USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -1.56 (180deg=-2.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.213) USER MOD Single : A 28 SER OG : rot -19:sc= 0.473 USER MOD Single : A 29 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 30 ASN : amide:sc= -3.26! C(o=-3.3!,f=-4.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.114 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -138:sc= -0.0853 (180deg=-0.95) USER MOD Single : A 62 THR OG1 : rot 22:sc= 0.335 USER MOD Single : A 68 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 92 THR OG1 : rot -153:sc= -1.33 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.525 3.861 -3.670 1.00 52.42 N ATOM 178 CA LYS A 13 -1.005 4.392 -4.941 1.00 15.22 C ATOM 179 C LYS A 13 -1.265 3.267 -5.937 1.00 20.10 C ATOM 180 O LYS A 13 -2.140 3.376 -6.798 1.00 23.32 O ATOM 181 CB LYS A 13 0.011 5.378 -5.522 1.00 65.52 C ATOM 182 CG LYS A 13 -0.467 6.820 -5.515 1.00 61.35 C ATOM 183 CD LYS A 13 0.675 7.783 -5.238 1.00 55.10 C ATOM 184 CE LYS A 13 0.702 8.920 -6.249 1.00 22.05 C ATOM 185 NZ LYS A 13 1.460 8.552 -7.477 1.00 14.14 N ATOM 0 HA LYS A 13 -1.944 4.914 -4.757 1.00 15.22 H new ATOM 0 HB2 LYS A 13 0.938 5.309 -4.953 1.00 65.52 H new ATOM 0 HB3 LYS A 13 0.243 5.086 -6.546 1.00 65.52 H new ATOM 0 HG2 LYS A 13 -0.921 7.059 -6.477 1.00 61.35 H new ATOM 0 HG3 LYS A 13 -1.241 6.944 -4.758 1.00 61.35 H new ATOM 0 HD2 LYS A 13 0.573 8.191 -4.232 1.00 55.10 H new ATOM 0 HD3 LYS A 13 1.622 7.245 -5.269 1.00 55.10 H new ATOM 0 HE2 LYS A 13 -0.319 9.190 -6.519 1.00 22.05 H new ATOM 0 HE3 LYS A 13 1.154 9.801 -5.793 1.00 22.05 H new ATOM 0 HZ1 LYS A 13 1.455 9.353 -8.141 1.00 14.14 H new ATOM 0 HZ2 LYS A 13 2.441 8.319 -7.223 1.00 14.14 H new ATOM 0 HZ3 LYS A 13 1.014 7.727 -7.926 1.00 14.14 H new ATOM 199 N LEU A 14 -0.502 2.187 -5.814 1.00 63.22 N ATOM 200 CA LEU A 14 -0.651 1.040 -6.703 1.00 23.42 C ATOM 201 C LEU A 14 -1.962 0.308 -6.434 1.00 10.31 C ATOM 202 O LEU A 14 -2.700 -0.027 -7.361 1.00 31.42 O ATOM 203 CB LEU A 14 0.527 0.078 -6.530 1.00 12.50 C ATOM 204 CG LEU A 14 1.781 0.402 -7.343 1.00 71.42 C ATOM 205 CD1 LEU A 14 1.463 0.421 -8.830 1.00 41.41 C ATOM 206 CD2 LEU A 14 2.373 1.733 -6.905 1.00 24.34 C ATOM 0 H LEU A 14 0.226 2.081 -5.108 1.00 63.22 H new ATOM 0 HA LEU A 14 -0.665 1.408 -7.729 1.00 23.42 H new ATOM 0 HB2 LEU A 14 0.798 0.053 -5.475 1.00 12.50 H new ATOM 0 HB3 LEU A 14 0.194 -0.925 -6.797 1.00 12.50 H new ATOM 0 HG LEU A 14 2.520 -0.378 -7.160 1.00 71.42 H new ATOM 0 HD11 LEU A 14 2.367 0.653 -9.393 1.00 41.41 H new ATOM 0 HD12 LEU A 14 1.087 -0.556 -9.134 1.00 41.41 H new ATOM 0 HD13 LEU A 14 0.706 1.179 -9.031 1.00 41.41 H new ATOM 0 HD21 LEU A 14 3.264 1.946 -7.495 1.00 24.34 H new ATOM 0 HD22 LEU A 14 1.640 2.525 -7.057 1.00 24.34 H new ATOM 0 HD23 LEU A 14 2.640 1.683 -5.849 1.00 24.34 H new ATOM 218 N TYR A 15 -2.247 0.066 -5.159 1.00 33.15 N ATOM 219 CA TYR A 15 -3.469 -0.626 -4.767 1.00 73.24 C ATOM 220 C TYR A 15 -4.698 0.067 -5.349 1.00 1.05 C ATOM 221 O TYR A 15 -5.496 -0.548 -6.057 1.00 3.12 O ATOM 222 CB TYR A 15 -3.579 -0.687 -3.242 1.00 60.53 C ATOM 223 CG TYR A 15 -4.878 -1.286 -2.753 1.00 50.40 C ATOM 224 CD1 TYR A 15 -6.015 -0.501 -2.604 1.00 60.25 C