 55.51 N ATOM 616 CA MET A 45 -13.918 19.098 -31.578 1.00 0.34 C ATOM 617 C MET A 45 -13.628 18.212 -32.807 1.00 54.14 C ATOM 618 O MET A 45 -14.405 17.307 -33.168 1.00 41.24 O ATOM 619 CB MET A 45 -14.677 20.334 -32.056 1.00 30.35 C ATOM 620 CG MET A 45 -15.043 21.274 -30.915 1.00 24.22 C ATOM 621 SD MET A 45 -16.312 22.459 -31.473 1.00 21.24 S ATOM 622 CE MET A 45 -15.355 23.565 -32.510 1.00 60.34 C ATOM 0 H MET A 45 -12.444 20.413 -30.888 1.00 55.51 H new ATOM 0 HA MET A 45 -14.539 18.570 -30.855 1.00 0.34 H new ATOM 0 HB2 MET A 45 -14.068 20.871 -32.783 1.00 30.35 H new ATOM 0 HB3 MET A 45 -15.586 20.021 -32.570 1.00 30.35 H new ATOM 0 HG2 MET A 45 -15.415 20.702 -30.065 1.00 24.22 H new ATOM 0 HG3 MET A 45 -14.157 21.810 -30.575 1.00 24.22 H new ATOM 0 HE1 MET A 45 -15.928 23.814 -33.403 1.00 60.34 H new ATOM 0 HE2 MET A 45 -15.129 24.477 -31.958 1.00 60.34 H new ATOM 0 HE3 MET A 45 -14.425 23.077 -32.801 1.00 60.34 H new ATOM 632 N ARG A 46 -12.500 18.454 -33.462 1.00 31.15 N ATOM 633 CA ARG A 46 -12.128 17.682 -34.645 1.00 71.50 C ATOM 634 C ARG A 46 -11.670 16.300 -34.223 1.00 31.35 C ATOM 635 O ARG A 46 -11.873 15.338 -34.924 1.00 24.11 O ATOM 636 CB ARG A 46 -11.018 18.400 -35.447 1.00 21.25 C ATOM 637 CG ARG A 46 -11.320 19.859 -35.825 1.00 10.12 C ATOM 638 CD ARG A 46 -12.613 20.029 -36.639 1.00 42.01 C ATOM 639 NE ARG A 46 -12.552 19.368 -37.960 1.00 64.24 N ATOM 640 CZ ARG A 46 -12.054 19.905 -39.072 1.00 21.24 C ATOM 641 NH1 ARG A 46 -11.543 21.112 -39.104 1.00 32.34 N ATOM 642 NH2 ARG A 46 -12.076 19.210 -40.173 1.00 62.21 N ATOM 0 H ARG A 46 -11.828 19.175 -33.198 1.00 31.15 H new ATOM 0 HA ARG A 46 -12.999 17.590 -35.293 1.00 71.50 H new ATOM 0 HB2 ARG A 46 -10.098 18.376 -34.863 1.00 21.25 H new ATOM 0 HB3 ARG A 46 -10.831 17.836 -36.361 1.00 21.25 H new ATOM 0 HG2 ARG A 46 -11.393 20.454 -34.914 1.00 10.12 H new ATOM 0 HG3 ARG A 46 -10.484 20.257 -36.400 1.00 10.12 H new ATOM 0 HD2 ARG A 46 -13.450 19.620 -36.072 1.00 42.01 H new ATOM 0 HD3 ARG A 46 -12.811 21.092 -36.779 1.00 42.01 H new ATOM 0 HE ARG A 46 -12.923 18.420 -38.025 1.00 64.24 H new ATOM 0 HH11 ARG A 46 -11.517 21.677 -38.255 1.00 32.34 H new ATOM 0 HH12 ARG A 46 -11.172 21.486 -39.978 1.00 32.34 H new ATOM 0 HH21 ARG A 46 -12.471 18.269 -40.175 1.00 62.21 H new ATOM 0 HH22 ARG A 46 -11.699 19.606 -41.034 1.00 62.21 H new ATOM 656 N LEU A 47 -11.070 16.231 -33.045 1.00 13.23 N ATOM 657 CA LEU A 47 -10.594 14.958 -32.481 1.00 12.24 C ATOM 658 C LEU A 47 -11.802 14.082 -32.260 1.00 1.13 C ATOM 659 O LEU A 47 -11.848 12.926 -32.639 1.00 61.33 O ATOM 660 CB LEU A 47 -9.824 15.192 -31.218 1.00 23.22 C ATOM 661 CG LEU A 47 -9.256 13.962 -30.482 1.00 64.25 C ATOM 662 CD1 LEU A 47 -8.320 13.183 -31.411 1.00 12.13 C ATOM 663 CD2 LEU A 47 -8.499 14.437 -29.208 1.00 23.02 C ATOM 0 H LEU A 47 -10.896 17.042 -32.451 1.00 13.23 H new ATOM 0 HA LEU A 47 -9.906 14.461 -33.165 1.00 12.24 H new ATOM 0 HB2 LEU A 47 -8.992 15.856 -31.452 1.00 23.22 H new ATOM 0 HB3 LEU A 47 -10.473 15.727 -30.525 1.00 23.22 H new ATOM 0 HG LEU A 47 -10.069 13.299 -30.186 1.00 64.25 H new ATOM 0 HD11 LEU A 47 -7.923 12.316 -30.884 1.00 12.13 H new ATOM 0 HD12 LEU A 47 -8.873 12.851 -32.290 1.00 12.13 H new ATOM 0 HD13 LEU A 47 -7.497 13.827 -31.722 1.00 12.13 H new ATOM 0 HD21 LEU A 47 -8.094 13.573 -28.682 1.00 23.02 H new ATOM 0 HD22 LEU A 47 -7.684 15.101 -29.495 1.00 23.02 H new ATOM 0 HD23 LEU A 47 -9.188 14.970 -28.553 1.00 23.02 H new ATOM 675 N ILE A 48 -12.838 14.667 -31.629 1.00 44.12 N ATOM 676 CA ILE A 48 -14.047 13.941 -31.323 1.00 12.23 C ATOM 677 C ILE A 48 -14.681 13.432 -32.613 1.00 25.10 C ATOM 678 O ILE A 48 -15.190 12.315 -32.653 1.00 25.55 O ATOM 679 CB ILE A 48 -15.010 14.869 -30.538 1.00 23.13 C ATOM 680 CG1 ILE A 48 -14.418 15.173 -29.149 1.00 20.14 C ATOM 681 CG2 ILE A 48 -16.420 14.241 -30.402 1.00 50.05 