USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 474 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.107 USER MOD Single : A 18 MET CE :methyl 170:sc= -0.0155 (180deg=-0.202) USER MOD Single : A 19 GLN : amide:sc= -0.951 X(o=-0.95,f=-0.56) USER MOD Single : A 34 SER OG : rot 145:sc= 1.24 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.608 (180deg=0.575) USER MOD Single : A 44 MET CE :methyl 174:sc= -0.514 (180deg=-0.517) USER MOD Single : A 58 TYR OH : rot -94:sc= 0.0304 USER MOD Single : A 65 SER OG : rot 84:sc= 0.00209 USER MOD Single : A 66 SER OG : rot -168:sc= 1.62 USER MOD Single : A 74 THR OG1 : rot -77:sc= 0.253 USER MOD Single : A 76 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.0061) USER MOD Single : A 86 GLN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 -0.102 9.392 -3.033 1.00 75.55 N ATOM 164 CA ARG A 13 -0.407 8.379 -4.052 1.00 24.33 C ATOM 165 C ARG A 13 -0.118 6.973 -3.533 1.00 4.21 C ATOM 166 O ARG A 13 0.335 6.119 -4.287 1.00 72.51 O ATOM 167 CB ARG A 13 0.285 8.789 -5.364 1.00 13.41 C ATOM 168 CG ARG A 13 -0.640 9.626 -6.249 1.00 41.35 C ATOM 169 CD ARG A 13 -1.583 10.657 -5.596 1.00 54.35 C ATOM 170 NE ARG A 13 -2.893 10.058 -5.240 1.00 33.41 N ATOM 171 CZ ARG A 13 -3.514 10.000 -4.050 1.00 54.14 C ATOM 172 NH1 ARG A 13 -3.057 10.662 -3.004 1.00 61.12 N ATOM 173 NH2 ARG A 13 -4.603 9.253 -3.905 1.00 63.25 N ATOM 0 HA ARG A 13 -1.472 8.335 -4.280 1.00 24.33 H new ATOM 0 HB2 ARG A 13 1.187 9.358 -5.138 1.00 13.41 H new ATOM 0 HB3 ARG A 13 0.598 7.896 -5.905 1.00 13.41 H new ATOM 0 HG2 ARG A 13 -0.014 10.161 -6.963 1.00 41.35 H new ATOM 0 HG3 ARG A 13 -1.258 8.935 -6.823 1.00 41.35 H new ATOM 0 HD2 ARG A 13 -1.113 11.063 -4.700 1.00 54.35 H new ATOM 0 HD3 ARG A 13 -1.739 11.491 -6.280 1.00 54.35 H new ATOM 0 HE ARG A 13 -3.397 9.626 -6.014 1.00 33.41 H new ATOM 0 HH11 ARG A 13 -2.216 11.233 -3.089 1.00 61.12 H new ATOM 0 HH12 ARG A 13 -3.545 10.603 -2.110 1.00 61.12 H new ATOM 0 HH21 ARG A 13 -4.967 8.724 -4.697 1.00 63.25 H new ATOM 0 HH22 ARG A 13 -5.075 9.209 -3.002 1.00 63.25 H new ATOM 184 N THR A 14 -0.402 6.719 -2.263 1.00 34.10 N ATOM 185 CA THR A 14 0.020 5.510 -1.583 1.00 41.11 C ATOM 186 C THR A 14 -1.158 4.543 -1.477 1.00 55.45 C ATOM 187 O THR A 14 -2.301 4.964 -1.304 1.00 64.44 O ATOM 188 CB THR A 14 0.585 5.929 -0.213 1.00 60.13 C ATOM 189 OG1 THR A 14 1.596 6.908 -0.380 1.00 4.21 O ATOM 190 CG2 THR A 14 1.208 4.763 0.543 1.00 54.42 C ATOM 0 H THR A 14 -0.938 7.356 -1.673 1.00 34.10 H new ATOM 0 HA THR A 14 0.799 4.980 -2.132 1.00 41.11 H new ATOM 0 HB THR A 14 -0.259 6.316 0.358 1.00 60.13 H new ATOM 0 HG1 THR A 14 1.947 7.169 0.497 1.00 4.21 H new ATOM 0 HG21 THR A 14 1.591 5.114 1.502 1.00 54.42 H new ATOM 0 HG22 THR A 14 0.454 3.995 0.712 1.00 54.42 H new ATOM 0 HG23 THR A 14 2.026 4.345 -0.043 1.00 54.42 H new ATOM 198 N VAL A 15 -0.892 3.236 -1.518 1.00 52.11 N ATOM 199 CA VAL A 15 -1.869 2.188 -1.260 1.00 61.23 C ATOM 200 C VAL A 15 -1.360 1.326 -0.114 1.00 73.55 C ATOM 201 O VAL A 15 -0.204 0.916 -0.074 1.00 2.34 O ATOM 202 CB VAL A 15 -2.235 1.411 -2.538 1.00 12.40 C ATOM 203 CG1 VAL A 15 -2.919 2.369 -3.523 1.00 11.41 C ATOM 204 CG2 VAL A 15 -1.056 0.703 -3.217 1.00 44.22 C ATOM 0 H VAL A 15 0.035 2.872 -1.738 1.00 52.11 H new ATOM 0 HA VAL A 15 -2.818 2.622 -0.946 1.00 61.23 H new ATOM 0 HB VAL A 15 -2.908 0.610 -2.232 1.00 12.40 H new ATOM 0 HG11 VAL A 15 -3.183 1.829 -4.432 1.00 11.41 H new ATOM 0 HG12 VAL A 15 -3.822 2.775 -3.068 1.00 11.41 H new ATOM 0 HG13 VAL A 15 -2.239 3.184 -3.770 1.00 11.41 H new ATOM 0 HG21 VAL A 15 -1.408 0.182 -4.108 1.00 44.22 H new ATOM 0 HG22 VAL A 15 -0.304 1.439 -3.501 1.00 44.22 H new ATOM 0 HG23 VAL A 15 -0.617 -0.017 -2.526 1.00 44.22 H new ATOM 214 N PHE A 16 -2.228 1.114 0.865 1.00 32.22 N ATOM 215 CA PHE A 16 -1.942 0.475 2.128 1.00 70.33 C ATOM 216 C PHE A 16 -2.420 -0.971 2.076 1.00 71.21 C ATOM 217 O PHE A 16 -3.622 -1.248 2.043 1.00 11.54 O ATOM 218 CB PHE A 16 -2.609 1.276 3.246 1.00 44.00 C ATOM 219 CG PHE A 16 -2.558 0.617 4.602 1.00 44.13 C ATOM 220 CD1 PHE A 16 -1.394 -0.052 5.013 1.00 25.44 C ATOM 221 CD2 PHE A 16 -3.690 0.632 5.431 1.00 21.11 C ATOM 222 CE1 PHE A 16 -1.371 -0.754 6.220 1.00 63.41 C ATOM 223 CE2 PHE A 16 -3.652 -0.035 6.666 1.00 34.02 C ATOM 224 CZ PHE A 16 -2.498 -0.747 7.049 1.00 33.33 C ATOM 0 H PHE A 16 -3.204 1.402 0.788 1.00 32.22 H new ATOM 0 HA PHE A 16 -0.871 0.455 2.328 1.00 70.33 H new ATOM 0 HB2 PHE A 16 -2.130 2.253 3.312 1.00 44.00 H new ATOM 0 HB3 PHE A 16 -3.651 1.450 2.979 1.00 44.00 H new ATOM 0 HD1 PHE A 16 -0.511 -0.024 4.392 1.00 25.44 H new ATOM 0 HD2 PHE A 16 -4.584 1.153 5.121 1.00 21.11 H new ATOM 0 HE1 PHE A 16 -0.486 -1.300 6.512 1.00 63.41 H new ATOM 0 HE2 PHE A 16 -4.508 -0.002 7.323 1.00 34.02 H new ATOM 0 HZ PHE A 16 -2.483 -1.288 7.984 1.00 33.33 H new ATOM 233 N CYS A 17 -1.476 -1.895 2.025 1.00 21.51 N ATOM 234 CA CYS A 17 -1.689 -3.323 2.072 1.00 21.14 C ATOM 235 C CYS A 17 -1.774 -3.711 3.550 1.00 42.21 C ATOM 236 O CYS A 17 -0.826 -3.470 4.301 1.00 30.14 O ATOM 237 CB CYS A 17 -0.529 -4.037 1.358 1.00 53.13 C ATOM 238 SG CYS A 17 -0.174 -3.221 -0.228 1.00 23.54 S ATOM 0 H CYS A 17 -0.489 -1.651 1.945 1.00 21.51 H new ATOM 0 HA CYS A 17 -2.607 -3.617 1.563 1.00 21.14 H new ATOM 0 HB2 CYS A 17 0.360 -4.024 1.989 1.00 53.13 H new ATOM 0 HB3 CYS A 17 -0.785 -5.083 1.188 1.00 53.13 H new ATOM 0 HG CYS A 17 0.809 -3.832 -0.820 1.00 23.54 H new ATOM 243 N MET A 18 -2.885 -4.325 3.979 1.00 42.34 N ATOM 244 CA MET A 18 -3.110 -4.670 5.384 1.00 61.20 C ATOM 245 C MET A 18 -3.748 -6.059 5.524 1.00 44.43 C ATOM 246 O MET A 18 -4.801 -6.234 6.132 1.00 2.44 O ATOM 247 CB MET A 18 -3.991 -3.586 6.030 1.00 71.23 C ATOM 248 CG MET A 18 -3.991 -3.719 7.561 1.00 42.30 C ATOM 249 SD MET A 18 -5.002 -2.548 8.499 1.00 24.01 S ATOM 250 CE MET A 18 -6.646 -2.913 7.837 1.00 1.55 C ATOM 0 H MET A 18 -3.650 -4.595 3.361 1.00 42.34 H new ATOM 0 HA MET A 18 -2.151 -4.710 5.900 1.00 61.20 H new ATOM 0 HB2 MET A 18 -3.626 -2.599 5.747 1.00 71.23 H new ATOM 0 HB3 MET A 18 -5.011 -3.669 5.654 1.00 71.23 H new ATOM 0 HG2 MET A 18 -4.323 -4.727 7.811 1.00 42.30 H new ATOM 0 HG3 MET A 18 -2.961 -3.627 7.907 1.00 42.30 H new ATOM 0 HE1 MET A 18 -7.401 -2.403 8.436 1.00 1.55 H new ATOM 0 HE2 MET A 18 -6.708 -2.568 6.805 1.00 1.55 H new ATOM 0 HE3 MET A 18 -6.821 -3.988 7.871 1.00 1.55 H new ATOM 258 N GLN A 19 -3.149 -7.066 4.902 1.00 64.14 N ATOM 259 CA GLN A 19 -3.609 -8.446 4.999 1.00 10.24 C ATOM 260 C GLN A 19 -2.439 -9.400 4.731 1.00 41.30 C ATOM 261 O GLN A 19 -2.610 -10.468 4.142 1.00 53.54 O ATOM 262 CB GLN A 19 -4.811 -8.604 4.052 1.00 33.25 C ATOM 263 CG GLN A 19 -5.703 -9.786 4.442 1.00 1.42 C ATOM 264 CD GLN A 19 -7.113 -9.678 3.875 1.00 24.21 C ATOM 265 OE1 GLN A 19 -8.064 -10.169 4.478 1.00 50.13 O ATOM 266 NE2 GLN A 19 -7.296 -9.065 2.712 1.00 30.34 N ATOM 0 H GLN A 19 -2.325 -6.948 4.312 1.00 64.14 H new ATOM 0 HA GLN A 19 -3.956 -8.705 5.999 1.00 10.24 H new ATOM 0 HB2 GLN A 19 -5.401 -7.687 4.060 1.00 33.25 H new ATOM 0 HB3 GLN A 19 -4.452 -8.743 3.032 1.00 33.25 H new ATOM 0 HG2 GLN A 19 -5.246 -10.711 4.091 1.00 1.42 H new ATOM 0 HG3 GLN A 19 -5.758 -9.850 5.529 1.00 1.42 H new ATOM 0 HE21 GLN A 19 -6.501 -8.660 2.218 1.00 30.34 H new ATOM 0 HE22 GLN A 19 -8.232 -8.999 2.312 1.00 30.34 H new ATOM 273 N LEU A 20 -1.225 -8.957 5.085 1.00 74.22 N ATOM 274 CA LEU A 20 0.012 -9.599 4.680 1.00 32.43 C ATOM 275 C LEU A 20 0.357 -10.741 5.609 1.00 32.41 C ATOM 276 O LEU A 20 -0.154 -10.873 