USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.6) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 134:sc= -0.0972 (180deg=-0.533) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= 0.254 (180deg=0.086) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0416 X(o=-0.042,f=-0.079) USER MOD Single : A 80 THR OG1 : rot -156:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 151 N LYS A 51 -2.133 -5.159 -0.866 1.00 41.11 N ATOM 152 CA LYS A 51 -1.851 -3.956 -0.093 1.00 30.11 C ATOM 153 C LYS A 51 -1.769 -2.732 -1.001 1.00 32.25 C ATOM 154 O LYS A 51 -2.278 -1.663 -0.666 1.00 61.00 O ATOM 155 CB LYS A 51 -0.541 -4.117 0.682 1.00 51.00 C ATOM 156 CG LYS A 51 -0.737 -4.548 2.125 1.00 52.13 C ATOM 157 CD LYS A 51 0.475 -4.211 2.977 1.00 44.24 C ATOM 158 CE LYS A 51 0.364 -4.814 4.368 1.00 70.50 C ATOM 159 NZ LYS A 51 0.234 -6.297 4.321 1.00 34.34 N ATOM 0 HA LYS A 51 -2.668 -3.809 0.613 1.00 30.11 H new ATOM 0 HB2 LYS A 51 0.084 -4.851 0.174 1.00 51.00 H new ATOM 0 HB3 LYS A 51 0.000 -3.171 0.664 1.00 51.00 H new ATOM 0 HG2 LYS A 51 -1.619 -4.057 2.536 1.00 52.13 H new ATOM 0 HG3 LYS A 51 -0.923 -5.621 2.163 1.00 52.13 H new ATOM 0 HD2 LYS A 51 1.377 -4.581 2.490 1.00 44.24 H new ATOM 0 HD3 LYS A 51 0.576 -3.129 3.056 1.00 44.24 H new ATOM 0 HE2 LYS A 51 1.244 -4.545 4.952 1.00 70.50 H new ATOM 0 HE3 LYS A 51 -0.500 -4.390 4.880 1.00 70.50 H new ATOM 0 HZ1 LYS A 51 0.876 -6.724 5.019 1.00 34.34 H new ATOM 0 HZ2 LYS A 51 -0.746 -6.567 4.541 1.00 34.34 H new ATOM 0 HZ3 LYS A 51 0.481 -6.637 3.370 1.00 34.34 H new ATOM 173 N VAL A 52 -1.127 -2.899 -2.153 1.00 52.41 N ATOM 174 CA VAL A 52 -0.982 -1.809 -3.110 1.00 44.44 C ATOM 175 C VAL A 52 -2.205 -1.704 -4.016 1.00 23.34 C ATOM 176 O VAL A 52 -2.772 -0.626 -4.188 1.00 32.11 O ATOM 177 CB VAL A 52 0.275 -1.992 -3.983 1.00 14.54 C ATOM 178 CG1 VAL A 52 0.528 -0.749 -4.822 1.00 11.05 C ATOM 179 CG2 VAL A 52 1.482 -2.316 -3.116 1.00 43.12 C ATOM 0 H VAL A 52 -0.700 -3.778 -2.446 1.00 52.41 H new ATOM 0 HA VAL A 52 -0.884 -0.891 -2.530 1.00 44.44 H new ATOM 0 HB VAL A 52 0.108 -2.829 -4.660 1.00 14.54 H new ATOM 0 HG11 VAL A 52 1.419 -0.897 -5.432 1.00 11.05 H new ATOM 0 HG12 VAL A 52 -0.329 -0.567 -5.470 1.00 11.05 H new ATOM 0 HG13 VAL A 52 0.675 0.109 -4.166 1.00 11.05 H new ATOM 0 HG21 VAL A 52 2.361 -2.442 -3.748 1.00 43.12 H new ATOM 0 HG22 VAL A 52 1.654 -1.501 -2.413 1.00 43.12 H new ATOM 0 HG23 VAL A 52 1.297 -3.238 -2.564 1.00 43.12 H new ATOM 189 N ASP A 53 -2.604 -2.833 -4.591 1.00 35.25 N ATOM 190 CA ASP A 53 -3.763 -2.871 -5.477 1.00 4.44 C ATOM 191 C ASP A 53 -4.977 -2.232 -4.812 1.00 33.45 C ATOM 192 O ASP A 53 -5.845 -1.674 -5.483 1.00 44.31 O ATOM 193 CB ASP A 53 -4.082 -4.313 -5.874 1.00 4.22 C ATOM 194 CG ASP A 53 -5.184 -4.398 -6.910 1.00 72.13 C ATOM 195 OD1 ASP A 53 -5.680 -5.517 -7.160 1.00 62.01 O ATOM 196 OD2 ASP A 53 -5.554 -3.345 -7.471 1.00 1.03 O ATOM 0 H ASP A 53 -2.143 -3.733 -4.460 1.00 35.25 H new ATOM 0 HA ASP A 53 -3.522 -2.301 -6.374 1.00 4.44 H new ATOM 0 HB2 ASP A 53 -3.182 -4.786 -6.266 1.00 4.22 H new ATOM 0 HB3 ASP A 53 -4.377 -4.874 -4.987 1.00 4.22 H new ATOM 202 N PHE A 54 -5.034 -2.320 -3.487 1.00 72.40 N ATOM 203 CA PHE A 54 -6.144 -1.754 -2.730 1.00 53.23 C ATOM 204 C PHE A 54 -6.211 -0.240 -2.913 1.00 61.51 C ATOM 205 O PHE A 54 -7.122 0.278 -3.560 1.00 43.41 O ATOM 206 CB PHE A 54 -6.002 -2.092 -1.245 1.00 74.51 C ATOM 207 CG PHE A 54 -7.213 -1.733 -0.430 1.00 4.01 C ATOM 208 CD1 PHE A 54 -8.245 -2.641 -0.259 1.00 23.31 C ATOM 209 CD2 PHE A 54 -7.316 -0.487 0.167 1.00 11.42 C ATOM 210 CE1 PHE A 54 -9.358 -2.312 0.490 1.00 75.05 C ATOM 211 CE2 PHE A 54 -8.428 -0.152 0.917 1.00 0.43 C ATOM 212 CZ PHE A 54 -9.450 -1.067 1.080 1.00 61.11 C ATOM 0 H PHE A 54 -4.324 -2.778 -2.915 1.00 72.40 H new ATOM 0 HA PHE A 54 -7.068 -2.190 -3.108 1.00 53.23 H new ATOM 0 HB2 PHE A 54 -5.807 -3.159 -1.140 1.00 74.51 H new ATOM 0 HB3 PHE A 54 -5.135 -1.568 -0.843 