C ATOM 682 CD1 ILE A 48 -15.001 16.418 -28.492 1.00 32.43 C ATOM 0 H ILE A 48 -12.845 15.642 -31.328 1.00 44.12 H new ATOM 0 HA ILE A 48 -13.823 13.075 -30.700 1.00 12.23 H new ATOM 0 HB ILE A 48 -15.120 15.799 -31.096 1.00 23.13 H new ATOM 0 HG12 ILE A 48 -14.587 14.316 -28.497 1.00 20.14 H new ATOM 0 HG13 ILE A 48 -13.339 15.294 -29.243 1.00 20.14 H new ATOM 0 HG21 ILE A 48 -17.068 14.919 -29.846 1.00 50.05 H new ATOM 0 HG22 ILE A 48 -16.839 14.069 -31.393 1.00 50.05 H new ATOM 0 HG23 ILE A 48 -16.346 13.292 -29.870 1.00 50.05 H new ATOM 0 HD11 ILE A 48 -14.536 16.567 -27.518 1.00 32.43 H new ATOM 0 HD12 ILE A 48 -14.809 17.286 -29.123 1.00 32.43 H new ATOM 0 HD13 ILE A 48 -16.076 16.293 -28.365 1.00 32.43 H new ATOM 694 N ALA A 49 -14.634 14.226 -33.673 1.00 72.13 N ATOM 695 CA ALA A 49 -15.195 13.782 -34.949 1.00 11.01 C ATOM 696 C ALA A 49 -14.441 12.550 -35.463 1.00 21.43 C ATOM 697 O ALA A 49 -15.051 11.614 -35.940 1.00 51.15 O ATOM 698 CB ALA A 49 -15.160 14.919 -35.979 1.00 33.21 C ATOM 0 H ALA A 49 -14.224 15.160 -33.682 1.00 72.13 H new ATOM 0 HA ALA A 49 -16.237 13.503 -34.793 1.00 11.01 H new ATOM 0 HB1 ALA A 49 -15.581 14.569 -36.921 1.00 33.21 H new ATOM 0 HB2 ALA A 49 -15.745 15.762 -35.611 1.00 33.21 H new ATOM 0 HB3 ALA A 49 -14.129 15.235 -36.138 1.00 33.21 H new ATOM 704 N ARG A 50 -13.123 12.561 -35.318 1.00 44.14 N ATOM 705 CA ARG A 50 -12.282 11.443 -35.741 1.00 10.40 C ATOM 706 C ARG A 50 -12.555 10.178 -34.930 1.00 24.30 C ATOM 707 O ARG A 50 -12.613 9.086 -35.489 1.00 33.33 O ATOM 708 CB ARG A 50 -10.795 11.851 -35.579 1.00 22.44 C ATOM 709 CG ARG A 50 -9.866 11.413 -36.702 1.00 23.14 C ATOM 710 CD ARG A 50 -9.941 12.361 -37.854 1.00 32.20 C ATOM 711 NE ARG A 50 -8.742 12.299 -38.707 1.00 64.43 N ATOM 712 CZ ARG A 50 -8.501 13.106 -39.741 1.00 51.32 C ATOM 713 NH1 ARG A 50 -9.352 14.049 -40.080 1.00 31.40 N ATOM 714 NH2 ARG A 50 -7.404 12.992 -40.452 1.00 34.21 N ATOM 0 H ARG A 50 -12.607 13.339 -34.907 1.00 44.14 H new ATOM 0 HA ARG A 50 -12.513 11.218 -36.782 1.00 10.40 H new ATOM 0 HB2 ARG A 50 -10.742 12.936 -35.491 1.00 22.44 H new ATOM 0 HB3 ARG A 50 -10.423 11.437 -34.642 1.00 22.44 H new ATOM 0 HG2 ARG A 50 -8.841 11.362 -36.333 1.00 23.14 H new ATOM 0 HG3 ARG A 50 -10.136 10.410 -37.033 1.00 23.14 H new ATOM 0 HD2 ARG A 50 -10.823 12.133 -38.453 1.00 32.20 H new ATOM 0 HD3 ARG A 50 -10.065 13.377 -37.479 1.00 32.20 H new ATOM 0 HE ARG A 50 -8.045 11.587 -38.491 1.00 64.43 H new ATOM 0 HH11 ARG A 50 -10.214 14.173 -39.549 1.00 31.40 H new ATOM 0 HH12 ARG A 50 -9.150 14.657 -40.874 1.00 31.40 H new ATOM 0 HH21 ARG A 50 -6.716 12.276 -40.218 1.00 34.21 H new ATOM 0 HH22 ARG A 50 -7.239 13.619 -41.239 1.00 34.21 H new ATOM 728 N ILE A 51 -12.779 10.343 -33.625 1.00 63.22 N ATOM 729 CA ILE A 51 -13.113 9.213 -32.760 1.00 23.04 C ATOM 730 C ILE A 51 -14.374 8.480 -33.192 1.00 34.45 C ATOM 731 O ILE A 51 -14.459 7.261 -33.076 1.00 74.43 O ATOM 732 CB ILE A 51 -13.280 9.723 -31.249 1.00 52.13 C ATOM 733 CG1 ILE A 51 -11.939 10.226 -30.690 1.00 52.41 C ATOM 734 CG2 ILE A 51 -13.814 8.571 -30.370 1.00 44.11 C ATOM 735 CD1 ILE A 51 -12.040 10.988 -29.336 1.00 61.32 C ATOM 0 H ILE A 51 -12.735 11.243 -33.147 1.00 63.22 H new ATOM 0 HA ILE A 51 -12.291 8.502 -32.838 1.00 23.04 H new ATOM 0 HB ILE A 51 -13.989 10.551 -31.238 1.00 52.13 H new ATOM 0 HG12 ILE A 51 -11.272 9.373 -30.562 1.00 52.41 H new ATOM 0 HG13 ILE A 51 -11.478 10.883 -31.427 1.00 52.41 H new ATOM 0 HG21 ILE A 51 -13.927 8.919 -29.343 1.00 44.11 H new ATOM 0 HG22 ILE A 51 -14.781 8.242 -30.750 1.00 44.11 H new ATOM 0 HG23 ILE A 51 -13.111 7.738 -30.395 1.00 44.11 H new ATOM 0 HD11 ILE A 51 -11.045 11.304 -29.021 1.00 61.32 H new ATOM 0 HD12 ILE A 51 -12.677 11.864 -29.458 1.00 61.32 H new ATOM 0 HD13 ILE A 51 -12.468 10.330 -28.579 1.00 61.32 H new ATOM 747 N ARG A 52 -15.373 9.181 -33.746 1.00 54.41 N ATOM 748 CA ARG A 52 -16.644 8.550 -34.158 1.00 21.51 C ATOM 749 C ARG A 52 -16.416 7.475 -35.244 1.00 45.24 C ATOM 750 O ARG A 52 -17.147 6.522 -35.358 1.00 42.50 O ATOM 751 CB ARG A 52 -17.616 9.519 -34.699 1.00 14.11 C ATOM 752 CG ARG A 52 -18.048 10.526 -33.717 1.00 40.32 C ATOM 753 CD ARG A 52 -19.031 11.473 -34.371 1.00 71.22 C ATOM 754 NE ARG A 52 -20.309 11.383 -33.711 1.00 53.20 N ATOM 755 CZ ARG A 52 -21.381 12.123 -34.042 1.00 74.20 C ATOM 756 NH1 ARG A 52 -21.392 12.963 -35.073 1.00 40.41 N ATOM 757 NH2 ARG A 52 -22.481 12.024 -33.322 1.00 40.21 N ATOM 0 H ARG A 52 -15.330 10.185 -33.921 1.00 54.41 H new ATOM 0 HA ARG A 52 -17.045 8.104 -33.248 1.00 21.51 H new ATOM 0 HB2 ARG A 52 -17.173 10.026 -35.557 1.00 14.11 H new ATOM 0 HB3 ARG A 52 -18.490 8.980 -35.064 1.00 14.11 H new ATOM 0 HG2 ARG A 52 -18.511 10.039 -32.859 1.00 40.32 H new ATOM 0 HG3 ARG A 52 -17.186 11.079 -33.343 1.00 40.32 H new ATOM 0 HD2 ARG A 52 -18.655 12.495 -34.318 1.00 71.22 H new ATOM 0 HD3 ARG A 52 -19.139 11.227 -35.427 1.00 71.22 H new ATOM 0 HE ARG A 52 -20.406 10.716 -32.945 1.00 53.20 H new ATOM 0 HH11 ARG A 52 -20.560 13.068 -35.654 1.00 40.41 H new ATOM 0 HH12 ARG A 52 -22.232 13.502 -35.282 1.00 40.41 H new ATOM 0 HH21 ARG A 52 -22.512 11.391 -32.523 1.00 40.21 H new ATOM 0 HH22 ARG A 52 -23.301 12.581 -33.564 1.00 40.21 H new ATOM 771 N GLU A 53 -15.409 7.721 -36.068 1.00 2.24 N ATOM 772 CA GLU A 53 -15.189 6.866 -37.262 1.00 1.04 C ATOM 773 C GLU A 53 -14.482 5.607 -36.804 1.00 35.14 C ATOM 774 O GLU A 53 -14.700 4.485 -37.295 1.00 70.12 O ATOM 775 CB GLU A 53 -14.320 7.573 -38.275 1.00 22.33 C ATOM 776 CG GLU A 53 -14.734 9.050 -38.566 1.00 33.44 C ATOM 777 CD GLU A 53 -16.146 9.156 -39.105 1.00 3.42 C ATOM 778 OE1 GLU A 53 -16.423 8.565 -40.177 1.00 41.24 O ATOM 779 OE2 GLU A 53 -16.975 9.880 -38.502 1.00 73.51 O ATOM 0 H GLU A 53 -14.738 8.481 -35.952 1.00 2.24 H new ATOM 0 HA GLU A 53 -16.147 6.638 -37.729 1.00 1.04 H new ATOM 0 HB2 GLU A 53 -13.289 7.561 -37.921 1.00 22.33 H new ATOM 0 HB3 GLU A 53 -14.343 7.012 -39.209 1.00 22.33 H new ATOM 0 HG2 GLU A 53 -14.652 9.635 -37.650 1.00 33.44 H new ATOM 0 HG3 GLU A 53 -14.039 9.485 -39.285 1.00 33.44 H new ATOM 786 N GLU A 54 -13.640 5.811 -35.798 1.00 70.34 N ATOM 787 CA GLU A 54 -12.693 4.756 -35.375 1.00 74.13 C ATOM 788 C GLU A 54 -13.212 3.924 -34.190 1.00 34.11 C ATOM 789 O GLU A 54 -13.095 2.691 -34.171 1.00 55.41 O ATOM 790 CB GLU A 54 -11.379 5.404 -34.999 1.00 10.31 C ATOM 791 CG GLU A 54 -10.532 5.723 -36.261 1.00 4.04 C ATOM 792 CD GLU A 54 -9.250 4.870 -36.321 1.00 31.41 C ATOM 793 OE1 GLU A 54 -9.331 3.636 -36.055 1.00 33.22 O ATOM 794 OE2 GLU A 54 -8.189 5.406 -36.658 1.00 41.22 O ATOM 0 H GLU A 54 -13.584 6.676 -35.261 1.00 70.34 H new ATOM 0 HA GLU A 54 -12.569 4.070 -36.213 1.00 74.13 H new ATOM 0 HB2 GLU A 54 -11.569 6.322 -34.443 1.00 10.31 H new ATOM 0 HB3 GLU A 54 -10.819 4.742 -34.339 1.00 10.31 H new ATOM 0 HG2 GLU A 54 -11.130 5.544 -37.155 1.00 4.04 H new ATOM 0 HG3 GLU A 54 -10.266 6.780 -36.262 1.00 4.04 H new ATOM 801 N LEU A 55 -13.793 4.578 -33.175 1.00 2.00 N ATOM 802 CA LEU A 55 -14.267 3.898 -31.979 1.00 4.14 C ATOM 803 C LEU A 55 -15.784 3.739 -32.020 1.00 61.24 C ATOM 804 O LEU A 55 -16.388 3.054 -31.194 1.00 64.53 O ATOM 805 CB LEU A 55 -13.913 4.616 -30.742 1.00 74.42 C ATOM 806 CG LEU A 55 -12.398 4.904 -30.522 1.00 70.11 C ATOM 807 CD1 LEU A 55 -12.252 5.421 -29.078 1.00 31.13 C ATOM 808 CD2 LEU A 55 -11.459 3.740 -30.710 1.00 71.11 C ATOM 0 H LEU A 55 -13.943 5.587 -33.167 1.00 2.00 H new ATOM 0 HA LEU A 55 -13.777 2.924 -31.968 1.00 4.14 H new ATOM 0 HB2 LEU A 55 -14.447 5.566 -30.733 1.00 74.42 H new ATOM 0 HB3 LEU A 55 -14.278 4.037 -29.894 1.00 74.42 H new ATOM 0 HG LEU A 55 -12.106 5.617 -31.292 1.00 70.11 H new ATOM 0 HD11 LEU A 55 -11.204 5.638 -28.874 1.00 31.13 