6.725 1.00 11.42 O ATOM 277 CB LEU A 20 1.219 -8.650 4.516 1.00 65.02 C ATOM 278 CG LEU A 20 0.926 -7.309 3.817 1.00 62.44 C ATOM 279 CD1 LEU A 20 0.175 -6.380 4.736 1.00 52.44 C ATOM 280 CD2 LEU A 20 2.220 -6.631 3.386 1.00 53.04 C ATOM 0 H LEU A 20 -1.083 -8.132 5.668 1.00 74.22 H new ATOM 0 HA LEU A 20 -0.188 -9.982 3.679 1.00 32.43 H new ATOM 0 HB2 LEU A 20 1.630 -8.441 5.504 1.00 65.02 H new ATOM 0 HB3 LEU A 20 1.993 -9.171 3.952 1.00 65.02 H new ATOM 0 HG LEU A 20 0.317 -7.524 2.939 1.00 62.44 H new ATOM 0 HD11 LEU A 20 -0.021 -5.439 4.222 1.00 52.44 H new ATOM 0 HD12 LEU A 20 -0.770 -6.840 5.025 1.00 52.44 H new ATOM 0 HD13 LEU A 20 0.773 -6.188 5.627 1.00 52.44 H new ATOM 0 HD21 LEU A 20 1.989 -5.686 2.895 1.00 53.04 H new ATOM 0 HD22 LEU A 20 2.841 -6.443 4.262 1.00 53.04 H new ATOM 0 HD23 LEU A 20 2.757 -7.279 2.693 1.00 53.04 H new ATOM 291 N ALA A 21 1.307 -11.522 5.124 1.00 31.05 N ATOM 292 CA ALA A 21 1.730 -12.786 5.699 1.00 22.44 C ATOM 293 C ALA A 21 3.076 -12.621 6.404 1.00 34.35 C ATOM 294 O ALA A 21 3.913 -11.817 5.991 1.00 22.22 O ATOM 295 CB ALA A 21 1.833 -13.836 4.585 1.00 11.35 C ATOM 0 H ALA A 21 1.827 -11.281 4.281 1.00 31.05 H new ATOM 0 HA ALA A 21 0.998 -13.114 6.436 1.00 22.44 H new ATOM 0 HB1 ALA A 21 2.150 -14.788 5.011 1.00 11.35 H new ATOM 0 HB2 ALA A 21 0.860 -13.958 4.109 1.00 11.35 H new ATOM 0 HB3 ALA A 21 2.562 -13.509 3.843 1.00 11.35 H new ATOM 301 N ALA A 22 3.323 -13.464 7.402 1.00 34.21 N ATOM 302 CA ALA A 22 4.463 -13.431 8.310 1.00 5.43 C ATOM 303 C ALA A 22 5.816 -13.792 7.657 1.00 41.50 C ATOM 304 O ALA A 22 6.783 -14.084 8.366 1.00 71.13 O ATOM 305 CB ALA A 22 4.111 -14.359 9.476 1.00 14.32 C ATOM 0 H ALA A 22 2.692 -14.237 7.611 1.00 34.21 H new ATOM 0 HA ALA A 22 4.625 -12.407 8.647 1.00 5.43 H new ATOM 0 HB1 ALA A 22 4.934 -14.373 10.191 1.00 14.32 H new ATOM 0 HB2 ALA A 22 3.208 -13.998 9.969 1.00 14.32 H new ATOM 0 HB3 ALA A 22 3.940 -15.368 9.100 1.00 14.32 H new ATOM 311 N ARG A 23 5.887 -13.823 6.320 1.00 32.35 N ATOM 312 CA ARG A 23 7.078 -14.086 5.503 1.00 24.25 C ATOM 313 C ARG A 23 7.025 -13.304 4.185 1.00 14.32 C ATOM 314 O ARG A 23 7.563 -13.763 3.175 1.00 75.20 O ATOM 315 CB ARG A 23 7.320 -15.587 5.294 1.00 55.14 C ATOM 316 CG ARG A 23 6.082 -16.342 4.804 1.00 73.33 C ATOM 317 CD ARG A 23 5.803 -17.527 5.726 1.00 52.21 C ATOM 318 NE ARG A 23 6.527 -18.741 5.315 1.00 12.11 N ATOM 319 CZ ARG A 23 6.527 -19.898 5.988 1.00 34.01 C ATOM 320 NH1 ARG A 23 5.944 -20.002 7.177 1.00 12.25 N ATOM 321 NH2 ARG A 23 7.112 -20.971 5.473 1.00 4.43 N ATOM 0 H ARG A 23 5.062 -13.654 5.744 1.00 32.35 H new ATOM 0 HA ARG A 23 7.944 -13.722 6.056 1.00 24.25 H new ATOM 0 HB2 ARG A 23 8.126 -15.720 4.573 1.00 55.14 H new ATOM 0 HB3 ARG A 23 7.656 -16.027 6.233 1.00 55.14 H new ATOM 0 HG2 ARG A 23 5.221 -15.674 4.784 1.00 73.33 H new ATOM 0 HG3 ARG A 23 6.238 -16.692 3.783 1.00 73.33 H new ATOM 0 HD2 ARG A 23 6.087 -17.265 6.745 1.00 52.21 H new ATOM 0 HD3 ARG A 23 4.732 -17.732 5.736 1.00 52.21 H new ATOM 0 HE ARG A 23 7.070 -18.697 4.452 1.00 12.11 H new ATOM 0 HH11 ARG A 23 5.486 -19.191 7.593 1.00 12.25 H new ATOM 0 HH12 ARG A 23 5.955 -20.893 7.674 1.00 12.25 H new ATOM 0 HH21 ARG A 23 7.564 -20.917 4.560 1.00 4.43 H new ATOM 0 HH22 ARG A 23 7.110 -21.851 5.989 1.00 4.43 H new ATOM 332 N ILE A 24 6.308 -12.184 4.118 1.00 33.21 N ATOM 333 CA ILE A 24 6.257 -11.354 2.917 1.00 32.34 C ATOM 334 C ILE A 24 7.601 -10.618 2.745 1.00 1.11 C ATOM 335 O ILE A 24 8.305 -10.387 3.728 1.00 21.51 O ATOM 336 CB ILE A 24 5.016 -10.439 3.038 1.00 42.40 C ATOM 337 CG1 ILE A 24 4.595 -9.785 1.710 1.00 71.32 C ATOM 338 CG2 ILE A 24 5.188 -9.357 4.116 1.00 74.10 C ATOM 339 CD1 ILE A 24 4.196 -10.794 0.632 1.00 45.14 C ATOM 0 H ILE A 24 5.748 -11.827 4.892 1.00 33.21 H new ATOM 0 HA ILE A 24 6.136 -11.935 2.002 1.00 32.34 H new ATOM 0 HB ILE A 24 4.213 -11.112 3.338 1.00 42.40 H new ATOM 0 HG12 ILE A 24 3.757 -9.113 1.895 1.00 71.32 H new ATOM 0 HG13 ILE A 24 5.418 -9.174 1.338 1.00 71.32 H new ATOM 0 HG21 ILE A 24 4.289 -8.742 4.161 1.00 74.10 H new ATOM 0 HG22 ILE A 24 5.352 -9.831 5.084 1.00 74.10 H new ATOM 0 HG23 ILE A 24 6.045 -8.730 3.869 1.00 74.10 H new ATOM 0 HD11 ILE A 24 3.911 -10.263 -0.276 1.00 45.14 H new ATOM 0 HD12 ILE A 24 5.039 -11.451 0.419 1.00 45.14 H new ATOM 0 HD13 ILE A 24 3.353 -11.388 0.984 1.00 45.14 H new ATOM 350 N ARG A 25 7.953 -10.229 1.517 1.00 61.33 N ATOM 351 CA ARG A 25 9.095 -9.359 1.177 1.00 34.24 C ATOM 352 C ARG A 25 8.522 -8.042 0.652 1.00 64.41 C ATOM 353 O ARG A 25 7.384 -8.054 0.194 1.00 33.43 O ATOM 354 CB ARG A 25 9.969 -10.003 0.077 1.00 32.53 C ATOM 355 CG ARG A 25 11.406 -10.386 0.478 1.00 71.22 C ATOM 356 CD ARG A 25 12.207 -10.782 -0.776 1.00 24.42 C ATOM 357 NE ARG A 25 13.652 -10.550 -0.624 1.00 20.54 N ATOM 358 CZ ARG A 25 14.513 -10.381 -1.633 1.00 14.33 C ATOM 359 NH1 ARG A 25 14.137 -10.583 -2.894 1.00 64.11 N ATOM 360 NH2 ARG A 25 15.754 -9.999 -1.374 1.00 2.01 N ATOM 0 H ARG A 25 7.430 -10.522 0.692 1.00 61.33 H new ATOM 0 HA ARG A 25 9.718 -9.204 2.058 1.00 34.24 H new ATOM 0 HB2 ARG A 25 9.463 -10.901 -0.279 1.00 32.53 H new ATOM 0 HB3 ARG A 25 10.022 -9.312 -0.765 1.00 32.53 H new ATOM 0 HG2 ARG A 25 11.889 -9.548 0.980 1.00 71.22 H new ATOM 0 HG3 ARG A 25 11.388 -11.214 1.186 1.00 71.22 H new ATOM 0 HD2 ARG A 25 12.033 -11.836 -0.995 1.00 24.42 H new ATOM 0 HD3 ARG A 25 11.840 -10.214 -1.631 1.00 24.42 H new ATOM 0 HE ARG A 25 14.026 -10.515 0.324 1.00 20.54 H new ATOM 0 HH11 ARG A 25 13.181 -10.871 -3.101 1.00 64.11 H new ATOM 0 HH12 ARG A 25 14.805 -10.450 -3.653 1.00 64.11 H new ATOM 0 HH21 ARG A 25 16.047 -9.836 -0.411 1.00 2.01 H new ATOM 0 HH22 ARG A 25 16.417 -9.868 -2.138 1.00 2.01 H new ATOM 371 N PRO A 26 9.281 -6.932 0.609 1.00 75.51 N ATOM 372 CA PRO A 26 8.780 -5.677 0.061 1.00 20.11 C ATOM 373 C PRO A 26 8.374 -5.803 -1.412 1.00 12.35 C ATOM 374 O PRO A 26 7.328 -5.286 -1.816 1.00 22.25 O ATOM 375 CB PRO A 26 9.902 -4.651 0.266 1.00 64.24 C ATOM 376 CG PRO A 26 11.162 -5.483 0.470 1.00 2.21 C ATOM 377 CD PRO A 26 10.636 -6.764 1.111 1.00 71.44 C ATOM 0 HA PRO A 26 7.867 -5.368 0.570 1.00 20.11 H new ATOM 0 HB2 PRO A 26 9.998 -3.993 -0.598 1.00 64.24 H new ATOM 0 HB3 PRO A 26 9.704 -4.016 1.130 1.00 64.24 H new ATOM 0 HG2 PRO A 26 11.669 -5.684 -0.474 1.00 2.21 H new ATOM 0 HG3 PRO A 26 11.879 -4.975 1.115 1.00 2.21 H new ATOM 0 HD2 PRO A 26 11.260 -7.618 0.846 1.00 71.44 H new ATOM 0 HD3 PRO A 26 10.643 -6.689 2.198 1.00 71.44 H new ATOM 382 N ARG A 27 9.186 -6.509 -2.210 1.00 13.41 N ATOM 383 CA ARG A 27 8.969 -6.613 -3.648 1.00 2.32 C ATOM 384 C ARG A 27 7.635 -7.289 -3.977 1.00 72.14 C ATOM 385 O ARG A 27 7.026 -6.964 -4.990 1.00 24.41 O ATOM 386 CB ARG A 27 10.141 -7.345 -4.328 1.00 62.21 C ATOM 387 CG ARG A 27 10.169 -7.033 -5.836 1.00 51.15 C ATOM 388 CD ARG A 27 10.606 -8.214 -6.701 1.00 23.13 C ATOM 389 NE ARG A 27 12.062 -8.349 -6.782 1.00 75.52 N ATOM 390 CZ ARG A 27 12.690 -9.129 -7.667 1.00 61.13 C ATOM 391 NH1 ARG A 27 12.004 -10.021 -8.372 1.00 62.44 N ATOM 392 NH2 ARG A 27 13.999 -8.997 -7.829 1.00 61.13 N ATOM 0 H ARG A 27 10.004 -7.018 -1.875 1.00 13.41 H new ATOM 0 HA ARG A 27 8.923 -5.598 -4.044 1.00 2.32 H new ATOM 0 HB2 ARG A 27 11.082 -7.041 -3.870 1.00 62.21 H new ATOM 0 HB3 ARG A 27 10.044 -8.420 -4.175 1.00 62.21 H new ATOM 0 HG2 ARG A 27 9.176 -6.712 -6.150 1.00 51.15 H new ATOM 0 HG3 ARG A 27 10.845 -6.196 -6.012 1.00 51.15 H new ATOM 0 HD2 ARG A 27 10.182 -9.133 -6.295 1.00 23.13 H new ATOM 0 HD3 ARG A 27 10.200 -8.093 -7.705 1.00 23.13 H new ATOM 0 HE ARG A 27 12.631 -7.816 -6.124 1.00 75.52 H new ATOM 0 HH11 ARG A 27 10.997 -10.111 -8.238 1.00 62.44 H new ATOM 0 HH12 ARG A 27 12.484 -10.616 -9.047 1.00 62.44 H new ATOM 0 HH21 ARG A 27 14.514 -8.307 -7.282 1.00 61.13 H new ATOM 0 HH22 ARG A 27 14.492 -9.586 -8.501 1.00 61.13 H new ATOM 403 N ASP A 28 7.157 -8.201 -3.131 1.00 12.02 N ATOM 404 CA ASP A 28 5.909 -8.925 -3.376 1.00 33.14 C ATOM 405 C ASP A 28 4.721 -7.962 -3.444 1.00 44.15 C ATOM 406 O ASP A 28 3.698 -8.291 -4.047 1.00 63.51 O ATOM 407 CB ASP A 28 5.634 -9.932 -2.251 1.00 31.21 C ATOM 408 CG ASP A 28 6.560 -11.145 -2.235 1.00 62.13 C ATOM 409 OD1 ASP A 28 7.793 -10.957 -2.181 1.00 63.13 O ATOM 410 OD2 ASP A 28 6.051 -12.291 -2.211 1.00 51.32 O ATOM 0 H ASP A 28 7.621 -8.458 -2.260 1.00 12.02 H new ATOM 0 HA ASP A 28 6.023 -9.445 -4.327 1.00 33.14 H new ATOM 0 HB2 ASP A 28 5.717 -9.417 -1.294 1.00 31.21 H new ATOM 0 HB3 ASP A 28 4.605 -10.280 -2.338 1.00 31.21 H new ATOM 414 N LEU A 29 4.825 -6.784 -2.815 1.00 20.23 N ATOM 415 CA LEU A 29 3.795 -5.757 -2.881 1.00 1.22 C ATOM 416 C LEU A 29 4.067 -4.845 -4.076 1.00 4.04 C ATOM 417 O LEU A 29 3.127 -4.493 -4.785 1.00 22.44 O ATOM 418 CB LEU A 29 3.678 -4.948 -1.574 1.00 60.35 C ATOM 419 CG LEU A 29 3.462 -5.715 -0.246 1.00 11.31 C ATOM 420 CD1 LEU A 29 2.581 -6.970 -0.354 1.00 50.31 C ATOM 421 CD2 LEU A 29 4.786 -6.107 0.412 1.00 20.15 C ATOM 0 H LEU A 29 5.631 -6.523 -2.246 1.00 20.23 H new ATOM 0 HA LEU A 29 2.833 -6.252 -3.013 1.00 1.22 H new ATOM 0 HB2 LEU A 29 4.586 -4.354 -1.470 1.00 60.35 H new ATOM 0 HB3 LEU A 29 2.851 -4.248 -1.691 1.00 60.35 H new ATOM 0 HG LEU A 29 2.925 -4.997 0.373 1.00 11.31 H new ATOM 0 HD11 LEU A 29 2.490 -7.436 0.627 1.00 50.31 H new ATOM 0 HD12 LEU A 29 1.592 -6.690 -0.716 1.00 50.31 H new ATOM 0 HD13 LEU A 29 3.036 -7.675 -1.050 1.00 50.31 H new ATOM 0 HD21 LEU A 29 4.586 -6.643 1.340 1.00 20.15 H new ATOM 0 HD22 LEU A 29 5.352 -6.749 -0.263 1.00 20.15 H new ATOM 0 HD23 LEU A 29 5.365 -5.209 0.629 1.00 20.15 H new ATOM 432 N GLU A 30 5.330 -4.474 -4.324 1.00 23.14 N ATOM 433 CA GLU A 30 5.652 -3.520 -5.383 1.00 40.04 C ATOM 434 C GLU A 30 5.350 -4.108 -6.776 1.00 13.31 C ATOM 435 O GLU A 30 4.931 -3.387 -7.685 1.00 55.45 O ATOM 436 CB GLU A 30 7.109 -3.011 -5.243 1.00 51.02 C ATOM 437 CG GLU A 30 8.130 -3.770 -6.102 1.00 11.24 C ATOM 438 CD GLU A 30 9.584 -3.374 -5.871 1.00 60.32 C ATOM 439 OE1 GLU A 30 10.118 -3.560 -4.757 1.00 63.21 O ATOM 440 OE2 GLU A 30 10.241 -2.967 -6.857 1.00 3.44 O ATOM 0 H GLU A 30 6.138 -4.820 -3.807 1.00 23.14 H new ATOM 0 HA GLU A 30 5.006 -2.649 -5.274 1.00 40.04 H new ATOM 0 HB2 GLU A 30 7.140 -1.955 -5.512 1.00 51.02 H new ATOM 0 HB3 GLU A 30 7.407 -3.083 -4.197 1.00 51.02 H new ATOM 0 HG2 GLU A 30 8.024 -4.837 -5.908 1.00 11.24 H new ATOM 0 HG3 GLU A 30 7.888 -3.612 -7.153 1.00 11.24 H new ATOM 445 N GLU A 31 5.562 -5.417 -6.961 1.00 35.53 N ATOM 446 CA GLU A 31 5.377 -6.073 -8.251 1.00 41.22 C ATOM 447 C GLU A 31 3.915 -6.357 -8.554 1.00 0.02 C ATOM 448 O GLU A 31 3.527 -6.435 -9.723 1.00 72.15 O ATOM 449 CB GLU A 31 6.163 -7.381 -8.319 1.00 75.13 C ATOM 450 CG GLU A 31 7.632 -7.126 -8.634 1.00 52.21 C ATOM 451 CD GLU A 31 7.867 -6.778 -10.107 1.00 60.14 C ATOM 452 OE1 GLU A 31 7.544 -5.646 -10.537 1.00 51.03 O ATOM 453 OE2 GLU A 31 8.423 -7.627 -10.836 1.00 32.33 O ATOM 0 H GLU A 31 5.866 -6.046 -6.218 1.00 35.53 H new ATOM 0 HA GLU A 31 5.753 -5.377 -9.001 1.00 41.22 H new ATOM 0 HB2 GLU A 31 6.078 -7.909 -7.369 1.00 75.13 H new ATOM 0 HB3 GLU A 31 5.732 -8.028 -9.083 1.00 75.13 H new ATOM 0 HG2 GLU A 31 7.998 -6.311 -8.009 1.00 52.21 H new ATOM 0 HG3 GLU A 31 8.214 -8.011 -8.376 1.00 52.21 H new ATOM 458 N PHE A 32 3.084 -6.478 -7.524 1.00 41.11 N ATOM 459 CA PHE A 32 1.656 -6.698 -7.700 1.00 61.52 C ATOM 460 C PHE A 32 1.027 -5.587 -8.544 1.00 4.02 C ATOM 461 O PHE A 32 0.202 -5.875 -9.407 1.00 10.00 O ATOM 462 CB PHE A 32 0.963 -6.830 -6.342 1.00 4.04 C ATOM 463 CG PHE A 32 -0.501 -7.232 -6.421 1.00 65.32 C ATOM 464 CD1 PHE A 32 -0.982 -8.046 -7.466 1.00 50.21 C ATOM 465 CD2 PHE A 32 -1.401 -6.797 -5.433 1.00 31.40 C ATOM 466 CE1 PHE A 32 -2.337 -8.386 -7.536 1.00 10.40 C ATOM 467 CE2 PHE A 32 -2.756 -7.157 -5.491 1.00 43.34 C ATOM 468 CZ PHE A 32 -3.229 -7.945 -6.549 1.00 32.12 C ATOM 0 H PHE A 32 3.381 -6.426 -6.550 1.00 41.11 H new ATOM 0 HA PHE A 32 1.517 -7.634 -8.241 1.00 61.52 H new ATOM 0 HB2 PHE A 32 1.498 -7.568 -5.745 1.00 4.04 H new ATOM 0 HB3 PHE A 32 1.038 -5.879 -5.815 1.00 4.04 H new ATOM 0 HD1 PHE A 32 -0.299 -8.410 -8.219 1.00 50.21 H new ATOM 0 HD2 PHE A 32 -1.046 -6.180 -4.621 1.00 31.40 H new ATOM 0 HE1 PHE A 32 -2.698 -8.991 -8.355 1.00 10.40 H new ATOM 0 HE2 PHE A 32 -3.435 -6.826 -4.719 1.00 43.34 H new ATOM 0 HZ PHE A 32 -4.274 -8.211 -6.603 1.00 32.12 H new ATOM 477 N PHE A 33 1.486 -4.344 -8.393 1.00 13.34 N ATOM 478 CA PHE A 33 0.938 -3.197 -9.117 1.00 41.44 C ATOM 479 C PHE A 33 1.744 -2.833 -10.375 1.00 45.05 C ATOM 480 O PHE A 33 1.331 -1.957 -11.136 1.00 33.40 O ATOM 481 CB PHE A 33 0.796 -2.036 -8.132 1.00 65.12 C ATOM 482 CG PHE A 33 -0.022 -2.420 -6.911 1.00 13.24 C ATOM 483 CD1 PHE A 33 -1.404 -2.663 -7.036 1.00 31.44 C ATOM 484 CD2 PHE A 33 0.614 -2.628 -5.670 1.00 23.42 C ATOM 485 CE1 PHE A 33 -2.137 -3.143 -5.937 1.00 33.11 C ATOM 486 CE2 PHE A 33 -0.119 -3.091 -4.568 1.00 14.34 C ATOM 487 CZ PHE A 33 -1.489 -3.369 -4.711 1.00 45.05 C ATOM 0 H PHE A 33 2.251 -4.104 -7.763 1.00 13.34 H new ATOM 0 HA PHE A 33 -0.046 -3.456 -9.509 1.00 41.44 H new ATOM 0 HB2 PHE A 33 1.786 -1.706 -7.816 1.00 65.12 H new ATOM 0 HB3 PHE A 33 0.324 -1.191 -8.633 1.00 65.12 H new ATOM 0 HD1 PHE A 33 -1.901 -2.480 -7.977 1.00 31.44 H new ATOM 0 HD2 PHE A 33 1.671 -2.430 -5.568 1.00 23.42 H new ATOM 0 HE1 PHE A 33 -3.195 -3.337 -6.035 1.00 33.11 H new ATOM 0 HE2 PHE A 33 0.367 -3.233 -3.614 1.00 14.34 H new ATOM 0 HZ PHE A 33 -2.048 -3.759 -3.873 1.00 45.05 H new ATOM 496 N SER A 34 2.839 -3.545 -10.646 1.00 4.44 N ATOM 497 CA SER A 34 3.689 -3.410 -11.829 1.00 2.34 C ATOM 498 C SER A 34 2.890 -3.680 -13.117 1.00 73.43 C ATOM 499 O SER A 34 3.255 -3.198 -14.186 1.00 23.14 O ATOM 500 CB SER A 34 4.852 -4.389 -11.591 1.00 20.44 C ATOM 501 OG SER A 34 6.096 -4.190 -12.226 1.00 4.00 O ATOM 0 H SER A 34 3.174 -4.270 -10.012 1.00 4.44 H new ATOM 0 HA SER A 34 4.074 -2.400 -11.971 1.00 2.34 H new ATOM 0 HB2 SER A 34 5.039 -4.412 -10.517 1.00 20.44 H new ATOM 0 HB3 SER A 34 4.501 -5.381 -11.875 1.00 20.44 H new ATOM 0 HG SER A 34 6.818 -4.470 -11.626 1.00 4.00 H new ATOM 506 N THR A 35 1.752 -4.373 -13.027 1.00 1.20 N ATOM 507 CA THR A 35 0.849 -4.608 -14.148 1.00 54.02 C ATOM 508 C THR A 35 0.072 -3.341 -14.570 1.00 74.24 C ATOM 509 O THR A 35 -0.522 -3.323 -15.649 1.00 13.02 O ATOM 510 CB THR A 35 -0.037 -5.825 -13.801 1.00 72.32 C ATOM 511 OG1 THR A 35 -0.793 -6.271 -14.902 1.00 51.43 O ATOM 512 CG2 THR A 35 -0.994 -5.587 -12.633 1.00 64.51 C ATOM 0 H THR A 35 1.430 -4.793 -12.155 1.00 1.20 H new ATOM 0 HA THR A 35 1.419 -4.849 -15.045 1.00 54.02 H new ATOM 0 HB THR A 35 0.682 -6.589 -13.505 1.00 72.32 H new ATOM 0 HG1 THR A 35 -1.336 -7.042 -14.635 1.00 51.43 H new ATOM 0 HG21 THR A 35 -1.580 -6.488 -12.453 1.00 64.51 H new ATOM 0 HG22 THR A 35 -0.422 -5.341 -11.738 1.00 64.51 H new ATOM 0 HG23 THR A 35 -1.664 -4.761 -12.874 1.00 64.51 H new ATOM 520 N VAL A 36 0.058 -2.266 -13.767 1.00 43.03 N ATOM 521 CA VAL A 36 -0.767 -1.078 -14.025 1.00 33.11 C ATOM 522 C VAL A 36 0.008 0.239 -13.938 1.00 72.54 C ATOM 523 O VAL A 36 -0.569 1.316 -14.135 1.00 51.34 O ATOM 524 CB VAL A 36 -2.027 -1.084 -13.137 1.00 61.41 C ATOM 525 CG1 VAL A 36 -3.009 -2.150 -13.628 1.00 54.34 C ATOM 526 CG2 VAL A 36 -1.753 -1.284 -11.638 1.00 32.44 C ATOM 0 H VAL A 36 0.620 -2.197 -12.919 1.00 43.03 H new ATOM 0 HA VAL A 36 -1.089 -1.140 -15.065 1.00 33.11 H new ATOM 0 HB VAL A 36 -2.456 -0.087 -13.232 1.00 61.41 H new ATOM 0 HG11 VAL A 36 -3.896 -2.147 -12.995 1.00 54.34 H new ATOM 0 HG12 VAL A 36 -3.297 -1.933 -14.657 1.00 54.34 H new ATOM 0 HG13 VAL A 36 -2.534 -3.130 -13.583 1.00 54.34 H new ATOM 0 HG21 VAL A 36 -2.696 -1.274 -11.091 1.00 32.44 H new ATOM 0 HG22 VAL A 36 -1.254 -2.241 -11.484 1.00 32.44 H new ATOM 0 HG23 VAL A 36 -1.115 -0.479 -11.274 1.00 32.44 H new ATOM 536 N GLY A 37 1.313 0.200 -13.700 1.00 41.44 N ATOM 537 CA GLY A 37 2.147 1.384 -13.699 1.00 0.23 C ATOM 538 C GLY A 37 3.500 1.015 -13.140 1.00 51.23 C ATOM 539 O GLY A 37 3.975 -0.091 -13.404 1.00 24.22 O ATOM 0 H GLY A 37 1.821 -0.662 -13.502 1.00 41.44 H new ATOM 0 HA2 GLY A 37 2.249 1.776 -14.711 1.00 0.23 H new ATOM 0 HA3 GLY A 37 1.690 2.169 -13.097 1.00 0.23 H new ATOM 543 N LYS A 38 4.116 1.917 -12.383 1.00 51.33 N ATOM 544 CA LYS A 38 5.358 1.657 -11.684 1.00 35.23 C ATOM 545 C LYS A 38 5.186 2.065 -10.235 1.00 55.15 C ATOM 546 O LYS A 38 4.343 2.901 -9.918 1.00 61.34 O ATOM 547 CB LYS A 38 6.493 2.415 -12.387 1.00 4.21 C ATOM 548 CG LYS A 38 6.827 3.779 -11.808 1.00 23.52 C ATOM 549 CD LYS A 38 7.971 4.436 -12.559 1.00 12.02 C ATOM 550 CE LYS A 38 9.344 3.817 -12.258 1.00 64.44 C ATOM 551 NZ LYS A 38 9.758 4.014 -10.848 1.00 13.33 N ATOM 0 H LYS A 38 3.757 2.861 -12.239 1.00 51.33 H new ATOM 0 HA LYS A 38 5.618 0.599 -11.702 1.00 35.23 H new ATOM 0 HB2 LYS A 38 7.391 1.798 -12.358 1.00 4.21 H new ATOM 0 HB3 LYS A 38 6.227 2.541 -13.436 1.00 4.21 H new ATOM 0 HG2 LYS A 38 5.946 4.420 -11.851 1.00 23.52 H new ATOM 0 HG3 LYS A 38 7.093 3.674 -10.756 1.00 23.52 H new ATOM 0 HD2 LYS A 38 7.778 4.367 -13.630 1.00 12.02 H new ATOM 0 HD3 LYS A 38 7.997 5.496 -12.308 1.00 12.02 H new ATOM 0 HE2 LYS A 38 9.314 2.750 -12.479 1.00 64.44 H new ATOM 0 HE3 LYS A 38 10.091 4.259 -12.918 1.00 64.44 H new ATOM 0 HZ1 LYS A 38 10.718 3.639 -10.713 1.00 13.33 H new ATOM 0 HZ2 LYS A 38 9.748 5.029 -10.622 1.00 13.33 H new ATOM 0 HZ3 LYS A 38 9.099 3.513 -10.219 1.00 13.33 H new ATOM 561 N VAL A 39 6.051 1.577 -9.366 1.00 60.43 N ATOM 562 CA VAL A 39 6.084 2.072 -8.000 1.00 2.13 C ATOM 563 C VAL A 39 7.022 3.277 -7.934 1.00 0.43 C ATOM 564 O VAL A 39 8.075 3.308 -8.579 1.00 43.14 O ATOM 565 CB VAL A 39 6.399 0.914 -7.049 1.00 42.12 C ATOM 566 CG1 VAL A 39 6.746 1.413 -5.649 1.00 71.42 C ATOM 567 CG2 VAL A 39 5.144 0.035 -6.951 1.00 72.25 C ATOM 0 H VAL A 39 6.733 0.848 -9.576 1.00 60.43 H new ATOM 0 HA VAL A 39 5.117 2.447 -7.665 1.00 2.13 H new ATOM 0 HB VAL A 39 7.256 0.364 -7.437 1.00 42.12 H new ATOM 0 HG11 VAL A 39 6.963 0.562 -5.003 1.00 71.42 H new ATOM 0 HG12 VAL A 39 7.620 2.062 -5.700 1.00 71.42 H new ATOM 0 HG13 VAL A 39 5.903 1.971 -5.242 1.00 71.42 H new ATOM 0 HG21 VAL A 39 5.337 -0.801 -6.279 1.00 72.25 H new ATOM 0 HG22 VAL A 39 4.314 0.627 -6.565 1.00 72.25 H new ATOM 0 HG23 VAL A 39 4.888 -0.346 -7.940 1.00 72.25 H new ATOM 577 N ARG A 40 6.614 4.291 -7.162 1.00 63.53 N ATOM 578 CA ARG A 40 7.448 5.440 -6.851 1.00 35.41 C ATOM 579 C ARG A 40 8.438 5.027 -5.769 1.00 61.33 C ATOM 580 O ARG A 40 9.642 5.125 -5.999 1.00 0.43 O ATOM 581 CB ARG A 40 6.583 6.648 -6.437 1.00 52.05 C ATOM 582 CG ARG A 40 7.386 7.831 -5.869 1.00 72.25 C ATOM 583 CD ARG A 40 8.340 8.504 -6.872 1.00 31.24 C ATOM 584 NE ARG A 40 7.660 9.498 -7.716 1.00 14.44 N ATOM 585 CZ ARG A 40 7.255 10.717 -7.336 1.00 20.53 C ATOM 586 NH1 ARG A 40 7.385 11.142 -6.079 1.00 15.33 N ATOM 587 NH2 ARG A 40 6.714 11.508 -8.255 1.00 42.02 N ATOM 0 H ARG A 40 5.688 4.330 -6.736 1.00 63.53 H new ATOM 0 HA ARG A 40 8.006 5.760 -7.731 1.00 35.41 H new ATOM 0 HB2 ARG A 40 6.017 6.990 -7.304 1.00 52.05 H new ATOM 0 HB3 ARG A 40 5.858 6.323 -5.691 1.00 52.05 H new ATOM 0 HG2 ARG A 40 6.688 8.580 -5.495 1.00 72.25 H new ATOM 0 HG3 ARG A 40 7.966 7.481 -5.015 1.00 72.25 H new ATOM 0 HD2 ARG A 40 9.151 8.988 -6.328 1.00 31.24 H new ATOM 0 HD3 ARG A 40 8.792 7.742 -7.506 1.00 31.24 H new ATOM 0 HE ARG A 40 7.479 9.234 -8.684 1.00 14.44 H new ATOM 0 HH11 ARG A 40 7.803 10.533 -5.375 1.00 15.33 H new ATOM 0 HH12 ARG A 40 7.067 12.076 -5.821 1.00 15.33 H new ATOM 0 HH21 ARG A 40 6.617 11.181 -9.216 1.00 42.02 H new ATOM 0 HH22 ARG A 40 6.395 12.443 -8.000 1.00 42.02 H new ATOM 598 N ASP A 41 7.939 4.604 -4.606 1.00 42.33 N ATOM 599 CA ASP A 41 8.744 4.308 -3.428 1.00 35.30 C ATOM 600 C ASP A 41 8.142 3.094 -2.717 1.00 15.34 C ATOM 601 O ASP A 41 6.922 2.964 -2.592 1.00 72.32 O ATOM 602 CB ASP A 41 8.813 5.538 -2.495 1.00 12.12 C ATOM 603 CG ASP A 41 9.890 6.553 -2.876 1.00 2.30 C ATOM 604 OD1 ASP A 41 10.999 6.139 -3.271 1.00 73.45 O ATOM 605 OD2 ASP A 41 9.655 7.776 -2.745 1.00 55.32 O ATOM 0 H ASP A 41 6.941 4.456 -4.458 1.00 42.33 H new ATOM 0 HA ASP A 41 9.767 4.074 -3.723 1.00 35.30 H new ATOM 0 HB2 ASP A 41 7.843 6.036 -2.496 1.00 12.12 H new ATOM 0 HB3 ASP A 41 8.995 5.197 -1.476 1.00 12.12 H new ATOM 609 N VAL A 42 9.002 2.179 -2.269 1.00 14.42 N ATOM 610 CA VAL A 42 8.642 0.906 -1.645 1.00 64.40 C ATOM 611 C VAL A 42 8.857 1.050 -0.131 1.00 12.42 C ATOM 612 O VAL A 42 9.920 1.519 0.286 1.00 60.54 O ATOM 613 CB VAL A 42 9.524 -0.209 -2.255 1.00 72.42 C ATOM 614 CG1 VAL A 42 9.066 -1.592 -1.779 1.00 64.33 C ATOM 615 CG2 VAL A 42 9.504 -0.226 -3.794 1.00 63.52 C ATOM 0 H VAL A 42 10.011 2.311 -2.334 1.00 14.42 H new ATOM 0 HA VAL A 42 7.600 0.641 -1.825 1.00 64.40 H new ATOM 0 HB VAL A 42 10.536 0.012 -1.916 1.00 72.42 H new ATOM 0 HG11 VAL A 42 9.702 -2.358 -2.222 1.00 64.33 H new ATOM 0 HG12 VAL A 42 9.137 -1.645 -0.693 1.00 64.33 H new ATOM 0 HG13 VAL A 42 8.033 -1.758 -2.083 1.00 64.33 H new ATOM 0 HG21 VAL A 42 10.143 -1.031 -4.157 1.00 63.52 H new ATOM 0 HG22 VAL A 42 8.484 -0.386 -4.143 1.00 63.52 H new ATOM 0 HG23 VAL A 42 9.871 0.728 -4.173 1.00 63.52 H new ATOM 625 N ARG A 43 7.871 0.688 0.698 1.00 74.13 N ATOM 626 CA ARG A 43 7.899 0.933 2.143 1.00 21.32 C ATOM 627 C ARG A 43 7.048 -0.094 2.901 1.00 3.45 C ATOM 628 O ARG A 43 5.819 -0.084 2.769 1.00 73.30 O ATOM 629 CB ARG A 43 7.433 2.382 2.388 1.00 75.10 C ATOM 630 CG ARG A 43 7.569 2.774 3.860 1.00 33.21 C ATOM 631 CD ARG A 43 7.382 4.282 4.027 1.00 60.23 C ATOM 632 NE ARG A 43 7.557 4.643 5.438 1.00 40.12 N ATOM 633 CZ ARG A 43 8.097 5.761 5.924 1.00 24.14 C ATOM 634 NH1 ARG A 43 8.350 6.816 5.154 1.00 3.32 N ATOM 635 NH2 ARG A 43 8.398 5.793 7.217 1.00 62.34 N ATOM 0 H ARG A 43 7.025 0.213 0.382 1.00 74.13 H new ATOM 0 HA ARG A 43 8.912 0.814 2.528 1.00 21.32 H new ATOM 0 HB2 ARG A 43 8.021 3.063 1.773 1.00 75.10 H new ATOM 0 HB3 ARG A 43 6.394 2.489 2.077 1.00 75.10 H new ATOM 0 HG2 ARG A 43 6.828 2.241 4.455 1.00 33.21 H new ATOM 0 HG3 ARG A 43 8.550 2.479 4.233 1.00 33.21 H new ATOM 0 HD2 ARG A 43 8.103 4.819 3.411 1.00 60.23 H new ATOM 0 HD3 ARG A 43 6.390 4.576 3.686 1.00 60.23 H new ATOM 0 HE ARG A 43 7.229 3.963 6.124 1.00 40.12 H new ATOM 0 HH11 ARG A 43 8.130 6.785 4.158 1.00 3.32 H new ATOM 0 HH12 ARG A 43 8.764 7.656 5.559 1.00 3.32 H new ATOM 0 HH21 ARG A 43 8.215 4.979 7.804 1.00 62.34 H new ATOM 0 HH22 ARG A 43 8.812 6.632 7.624 1.00 62.34 H new ATOM 646 N MET A 44 7.648 -0.981 3.698 1.00 54.12 N ATOM 647 CA MET A 44 6.912 -1.963 4.503 1.00 24.32 C ATOM 648 C MET A 44 7.467 -2.091 5.920 1.00 