1.00 74.51 H new ATOM 0 HD1 PHE A 54 -8.179 -3.617 -0.716 1.00 23.31 H new ATOM 0 HD2 PHE A 54 -6.518 0.231 0.045 1.00 11.42 H new ATOM 0 HE1 PHE A 54 -10.156 -3.029 0.614 1.00 75.05 H new ATOM 0 HE2 PHE A 54 -8.498 0.824 1.375 1.00 0.43 H new ATOM 0 HZ PHE A 54 -10.319 -0.809 1.667 1.00 61.11 H new ATOM 222 N PHE A 55 -5.240 0.462 -2.340 1.00 11.41 N ATOM 223 CA PHE A 55 -5.189 1.917 -2.438 1.00 2.34 C ATOM 224 C PHE A 55 -5.130 2.362 -3.896 1.00 61.14 C ATOM 225 O PHE A 55 -5.505 3.487 -4.229 1.00 30.55 O ATOM 226 CB PHE A 55 -3.975 2.458 -1.679 1.00 21.43 C ATOM 227 CG PHE A 55 -4.203 2.590 -0.200 1.00 41.21 C ATOM 228 CD1 PHE A 55 -4.968 3.629 0.306 1.00 42.31 C ATOM 229 CD2 PHE A 55 -3.654 1.675 0.683 1.00 33.24 C ATOM 230 CE1 PHE A 55 -5.178 3.753 1.666 1.00 43.20 C ATOM 231 CE2 PHE A 55 -3.862 1.794 2.045 1.00 63.21 C ATOM 232 CZ PHE A 55 -4.626 2.835 2.536 1.00 21.35 C ATOM 0 H PHE A 55 -4.478 0.048 -1.803 1.00 11.41 H new ATOM 0 HA PHE A 55 -6.098 2.318 -1.990 1.00 2.34 H new ATOM 0 HB2 PHE A 55 -3.125 1.797 -1.850 1.00 21.43 H new ATOM 0 HB3 PHE A 55 -3.707 3.433 -2.086 1.00 21.43 H new ATOM 0 HD1 PHE A 55 -5.405 4.349 -0.370 1.00 42.31 H new ATOM 0 HD2 PHE A 55 -3.057 0.859 0.304 1.00 33.24 H new ATOM 0 HE1 PHE A 55 -5.774 4.568 2.048 1.00 43.20 H new ATOM 0 HE2 PHE A 55 -3.428 1.074 2.723 1.00 63.21 H new ATOM 0 HZ PHE A 55 -4.791 2.930 3.599 1.00 21.35 H new ATOM 242 N ARG A 56 -4.657 1.471 -4.762 1.00 1.13 N ATOM 243 CA ARG A 56 -4.547 1.772 -6.184 1.00 64.50 C ATOM 244 C ARG A 56 -5.920 2.047 -6.789 1.00 60.51 C ATOM 245 O ARG A 56 -6.040 2.753 -7.792 1.00 25.52 O ATOM 246 CB ARG A 56 -3.876 0.611 -6.921 1.00 44.33 C ATOM 247 CG ARG A 56 -2.358 0.636 -6.843 1.00 52.53 C ATOM 248 CD ARG A 56 -1.743 1.208 -8.111 1.00 72.24 C ATOM 249 NE ARG A 56 -2.083 0.413 -9.289 1.00 70.10 N ATOM 250 CZ ARG A 56 -2.024 0.879 -10.533 1.00 12.15 C ATOM 251 NH1 ARG A 56 -1.641 2.128 -10.758 1.00 31.45 N ATOM 252 NH2 ARG A 56 -2.348 0.095 -11.552 1.00 71.42 N ATOM 0 H ARG A 56 -4.344 0.535 -4.503 1.00 1.13 H new ATOM 0 HA ARG A 56 -3.935 2.667 -6.295 1.00 64.50 H new ATOM 0 HB2 ARG A 56 -4.237 -0.330 -6.505 1.00 44.33 H new ATOM 0 HB3 ARG A 56 -4.178 0.633 -7.968 1.00 44.33 H new ATOM 0 HG2 ARG A 56 -2.047 1.233 -5.985 1.00 52.53 H new ATOM 0 HG3 ARG A 56 -1.984 -0.375 -6.680 1.00 52.53 H new ATOM 0 HD2 ARG A 56 -2.089 2.232 -8.252 1.00 72.24 H new ATOM 0 HD3 ARG A 56 -0.659 1.250 -8.002 1.00 72.24 H new ATOM 0 HE ARG A 56 -2.382 -0.552 -9.149 1.00 70.10 H new ATOM 0 HH11 ARG A 56 -1.391 2.733 -9.976 1.00 31.45 H new ATOM 0 HH12 ARG A 56 -1.596 2.484 -11.713 1.00 31.45 H new ATOM 0 HH21 ARG A 56 -2.643 -0.867 -11.382 1.00 71.42 H new ATOM 0 HH22 ARG A 56 -2.302 0.453 -12.506 1.00 71.42 H new ATOM 266 N LYS A 57 -6.955 1.485 -6.174 1.00 54.45 N ATOM 267 CA LYS A 57 -8.321 1.669 -6.650 1.00 1.31 C ATOM 268 C LYS A 57 -9.000 2.824 -5.921 1.00 52.32 C ATOM 269 O LYS A 57 -9.965 3.405 -6.420 1.00 42.44 O ATOM 270 CB LYS A 57 -9.128 0.384 -6.457 1.00 31.03 C ATOM 271 CG LYS A 57 -9.739 0.253 -5.072 1.00 20.52 C ATOM 272 CD LYS A 57 -9.737 -1.191 -4.596 1.00 53.24 C ATOM 273 CE LYS A 57 -9.924 -1.282 -3.089 1.00 41.14 C ATOM 274 NZ LYS A 57 -10.681 -2.503 -2.697 1.00 14.22 N ATOM 0 H LYS A 57 -6.874 0.898 -5.344 1.00 54.45 H new ATOM 0 HA LYS A 57 -8.280 1.908 -7.713 1.00 1.31 H new ATOM 0 HB2 LYS A 57 -9.924 0.349 -7.201 1.00 31.03 H new ATOM 0 HB3 LYS A 57 -8.481 -0.473 -6.642 1.00 31.03 H new ATOM 0 HG2 LYS A 57 -9.181 0.870 -4.367 1.00 20.52 H new ATOM 0 HG3 LYS A 57 -10.761 0.631 -5.087 1.00 20.52 H new ATOM 0 HD2 LYS A 57 -10.534 -1.741 -5.096 1.00 53.24 H new ATOM 0 HD3 LYS A 57 -8.797 -1.666 -4.876 1.00 53.24 H new ATOM 0 HE2 LYS A 57 -8.949 -1.287 -2.602 1.00 41.14 H new ATOM 0 HE3 LYS A 57 -10.453 -0.397 -2.735 1.00 41.14 H new ATOM 0 HZ1 LYS A 57 -10.426 -2.773 -1.726 1.00 14.22 H new ATOM 0 HZ2 LYS A 57 -11.702 -2.309 -2.746 1.00 14.22 H new