H new ATOM 0 HD12 LEU A 55 -12.841 6.330 -28.956 1.00 31.13 H new ATOM 0 HD13 LEU A 55 -12.608 4.661 -28.382 1.00 31.13 H new ATOM 0 HD21 LEU A 55 -10.435 4.066 -30.530 1.00 71.11 H new ATOM 0 HD22 LEU A 55 -11.717 2.948 -30.007 1.00 71.11 H new ATOM 0 HD23 LEU A 55 -11.546 3.364 -31.729 1.00 71.11 H new ATOM 820 N GLY A 56 -16.402 4.411 -33.020 1.00 61.52 N ATOM 821 CA GLY A 56 -17.836 4.287 -33.212 1.00 44.11 C ATOM 822 C GLY A 56 -18.689 5.063 -32.245 1.00 52.13 C ATOM 823 O GLY A 56 -19.877 4.769 -32.103 1.00 35.02 O ATOM 0 H GLY A 56 -15.930 5.026 -33.683 1.00 61.52 H new ATOM 0 HA2 GLY A 56 -18.079 4.611 -34.224 1.00 44.11 H new ATOM 0 HA3 GLY A 56 -18.105 3.233 -33.141 1.00 44.11 H new ATOM 827 N VAL A 57 -18.108 6.040 -31.566 1.00 30.24 N ATOM 828 CA VAL A 57 -18.834 6.815 -30.559 1.00 2.32 C ATOM 829 C VAL A 57 -18.397 8.269 -30.556 1.00 13.11 C ATOM 830 O VAL A 57 -17.269 8.601 -30.925 1.00 4.34 O ATOM 831 CB VAL A 57 -18.567 6.247 -29.095 1.00 15.43 C ATOM 832 CG1 VAL A 57 -19.198 4.856 -28.927 1.00 24.41 C ATOM 833 CG2 VAL A 57 -17.061 6.166 -28.774 1.00 72.22 C ATOM 0 H VAL A 57 -17.135 6.319 -31.691 1.00 30.24 H new ATOM 0 HA VAL A 57 -19.890 6.736 -30.818 1.00 2.32 H new ATOM 0 HB VAL A 57 -19.029 6.945 -28.397 1.00 15.43 H new ATOM 0 HG11 VAL A 57 -19.003 4.487 -27.920 1.00 24.41 H new ATOM 0 HG12 VAL A 57 -20.274 4.923 -29.087 1.00 24.41 H new ATOM 0 HG13 VAL A 57 -18.765 4.170 -29.655 1.00 24.41 H new ATOM 0 HG21 VAL A 57 -16.924 5.774 -27.766 1.00 72.22 H new ATOM 0 HG22 VAL A 57 -16.571 5.506 -29.490 1.00 72.22 H new ATOM 0 HG23 VAL A 57 -16.621 7.161 -28.839 1.00 72.22 H new ATOM 843 N ASP A 58 -19.284 9.150 -30.130 1.00 50.24 N ATOM 844 CA ASP A 58 -18.939 10.569 -29.967 1.00 62.01 C ATOM 845 C ASP A 58 -18.334 10.755 -28.587 1.00 2.31 C ATOM 846 O ASP A 58 -19.021 10.751 -27.575 1.00 14.21 O ATOM 847 CB ASP A 58 -20.163 11.489 -30.165 1.00 23.21 C ATOM 848 CG ASP A 58 -21.342 11.129 -29.265 1.00 31.13 C ATOM 849 OD1 ASP A 58 -21.848 9.983 -29.361 1.00 11.43 O ATOM 850 OD2 ASP A 58 -21.875 12.051 -28.617 1.00 74.42 O ATOM 0 H ASP A 58 -20.248 8.919 -29.889 1.00 50.24 H new ATOM 0 HA ASP A 58 -18.218 10.852 -30.734 1.00 62.01 H new ATOM 0 HB2 ASP A 58 -19.869 12.520 -29.971 1.00 23.21 H new ATOM 0 HB3 ASP A 58 -20.481 11.439 -31.206 1.00 23.21 H new ATOM 855 N LEU A 59 -17.018 10.889 -28.544 1.00 64.44 N ATOM 856 CA LEU A 59 -16.343 11.067 -27.272 1.00 55.55 C ATOM 857 C LEU A 59 -16.827 12.362 -26.610 1.00 50.31 C ATOM 858 O LEU A 59 -16.774 13.438 -27.209 1.00 52.51 O ATOM 859 CB LEU A 59 -14.832 11.115 -27.452 1.00 1.01 C ATOM 860 CG LEU A 59 -14.035 11.336 -26.148 1.00 11.43 C ATOM 861 CD1 LEU A 59 -12.935 10.313 -25.908 1.00 52.12 C ATOM 862 CD2 LEU A 59 -13.444 12.726 -26.119 1.00 34.53 C ATOM 0 H LEU A 59 -16.407 10.878 -29.360 1.00 64.44 H new ATOM 0 HA LEU A 59 -16.582 10.215 -26.636 1.00 55.55 H new ATOM 0 HB2 LEU A 59 -14.504 10.181 -27.909 1.00 1.01 H new ATOM 0 HB3 LEU A 59 -14.588 11.915 -28.151 1.00 1.01 H new ATOM 0 HG LEU A 59 -14.758 11.210 -25.342 1.00 11.43 H new ATOM 0 HD11 LEU A 59 -12.425 10.540 -24.972 1.00 52.12 H new ATOM 0 HD12 LEU A 59 -13.372 9.316 -25.850 1.00 52.12 H new ATOM 0 HD13 LEU A 59 -12.219 10.349 -26.729 1.00 52.12 H new ATOM 0 HD21 LEU A 59 -12.886 12.865 -25.193 1.00 34.53 H new ATOM 0 HD22 LEU A 59 -12.774 12.854 -26.969 1.00 34.53 H new ATOM 0 HD23 LEU A 59 -14.245 13.463 -26.174 1.00 34.53 H new ATOM 874 N PRO A 60 -17.275 12.281 -25.349 1.00 71.53 N ATOM 875 CA PRO A 60 -17.670 13.515 -24.668 1.00 4.54 C ATOM 876 C PRO A 60 -16.476 14.441 -24.488 1.00 72.25 C ATOM 877 O PRO A 60 -15.460 14.041 -23.917 1.00 74.44 O ATOM 878 CB PRO A 60 -18.157 13.028 -23.291 1.00 72.43 C ATOM 879 CG PRO A 60 -18.358 11.557 -23.428 1.00 44.40 C ATOM 880 CD PRO A 60 -17.399 11.101 -24.479 1.00 1.21 C ATOM 0 HA PRO A 60 -18.421 