31.44 C ATOM 649 O MET A 44 8.621 -1.741 6.177 1.00 64.12 O ATOM 650 CB MET A 44 6.843 -3.308 3.772 1.00 54.10 C ATOM 651 CG MET A 44 8.199 -4.001 3.596 1.00 13.03 C ATOM 652 SD MET A 44 8.599 -5.261 4.836 1.00 63.44 S ATOM 653 CE MET A 44 7.592 -6.618 4.199 1.00 0.03 C ATOM 0 H MET A 44 8.661 -1.040 3.805 1.00 54.12 H new ATOM 0 HA MET A 44 5.892 -1.599 4.625 1.00 24.32 H new ATOM 0 HB2 MET A 44 6.177 -3.973 4.322 1.00 54.10 H new ATOM 0 HB3 MET A 44 6.398 -3.152 2.789 1.00 54.10 H new ATOM 0 HG2 MET A 44 8.225 -4.466 2.610 1.00 13.03 H new ATOM 0 HG3 MET A 44 8.980 -3.241 3.611 1.00 13.03 H new ATOM 0 HE1 MET A 44 7.791 -7.521 4.776 1.00 0.03 H new ATOM 0 HE2 MET A 44 6.537 -6.359 4.284 1.00 0.03 H new ATOM 0 HE3 MET A 44 7.839 -6.794 3.152 1.00 0.03 H new ATOM 661 N ILE A 45 6.642 -2.573 6.859 1.00 31.14 N ATOM 662 CA ILE A 45 6.919 -2.498 8.293 1.00 74.42 C ATOM 663 C ILE A 45 6.671 -3.878 8.913 1.00 71.12 C ATOM 664 O ILE A 45 5.780 -4.065 9.747 1.00 63.32 O ATOM 665 CB ILE A 45 6.123 -1.359 8.991 1.00 14.35 C ATOM 666 CG1 ILE A 45 5.964 -0.052 8.186 1.00 11.11 C ATOM 667 CG2 ILE A 45 6.849 -1.020 10.303 1.00 55.03 C ATOM 668 CD1 ILE A 45 4.750 -0.055 7.260 1.00 63.32 C ATOM 0 H ILE A 45 5.757 -3.029 6.639 1.00 31.14 H new ATOM 0 HA ILE A 45 7.965 -2.233 8.447 1.00 74.42 H new ATOM 0 HB ILE A 45 5.112 -1.743 9.125 1.00 14.35 H new ATOM 0 HG12 ILE A 45 5.881 0.785 8.879 1.00 11.11 H new ATOM 0 HG13 ILE A 45 6.864 0.113 7.593 1.00 11.11 H new ATOM 0 HG21 ILE A 45 6.315 -0.222 10.819 1.00 55.03 H new ATOM 0 HG22 ILE A 45 6.883 -1.904 10.939 1.00 55.03 H new ATOM 0 HG23 ILE A 45 7.865 -0.693 10.083 1.00 55.03 H new ATOM 0 HD11 ILE A 45 4.698 0.893 6.725 1.00 63.32 H new ATOM 0 HD12 ILE A 45 4.841 -0.872 6.544 1.00 63.32 H new ATOM 0 HD13 ILE A 45 3.843 -0.189 7.850 1.00 63.32 H new ATOM 814 N GLY A 55 2.027 -7.129 9.746 1.00 24.15 N ATOM 815 CA GLY A 55 1.388 -7.343 8.460 1.00 43.23 C ATOM 816 C GLY A 55 0.860 -6.013 7.959 1.00 50.50 C ATOM 817 O GLY A 55 -0.351 -5.790 7.988 1.00 10.14 O ATOM 0 HA2 GLY A 55 2.100 -7.761 7.748 1.00 43.23 H new ATOM 0 HA3 GLY A 55 0.574 -8.062 8.556 1.00 43.23 H new ATOM 821 N ILE A 56 1.760 -5.132 7.525 1.00 61.40 N ATOM 822 CA ILE A 56 1.475 -3.813 6.967 1.00 35.44 C ATOM 823 C ILE A 56 2.563 -3.427 5.954 1.00 73.53 C ATOM 824 O ILE A 56 3.759 -3.621 6.211 1.00 43.41 O ATOM 825 CB ILE A 56 1.353 -2.755 8.090 1.00 23.32 C ATOM 826 CG1 ILE A 56 2.466 -2.860 9.147 1.00 71.20 C ATOM 827 CG2 ILE A 56 -0.038 -2.844 8.748 1.00 73.12 C ATOM 828 CD1 ILE A 56 2.445 -1.698 10.145 1.00 22.33 C ATOM 0 H ILE A 56 2.760 -5.331 7.555 1.00 61.40 H new ATOM 0 HA ILE A 56 0.518 -3.850 6.447 1.00 35.44 H new ATOM 0 HB ILE A 56 1.474 -1.778 7.621 1.00 23.32 H new ATOM 0 HG12 ILE A 56 2.360 -3.800 9.688 1.00 71.20 H new ATOM 0 HG13 ILE A 56 3.434 -2.887 8.647 1.00 71.20 H new ATOM 0 HG21 ILE A 56 -0.116 -2.096 9.537 1.00 73.12 H new ATOM 0 HG22 ILE A 56 -0.808 -2.661 7.998 1.00 73.12 H new ATOM 0 HG23 ILE A 56 -0.176 -3.837 9.175 1.00 73.12 H new ATOM 0 HD11 ILE A 56 3.252 -1.824 10.867 1.00 22.33 H new ATOM 0 HD12 ILE A 56 2.580 -0.757 9.611 1.00 22.33 H new ATOM 0 HD13 ILE A 56 1.489 -1.685 10.668 1.00 22.33 H new ATOM 839 N ALA A 57 2.160 -2.840 4.824 1.00 71.10 N ATOM 840 CA ALA A 57 3.032 -2.158 3.873 1.00 72.10 C ATOM 841 C ALA A 57 2.230 -1.053 3.188 1.00 75.52 C ATOM 842 O ALA A 57 1.022 -1.196 3.024 1.00 64.32 O ATOM 843 CB ALA A 57 3.518 -3.145 2.807 1.00 34.24 C ATOM 0 H ALA A 57 1.181 -2.828 4.539 1.00 71.10 H new ATOM 0 HA ALA A 57 3.892 -1.743 4.399 1.00 72.10 H new ATOM 0 HB1 ALA A 57 4.168 -2.628 2.101 1.00 34.24 H new ATOM 0 HB2 ALA A 57 4.072 -3.953 3.285 1.00 34.24 H new ATOM 0 HB3 ALA A 57 2.661 -3.557 2.275 1.00 34.24 H new ATOM 849 N TYR A 58 2.894 0.013 2.758 1.00 35.32 N ATOM 850 CA TYR A 58 2.303 1.159 2.085 1.00 74.43 C ATOM 851 C TYR A 58 3.127 1.357 0.810 1.00 54.14 C ATOM 852 O TYR A 58 4.300 1.709 0.891 1.00 2.25 O ATOM 853 CB TYR A 58 2.362 2.380 3.017 1.00 11.01 C ATOM 854 CG TYR A 58 1.634 2.242 4.343 1.00 4.35 C ATOM 855 CD1 TYR A 58 2.218 1.512 5.391 1.00 54.00 C ATOM 856 CD2 TYR A 58 0.401 2.889 4.550 1.00 31.14 C ATOM 857 CE1 TYR A 58 1.570 1.401 6.630 1.00 11.05 C ATOM 858 CE2 TYR A 58 -0.256 2.794 5.791 1.00 51.00 C ATOM 859 CZ TYR A 58 0.326 2.040 6.836 1.00 63.31 C ATOM 860 OH TYR A 58 -0.305 1.949 8.044 1.00 22.51 O ATOM 0 H TYR A 58 3.903 0.104 2.875 1.00 35.32 H new ATOM 0 HA TYR A 58 1.253 1.014 1.833 1.00 74.43 H new ATOM 0 HB2 TYR A 58 3.409 2.606 3.222 1.00 11.01 H new ATOM 0 HB3 TYR A 58 1.949 3.238 2.486 1.00 11.01 H new ATOM 0 HD1 TYR A 58 3.174 1.032 5.242 1.00 54.00 H new ATOM 0 HD2 TYR A 58 -0.044 3.463 3.750 1.00 31.14 H new ATOM 0 HE1 TYR A 58 2.021 0.828 7.426 1.00 11.05 H new ATOM 0 HE2 TYR A 58 -1.200 3.295 5.944 1.00 51.00 H new ATOM 0 HH TYR A 58 -0.937 1.200 8.027 1.00 22.51 H new ATOM 869 N VAL A 59 2.610 0.975 -0.354 1.00 3.03 N ATOM 870 CA VAL A 59 3.298 1.120 -1.635 1.00 35.12 C ATOM 871 C VAL A 59 2.981 2.522 -2.140 1.00 64.21 C ATOM 872 O VAL A 59 1.809 2.856 -2.305 1.00 31.43 O ATOM 873 CB VAL A 59 2.865 0.015 -2.623 1.00 41.35 C ATOM 874 CG1 VAL A 59 3.761 0.046 -3.866 1.00 42.34 C ATOM 875 CG2 VAL A 59 2.945 -1.404 -2.033 1.00 44.04 C ATOM 0 H VAL A 59 1.687 0.549 -0.436 1.00 3.03 H new ATOM 0 HA VAL A 59 4.376 1.001 -1.529 1.00 35.12 H new ATOM 0 HB VAL A 59 1.823 0.227 -2.864 1.00 41.35 H new ATOM 0 HG11 VAL A 59 3.450 -0.736 -4.558 1.00 42.34 H new ATOM 0 HG12 VAL A 59 3.674 1.017 -4.353 1.00 42.34 H new ATOM 0 HG13 VAL A 59 4.797 -0.121 -3.572 1.00 42.34 H new ATOM 0 HG21 VAL A 59 2.626 -2.128 -2.783 1.00 44.04 H new ATOM 0 HG22 VAL A 59 3.972 -1.617 -1.736 1.00 44.04 H new ATOM 0 HG23 VAL A 59 2.294 -1.473 -1.162 1.00 44.04 H new ATOM 885 N GLU A 60 3.994 3.370 -2.308 1.00 54.13 N ATOM 886 CA GLU A 60 3.825 4.752 -2.729 1.00 15.11 C ATOM 887 C GLU A 60 3.917 4.760 -4.261 1.00 75.13 C ATOM 888 O GLU A 60 4.919 4.294 -4.814 1.00 41.43 O ATOM 889 CB GLU A 60 4.880 5.650 -2.058 1.00 74.42 C ATOM 890 CG GLU A 60 4.992 5.437 -0.530 1.00 32.15 C ATOM 891 CD GLU A 60 5.869 6.467 0.192 1.00 40.01 C ATOM 892 OE1 GLU A 60 5.788 7.681 -0.103 1.00 35.22 O ATOM 893 OE2 GLU A 60 6.597 6.088 1.142 1.00 44.13 O ATOM 0 H GLU A 60 4.968 3.109 -2.152 1.00 54.13 H new ATOM 0 HA GLU A 60 2.860 5.157 -2.423 1.00 15.11 H new ATOM 0 HB2 GLU A 60 5.851 5.460 -2.515 1.00 74.42 H new ATOM 0 HB3 GLU A 60 4.634 6.694 -2.254 1.00 74.42 H new ATOM 0 HG2 GLU A 60 3.992 5.463 -0.098 1.00 32.15 H new ATOM 0 HG3 GLU A 60 5.394 4.441 -0.343 1.00 32.15 H new ATOM 898 N PHE A 61 2.886 5.222 -4.972 1.00 23.13 N ATOM 899 CA PHE A 61 2.798 5.107 -6.423 1.00 20.43 C ATOM 900 C PHE A 61 3.167 6.402 -7.124 1.00 2.30 C ATOM 901 O PHE A 61 3.211 7.483 -6.535 1.00 33.42 O ATOM 902 CB PHE A 61 1.395 4.662 -6.871 1.00 2.24 C ATOM 903 CG PHE A 61 1.463 3.571 -7.912 1.00 24.21 C ATOM 904 CD1 PHE A 61 1.936 2.313 -7.518 1.00 21.24 C ATOM 905 CD2 PHE A 61 1.097 3.799 -9.251 1.00 55.13 C ATOM 906 CE1 PHE A 61 2.030 1.270 -8.455 1.00 1.13 C ATOM 907 CE2 PHE A 61 1.157 2.743 -10.178 1.00 75.14 C ATOM 908 CZ PHE A 61 1.621 1.475 -9.783 1.00 61.21 C ATOM 0 H PHE A 61 2.084 5.690 -4.550 1.00 23.13 H new ATOM 0 HA PHE A 61 3.521 4.344 -6.711 1.00 20.43 H new ATOM 0 HB2 PHE A 61 0.832 4.307 -6.008 1.00 2.24 H new ATOM 0 HB3 PHE A 61 0.853 5.517 -7.275 1.00 2.24 H new ATOM 0 HD1 PHE A 61 2.229 2.144 -6.492 1.00 21.24 H new ATOM 0 HD2 PHE A 61 0.772 4.780 -9.565 1.00 55.13 H new ATOM 0 HE1 PHE A 61 2.418 0.308 -8.153 1.00 