ATOM 0 HZ3 LYS A 57 -10.445 -3.281 -3.346 1.00 14.22 H new ATOM 288 N LEU A 58 -8.491 3.152 -4.738 1.00 74.52 N ATOM 289 CA LEU A 58 -9.048 4.239 -3.941 1.00 34.11 C ATOM 290 C LEU A 58 -8.950 5.567 -4.685 1.00 60.43 C ATOM 291 O LEU A 58 -9.672 6.515 -4.382 1.00 73.21 O ATOM 292 CB LEU A 58 -8.320 4.338 -2.599 1.00 72.12 C ATOM 293 CG LEU A 58 -9.001 3.656 -1.413 1.00 73.13 C ATOM 294 CD1 LEU A 58 -10.276 4.394 -1.032 1.00 42.34 C ATOM 295 CD2 LEU A 58 -9.303 2.200 -1.736 1.00 65.54 C ATOM 0 H LEU A 58 -7.694 2.681 -4.310 1.00 74.52 H new ATOM 0 HA LEU A 58 -10.101 4.022 -3.762 1.00 34.11 H new ATOM 0 HB2 LEU A 58 -7.325 3.909 -2.716 1.00 72.12 H new ATOM 0 HB3 LEU A 58 -8.186 5.393 -2.358 1.00 72.12 H new ATOM 0 HG LEU A 58 -8.320 3.685 -0.562 1.00 73.13 H new ATOM 0 HD11 LEU A 58 -10.747 3.894 -0.186 1.00 42.34 H new ATOM 0 HD12 LEU A 58 -10.034 5.421 -0.758 1.00 42.34 H new ATOM 0 HD13 LEU A 58 -10.962 4.397 -1.879 1.00 42.34 H new ATOM 0 HD21 LEU A 58 -9.788 1.730 -0.880 1.00 65.54 H new ATOM 0 HD22 LEU A 58 -9.964 2.149 -2.601 1.00 65.54 H new ATOM 0 HD23 LEU A 58 -8.373 1.676 -1.959 1.00 65.54 H new ATOM 307 N GLY A 59 -8.051 5.626 -5.663 1.00 2.11 N ATOM 308 CA GLY A 59 -7.876 6.841 -6.437 1.00 31.31 C ATOM 309 C GLY A 59 -6.518 7.477 -6.219 1.00 10.41 C ATOM 310 O GLY A 59 -6.362 8.690 -6.365 1.00 23.41 O ATOM 0 H GLY A 59 -7.441 4.854 -5.933 1.00 2.11 H new ATOM 0 HA2 GLY A 59 -8.002 6.615 -7.496 1.00 31.31 H new ATOM 0 HA3 GLY A 59 -8.655 7.554 -6.169 1.00 31.31 H new ATOM 314 N TYR A 60 -5.533 6.659 -5.867 1.00 65.42 N ATOM 315 CA TYR A 60 -4.181 7.149 -5.624 1.00 74.04 C ATOM 316 C TYR A 60 -3.264 6.824 -6.799 1.00 50.15 C ATOM 317 O TYR A 60 -3.698 6.254 -7.801 1.00 52.22 O ATOM 318 CB TYR A 60 -3.617 6.538 -4.340 1.00 71.51 C ATOM 319 CG TYR A 60 -4.115 7.210 -3.081 1.00 13.45 C ATOM 320 CD1 TYR A 60 -3.717 8.500 -2.754 1.00 5.24 C ATOM 321 CD2 TYR A 60 -4.984 6.555 -2.217 1.00 73.31 C ATOM 322 CE1 TYR A 60 -4.168 9.118 -1.604 1.00 3.44 C ATOM 323 CE2 TYR A 60 -5.443 7.166 -1.066 1.00 10.11 C ATOM 324 CZ TYR A 60 -5.032 8.447 -0.764 1.00 23.03 C ATOM 325 OH TYR A 60 -5.484 9.058 0.383 1.00 12.30 O ATOM 0 H TYR A 60 -5.645 5.653 -5.743 1.00 65.42 H new ATOM 0 HA TYR A 60 -4.230 8.232 -5.513 1.00 74.04 H new ATOM 0 HB2 TYR A 60 -3.879 5.480 -4.305 1.00 71.51 H new ATOM 0 HB3 TYR A 60 -2.529 6.596 -4.367 1.00 71.51 H new ATOM 0 HD1 TYR A 60 -3.043 9.029 -3.411 1.00 5.24 H new ATOM 0 HD2 TYR A 60 -5.306 5.551 -2.449 1.00 73.31 H new ATOM 0 HE1 TYR A 60 -3.846 10.121 -1.364 1.00 3.44 H new ATOM 0 HE2 TYR A 60 -6.120 6.643 -0.407 1.00 10.11 H new ATOM 0 HH TYR A 60 -6.085 8.450 0.862 1.00 12.30 H new ATOM 335 N SER A 61 -1.994 7.192 -6.670 1.00 5.02 N ATOM 336 CA SER A 61 -1.015 6.944 -7.722 1.00 1.52 C ATOM 337 C SER A 61 -0.137 5.745 -7.374 1.00 41.24 C ATOM 338 O SER A 61 0.308 5.597 -6.236 1.00 73.15 O ATOM 339 CB SER A 61 -0.144 8.183 -7.939 1.00 50.23 C ATOM 340 OG SER A 61 0.151 8.365 -9.314 1.00 21.41 O ATOM 0 H SER A 61 -1.618 7.663 -5.847 1.00 5.02 H new ATOM 0 HA SER A 61 -1.555 6.722 -8.643 1.00 1.52 H new ATOM 0 HB2 SER A 61 -0.657 9.064 -7.554 1.00 50.23 H new ATOM 0 HB3 SER A 61 0.783 8.083 -7.375 1.00 50.23 H new ATOM 0 HG SER A 61 0.707 9.164 -9.426 1.00 21.41 H new ATOM 346 N SER A 62 0.109 4.893 -8.366 1.00 12.05 N ATOM 347 CA SER A 62 0.930 3.705 -8.165 1.00 72.14 C ATOM 348 C SER A 62 2.300 4.079 -7.608 1.00 43.33 C ATOM 349 O SER A 62 2.816 3.421 -6.705 1.00 45.40 O ATOM 350 CB SER A 62 1.093 2.944 -9.482 1.00 53.53 C ATOM 351 OG SER A 62 0.673 3.733 -10.582 1.00 52.12 O ATOM 0 H SER A 62 -0.248 5.004 -9.315 1.00 12.05 H new ATOM 0 HA SER A 62 0.426 3.063 -7.442 1.00 72.14 H new ATOM 0 HB2 SER A 62 2.136 2.657 -9.613 1.00 53.53 H new ATOM 0 HB3 SER A 62 0.511 2.023 -9.448 1.00 53.53 H new ATOM 0 HG SER A 62 0.789 3.225 -11.412 1.00 52.12 H new ATOM 357 N SER A 63 2.884 5.141 -8.154 1.00 15.43 N ATOM 358 CA SER A 