14.075 -25.225 1.00 4.54 H new ATOM 0 HB2 PRO A 60 -17.424 13.252 -22.516 1.00 72.43 H new ATOM 0 HB3 PRO A 60 -19.085 13.525 -23.006 1.00 72.43 H new ATOM 0 HG2 PRO A 60 -18.170 11.049 -22.482 1.00 44.40 H new ATOM 0 HG3 PRO A 60 -19.385 11.329 -23.713 1.00 44.40 H new ATOM 0 HD2 PRO A 60 -16.439 10.812 -24.051 1.00 1.21 H new ATOM 0 HD3 PRO A 60 -17.778 10.236 -25.024 1.00 1.21 H new ATOM 888 N ILE A 61 -16.611 15.698 -24.891 1.00 70.24 N ATOM 889 CA ILE A 61 -15.532 16.691 -24.706 1.00 31.04 C ATOM 890 C ILE A 61 -15.200 16.842 -23.207 1.00 64.03 C ATOM 891 O ILE A 61 -14.095 17.190 -22.826 1.00 51.03 O ATOM 892 CB ILE A 61 -15.902 18.058 -25.360 1.00 3.35 C ATOM 893 CG1 ILE A 61 -14.621 18.871 -25.603 1.00 53.22 C ATOM 894 CG2 ILE A 61 -16.935 18.848 -24.514 1.00 30.22 C ATOM 895 CD1 ILE A 61 -14.792 20.054 -26.587 1.00 41.23 C ATOM 0 H ILE A 61 -17.447 16.064 -25.347 1.00 70.24 H new ATOM 0 HA ILE A 61 -14.637 16.331 -25.214 1.00 31.04 H new ATOM 0 HB ILE A 61 -16.384 17.865 -26.319 1.00 3.35 H new ATOM 0 HG12 ILE A 61 -14.263 19.257 -24.648 1.00 53.22 H new ATOM 0 HG13 ILE A 61 -13.849 18.204 -25.986 1.00 53.22 H new ATOM 0 HG21 ILE A 61 -17.163 19.793 -25.007 1.00 30.22 H new ATOM 0 HG22 ILE A 61 -17.848 18.261 -24.414 1.00 30.22 H new ATOM 0 HG23 ILE A 61 -16.521 19.046 -23.525 1.00 30.22 H new ATOM 0 HD11 ILE A 61 -13.840 20.573 -26.701 1.00 41.23 H new ATOM 0 HD12 ILE A 61 -15.118 19.677 -27.556 1.00 41.23 H new ATOM 0 HD13 ILE A 61 -15.539 20.746 -26.198 1.00 41.23 H new ATOM 907 N ARG A 62 -16.168 16.500 -22.374 1.00 61.30 N ATOM 908 CA ARG A 62 -16.014 16.486 -20.922 1.00 41.01 C ATOM 909 C ARG A 62 -14.888 15.550 -20.470 1.00 2.43 C ATOM 910 O ARG A 62 -14.216 15.827 -19.482 1.00 33.32 O ATOM 911 CB ARG A 62 -17.343 16.072 -20.273 1.00 30.32 C ATOM 912 CG ARG A 62 -18.410 17.144 -20.328 1.00 61.13 C ATOM 913 CD ARG A 62 -19.737 16.643 -20.927 1.00 44.10 C ATOM 914 NE ARG A 62 -20.542 15.860 -19.970 1.00 3.21 N ATOM 915 CZ ARG A 62 -21.746 15.347 -20.223 1.00 1.42 C ATOM 916 NH1 ARG A 62 -22.337 15.481 -21.380 1.00 24.33 N ATOM 917 NH2 ARG A 62 -22.382 14.686 -19.291 1.00 54.34 N ATOM 0 H ARG A 62 -17.097 16.220 -22.688 1.00 61.30 H new ATOM 0 HA ARG A 62 -15.741 17.492 -20.602 1.00 41.01 H new ATOM 0 HB2 ARG A 62 -17.715 15.176 -20.770 1.00 30.32 H new ATOM 0 HB3 ARG A 62 -17.161 15.807 -19.232 1.00 30.32 H new ATOM 0 HG2 ARG A 62 -18.591 17.520 -19.321 1.00 61.13 H new ATOM 0 HG3 ARG A 62 -18.044 17.983 -20.920 1.00 61.13 H new ATOM 0 HD2 ARG A 62 -20.320 17.498 -21.270 1.00 44.10 H new ATOM 0 HD3 ARG A 62 -19.525 16.029 -21.803 1.00 44.10 H new ATOM 0 HE ARG A 62 -20.147 15.699 -19.044 1.00 3.21 H new ATOM 0 HH11 ARG A 62 -21.876 15.994 -22.132 1.00 24.33 H new ATOM 0 HH12 ARG A 62 -23.259 15.072 -21.532 1.00 24.33 H new ATOM 0 HH21 ARG A 62 -21.957 14.564 -18.372 1.00 54.34 H new ATOM 0 HH22 ARG A 62 -23.303 14.293 -19.483 1.00 54.34 H new ATOM 931 N GLN A 63 -14.645 14.454 -21.206 1.00 30.11 N ATOM 932 CA GLN A 63 -13.607 13.515 -20.842 1.00 35.43 C ATOM 933 C GLN A 63 -12.254 14.139 -21.194 1.00 51.11 C ATOM 934 O GLN A 63 -11.303 14.008 -20.440 1.00 52.55 O ATOM 935 CB GLN A 63 -13.787 12.180 -21.550 1.00 51.44 C ATOM 936 CG GLN A 63 -15.066 11.457 -21.192 1.00 60.03 C ATOM 937 CD GLN A 63 -15.284 11.333 -19.711 1.00 65.21 C ATOM 938 OE1 GLN A 63 -14.643 10.565 -19.066 1.00 34.31 O ATOM 939 NE2 GLN A 63 -16.187 12.126 -19.181 1.00 53.14 N ATOM 0 H GLN A 63 -15.159 14.209 -22.052 1.00 30.11 H new ATOM 0 HA GLN A 63 -13.661 13.312 -19.772 1.00 35.43 H new ATOM 0 HB2 GLN A 63 -13.766 12.347 -22.627 1.00 51.44 H new ATOM 0 HB3 GLN A 63 -12.940 11.537 -21.310 1.00 51.44 H new ATOM 0 HG2 GLN A 63 -15.910 11.987 -21.633 1.00 60.03 H new ATOM 0 HG3 GLN A 63 -15.048 10.461 -21.634 1.00 60.03 H new ATOM 0 HE21 GLN A 63 -16.713 12.769 -19.774 1.00 53.14 H new ATOM 