1.13 H new ATOM 0 HE2 PHE A 61 0.845 2.906 -11.199 1.00 75.14 H new ATOM 0 HZ PHE A 61 1.662 0.665 -10.496 1.00 61.21 H new ATOM 917 N VAL A 62 3.404 6.277 -8.425 1.00 0.24 N ATOM 918 CA VAL A 62 3.768 7.354 -9.324 1.00 22.21 C ATOM 919 C VAL A 62 2.575 8.236 -9.706 1.00 61.41 C ATOM 920 O VAL A 62 2.741 9.448 -9.857 1.00 60.51 O ATOM 921 CB VAL A 62 4.453 6.707 -10.538 1.00 55.12 C ATOM 922 CG1 VAL A 62 5.817 6.165 -10.105 1.00 55.03 C ATOM 923 CG2 VAL A 62 3.579 5.675 -11.248 1.00 20.44 C ATOM 0 H VAL A 62 3.343 5.376 -8.900 1.00 0.24 H new ATOM 0 HA VAL A 62 4.453 8.044 -8.832 1.00 22.21 H new ATOM 0 HB VAL A 62 4.612 7.470 -11.300 1.00 55.12 H new ATOM 0 HG11 VAL A 62 6.313 5.703 -10.959 1.00 55.03 H new ATOM 0 HG12 VAL A 62 6.431 6.983 -9.728 1.00 55.03 H new ATOM 0 HG13 VAL A 62 5.681 5.422 -9.319 1.00 55.03 H new ATOM 0 HG21 VAL A 62 4.124 5.258 -12.095 1.00 20.44 H new ATOM 0 HG22 VAL A 62 3.322 4.876 -10.553 1.00 20.44 H new ATOM 0 HG23 VAL A 62 2.667 6.154 -11.604 1.00 20.44 H new ATOM 933 N ASP A 63 1.380 7.660 -9.844 1.00 20.50 N ATOM 934 CA ASP A 63 0.152 8.376 -10.223 1.00 0.31 C ATOM 935 C ASP A 63 -1.042 8.005 -9.355 1.00 55.32 C ATOM 936 O ASP A 63 -1.141 6.865 -8.903 1.00 12.22 O ATOM 937 CB ASP A 63 -0.259 8.086 -11.670 1.00 51.01 C ATOM 938 CG ASP A 63 -1.094 9.248 -12.212 1.00 52.45 C ATOM 939 OD1 ASP A 63 -0.548 10.250 -12.728 1.00 11.03 O ATOM 940 OD2 ASP A 63 -2.335 9.187 -12.141 1.00 14.41 O ATOM 0 H ASP A 63 1.231 6.662 -9.693 1.00 20.50 H new ATOM 0 HA ASP A 63 0.402 9.429 -10.089 1.00 0.31 H new ATOM 0 HB2 ASP A 63 0.627 7.943 -12.288 1.00 51.01 H new ATOM 0 HB3 ASP A 63 -0.833 7.160 -11.717 1.00 51.01 H new ATOM 944 N VAL A 64 -1.997 8.927 -9.206 1.00 64.35 N ATOM 945 CA VAL A 64 -3.283 8.674 -8.561 1.00 30.33 C ATOM 946 C VAL A 64 -4.108 7.616 -9.313 1.00 13.41 C ATOM 947 O VAL A 64 -4.898 6.919 -8.679 1.00 65.31 O ATOM 948 CB VAL A 64 -4.033 10.020 -8.396 1.00 71.14 C ATOM 949 CG1 VAL A 64 -4.300 10.778 -9.706 1.00 3.20 C ATOM 950 CG2 VAL A 64 -5.350 9.859 -7.622 1.00 70.12 C ATOM 0 H VAL A 64 -1.894 9.886 -9.537 1.00 64.35 H new ATOM 0 HA VAL A 64 -3.115 8.249 -7.571 1.00 30.33 H new ATOM 0 HB VAL A 64 -3.338 10.630 -7.818 1.00 71.14 H new ATOM 0 HG11 VAL A 64 -4.829 11.706 -9.488 1.00 3.20 H new ATOM 0 HG12 VAL A 64 -3.352 11.006 -10.194 1.00 3.20 H new ATOM 0 HG13 VAL A 64 -4.909 10.160 -10.366 1.00 3.20 H new ATOM 0 HG21 VAL A 64 -5.840 10.829 -7.532 1.00 70.12 H new ATOM 0 HG22 VAL A 64 -6.004 9.170 -8.157 1.00 70.12 H new ATOM 0 HG23 VAL A 64 -5.142 9.464 -6.628 1.00 70.12 H new ATOM 960 N SER A 65 -3.947 7.444 -10.629 1.00 1.30 N ATOM 961 CA SER A 65 -4.784 6.536 -11.410 1.00 61.22 C ATOM 962 C SER A 65 -4.715 5.081 -10.952 1.00 32.12 C ATOM 963 O SER A 65 -5.686 4.350 -11.185 1.00 65.21 O ATOM 964 CB SER A 65 -4.421 6.625 -12.891 1.00 5.03 C ATOM 965 OG SER A 65 -4.961 7.814 -13.421 1.00 23.24 O ATOM 0 H SER A 65 -3.236 7.928 -11.177 1.00 1.30 H new ATOM 0 HA SER A 65 -5.811 6.864 -11.248 1.00 61.22 H new ATOM 0 HB2 SER A 65 -3.338 6.614 -13.015 1.00 5.03 H new ATOM 0 HB3 SER A 65 -4.812 5.761 -13.428 1.00 5.03 H new ATOM 0 HG SER A 65 -4.352 8.560 -13.238 1.00 23.24 H new ATOM 970 N SER A 66 -3.630 4.629 -10.312 1.00 64.14 N ATOM 971 CA SER A 66 -3.635 3.264 -9.793 1.00 61.54 C ATOM 972 C SER A 66 -4.426 3.088 -8.488 1.00 4.22 C ATOM 973 O SER A 66 -4.803 1.966 -8.165 1.00 43.24 O ATOM 974 CB SER A 66 -2.215 2.786 -9.581 1.00 10.34 C ATOM 975 OG SER A 66 -1.636 3.488 -8.505 1.00 12.30 O ATOM 0 H SER A 66 -2.776 5.162 -10.148 1.00 64.14 H new ATOM 0 HA SER A 66 -4.143 2.664 -10.548 1.00 61.54 H new ATOM 0 HB2 SER A 66 -2.208 1.715 -9.376 1.00 10.34 H new ATOM 0 HB3 SER A 66 -1.629 2.941 -10.487 1.00 10.34 H new ATOM 0 HG SER A 66 -0.670 3.324 -8.490 1.00 12.30 H new ATOM 980 N VAL A 67 -4.697 4.157 -7.739 1.00 24.10 N ATOM 981 CA VAL A 67 -5.369 4.114 -6.441 1.00 71.15 C ATOM 982 C VAL A 67 -6.738 3.424 -6.541 1.00 45.11 C ATOM 983 O VAL A 67 -6.929 2.407 -5.864 1.00 42.52 O ATOM 984 CB VAL A 67 -5.405 5.525 -5.820 1.00 52.31 C ATOM 985 CG1 VAL A 67 -6.280 5.587 -4.566 1.00 5.04 C ATOM 986 CG2 VAL A 67 -3.970 5.986 -5.504 1.00 22.30 C ATOM 0 H VAL A 67 -4.448 5.103 -8.027 1.00 24.10 H new ATOM 0 HA VAL A 67 -4.798 3.493 -5.751 1.00 71.15 H new ATOM 0 HB VAL A 67 -5.854 6.199 -6.549 1.00 52.31 H new ATOM 0 HG11 VAL A 67 -6.272 6.601 -4.167 1.00 5.04 H new ATOM 0 HG12 VAL A 67 -7.302 5.305 -4.821 1.00 5.04 H new ATOM 0 HG13 VAL A 67 -5.890 4.899 -3.816 1.00 5.04 H new ATOM 0 HG21 VAL A 67 -3.997 6.983 -5.065 1.00 22.30 H new ATOM 0 HG22 VAL A 67 -3.512 5.292 -4.800 1.00 22.30 H new ATOM 0 HG23 VAL A 67 -3.385 6.010 -6.423 1.00 22.30 H new ATOM 996 N PRO A 68 -7.681 3.886 -7.391 1.00 42.53 N ATOM 997 CA PRO A 68 -8.966 3.215 -7.538 1.00 10.50 C ATOM 998 C PRO A 68 -8.798 1.798 -8.099 1.00 42.35 C ATOM 999 O PRO A 68 -9.659 0.945 -7.874 1.00 43.52 O ATOM 1000 CB PRO A 68 -9.789 4.108 -8.470 1.00 12.30 C ATOM 1001 CG PRO A 68 -8.721 4.794 -9.321 1.00 13.02 C ATOM 1002 CD PRO A 68 -7.623 5.036 -8.288 1.00 73.15 C ATOM 0 HA PRO A 68 -9.465 3.083 -6.578 1.00 10.50 H new ATOM 0 HB2 PRO A 68 -10.479 3.526 -9.081 1.00 12.30 H new ATOM 0 HB3 PRO A 68 -10.387 4.830 -7.913 1.00 12.30 H new ATOM 0 HG2 PRO A 68 -8.381 4.162 -10.141 1.00 13.02 H new ATOM 0 HG3 PRO A 68 -9.082 5.723 -9.763 1.00 13.02 H new ATOM 0 HD2 PRO A 68 -6.645 5.115 -8.764 1.00 73.15 H new ATOM 0 HD3 PRO A 68 -7.790 5.967 -7.746 1.00 73.15 H new ATOM 1007 N LEU A 69 -7.694 1.539 -8.807 1.00 3.40 N ATOM 1008 CA LEU A 69 -7.365 0.233 -9.347 1.00 24.11 C ATOM 1009 C LEU A 69 -7.052 -0.734 -8.210 1.00 53.51 C ATOM 1010 O LEU A 69 -7.636 -1.808 -8.160 1.00 11.13 O ATOM 1011 CB LEU A 69 -6.184 0.344 -10.332 1.00 51.11 C ATOM 1012 CG LEU A 69 -6.450 -0.506 -11.584 1.00 13.44 C ATOM 1013 CD1 LEU A 69 -5.593 0.027 -12.730 1.00 2.11 C ATOM 1014 CD2 LEU A 69 -6.147 -1.981 -11.290 1.00 62.43 C ATOM 0 H LEU A 69 -6.996 2.251 -9.020 1.00 3.40 H new ATOM 0 HA LEU A 69 -8.221 -0.156 -9.898 1.00 24.11 H new ATOM 0 HB2 LEU A 69 -6.036 1.386 -10.616 1.00 51.11 H new ATOM 0 HB3 LEU A 69 -5.266 0.012 -9.848 1.00 51.11 H new ATOM 0 HG LEU A 69 -7.499 -0.439 -11.872 1.00 13.44 H new ATOM 0 HD11 LEU A 69 -5.772 -0.568 -13.626 1.00 2.11 H new ATOM 0 HD12 LEU A 69 -5.854 1.067 -12.927 1.00 2.11 H new ATOM 0 HD13 LEU A 69 -4.540 -0.037 -12.457 1.00 2.11 H new ATOM 0 HD21 LEU A 69 -6.338 -2.577 -12.183 1.00 62.43 H new ATOM 0 HD22 LEU A 69 -5.102 -2.087 -11.000 1.00 62.43 H new ATOM 0 HD23 LEU A 69 -6.786 -2.329 -10.478 1.00 62.43 H new ATOM 1025 N ALA A 70 -6.164 -0.357 -7.285 1.00 63.44 N ATOM 1026 CA ALA A 70 -5.730 -1.197 -6.173 1.00 34.02 C ATOM 1027 C ALA A 70 -6.913 -1.624 -5.300 1.00 41.25 C ATOM 1028 O ALA A 70 -6.982 -2.786 -4.894 1.00 3.20 O ATOM 1029 CB ALA A 70 -4.686 -0.452 -5.338 1.00 65.14 C ATOM 0 H ALA A 70 -5.719 0.561 -7.292 1.00 63.44 H new ATOM 0 HA ALA A 70 -5.282 -2.102 -6.582 1.00 34.02 H new ATOM 0 HB1 ALA A 70 -4.365 -1.083 -4.509 1.00 65.14 H new ATOM 0 HB2 ALA A 70 -3.827 -0.209 -5.963 1.00 65.14 H new ATOM 0 HB3 ALA A 70 -5.122 0.467 -4.947 1.00 65.14 H new ATOM 1035 N ILE A 71 -7.872 -0.714 -5.087 1.00 74.03 N ATOM 1036 CA ILE A 71 -9.139 -0.998 -4.416 1.00 65.43 C ATOM 1037 C ILE A 71 -9.824 -2.180 -5.104 1.00 31.41 C ATOM 1038 O ILE A 71 -10.348 -3.073 -4.432 1.00 45.22 O ATOM 1039 CB ILE A 71 -10.021 0.275 -4.416 1.00 74.21 C ATOM 1040 CG1 ILE A 71 -9.432 1.335 -3.461 1.00 64.14 C ATOM 1041 CG2 ILE A 71 -11.487 -0.035 -4.058 1.00 5.20 C ATOM 1042 CD1 