63 4.196 5.603 -7.716 1.00 10.03 C ATOM 359 C SER A 63 4.162 6.024 -6.250 1.00 2.43 C ATOM 360 O SER A 63 5.183 6.008 -5.564 1.00 45.13 O ATOM 361 CB SER A 63 4.665 6.771 -8.583 1.00 43.45 C ATOM 362 OG SER A 63 5.965 7.196 -8.209 1.00 65.23 O ATOM 0 H SER A 63 2.469 5.698 -8.901 1.00 15.43 H new ATOM 0 HA SER A 63 4.899 4.777 -7.823 1.00 10.03 H new ATOM 0 HB2 SER A 63 4.664 6.473 -9.631 1.00 43.45 H new ATOM 0 HB3 SER A 63 3.966 7.602 -8.488 1.00 43.45 H new ATOM 0 HG SER A 63 6.242 7.943 -8.780 1.00 65.23 H new ATOM 368 N GLU A 64 2.979 6.403 -5.777 1.00 35.34 N ATOM 369 CA GLU A 64 2.811 6.831 -4.393 1.00 21.41 C ATOM 370 C GLU A 64 2.677 5.627 -3.464 1.00 53.21 C ATOM 371 O GLU A 64 3.434 5.485 -2.503 1.00 74.43 O ATOM 372 CB GLU A 64 1.580 7.730 -4.259 1.00 42.41 C ATOM 373 CG GLU A 64 1.687 9.027 -5.043 1.00 74.15 C ATOM 374 CD GLU A 64 2.145 10.191 -4.187 1.00 50.43 C ATOM 375 OE1 GLU A 64 1.753 10.246 -3.002 1.00 23.50 O ATOM 376 OE2 GLU A 64 2.895 11.048 -4.700 1.00 54.40 O ATOM 0 H GLU A 64 2.123 6.422 -6.331 1.00 35.34 H new ATOM 0 HA GLU A 64 3.698 7.395 -4.104 1.00 21.41 H new ATOM 0 HB2 GLU A 64 0.701 7.182 -4.598 1.00 42.41 H new ATOM 0 HB3 GLU A 64 1.424 7.963 -3.206 1.00 42.41 H new ATOM 0 HG2 GLU A 64 2.386 8.891 -5.869 1.00 74.15 H new ATOM 0 HG3 GLU A 64 0.717 9.263 -5.481 1.00 74.15 H new ATOM 384 N ILE A 65 1.710 4.765 -3.758 1.00 32.50 N ATOM 385 CA ILE A 65 1.477 3.574 -2.951 1.00 31.55 C ATOM 386 C ILE A 65 2.685 2.644 -2.983 1.00 23.21 C ATOM 387 O ILE A 65 3.049 2.045 -1.970 1.00 74.40 O ATOM 388 CB ILE A 65 0.235 2.801 -3.433 1.00 23.44 C ATOM 389 CG1 ILE A 65 -1.006 3.692 -3.363 1.00 53.23 C ATOM 390 CG2 ILE A 65 0.038 1.543 -2.599 1.00 11.11 C ATOM 391 CD1 ILE A 65 -2.118 3.254 -4.291 1.00 25.51 C ATOM 0 H ILE A 65 1.075 4.869 -4.549 1.00 32.50 H new ATOM 0 HA ILE A 65 1.309 3.913 -1.929 1.00 31.55 H new ATOM 0 HB ILE A 65 0.389 2.506 -4.471 1.00 23.44 H new ATOM 0 HG12 ILE A 65 -1.380 3.700 -2.339 1.00 53.23 H new ATOM 0 HG13 ILE A 65 -0.722 4.716 -3.607 1.00 53.23 H new ATOM 0 HG21 ILE A 65 -0.843 1.007 -2.951 1.00 11.11 H new ATOM 0 HG22 ILE A 65 0.914 0.902 -2.695 1.00 11.11 H new ATOM 0 HG23 ILE A 65 -0.098 1.818 -1.553 1.00 11.11 H new ATOM 0 HD11 ILE A 65 -2.966 3.931 -4.188 1.00 25.51 H new ATOM 0 HD12 ILE A 65 -1.761 3.273 -5.321 1.00 25.51 H new ATOM 0 HD13 ILE A 65 -2.429 2.242 -4.034 1.00 25.51 H new ATOM 403 N HIS A 66 3.306 2.528 -4.153 1.00 33.10 N ATOM 404 CA HIS A 66 4.476 1.672 -4.316 1.00 14.00 C ATOM 405 C HIS A 66 5.691 2.275 -3.617 1.00 61.51 C ATOM 406 O HIS A 66 6.620 1.559 -3.241 1.00 53.11 O ATOM 407 CB HIS A 66 4.778 1.464 -5.801 1.00 33.22 C ATOM 408 CG HIS A 66 5.561 0.219 -6.084 1.00 21.35 C ATOM 409 ND1 HIS A 66 6.903 0.230 -6.403 1.00 54.41 N ATOM 410 CD2 HIS A 66 5.185 -1.081 -6.091 1.00 51.13 C ATOM 411 CE1 HIS A 66 7.317 -1.009 -6.597 1.00 12.12 C ATOM 412 NE2 HIS A 66 6.294 -1.824 -6.414 1.00 24.30 N ATOM 0 H HIS A 66 3.019 3.016 -5.002 1.00 33.10 H new ATOM 0 HA HIS A 66 4.257 0.707 -3.859 1.00 14.00 H new ATOM 0 HB2 HIS A 66 3.839 1.426 -6.353 1.00 33.22 H new ATOM 0 HB3 HIS A 66 5.332 2.325 -6.175 1.00 33.22 H new ATOM 0 HD2 HIS A 66 4.197 -1.463 -5.882 1.00 51.13 H new ATOM 0 HE1 HIS A 66 8.322 -1.305 -6.861 1.00 12.12 H new ATOM 0 HE2 HIS A 66 6.323 -2.840 -6.499 1.00 24.30 H new ATOM 421 N SER A 67 5.677 3.592 -3.448 1.00 3.22 N ATOM 422 CA SER A 67 6.781 4.290 -2.799 1.00 10.43 C ATOM 423 C SER A 67 6.746 4.076 -1.288 1.00 13.30 C ATOM 424 O SER A 67 7.673 3.512 -0.707 1.00 54.12 O ATOM 425 CB SER A 67 6.721 5.786 -3.114 1.00 45.41 C ATOM 426 OG SER A 67 7.311 6.551 -2.076 1.00 62.34 O ATOM 0 H SER A 67 4.914 4.198 -3.751 1.00 3.22 H new ATOM 0 HA SER A 67 7.714 3.881 -3.185 1.00 10.43 H new ATOM 0 HB2 SER A 67 7.237 5.984 -4.054 1.00 45.41 H new ATOM 0 HB3 SER A 67 5.683 6.091 -3.250 1.00 45.41 H new ATOM 0 HG SER A 67 7.261 7.503 -2.302 1.00 62.34 H new ATOM 432 N VAL