0 HE22 GLN A 63 -16.363 12.099 -18.177 1.00 53.14 H new ATOM 948 N LEU A 64 -12.163 14.831 -22.342 1.00 25.15 N ATOM 949 CA LEU A 64 -10.881 15.455 -22.754 1.00 74.21 C ATOM 950 C LEU A 64 -10.474 16.552 -21.781 1.00 51.52 C ATOM 951 O LEU A 64 -9.297 16.714 -21.465 1.00 71.03 O ATOM 952 CB LEU A 64 -11.008 16.049 -24.158 1.00 60.43 C ATOM 953 CG LEU A 64 -10.738 15.071 -25.324 1.00 51.51 C ATOM 954 CD1 LEU A 64 -11.260 15.676 -26.622 1.00 32.11 C ATOM 955 CD2 LEU A 64 -9.247 14.752 -25.459 1.00 34.21 C ATOM 0 H LEU A 64 -12.937 14.974 -22.991 1.00 25.15 H new ATOM 0 HA LEU A 64 -10.116 14.679 -22.753 1.00 74.21 H new ATOM 0 HB2 LEU A 64 -12.014 16.454 -24.272 1.00 60.43 H new ATOM 0 HB3 LEU A 64 -10.316 16.887 -24.243 1.00 60.43 H new ATOM 0 HG LEU A 64 -11.258 14.136 -25.113 1.00 51.51 H new ATOM 0 HD11 LEU A 64 -11.071 14.988 -27.446 1.00 32.11 H new ATOM 0 HD12 LEU A 64 -12.332 15.853 -26.536 1.00 32.11 H new ATOM 0 HD13 LEU A 64 -10.751 16.621 -26.814 1.00 32.11 H new ATOM 0 HD21 LEU A 64 -9.096 14.062 -26.289 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -8.694 15.672 -25.647 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -8.888 14.295 -24.537 1.00 34.21 H new ATOM 967 N PHE A 65 -11.447 17.303 -21.296 1.00 23.32 N ATOM 968 CA PHE A 65 -11.155 18.354 -20.332 1.00 75.30 C ATOM 969 C PHE A 65 -10.772 17.765 -18.968 1.00 52.12 C ATOM 970 O PHE A 65 -10.009 18.362 -18.225 1.00 72.41 O ATOM 971 CB PHE A 65 -12.352 19.288 -20.170 1.00 34.33 C ATOM 972 CG PHE A 65 -12.704 20.091 -21.421 1.00 51.25 C ATOM 973 CD1 PHE A 65 -11.767 20.310 -22.469 1.00 61.05 C ATOM 974 CD2 PHE A 65 -13.989 20.655 -21.539 1.00 43.03 C ATOM 975 CE1 PHE A 65 -12.121 21.089 -23.602 1.00 44.21 C ATOM 976 CE2 PHE A 65 -14.344 21.437 -22.670 1.00 25.43 C ATOM 977 CZ PHE A 65 -13.406 21.659 -23.696 1.00 25.55 C ATOM 0 H PHE A 65 -12.431 17.209 -21.547 1.00 23.32 H new ATOM 0 HA PHE A 65 -10.308 18.923 -20.716 1.00 75.30 H new ATOM 0 HB2 PHE A 65 -13.220 18.698 -19.877 1.00 34.33 H new ATOM 0 HB3 PHE A 65 -12.148 19.981 -19.354 1.00 34.33 H new ATOM 0 HD1 PHE A 65 -10.778 19.880 -22.402 1.00 61.05 H new ATOM 0 HD2 PHE A 65 -14.716 20.490 -20.757 1.00 43.03 H new ATOM 0 HE1 PHE A 65 -11.403 21.245 -24.394 1.00 44.21 H new ATOM 0 HE2 PHE A 65 -15.334 21.862 -22.743 1.00 25.43 H new ATOM 0 HZ PHE A 65 -13.670 22.263 -24.551 1.00 25.55 H new ATOM 987 N SER A 66 -11.291 16.585 -18.661 1.00 23.43 N ATOM 988 CA SER A 66 -10.977 15.910 -17.398 1.00 55.32 C ATOM 989 C SER A 66 -9.607 15.239 -17.468 1.00 41.05 C ATOM 990 O SER A 66 -8.944 15.035 -16.448 1.00 35.25 O ATOM 991 CB SER A 66 -12.034 14.838 -17.104 1.00 71.14 C ATOM 992 OG SER A 66 -11.874 14.301 -15.815 1.00 72.43 O ATOM 0 H SER A 66 -11.932 16.071 -19.265 1.00 23.43 H new ATOM 0 HA SER A 66 -10.970 16.660 -16.607 1.00 55.32 H new ATOM 0 HB2 SER A 66 -13.030 15.271 -17.199 1.00 71.14 H new ATOM 0 HB3 SER A 66 -11.962 14.041 -17.844 1.00 71.14 H new ATOM 0 HG SER A 66 -12.562 13.622 -15.656 1.00 72.43 H new ATOM 998 N SER A 67 -9.207 14.847 -18.672 1.00 53.21 N ATOM 999 CA SER A 67 -7.946 14.146 -18.890 1.00 0.13 C ATOM 1000 C SER A 67 -7.462 14.448 -20.309 1.00 31.11 C ATOM 1001 O SER A 67 -7.930 13.845 -21.271 1.00 51.50 O ATOM 1002 CB SER A 67 -8.164 12.641 -18.732 1.00 42.33 C ATOM 1003 OG SER A 67 -8.565 12.326 -17.424 1.00 22.05 O ATOM 0 H SER A 67 -9.746 15.005 -19.523 1.00 53.21 H new ATOM 0 HA SER A 67 -7.203 14.476 -18.164 1.00 0.13 H new ATOM 0 HB2 SER A 67 -8.921 12.303 -19.440 1.00 42.33 H new ATOM 0 HB3 SER A 67 -7.243 12.109 -18.972 1.00 42.33 H new ATOM 0 HG SER A 67 -8.700 11.358 -17.347 1.00 22.05 H new ATOM 1009 N PRO A 68 -6.515 15.391 -20.459 1.00 62.44 N ATOM 1010 CA PRO A 68 -6.079 15.764 -21.810 1.00 13.43 C ATOM 1011 C PRO A 68 -5.078 14.819 -22.466 1.00 63.03 C ATOM 1012 O PRO A 68 -4.516 15.155 -23.506 1.00 72.11 