ILE A 71 -10.131 2.699 -3.558 1.00 73.31 C ATOM 0 H ILE A 71 -7.783 0.258 -5.383 1.00 74.03 H new ATOM 0 HA ILE A 71 -8.967 -1.277 -3.376 1.00 65.43 H new ATOM 0 HB ILE A 71 -10.020 0.676 -5.430 1.00 74.21 H new ATOM 0 HG12 ILE A 71 -9.504 0.970 -2.436 1.00 64.14 H new ATOM 0 HG13 ILE A 71 -8.372 1.462 -3.680 1.00 64.14 H new ATOM 0 HG21 ILE A 71 -12.067 0.887 -4.070 1.00 5.20 H new ATOM 0 HG22 ILE A 71 -11.900 -0.733 -4.786 1.00 5.20 H new ATOM 0 HG23 ILE A 71 -11.533 -0.479 -3.064 1.00 5.20 H new ATOM 0 HD11 ILE A 71 -9.667 3.396 -2.860 1.00 73.31 H new ATOM 0 HD12 ILE A 71 -10.037 3.085 -4.573 1.00 73.31 H new ATOM 0 HD13 ILE A 71 -11.186 2.586 -3.310 1.00 73.31 H new ATOM 1053 N GLY A 72 -9.825 -2.188 -6.436 1.00 45.51 N ATOM 1054 CA GLY A 72 -10.420 -3.239 -7.234 1.00 22.33 C ATOM 1055 C GLY A 72 -9.798 -4.612 -6.967 1.00 74.33 C ATOM 1056 O GLY A 72 -10.487 -5.621 -7.113 1.00 41.23 O ATOM 0 H GLY A 72 -9.402 -1.446 -6.994 1.00 45.51 H new ATOM 0 HA2 GLY A 72 -11.489 -3.284 -7.028 1.00 22.33 H new ATOM 0 HA3 GLY A 72 -10.309 -2.994 -8.290 1.00 22.33 H new ATOM 1060 N LEU A 73 -8.531 -4.668 -6.543 1.00 1.33 N ATOM 1061 CA LEU A 73 -7.713 -5.879 -6.496 1.00 50.15 C ATOM 1062 C LEU A 73 -7.688 -6.478 -5.088 1.00 65.13 C ATOM 1063 O LEU A 73 -7.047 -7.507 -4.890 1.00 61.31 O ATOM 1064 CB LEU A 73 -6.284 -5.614 -7.009 1.00 31.20 C ATOM 1065 CG LEU A 73 -6.185 -5.010 -8.424 1.00 4.50 C ATOM 1066 CD1 LEU A 73 -4.713 -4.918 -8.845 1.00 24.41 C ATOM 1067 CD2 LEU A 73 -6.977 -5.797 -9.480 1.00 23.20 C ATOM 0 H LEU A 73 -8.032 -3.842 -6.212 1.00 1.33 H new ATOM 0 HA LEU A 73 -8.174 -6.609 -7.162 1.00 50.15 H new ATOM 0 HB2 LEU A 73 -5.786 -4.942 -6.311 1.00 31.20 H new ATOM 0 HB3 LEU A 73 -5.732 -6.554 -6.995 1.00 31.20 H new ATOM 0 HG LEU A 73 -6.632 -4.017 -8.372 1.00 4.50 H new ATOM 0 HD11 LEU A 73 -4.647 -4.491 -9.846 1.00 24.41 H new ATOM 0 HD12 LEU A 73 -4.173 -4.283 -8.143 1.00 24.41 H new ATOM 0 HD13 LEU A 73 -4.272 -5.915 -8.846 1.00 24.41 H new ATOM 0 HD21 LEU A 73 -6.864 -5.317 -10.452 1.00 23.20 H new ATOM 0 HD22 LEU A 73 -6.598 -6.818 -9.533 1.00 23.20 H new ATOM 0 HD23 LEU A 73 -8.032 -5.815 -9.205 1.00 23.20 H new ATOM 1078 N THR A 74 -8.451 -5.906 -4.136 1.00 50.32 N ATOM 1079 CA THR A 74 -8.821 -6.600 -2.904 1.00 44.23 C ATOM 1080 C THR A 74 -9.301 -8.046 -3.132 1.00 1.51 C ATOM 1081 O THR A 74 -9.101 -8.906 -2.266 1.00 61.21 O ATOM 1082 CB THR A 74 -9.702 -5.701 -2.014 1.00 10.23 C ATOM 1083 OG1 THR A 74 -8.821 -4.796 -1.387 1.00 34.34 O ATOM 1084 CG2 THR A 74 -10.476 -6.534 -0.995 1.00 70.03 C ATOM 0 H THR A 74 -8.821 -4.958 -4.205 1.00 50.32 H new ATOM 0 HA THR A 74 -7.921 -6.771 -2.313 1.00 44.23 H new ATOM 0 HB THR A 74 -10.454 -5.170 -2.597 1.00 10.23 H new ATOM 0 HG1 THR A 74 -8.358 -5.247 -0.651 1.00 34.34 H new ATOM 0 HG21 THR A 74 -11.090 -5.877 -0.379 1.00 70.03 H new ATOM 0 HG22 THR A 74 -11.116 -7.245 -1.517 1.00 70.03 H new ATOM 0 HG23 THR A 74 -9.775 -7.076 -0.360 1.00 70.03 H new ATOM 1092 N GLY A 75 -9.847 -8.349 -4.308 1.00 42.53 N ATOM 1093 CA GLY A 75 -10.317 -9.684 -4.620 1.00 61.15 C ATOM 1094 C GLY A 75 -9.268 -10.623 -5.227 1.00 24.24 C ATOM 1095 O GLY A 75 -9.640 -11.634 -5.831 1.00 5.53 O ATOM 0 H GLY A 75 -9.973 -7.675 -5.063 1.00 42.53 H new ATOM 0 HA2 GLY A 75 -10.702 -10.138 -3.707 1.00 61.15 H new ATOM 0 HA3 GLY A 75 -11.154 -9.604 -5.314 1.00 61.15 H new ATOM 1099 N GLN A 76 -7.975 -10.327 -5.099 1.00 52.52 N ATOM 1100 CA GLN A 76 -6.885 -11.239 -5.430 1.00 21.21 C ATOM 1101 C GLN A 76 -5.964 -11.384 -4.225 1.00 72.13 C ATOM 1102 O GLN A 76 -6.005 -10.545 -3.328 1.00 25.32 O ATOM 1103 CB GLN A 76 -6.093 -10.748 -6.644 1.00 71.43 C ATOM 1104 CG GLN A 76 -6.953 -10.245 -7.799 1.00 44.45 C ATOM 1105 CD GLN A 76 -6.135 -10.048 -9.065 1.00 3.11 C ATOM 1106 OE1 GLN A 76 -6.203 -10.861 -9.983 1.00 71.03 O ATOM 1107 NE2 GLN A 76 -5.345 -8.990 -9.110 1.00 73.15 N ATOM 0 H GLN A 76 -7.650 -9.424 -4.754 1.00 52.52 H new ATOM 0 HA GLN A 76 -7.312 -12.208 -5.686 1.00 21.21 H new ATOM 0 HB2 GLN A 76 -5.427 -9.945 -6.327 1.00 71.43 H new ATOM 0 HB3 GLN A 76 -5.463 -11.561 -7.004 1.00 71.43 H new ATOM 0 HG2 GLN A 76 -7.756 -10.957 -7.992 1.00 44.45 H new ATOM 0 HG3 GLN A 76 -7.423 -9.302 -7.519 1.00 44.45 H new ATOM 0 HE21 GLN A 76 -5.319 -8.339 -8.325 1.00 73.15 H new ATOM 0 HE22 GLN A 76 -4.761 -8.824 -9.930 1.00 73.15 H new ATOM 1114 N ARG A 77 -5.123 -12.423 -4.218 1.00 54.33 N ATOM 1115 CA ARG A 77 -4.161 -12.726 -3.161 1.00 31.30 C ATOM 1116 C ARG A 77 -2.823 -13.119 -3.762 1.00 31.03 C ATOM 1117 O ARG A 77 -2.721 -14.142 -4.435 1.00 32.30 O ATOM 1118 CB ARG A 77 -4.693 -13.803 -2.197 1.00 63.23 C ATOM 1119 CG ARG A 77 -5.365 -14.987 -2.904 1.00 32.00 C ATOM 1120 CD ARG A 77 -5.653 -16.128 -1.924 1.00 52.15 C ATOM 1121 NE ARG A 77 -6.583 -17.077 -2.544 1.00 61.15 N ATOM 1122 CZ ARG A 77 -6.745 -18.370 -2.273 1.00 11.22 C ATOM 1123 NH1 ARG A 77 -5.979 -19.023 -1.408 1.00 44.42 N ATOM 1124 NH2 ARG A 77 -7.699 -19.028 -2.913 1.00 63.22 N ATOM 0 H ARG A 77 -5.095 -13.101 -4.980 1.00 54.33 H new ATOM 0 HA ARG A 77 -4.013 -11.824 -2.568 1.00 31.30 H new ATOM 0 HB2 ARG A 77 -3.867 -14.175 -1.590 1.00 63.23 H new ATOM 0 HB3 ARG A 77 -5.409 -13.345 -1.514 1.00 63.23 H new ATOM 0 HG2 ARG A 77 -6.296 -14.657 -3.366 1.00 32.00 H new ATOM 0 HG3 ARG A 77 -4.721 -15.347 -3.706 1.00 32.00 H new ATOM 0 HD2 ARG A 77 -4.726 -16.634 -1.654 1.00 52.15 H new ATOM 0 HD3 ARG A 77 -6.080 -15.732 -1.003 1.00 52.15 H new ATOM 0 HE ARG A 77 -7.183 -16.698 -3.277 1.00 61.15 H new ATOM 0 HH11 ARG A 77 -5.229 -18.533 -0.920 1.00 44.42 H new ATOM 0 HH12 ARG A 77 -6.140 -20.015 -1.232 1.00 44.42 H new ATOM 0 HH21 ARG A 77 -8.285 -18.543 -3.592 1.00 63.22 H new ATOM 0 HH22 ARG A 77 -7.848 -20.020 -2.727 1.00 63.22 H new ATOM 1135 N VAL A 78 -1.789 -12.324 -3.520 1.00 25.32 N ATOM 1136 CA VAL A 78 -0.442 -12.641 -3.951 1.00 74.03 C ATOM 1137 C VAL A 78 0.120 -13.637 -2.947 1.00 1.10 C ATOM 1138 O VAL A 78 0.532 -13.251 -1.855 1.00 72.25 O ATOM 1139 CB VAL A 78 0.392 -11.353 -4.072 1.00 50.15 C ATOM 1140 CG1 VAL A 78 1.814 -11.639 -4.580 1.00 64.12 C ATOM 1141 CG2 VAL A 78 -0.311 -10.396 -5.041 1.00 44.31 C ATOM 0 H VAL A 78 -1.865 -11.440 -3.018 1.00 25.32 H new ATOM 0 HA VAL A 78 -0.421 -13.094 -4.942 1.00 74.03 H new ATOM 0 HB VAL A 78 0.476 -10.906 -3.081 1.00 50.15 H new ATOM 0 HG11 VAL A 78 2.370 -10.704 -4.651 1.00 64.12 H new ATOM 0 HG12 VAL A 78 2.320 -12.310 -3.886 1.00 64.12 H new ATOM 0 HG13 VAL A 78 1.762 -12.106 -5.563 1.00 64.12 H new ATOM 0 HG21 VAL A 78 0.272 -9.480 -5.134 1.00 44.31 H new ATOM 0 HG22 VAL A 78 -0.401 -10.870 -6.019 1.00 44.31 H new ATOM 0 HG23 VAL A 78 -1.304 -10.157 -4.660 1.00 44.31 H new ATOM 1151 N LEU A 79 0.074 -14.930 -3.284 1.00 42.54 N ATOM 1152 CA LEU A 79 0.657 -16.014 -2.479 1.00 65.14 C ATOM 1153 C LEU A 79 0.134 -16.006 -1.034 1.00 62.14 C ATOM 1154 O LEU A 79 0.851 -16.334 -0.085 1.00 45.40 O ATOM 1155 CB LEU A 79 2.197 -15.954 -2.541 1.00 73.24 C ATOM 1156 CG LEU A 79 2.774 -15.997 -3.967 1.00 41.32 C ATOM 1157 CD1 LEU A 79 4.278 -15.740 -3.916 1.00 21.20 C ATOM 1158 CD2 LEU A 79 2.521 -17.335 -4.672 1.00 25.31 C ATOM 0 H LEU A 79 -0.376 -15.261 -4.137 1.00 42.54 H new ATOM 0 HA LEU A 79 0.339 -16.964 -2.908 1.00 65.14 H new ATOM 0 HB2 LEU A 79 2.534 -15.040 -2.053 1.00 73.24 H new ATOM 0 HB3 LEU A 79 2.605 -16.789 -1.971 1.00 73.24 H new ATOM 0 HG LEU A 79 2.264 -15.222 -4.540 1.00 41.32 H new ATOM 0 HD11 LEU A 79 4.687 -15.770 -4.926 1.00 21.20 H new ATOM 0 HD12 LEU A 79 4.465 -14.759 -3.478 1.00 