A 68 5.668 4.532 -0.657 1.00 13.00 N ATOM 433 CA VAL A 68 5.509 4.390 0.785 1.00 51.03 C ATOM 434 C VAL A 68 5.712 2.943 1.221 1.00 54.22 C ATOM 435 O VAL A 68 6.249 2.676 2.296 1.00 11.11 O ATOM 436 CB VAL A 68 4.118 4.863 1.246 1.00 52.33 C ATOM 437 CG1 VAL A 68 3.942 6.349 0.974 1.00 1.12 C ATOM 438 CG2 VAL A 68 3.026 4.055 0.561 1.00 61.45 C ATOM 0 H VAL A 68 4.892 5.003 -1.122 1.00 13.00 H new ATOM 0 HA VAL A 68 6.270 5.017 1.250 1.00 51.03 H new ATOM 0 HB VAL A 68 4.037 4.702 2.321 1.00 52.33 H new ATOM 0 HG11 VAL A 68 2.953 6.665 1.306 1.00 1.12 H new ATOM 0 HG12 VAL A 68 4.703 6.911 1.515 1.00 1.12 H new ATOM 0 HG13 VAL A 68 4.043 6.538 -0.095 1.00 1.12 H new ATOM 0 HG21 VAL A 68 2.050 4.403 0.899 1.00 61.45 H new ATOM 0 HG22 VAL A 68 3.103 4.182 -0.519 1.00 61.45 H new ATOM 0 HG23 VAL A 68 3.142 3.001 0.812 1.00 61.45 H new ATOM 448 N LEU A 69 5.279 2.012 0.379 1.00 61.33 N ATOM 449 CA LEU A 69 5.413 0.589 0.675 1.00 2.32 C ATOM 450 C LEU A 69 6.854 0.126 0.482 1.00 14.15 C ATOM 451 O LEU A 69 7.334 -0.751 1.198 1.00 25.11 O ATOM 452 CB LEU A 69 4.478 -0.229 -0.217 1.00 50.30 C ATOM 453 CG LEU A 69 3.111 -0.571 0.378 1.00 45.53 C ATOM 454 CD1 LEU A 69 3.255 -1.598 1.490 1.00 53.21 C ATOM 455 CD2 LEU A 69 2.425 0.685 0.893 1.00 4.25 C ATOM 0 H LEU A 69 4.832 2.216 -0.515 1.00 61.33 H new ATOM 0 HA LEU A 69 5.137 0.433 1.718 1.00 2.32 H new ATOM 0 HB2 LEU A 69 4.321 0.321 -1.145 1.00 50.30 H new ATOM 0 HB3 LEU A 69 4.981 -1.160 -0.479 1.00 50.30 H new ATOM 0 HG LEU A 69 2.491 -1.003 -0.408 1.00 45.53 H new ATOM 0 HD11 LEU A 69 2.272 -1.829 1.901 1.00 53.21 H new ATOM 0 HD12 LEU A 69 3.704 -2.507 1.090 1.00 53.21 H new ATOM 0 HD13 LEU A 69 3.892 -1.195 2.277 1.00 53.21 H new ATOM 0 HD21 LEU A 69 1.454 0.423 1.313 1.00 4.25 H new ATOM 0 HD22 LEU A 69 3.042 1.146 1.665 1.00 4.25 H new ATOM 0 HD23 LEU A 69 2.287 1.387 0.071 1.00 4.25 H new ATOM 467 N GLN A 70 7.537 0.725 -0.489 1.00 32.15 N ATOM 468 CA GLN A 70 8.922 0.374 -0.774 1.00 4.24 C ATOM 469 C GLN A 70 9.821 0.691 0.417 1.00 10.21 C ATOM 470 O GLN A 70 10.848 0.046 0.623 1.00 24.32 O ATOM 471 CB GLN A 70 9.415 1.123 -2.014 1.00 10.12 C ATOM 472 CG GLN A 70 10.876 0.859 -2.343 1.00 72.54 C ATOM 473 CD GLN A 70 11.411 1.794 -3.410 1.00 13.35 C ATOM 474 OE1 GLN A 70 10.678 2.625 -3.949 1.00 22.14 O ATOM 475 NE2 GLN A 70 12.696 1.664 -3.721 1.00 11.25 N ATOM 0 H GLN A 70 7.154 1.454 -1.090 1.00 32.15 H new ATOM 0 HA GLN A 70 8.967 -0.698 -0.964 1.00 4.24 H new ATOM 0 HB2 GLN A 70 8.801 0.838 -2.869 1.00 10.12 H new ATOM 0 HB3 GLN A 70 9.273 2.193 -1.862 1.00 10.12 H new ATOM 0 HG2 GLN A 70 11.474 0.967 -1.438 1.00 72.54 H new ATOM 0 HG3 GLN A 70 10.989 -0.172 -2.679 1.00 72.54 H new ATOM 0 HE21 GLN A 70 13.266 0.962 -3.249 1.00 11.25 H new ATOM 0 HE22 GLN A 70 13.112 2.266 -4.431 1.00 11.25 H new ATOM 484 N LYS A 71 9.427 1.691 1.198 1.00 3.43 N ATOM 485 CA LYS A 71 10.196 2.096 2.370 1.00 70.50 C ATOM 486 C LYS A 71 9.694 1.383 3.622 1.00 50.35 C ATOM 487 O LYS A 71 10.477 0.802 4.374 1.00 72.33 O ATOM 488 CB LYS A 71 10.110 3.611 2.563 1.00 21.11 C ATOM 489 CG LYS A 71 11.219 4.378 1.864 1.00 61.34 C ATOM 490 CD LYS A 71 10.921 4.564 0.385 1.00 3.34 C ATOM 491 CE LYS A 71 11.504 3.433 -0.447 1.00 51.02 C ATOM 492 NZ LYS A 71 12.895 3.729 -0.890 1.00 62.12 N ATOM 0 H LYS A 71 8.579 2.236 1.041 1.00 3.43 H new ATOM 0 HA LYS A 71 11.237 1.816 2.206 1.00 70.50 H new ATOM 0 HB2 LYS A 71 9.147 3.962 2.191 1.00 21.11 H new ATOM 0 HB3 LYS A 71 10.141 3.835 3.629 1.00 21.11 H new ATOM 0 HG2 LYS A 71 11.343 5.352 2.337 1.00 61.34 H new ATOM 0 HG3 LYS A 71 12.162 3.844 1.982 1.00 61.34 H new ATOM 0 HD2 LYS A 71 9.843 4.610 0.233 1.00 3.34 H new ATOM 0 HD3 LYS A 71 11.332 5.515 0.047 1.00 3.34 H new ATOM 0 HE2 LYS A 71 11.497 2.512 0.136 1.00 51.02 H new ATOM 0 HE3 LYS A 71 10.874 3.262 -1.320 1.00 51.02 H new ATOM 0 HZ1 LYS A 71 13.256 2.934 -1.454 1.00 62.12 H new ATOM 0 HZ2 LYS A 71 12.899 4.594 -1.468 1.00 62.12 H new ATOM 0 HZ3 LYS A 71 13.503 3.867 -0.057 1.00 62.12 H new ATOM 506 N LEU A 72 8.385 1.432 3.840 1.00 73.54 N ATOM 507 CA LEU A 72 7.777 0.789 5.000 1.00 4.54 C ATOM 508 C LEU A 72 7.975 -0.722 4.952 1.00 61.34 C ATOM 509 O LEU A 72 8.551 -1.313 5.864 1.00 71.03 O ATOM 510 CB LEU A 72 6.285 1.117 5.067 1.00 13.31 C ATOM 511 CG LEU A 72 5.910 2.380 5.844 1.00 74.02 C ATOM 512 CD1 LEU A 72 6.729 3.568 5.361 1.00 70.24 C ATOM 513 CD2 LEU A 72 4.422 2.667 5.709 1.00 35.21 C ATOM 0 H LEU A 72 7.723 1.911 3.229 1.00 73.54 H new ATOM 0 HA LEU A 72 8.267 1.173 5.895 1.00 4.54 H new ATOM 0 HB2 LEU A 72 5.909 1.216 4.049 1.00 13.31 H new ATOM 0 HB3 LEU A 72 5.767 0.270 5.517 1.00 13.31 H new ATOM 0 HG LEU A 72 6.134 2.214 6.898 1.00 74.02 H new ATOM 0 HD11 LEU A 72 6.448 4.457 5.925 1.00 70.24 H new ATOM 0 HD12 LEU A 72 7.789 3.364 5.510 1.00 70.24 H new ATOM 0 HD13 LEU A 72 6.537 3.735 4.301 1.00 70.24 H new ATOM 0 HD21 LEU A 72 4.173 3.569 6.268 1.00 35.21 H new ATOM 0 HD22 LEU A 72 4.173 2.812 4.658 1.00 35.21 H new ATOM 0 HD23 LEU A 72 3.852 1.826 6.104 1.00 35.21 H new ATOM 525 N GLY A 73 7.494 -1.343 3.878 1.00 2.44 N ATOM 526 CA GLY A 73 7.630 -2.780 3.729 1.00 64.44 C ATOM 527 C GLY A 73 6.363 -3.524 4.100 1.00 73.12 C ATOM 528 O GLY A 73 5.259 -3.081 3.781 1.00 20.31 O ATOM 0 H GLY A 73 7.013 -0.876 3.109 1.00 2.44 H new ATOM 0 HA2 GLY A 73 7.895 -3.012 2.697 1.00 64.44 H new ATOM 0 HA3 GLY A 73 8.450 -3.131 4.355 1.00 64.44 H new ATOM 532 N VAL A 74 6.520 -4.659 4.775 1.00 55.31 N ATOM 533 CA VAL A 74 5.379 -5.466 5.189 1.00 50.03 C ATOM 534 C VAL A 74 5.005 -5.186 6.641 1.00 45.25 C ATOM 535 O VAL A 74 3.859 -5.378 7.045 1.00 71.43 O ATOM 536 CB VAL A 74 5.666 -6.970 5.026 1.00 64.02 C ATOM 537 CG1 VAL A 74 4.473 -7.794 5.483 1.00 71.42 C ATOM 538 CG2 VAL A 74 6.024 -7.290 3.582 1.00 71.12 C ATOM 0 H VAL A 74 7.426 -5.040 5.046 1.00 55.31 H new ATOM 0 HA VAL A 74 4.546 -5.190 4.542 1.00 50.03 H new ATOM 0 HB VAL A 74 6.518 -7.230 5.654 1.00 64.02 H new ATOM 0 HG11 VAL A 74 4.695 -8.854 5.360 1.00 71.42 H new ATOM 0 HG12 VAL A 74 4.267 -7.585 6.533 1.00 71.42 H new ATOM 0 HG13 VAL A 74 3.600 -7.534 4.884 1.00 71.42 H new ATOM 0 HG21 VAL A 74 6.224 -8.357 3.485 1.00 71.12 H new ATOM 0 HG22 VAL A 74 5.193 -7.016 2.932 1.00 71.12 H new ATOM 0 HG23 VAL A 74 6.912 -6.727 3.294 1.00 71.12 H new ATOM 548 N GLN A 75 5.981 -4.729 7.419 1.00 21.35 N ATOM 549 CA GLN A 75 5.754 -4.422 8.826 1.00 33.00 C ATOM 550 C GLN A 75 4.804 -3.239 8.979 1.00 32.34 C ATOM 551 O GLN A 75 4.259 -3.004 10.058 1.00 40.02 O ATOM 552 CB GLN A 75 7.081 -4.119 9.524 1.00 1.04 C ATOM 553 CG GLN A 75 7.855 -2.974 8.890 1.00 31.43 C ATOM 554 CD GLN A 75 9.211 -2.761 9.532 1.00 11.11 C ATOM 555 OE1 GLN A 75 9.311 -2.526 10.737 1.00 53.11 O ATOM 556 NE2 GLN A 75 10.266 -2.841 8.729 1.00 75.33 N ATOM 0 H GLN A 75 6.935 -4.563 7.099 1.00 21.35 H new ATOM 0 HA GLN A 75 5.297 -5.294 9.293 1.00 33.00 H new ATOM 0 HB2 GLN A 75 6.886 -3.880 10.569 1.00 1.04 H new ATOM 0 HB3 GLN A 75 7.701 -5.016 9.513 1.00 1.04 H new ATOM 0 HG2 GLN A 75 7.988 -3.175 7.827 1.00 31.43 H new ATOM 0 HG3 GLN A 75 7.271 -2.057 8.970 1.00 31.43 H new ATOM 0 HE21 GLN A 75 10.138 -3.038 7.736 1.00 75.33 H new ATOM 0 HE22 GLN A 75 11.204 -2.706 9.105 1.00 75.33 H new ATOM 565 N ALA A 76 4.610 -2.498 7.894 1.00 61.55 N ATOM 566 CA ALA A 76 3.724 -1.340 7.907 1.00 31.54 C ATOM 567 C ALA A 76 2.355 -1.704 8.472 1.00 21.12 C ATOM 568 O ALA A 76 2.047 -2.879 8.670 1.00 33.24 O ATOM 569 CB ALA A 76 3.584 -0.767 6.505 1.00 23.24 C ATOM 0 H ALA A 76 5.055 -2.679 6.994 1.00 61.55 H new ATOM 0 HA ALA A 76 4.165 -0.582 8.554 1.00 31.54 H new ATOM 0 HB1 ALA A 76 2.920 0.097 6.530 1.00 23.24 H new ATOM 0 HB2 ALA A 76 4.564 -0.461 6.137 1.00 23.24 H new ATOM 0 HB3 ALA A 76 3.168 -1.526 5.842 1.00 23.24 H new ATOM 575 N ASP A 77 1.537 -0.689 8.728 1.00 45.20 N ATOM 576 CA ASP A 77 0.200 -0.901 9.270 1.00 