O ATOM 1013 CB PRO A 68 -5.428 17.140 -21.572 1.00 74.45 C ATOM 1014 CG PRO A 68 -4.821 16.995 -20.235 1.00 55.42 C ATOM 1015 CD PRO A 68 -5.841 16.222 -19.440 1.00 32.43 C ATOM 0 HA PRO A 68 -6.920 15.743 -22.503 1.00 13.43 H new ATOM 0 HB2 PRO A 68 -4.681 17.369 -22.332 1.00 74.45 H new ATOM 0 HB3 PRO A 68 -6.164 17.944 -21.596 1.00 74.45 H new ATOM 0 HG2 PRO A 68 -3.871 16.463 -20.286 1.00 55.42 H new ATOM 0 HG3 PRO A 68 -4.619 17.966 -19.783 1.00 55.42 H new ATOM 0 HD2 PRO A 68 -5.370 15.610 -18.670 1.00 32.43 H new ATOM 0 HD3 PRO A 68 -6.543 16.885 -18.935 1.00 32.43 H new ATOM 1023 N THR A 69 -4.820 13.665 -21.864 1.00 51.43 N ATOM 1024 CA THR A 69 -3.846 12.718 -22.415 1.00 15.53 C ATOM 1025 C THR A 69 -4.542 11.542 -23.060 1.00 23.02 C ATOM 1026 O THR A 69 -5.654 11.201 -22.665 1.00 71.53 O ATOM 1027 CB THR A 69 -2.897 12.186 -21.329 1.00 5.02 C ATOM 1028 OG1 THR A 69 -3.654 11.538 -20.311 1.00 2.01 O ATOM 1029 CG2 THR A 69 -2.157 13.299 -20.690 1.00 72.32 C ATOM 0 H THR A 69 -5.266 13.359 -20.999 1.00 51.43 H new ATOM 0 HA THR A 69 -3.268 13.263 -23.161 1.00 15.53 H new ATOM 0 HB THR A 69 -2.199 11.495 -21.802 1.00 5.02 H new ATOM 0 HG1 THR A 69 -3.049 11.197 -19.620 1.00 2.01 H new ATOM 0 HG21 THR A 69 -1.491 12.901 -19.924 1.00 72.32 H new ATOM 0 HG22 THR A 69 -1.571 13.826 -21.443 1.00 72.32 H new ATOM 0 HG23 THR A 69 -2.864 13.990 -20.232 1.00 72.32 H new ATOM 1037 N PRO A 70 -3.925 10.905 -24.069 1.00 23.54 N ATOM 1038 CA PRO A 70 -4.673 9.824 -24.720 1.00 12.35 C ATOM 1039 C PRO A 70 -4.887 8.608 -23.812 1.00 64.43 C ATOM 1040 O PRO A 70 -5.957 7.968 -23.865 1.00 73.23 O ATOM 1041 CB PRO A 70 -3.791 9.494 -25.945 1.00 44.42 C ATOM 1042 CG PRO A 70 -2.459 9.857 -25.522 1.00 53.53 C ATOM 1043 CD PRO A 70 -2.623 11.103 -24.720 1.00 64.45 C ATOM 0 HA PRO A 70 -5.690 10.116 -24.983 1.00 12.35 H new ATOM 0 HB2 PRO A 70 -3.853 8.438 -26.209 1.00 44.42 H new ATOM 0 HB3 PRO A 70 -4.099 10.061 -26.824 1.00 44.42 H new ATOM 0 HG2 PRO A 70 -2.006 9.064 -24.927 1.00 53.53 H new ATOM 0 HG3 PRO A 70 -1.807 10.025 -26.379 1.00 53.53 H new ATOM 0 HD2 PRO A 70 -1.821 11.223 -23.992 1.00 64.45 H new ATOM 0 HD3 PRO A 70 -2.617 11.993 -25.350 1.00 64.45 H new ATOM 1051 N ALA A 71 -3.937 8.308 -22.915 1.00 23.43 N ATOM 1052 CA ALA A 71 -4.157 7.202 -22.017 1.00 32.22 C ATOM 1053 C ALA A 71 -5.092 7.609 -20.871 1.00 43.32 C ATOM 1054 O ALA A 71 -5.863 6.793 -20.348 1.00 65.33 O ATOM 1055 CB ALA A 71 -2.793 6.746 -21.410 1.00 13.25 C ATOM 0 H ALA A 71 -3.051 8.800 -22.805 1.00 23.43 H new ATOM 0 HA ALA A 71 -4.615 6.389 -22.580 1.00 32.22 H new ATOM 0 HB1 ALA A 71 -2.958 5.910 -20.731 1.00 13.25 H new ATOM 0 HB2 ALA A 71 -2.124 6.435 -22.212 1.00 13.25 H new ATOM 0 HB3 ALA A 71 -2.343 7.574 -20.863 1.00 13.25 H new ATOM 1061 N GLY A 72 -5.019 8.869 -20.496 1.00 5.21 N ATOM 1062 CA GLY A 72 -5.870 9.328 -19.411 1.00 51.32 C ATOM 1063 C GLY A 72 -7.301 9.399 -19.843 1.00 12.11 C ATOM 1064 O GLY A 72 -8.198 8.922 -19.145 1.00 32.35 O ATOM 0 H GLY A 72 -4.405 9.573 -20.906 1.00 5.21 H new ATOM 0 HA2 GLY A 72 -5.777 8.653 -18.561 1.00 51.32 H new ATOM 0 HA3 GLY A 72 -5.539 10.311 -19.075 1.00 51.32 H new ATOM 1068 N VAL A 73 -7.518 9.905 -21.021 1.00 44.42 N ATOM 1069 CA VAL A 73 -8.877 10.038 -21.525 1.00 43.21 C ATOM 1070 C VAL A 73 -9.512 8.639 -21.723 1.00 34.15 C ATOM 1071 O VAL A 73 -10.659 8.437 -21.392 1.00 24.23 O ATOM 1072 CB VAL A 73 -8.947 10.949 -22.817 1.00 51.13 C ATOM 1073 CG1 VAL A 73 -8.639 10.225 -24.080 1.00 13.24 C ATOM 1074 CG2 VAL A 73 -10.295 11.583 -22.938 1.00 34.12 C ATOM 0 H VAL A 73 -6.789 10.233 -21.654 1.00 44.42 H new ATOM 0 HA VAL A 73 -9.475 10.561 -20.779 1.00 43.21 H new ATOM 0 HB VAL A 73 -8.175 11.706 -22.683 1.00 51.13 H new ATOM 0 HG11 VAL A 73 -8.707 10.915 -24.921 1.00 13.24 H new ATOM 0 HG12 VAL A 73 -7.630 9.815 -24.028 1.00 13.24 H new ATOM 0 