21.20 H new ATOM 0 HD13 LEU A 79 4.758 -16.506 -3.307 1.00 21.20 H new ATOM 0 HD21 LEU A 79 2.951 -17.306 -5.673 1.00 25.31 H new ATOM 0 HD22 LEU A 79 2.985 -18.140 -4.102 1.00 25.31 H new ATOM 0 HD23 LEU A 79 1.448 -17.512 -4.743 1.00 25.31 H new ATOM 1169 N GLY A 80 -1.123 -15.603 -0.853 1.00 45.24 N ATOM 1170 CA GLY A 80 -1.762 -15.514 0.450 1.00 41.11 C ATOM 1171 C GLY A 80 -1.677 -14.129 1.088 1.00 52.33 C ATOM 1172 O GLY A 80 -2.007 -14.000 2.261 1.00 30.14 O ATOM 0 H GLY A 80 -1.732 -15.326 -1.623 1.00 45.24 H new ATOM 0 HA2 GLY A 80 -2.811 -15.793 0.349 1.00 41.11 H new ATOM 0 HA3 GLY A 80 -1.302 -16.241 1.120 1.00 41.11 H new ATOM 1176 N VAL A 81 -1.269 -13.100 0.343 1.00 65.23 N ATOM 1177 CA VAL A 81 -1.367 -11.697 0.731 1.00 25.23 C ATOM 1178 C VAL A 81 -2.354 -11.006 -0.218 1.00 30.33 C ATOM 1179 O VAL A 81 -1.951 -10.475 -1.255 1.00 51.42 O ATOM 1180 CB VAL A 81 0.033 -11.047 0.811 1.00 1.24 C ATOM 1181 CG1 VAL A 81 -0.033 -9.541 1.135 1.00 44.10 C ATOM 1182 CG2 VAL A 81 0.839 -11.788 1.894 1.00 22.45 C ATOM 0 H VAL A 81 -0.848 -13.228 -0.577 1.00 65.23 H new ATOM 0 HA VAL A 81 -1.766 -11.587 1.739 1.00 25.23 H new ATOM 0 HB VAL A 81 0.514 -11.132 -0.163 1.00 1.24 H new ATOM 0 HG11 VAL A 81 0.977 -9.134 1.180 1.00 44.10 H new ATOM 0 HG12 VAL A 81 -0.598 -9.026 0.358 1.00 44.10 H new ATOM 0 HG13 VAL A 81 -0.525 -9.397 2.097 1.00 44.10 H new ATOM 0 HG21 VAL A 81 1.834 -11.349 1.972 1.00 22.45 H new ATOM 0 HG22 VAL A 81 0.327 -11.700 2.852 1.00 22.45 H new ATOM 0 HG23 VAL A 81 0.927 -12.841 1.625 1.00 22.45 H new ATOM 1192 N PRO A 82 -3.665 -11.064 0.068 1.00 32.02 N ATOM 1193 CA PRO A 82 -4.642 -10.159 -0.525 1.00 51.51 C ATOM 1194 C PRO A 82 -4.405 -8.711 -0.096 1.00 30.41 C ATOM 1195 O PRO A 82 -3.438 -8.411 0.616 1.00 22.13 O ATOM 1196 CB PRO A 82 -6.023 -10.716 -0.145 1.00 44.15 C ATOM 1197 CG PRO A 82 -5.774 -11.645 1.041 1.00 10.25 C ATOM 1198 CD PRO A 82 -4.294 -11.992 0.993 1.00 1.33 C ATOM 0 HA PRO A 82 -4.557 -10.117 -1.611 1.00 51.51 H new ATOM 0 HB2 PRO A 82 -6.710 -9.913 0.122 1.00 44.15 H new ATOM 0 HB3 PRO A 82 -6.472 -11.255 -0.979 1.00 44.15 H new ATOM 0 HG2 PRO A 82 -6.031 -11.156 1.981 1.00 10.25 H new ATOM 0 HG3 PRO A 82 -6.388 -12.543 0.970 1.00 10.25 H new ATOM 0 HD2 PRO A 82 -3.847 -11.910 1.984 1.00 1.33 H new ATOM 0 HD3 PRO A 82 -4.151 -13.021 0.663 1.00 1.33 H new ATOM 1203 N ILE A 83 -5.268 -7.787 -0.536 1.00 70.22 N ATOM 1204 CA ILE A 83 -5.148 -6.376 -0.145 1.00 31.04 C ATOM 1205 C ILE A 83 -6.466 -5.930 0.485 1.00 5.32 C ATOM 1206 O ILE A 83 -7.501 -6.539 0.233 1.00 12.33 O ATOM 1207 CB ILE A 83 -4.610 -5.509 -1.320 1.00 31.33 C ATOM 1208 CG1 ILE A 83 -4.541 -4.016 -0.928 1.00 13.10 C ATOM 1209 CG2 ILE A 83 -5.402 -5.657 -2.630 1.00 54.43 C ATOM 1210 CD1 ILE A 83 -3.609 -3.170 -1.792 1.00 42.45 C ATOM 0 H ILE A 83 -6.051 -7.988 -1.158 1.00 70.22 H new ATOM 0 HA ILE A 83 -4.390 -6.235 0.625 1.00 31.04 H new ATOM 0 HB ILE A 83 -3.608 -5.893 -1.513 1.00 31.33 H new ATOM 0 HG12 ILE A 83 -5.545 -3.594 -0.980 1.00 13.10 H new ATOM 0 HG13 ILE A 83 -4.218 -3.942 0.110 1.00 13.10 H new ATOM 0 HG21 ILE A 83 -4.961 -5.019 -3.396 1.00 54.43 H new ATOM 0 HG22 ILE A 83 -5.369 -6.695 -2.959 1.00 54.43 H new ATOM 0 HG23 ILE A 83 -6.438 -5.361 -2.464 1.00 54.43 H new ATOM 0 HD11 ILE A 83 -3.626 -2.138 -1.442 1.00 42.45 H new ATOM 0 HD12 ILE A 83 -2.594 -3.560 -1.722 1.00 42.45 H new ATOM 0 HD13 ILE A 83 -3.941 -3.207 -2.830 1.00 42.45 H new ATOM 1221 N ILE A 84 -6.452 -4.887 1.314 1.00 2.11 N ATOM 1222 CA ILE A 84 -7.653 -4.242 1.836 1.00 12.53 C ATOM 1223 C ILE A 84 -7.881 -2.971 1.020 1.00 3.14 C ATOM 1224 O ILE A 84 -6.926 -2.299 0.624 1.00 14.54 O ATOM 1225 CB ILE A 84 -7.487 -3.940 3.346 1.00 10.34 C ATOM 1226 CG1 ILE A 84 -7.191 -5.200 4.185 1.00 54.41 C ATOM 1227 CG2 ILE A 84 -8.702 -3.215 3.940 1.00 2.13 C ATOM 1228 CD1 ILE A 84 -8.267 -6.291 4.107 1.00 65.13 C ATOM 0 H ILE A 84 -5.588 -4.459 1.647 1.00 2.11 H new ATOM 0 HA ILE A 84 -8.522 -4.893 1.743 1.00 12.53 H new ATOM 0 HB ILE A 84 -6.621 -3.280 3.400 1.00 10.34 H new ATOM 0 HG12 ILE A 84 -6.241 -5.622 3.858 1.00 54.41 H new ATOM 0 HG13 ILE A 84 -7.067 -4.905 5.227 1.00 54.41 H new ATOM 0 HG21 ILE A 84 -8.532 -3.028 5.000 1.00 2.13 H new ATOM 0 HG22 ILE A 84 -8.848 -2.266 3.423 1.00 2.13 H new ATOM 0 HG23 ILE A 84 -9.591 -3.835 3.819 1.00 2.13 H new ATOM 0 HD11 ILE A 84 -7.973 -7.137 4.728 1.00 65.13 H new ATOM 0 HD12 ILE A 84 -9.216 -5.892 4.464 1.00 65.13 H new ATOM 0 HD13 ILE A 84 -8.377 -6.620 3.074 1.00 65.13 H new ATOM 1239 N VAL A 85 -9.144 -2.610 0.820 1.00 61.31 N ATOM 1240 CA VAL A 85 -9.614 -1.500 -0.004 1.00 31.23 C ATOM 1241 C VAL A 85 -9.371 -0.123 0.654 1.00 42.52 C ATOM 1242 O VAL A 85 -10.020 0.866 0.313 1.00 33.34 O ATOM 1243 CB VAL A 85 -11.094 -1.770 -0.344 1.00 14.33 C ATOM 1244 CG1 VAL A 85 -11.314 -3.100 -1.034 1.00 32.00 C ATOM 1245 CG2 VAL A 85 -12.014 -1.694 0.881 1.00 25.40 C ATOM 0 H VAL A 85 -9.915 -3.116 1.256 1.00 61.31 H new ATOM 0 HA VAL A 85 -9.038 -1.447 -0.928 1.00 31.23 H new ATOM 0 HB VAL A 85 -11.357 -0.969 -1.035 1.00 14.33 H new ATOM 0 HG11 VAL A 85 -12.375 -3.229 -1.246 1.00 32.00 H new ATOM 0 HG12 VAL A 85 -10.752 -3.123 -1.968 1.00 32.00 H new ATOM 0 HG13 VAL A 85 -10.973 -3.907 -0.386 1.00 32.00 H new ATOM 0 HG21 VAL A 85 -13.042 -1.893 0.577 1.00 25.40 H new ATOM 0 HG22 VAL A 85 -11.703 -2.436 1.616 1.00 25.40 H new ATOM 0 HG23 VAL A 85 -11.952 -0.699 1.321 1.00 25.40 H new ATOM 1255 N GLN A 86 -8.502 -0.082 1.667 1.00 30.02 N ATOM 1256 CA GLN A 86 -8.250 1.032 2.575 1.00 72.03 C ATOM 1257 C GLN A 86 -7.537 2.209 1.893 1.00 53.41 C ATOM 1258 O GLN A 86 -7.661 3.346 2.335 1.00 25.31 O ATOM 1259 CB GLN A 86 -7.398 0.489 3.739 1.00 25.33 C ATOM 1260 CG GLN A 86 -8.234 0.237 5.001 1.00 14.54 C ATOM 1261 CD GLN A 86 -8.438 1.525 5.786 1.00 31.25 C ATOM 1262 OE1 GLN A 86 -9.521 2.093 5.837 1.00 21.44 O ATOM 1263 NE2 GLN A 86 -7.371 2.057 6.354 1.00 72.31 N ATOM 0 H GLN A 86 -7.915 -0.887 1.887 1.00 30.02 H new ATOM 0 HA GLN A 86 -9.203 1.427 2.926 1.00 72.03 H new ATOM 0 HB2 GLN A 86 -6.917 -0.440 3.432 1.00 25.33 H new ATOM 0 HB3 GLN A 86 -6.603 1.199 3.967 1.00 25.33 H new ATOM 0 HG2 GLN A 86 -9.202 -0.181 4.723 1.00 14.54 H new ATOM 0 HG3 GLN A 86 -7.737 -0.501 5.630 1.00 14.54 H new ATOM 0 HE21 GLN A 86 -6.473 1.575 6.305 1.00 72.31 H new ATOM 0 HE22 GLN A 86 -7.444 2.950 6.841 1.00 72.31 H new ATOM 1270 N ALA A 87 -6.770 1.936 0.832 1.00 51.25 N ATOM 1271 CA ALA A 87 -6.207 2.915 -0.110 1.00 51.15 C ATOM 1272 C ALA A 87 -5.406 4.039 0.568 1.00 64.01 C ATOM 1273 O ALA A 87 -5.452 5.190 0.151 1.00 23.52 O ATOM 1274 CB ALA A 87 -7.316 3.421 -1.041 1.00 54.52 C ATOM 0 H ALA A 87 -6.511 0.979 0.593 1.00 51.25 H new ATOM 0 HA ALA A 87 -5.457 2.409 -0.718 1.00 51.15 H new ATOM 0 HB1 ALA A 87 -6.901 4.147 -1.740 1.00 54.52 H new ATOM 0 HB2 ALA A 87 -7.736 2.582 -1.596 1.00 54.52 H new ATOM 0 HB3 ALA A 87 -8.100 3.894 -0.450 1.00 54.52 H new ATOM 1280 N SER A 88 -4.694 3.685 1.639 1.00 50.12 N ATOM 1281 CA SER A 88 -3.937 4.566 2.530 1.00 44.04 C ATOM 1282 C SER A 88 -4.720 5.775 3.063 1.00 44.21 C ATOM 1283 O SER A 88 -4.134 6.760 3.513 1.00 62.52 O ATOM 1284 CB SER A 88 -2.598 4.945 1.871 1.00 54.01 C ATOM 1285 OG SER A 88 -1.591 5.130 2.842 1.00 54.10 O ATOM 0 H SER A 88 -4.626 2.709 1.926 1.00 50.12 H new ATOM 0 HA SER A 88 -3.730 3.998 3.437 1.00 44.04 H new ATOM 0 HB2 SER A 88 -2.297 4.163 1.174 1.00 54.01 H new ATOM 0 HB3 SER A 88 -2.720 5.859 1.290 1.00 54.01 H new ATOM 0 HG SER A 88 -0.750 5.368 2.399 1.00 54.10 H new