40.31 C ATOM 577 C ASP A 77 -0.837 -0.106 8.483 1.00 3.32 C ATOM 578 O ASP A 77 -0.498 0.823 7.749 1.00 61.22 O ATOM 579 CB ASP A 77 0.155 -0.502 10.746 1.00 64.50 C ATOM 580 CG ASP A 77 1.464 -0.777 11.460 1.00 34.43 C ATOM 581 OD1 ASP A 77 2.035 0.171 12.039 1.00 63.42 O ATOM 582 OD2 ASP A 77 1.917 -1.942 11.441 1.00 12.31 O ATOM 0 H ASP A 77 1.777 0.290 8.569 1.00 45.20 H new ATOM 0 HA ASP A 77 -0.037 -1.961 9.182 1.00 40.31 H new ATOM 0 HB2 ASP A 77 -0.083 0.559 10.826 1.00 64.50 H new ATOM 0 HB3 ASP A 77 -0.648 -1.047 11.242 1.00 64.50 H new ATOM 588 N THR A 78 -2.104 -0.477 8.641 1.00 74.40 N ATOM 589 CA THR A 78 -3.191 0.200 7.944 1.00 24.21 C ATOM 590 C THR A 78 -3.132 1.707 8.165 1.00 4.24 C ATOM 591 O THR A 78 -3.507 2.486 7.291 1.00 43.11 O ATOM 592 CB THR A 78 -4.564 -0.322 8.406 1.00 13.22 C ATOM 593 OG1 THR A 78 -4.579 -1.753 8.382 1.00 21.33 O ATOM 594 CG2 THR A 78 -5.675 0.216 7.516 1.00 30.31 C ATOM 0 H THR A 78 -2.403 -1.242 9.245 1.00 74.40 H new ATOM 0 HA THR A 78 -3.067 -0.013 6.882 1.00 24.21 H new ATOM 0 HB THR A 78 -4.735 0.025 9.425 1.00 13.22 H new ATOM 0 HG1 THR A 78 -5.455 -2.076 8.679 1.00 21.33 H new ATOM 0 HG21 THR A 78 -6.635 -0.166 7.862 1.00 30.31 H new ATOM 0 HG22 THR A 78 -5.681 1.305 7.560 1.00 30.31 H new ATOM 0 HG23 THR A 78 -5.505 -0.105 6.488 1.00 30.31 H new ATOM 602 N ASN A 79 -2.657 2.110 9.339 1.00 24.14 N ATOM 603 CA ASN A 79 -2.548 3.525 9.674 1.00 65.02 C ATOM 604 C ASN A 79 -1.300 4.138 9.047 1.00 63.03 C ATOM 605 O ASN A 79 -1.346 5.236 8.490 1.00 44.02 O ATOM 606 CB ASN A 79 -2.512 3.710 11.192 1.00 30.42 C ATOM 607 CG ASN A 79 -3.398 2.714 11.917 1.00 14.31 C ATOM 608 OD1 ASN A 79 -4.566 2.539 11.570 1.00 51.23 O ATOM 609 ND2 ASN A 79 -2.845 2.057 12.930 1.00 54.54 N ATOM 0 H ASN A 79 -2.342 1.477 10.074 1.00 24.14 H new ATOM 0 HA ASN A 79 -3.423 4.036 9.273 1.00 65.02 H new ATOM 0 HB2 ASN A 79 -1.486 3.603 11.544 1.00 30.42 H new ATOM 0 HB3 ASN A 79 -2.830 4.723 11.440 1.00 30.42 H new ATOM 0 HD21 ASN A 79 -3.392 1.375 13.455 1.00 54.54 H new ATOM 0 HD22 ASN A 79 -1.873 2.234 13.183 1.00 54.54 H new ATOM 616 N THR A 80 -0.184 3.421 9.140 1.00 41.32 N ATOM 617 CA THR A 80 1.077 3.895 8.583 1.00 61.35 C ATOM 618 C THR A 80 0.913 4.306 7.124 1.00 43.32 C ATOM 619 O THR A 80 1.260 5.423 6.740 1.00 14.42 O ATOM 620 CB THR A 80 2.174 2.817 8.680 1.00 15.44 C ATOM 621 OG1 THR A 80 1.929 1.971 9.809 1.00 3.41 O ATOM 622 CG2 THR A 80 3.549 3.455 8.806 1.00 42.45 C ATOM 0 H THR A 80 -0.128 2.510 9.596 1.00 41.32 H new ATOM 0 HA THR A 80 1.377 4.762 9.171 1.00 61.35 H new ATOM 0 HB THR A 80 2.150 2.221 7.768 1.00 15.44 H new ATOM 0 HG1 THR A 80 2.770 1.557 10.096 1.00 3.41 H new ATOM 0 HG21 THR A 80 4.307 2.675 8.873 1.00 42.45 H new ATOM 0 HG22 THR A 80 3.743 4.076 7.932 1.00 42.45 H new ATOM 0 HG23 THR A 80 3.583 4.072 9.704 1.00 42.45 H new ATOM 630 N VAL A 81 0.382 3.396 6.313 1.00 53.43 N ATOM 631 CA VAL A 81 0.170 3.665 4.896 1.00 42.43 C ATOM 632 C VAL A 81 -0.593 4.969 4.692 1.00 10.32 C ATOM 633 O VAL A 81 -0.105 5.891 4.036 1.00 12.03 O ATOM 634 CB VAL A 81 -0.602 2.520 4.216 1.00 31.52 C ATOM 635 CG1 VAL A 81 -0.697 2.755 2.716 1.00 35.13 C ATOM 636 CG2 VAL A 81 0.060 1.182 4.513 1.00 63.43 C ATOM 0 H VAL A 81 0.091 2.466 6.614 1.00 53.43 H new ATOM 0 HA VAL A 81 1.156 3.749 4.440 1.00 42.43 H new ATOM 0 HB VAL A 81 -1.614 2.498 4.620 1.00 31.52 H new ATOM 0 HG11 VAL A 81 -1.246 1.935 2.253 1.00 35.13 H new ATOM 0 HG12 VAL A 81 -1.219 3.693 2.527 1.00 35.13 H new ATOM 0 HG13 VAL A 81 0.306 2.805 2.291 1.00 35.13 H new ATOM 0 HG21 VAL A 81 -0.499 0.383 4.025 1.00 63.43 H new ATOM 0 HG22 VAL A 81 1.083 1.191 4.138 1.00 63.43 H new ATOM 0 HG23 VAL A 81 0.070 1.012 5.590 1.00 63.43 H new ATOM 646 N LEU A 82 -1.792 5.041 5.258 1.00 71.41 N ATOM 647 CA LEU A 82 -2.625 6.233 5.139 1.00 22.35 C ATOM 648 C LEU A 82 -1.848 7.481 5.545 1.00 23.13 C ATOM 649 O LEU A 82 -1.838 8.479 4.825 1.00 4.05 O ATOM 