HG13 VAL A 73 -9.354 9.414 -24.218 1.00 13.24 H new ATOM 0 HG21 VAL A 73 -10.325 12.206 -23.832 1.00 34.12 H new ATOM 0 HG22 VAL A 73 -11.057 10.807 -23.011 1.00 34.12 H new ATOM 0 HG23 VAL A 73 -10.487 12.199 -22.060 1.00 34.12 H new ATOM 1084 N ALA A 74 -8.717 7.662 -22.145 1.00 64.24 N ATOM 1085 CA ALA A 74 -9.174 6.304 -22.342 1.00 35.22 C ATOM 1086 C ALA A 74 -9.656 5.697 -21.020 1.00 1.02 C ATOM 1087 O ALA A 74 -10.668 5.008 -20.984 1.00 52.11 O ATOM 1088 CB ALA A 74 -8.057 5.437 -22.926 1.00 70.31 C ATOM 0 H ALA A 74 -7.729 7.798 -22.360 1.00 64.24 H new ATOM 0 HA ALA A 74 -10.007 6.331 -23.045 1.00 35.22 H new ATOM 0 HB1 ALA A 74 -8.422 4.419 -23.066 1.00 70.31 H new ATOM 0 HB2 ALA A 74 -7.744 5.846 -23.887 1.00 70.31 H new ATOM 0 HB3 ALA A 74 -7.209 5.427 -22.242 1.00 70.31 H new ATOM 1094 N ARG A 75 -8.948 5.955 -19.942 1.00 20.44 N ATOM 1095 CA ARG A 75 -9.335 5.437 -18.636 1.00 62.40 C ATOM 1096 C ARG A 75 -10.514 6.213 -18.076 1.00 51.35 C ATOM 1097 O ARG A 75 -11.388 5.645 -17.398 1.00 35.30 O ATOM 1098 CB ARG A 75 -8.130 5.482 -17.688 1.00 50.32 C ATOM 1099 CG ARG A 75 -7.026 4.539 -18.176 1.00 32.23 C ATOM 1100 CD ARG A 75 -5.834 4.543 -17.235 1.00 24.01 C ATOM 1101 NE ARG A 75 -5.623 3.196 -16.678 1.00 1.33 N ATOM 1102 CZ ARG A 75 -4.945 2.216 -17.266 1.00 62.54 C ATOM 1103 NH1 ARG A 75 -4.365 2.338 -18.436 1.00 25.33 N ATOM 1104 NH2 ARG A 75 -4.848 1.070 -16.659 1.00 50.30 N ATOM 0 H ARG A 75 -8.099 6.521 -19.938 1.00 20.44 H new ATOM 0 HA ARG A 75 -9.653 4.400 -18.741 1.00 62.40 H new ATOM 0 HB2 ARG A 75 -7.746 6.500 -17.627 1.00 50.32 H new ATOM 0 HB3 ARG A 75 -8.440 5.198 -16.682 1.00 50.32 H new ATOM 0 HG2 ARG A 75 -7.421 3.527 -18.260 1.00 32.23 H new ATOM 0 HG3 ARG A 75 -6.704 4.839 -19.173 1.00 32.23 H new ATOM 0 HD2 ARG A 75 -4.941 4.868 -17.769 1.00 24.01 H new ATOM 0 HD3 ARG A 75 -6.001 5.257 -16.428 1.00 24.01 H new ATOM 0 HE ARG A 75 -6.032 2.999 -15.764 1.00 1.33 H new ATOM 0 HH11 ARG A 75 -4.421 3.221 -18.944 1.00 25.33 H new ATOM 0 HH12 ARG A 75 -3.857 1.550 -18.838 1.00 25.33 H new ATOM 0 HH21 ARG A 75 -5.288 0.936 -15.749 1.00 50.30 H new ATOM 0 HH22 ARG A 75 -4.332 0.305 -17.093 1.00 50.30 H new ATOM 1118 N ALA A 76 -10.563 7.503 -18.357 1.00 65.41 N ATOM 1119 CA ALA A 76 -11.660 8.337 -17.898 1.00 33.25 C ATOM 1120 C ALA A 76 -12.988 7.930 -18.539 1.00 34.31 C ATOM 1121 O ALA A 76 -13.973 7.715 -17.829 1.00 30.04 O ATOM 1122 CB ALA A 76 -11.339 9.823 -18.205 1.00 24.13 C ATOM 0 H ALA A 76 -9.855 7.996 -18.901 1.00 65.41 H new ATOM 0 HA ALA A 76 -11.769 8.201 -16.822 1.00 33.25 H new ATOM 0 HB1 ALA A 76 -12.161 10.451 -17.862 1.00 24.13 H new ATOM 0 HB2 ALA A 76 -10.422 10.111 -17.690 1.00 24.13 H new ATOM 0 HB3 ALA A 76 -11.208 9.952 -19.279 1.00 24.13 H new ATOM 1128 N LEU A 77 -13.014 7.777 -19.856 1.00 3.53 N ATOM 1129 CA LEU A 77 -14.228 7.342 -20.533 1.00 52.23 C ATOM 1130 C LEU A 77 -14.615 5.938 -20.146 1.00 72.05 C ATOM 1131 O LEU A 77 -15.795 5.624 -20.046 1.00 14.11 O ATOM 1132 CB LEU A 77 -14.072 7.458 -22.080 1.00 40.15 C ATOM 1133 CG LEU A 77 -12.905 6.669 -22.707 1.00 64.42 C ATOM 1134 CD1 LEU A 77 -13.232 5.271 -23.235 1.00 13.15 C ATOM 1135 CD2 LEU A 77 -12.369 7.504 -23.853 1.00 25.34 C ATOM 0 H LEU A 77 -12.218 7.945 -20.471 1.00 3.53 H new ATOM 0 HA LEU A 77 -15.031 8.005 -20.212 1.00 52.23 H new ATOM 0 HB2 LEU A 77 -15.000 7.124 -22.544 1.00 40.15 H new ATOM 0 HB3 LEU A 77 -13.950 8.511 -22.334 1.00 40.15 H new ATOM 0 HG LEU A 77 -12.190 6.497 -21.902 1.00 64.42 H new ATOM 0 HD11 LEU A 77 -12.331 4.819 -23.651 1.00 13.15 H new ATOM 0 HD12 LEU A 77 -13.605 4.652 -22.419 1.00 13.15 H new ATOM 0 HD13 LEU A 77 -13.993 5.344 -24.012 1.00 13.15 H new ATOM 0 HD21 LEU A 77 -11.538 6.981 -24.327 1.00 25.34 H new ATOM 0 HD22 LEU A 77 -13.160 7.667 -24.585 1.00 25.34 H new ATOM 0 HD23 LEU A 77 -12.023 8.465 -23.472 1.00 25.34 H new