650 CB LEU A 82 -3.877 6.092 6.007 1.00 4.55 C ATOM 651 CG LEU A 82 -4.796 4.917 5.673 1.00 13.45 C ATOM 652 CD1 LEU A 82 -5.575 4.483 6.906 1.00 12.11 C ATOM 653 CD2 LEU A 82 -5.746 5.287 4.544 1.00 1.31 C ATOM 0 H LEU A 82 -2.210 4.288 5.804 1.00 71.41 H new ATOM 0 HA LEU A 82 -2.924 6.337 4.096 1.00 22.35 H new ATOM 0 HB2 LEU A 82 -3.565 5.999 7.047 1.00 4.55 H new ATOM 0 HB3 LEU A 82 -4.455 7.013 5.929 1.00 4.55 H new ATOM 0 HG LEU A 82 -4.180 4.081 5.343 1.00 13.45 H new ATOM 0 HD11 LEU A 82 -6.224 3.646 6.650 1.00 12.11 H new ATOM 0 HD12 LEU A 82 -4.879 4.177 7.687 1.00 12.11 H new ATOM 0 HD13 LEU A 82 -6.181 5.315 7.265 1.00 12.11 H new ATOM 0 HD21 LEU A 82 -6.393 4.439 4.320 1.00 1.31 H new ATOM 0 HD22 LEU A 82 -6.356 6.138 4.846 1.00 1.31 H new ATOM 0 HD23 LEU A 82 -5.171 5.550 3.656 1.00 1.31 H new ATOM 665 N GLY A 83 -1.196 7.418 6.703 1.00 75.23 N ATOM 666 CA GLY A 83 -0.424 8.548 7.183 1.00 55.31 C ATOM 667 C GLY A 83 0.560 9.059 6.149 1.00 14.31 C ATOM 668 O GLY A 83 0.623 10.259 5.883 1.00 11.01 O ATOM 0 H GLY A 83 -1.189 6.603 7.317 1.00 75.23 H new ATOM 0 HA2 GLY A 83 -1.102 9.354 7.464 1.00 55.31 H new ATOM 0 HA3 GLY A 83 0.118 8.258 8.083 1.00 55.31 H new ATOM 672 N GLU A 84 1.331 8.145 5.567 1.00 14.44 N ATOM 673 CA GLU A 84 2.319 8.512 4.559 1.00 10.44 C ATOM 674 C GLU A 84 1.669 9.283 3.414 1.00 34.23 C ATOM 675 O GLU A 84 2.219 10.270 2.923 1.00 20.22 O ATOM 676 CB GLU A 84 3.014 7.262 4.016 1.00 33.31 C ATOM 677 CG GLU A 84 3.726 6.448 5.084 1.00 52.02 C ATOM 678 CD GLU A 84 5.128 6.954 5.363 1.00 21.11 C ATOM 679 OE1 GLU A 84 5.731 7.562 4.454 1.00 41.31 O ATOM 680 OE2 GLU A 84 5.622 6.743 6.491 1.00 65.31 O ATOM 0 H GLU A 84 1.291 7.147 5.776 1.00 14.44 H new ATOM 0 HA GLU A 84 3.061 9.156 5.032 1.00 10.44 H new ATOM 0 HB2 GLU A 84 2.275 6.631 3.523 1.00 33.31 H new ATOM 0 HB3 GLU A 84 3.737 7.560 3.256 1.00 33.31 H new ATOM 0 HG2 GLU A 84 3.144 6.475 6.005 1.00 52.02 H new ATOM 0 HG3 GLU A 84 3.776 5.406 4.769 1.00 52.02 H new ATOM 688 N LEU A 85 0.494 8.827 2.994 1.00 34.50 N ATOM 689 CA LEU A 85 -0.233 9.472 1.907 1.00 50.40 C ATOM 690 C LEU A 85 -0.796 10.819 2.351 1.00 23.34 C ATOM 691 O LEU A 85 -0.912 11.750 1.554 1.00 64.02 O ATOM 692 CB LEU A 85 -1.367 8.570 1.417 1.00 33.42 C ATOM 693 CG LEU A 85 -0.969 7.148 1.022 1.00 72.22 C ATOM 694 CD1 LEU A 85 -2.203 6.274 0.856 1.00 51.24 C ATOM 695 CD2 LEU A 85 -0.146 7.160 -0.258 1.00 32.10 C ATOM 0 H LEU A 85 0.025 8.013 3.390 1.00 34.50 H new ATOM 0 HA LEU A 85 0.466 9.643 1.088 1.00 50.40 H new ATOM 0 HB2 LEU A 85 -2.122 8.510 2.201 1.00 33.42 H new ATOM 0 HB3 LEU A 85 -1.838 9.046 0.557 1.00 33.42 H new ATOM 0 HG LEU A 85 -0.357 6.728 1.820 1.00 72.22 H new ATOM 0 HD11 LEU A 85 -1.899 5.266 0.575 1.00 51.24 H new ATOM 0 HD12 LEU A 85 -2.753 6.238 1.796 1.00 51.24 H new ATOM 0 HD13 LEU A 85 -2.842 6.691 0.078 1.00 51.24 H new ATOM 0 HD21 LEU A 85 0.128 6.139 -0.524 1.00 32.10 H new ATOM 0 HD22 LEU A 85 -0.733 7.599 -1.064 1.00 32.10 H new ATOM 0 HD23 LEU A 85 0.757 7.750 -0.104 1.00 32.10 H new ATOM 707 N VAL A 86 -1.142 10.916 3.631 1.00 75.11 N ATOM 708 CA VAL A 86 -1.690 12.149 4.184 1.00 24.22 C ATOM 709 C VAL A 86 -0.646 13.260 4.190 1.00 63.30 C ATOM 710 O VAL A 86 -0.972 14.435 4.026 1.00 71.05 O ATOM 711 CB VAL A 86 -2.208 11.939 5.619 1.00 51.31 C ATOM 712 CG1 VAL A 86 -2.743 13.243 6.189 1.00 3.54 C ATOM 713 CG2 VAL A 86 -3.277 10.857 5.646 1.00 10.24 C ATOM 0 H VAL A 86 -1.052 10.155 4.304 1.00 75.11 H new ATOM 0 HA VAL A 86 -2.523 12.440 3.544 1.00 24.22 H new ATOM 0 HB VAL A 86 -1.377 11.612 6.243 1.00 51.31 H new ATOM 0 HG11 VAL A 86 -3.105 13.075 7.203 1.00 3.54 H new ATOM 0 HG12 VAL A 86 -1.946 13.987 6.206 1.00 3.54 H new ATOM 0 HG13 VAL A 86 -3.562 13.603 5.567 1.00 3.54 H new ATOM 0 HG21 VAL A 86 -3.632 10.722 6.668 1.00 10.24 H new ATOM 0 HG22 VAL A 86 -4.110 11.153 5.009 1.00 10.24 H new ATOM 0 HG23 VAL A 86 -2.856 9.920 5.281 1.00 10.24 H new