ATOM 225 CD2 TYR A 15 -4.968 -2.636 -2.439 1.00 32.53 C ATOM 226 CE1 TYR A 15 -7.204 -1.045 -2.157 1.00 4.52 C ATOM 227 CE2 TYR A 15 -6.153 -3.189 -1.991 1.00 54.24 C ATOM 228 CZ TYR A 15 -7.268 -2.388 -1.852 1.00 24.12 C ATOM 229 OH TYR A 15 -8.450 -2.933 -1.407 1.00 33.23 O ATOM 0 H TYR A 15 -1.648 0.339 -4.380 1.00 33.15 H new ATOM 0 HA TYR A 15 -3.424 -1.641 -5.163 1.00 73.24 H new ATOM 0 HB2 TYR A 15 -2.748 -1.273 -2.849 1.00 60.53 H new ATOM 0 HB3 TYR A 15 -3.478 0.320 -2.838 1.00 60.53 H new ATOM 0 HD1 TYR A 15 -5.969 0.552 -2.841 1.00 60.25 H new ATOM 0 HD2 TYR A 15 -4.097 -3.265 -2.547 1.00 32.53 H new ATOM 0 HE1 TYR A 15 -8.079 -0.421 -2.047 1.00 4.52 H new ATOM 0 HE2 TYR A 15 -6.206 -4.241 -1.751 1.00 54.24 H new ATOM 0 HH TYR A 15 -8.326 -3.890 -1.238 1.00 33.23 H new ATOM 239 N LYS A 16 -4.842 1.353 -5.046 1.00 53.02 N ATOM 240 CA LYS A 16 -5.971 2.133 -5.539 1.00 34.24 C ATOM 241 C LYS A 16 -5.910 2.280 -7.056 1.00 30.01 C ATOM 242 O LYS A 16 -6.921 2.552 -7.704 1.00 21.50 O ATOM 243 CB LYS A 16 -5.988 3.515 -4.882 1.00 13.51 C ATOM 244 CG LYS A 16 -5.221 4.569 -5.662 1.00 24.43 C ATOM 245 CD LYS A 16 -4.641 5.631 -4.742 1.00 21.31 C ATOM 246 CE LYS A 16 -4.143 6.835 -5.526 1.00 64.22 C ATOM 247 NZ LYS A 16 -3.302 6.432 -6.688 1.00 54.11 N ATOM 0 H LYS A 16 -4.191 1.877 -4.461 1.00 53.02 H new ATOM 0 HA LYS A 16 -6.888 1.603 -5.280 1.00 34.24 H new ATOM 0 HB2 LYS A 16 -7.022 3.841 -4.767 1.00 13.51 H new ATOM 0 HB3 LYS A 16 -5.565 3.437 -3.880 1.00 13.51 H new ATOM 0 HG2 LYS A 16 -4.417 4.094 -6.223 1.00 24.43 H new ATOM 0 HG3 LYS A 16 -5.883 5.039 -6.389 1.00 24.43 H new ATOM 0 HD2 LYS A 16 -5.400 5.949 -4.028 1.00 21.31 H new ATOM 0 HD3 LYS A 16 -3.819 5.206 -4.166 1.00 21.31 H new ATOM 0 HE2 LYS A 16 -4.995 7.416 -5.879 1.00 64.22 H new ATOM 0 HE3 LYS A 16 -3.565 7.484 -4.867 1.00 64.22 H new ATOM 0 HZ1 LYS A 16 -2.741 7.247 -7.010 1.00 54.11 H new ATOM 0 HZ2 LYS A 16 -2.663 5.662 -6.404 1.00 54.11 H new ATOM 0 HZ3 LYS A 16 -3.914 6.105 -7.463 1.00 54.11 H new ATOM 261 N ASP A 17 -4.719 2.099 -7.615 1.00 55.00 N ATOM 262 CA ASP A 17 -4.527 2.209 -9.057 1.00 24.52 C ATOM 263 C ASP A 17 -5.034 0.958 -9.769 1.00 45.44 C ATOM 264 O ASP A 17 -5.311 0.984 -10.968 1.00 45.45 O ATOM 265 CB ASP A 17 -3.049 2.432 -9.381 1.00 1.24 C ATOM 266 CG ASP A 17 -2.765 2.369 -10.868 1.00 12.41 C ATOM 267 OD1 ASP A 17 -2.531 1.255 -11.381 1.00 3.32 O ATOM 268 OD2 ASP A 17 -2.777 3.435 -11.521 1.00 31.43 O ATOM 0 H ASP A 17 -3.872 1.876 -7.092 1.00 55.00 H new ATOM 0 HA ASP A 17 -5.101 3.065 -9.411 1.00 24.52 H new ATOM 0 HB2 ASP A 17 -2.739 3.403 -8.996 1.00 1.24 H new ATOM 0 HB3 ASP A 17 -2.450 1.679 -8.868 1.00 1.24 H new ATOM 273 N GLY A 18 -5.149 -0.136 -9.023 1.00 52.04 N ATOM 274 CA GLY A 18 -5.621 -1.381 -9.602 1.00 2.24 C ATOM 275 C GLY A 18 -4.575 -2.477 -9.550 1.00 12.44 C ATOM 276 O GLY A 18 -4.371 -3.197 -10.527 1.00 35.12 O ATOM 0 H GLY A 18 -4.924 -0.183 -8.029 1.00 52.04 H new ATOM 0 HA2 GLY A 18 -6.514 -1.710 -9.071 1.00 2.24 H new ATOM 0 HA3 GLY A 18 -5.912 -1.209 -10.638 1.00 2.24 H new ATOM 280 N VAL A 19 -3.908 -2.603 -8.407 1.00 51.11 N ATOM 281 CA VAL A 19 -2.877 -3.619 -8.231 1.00 2.41 C ATOM 282 C VAL A 19 -3.210 -4.543 -7.066 1.00 23.44 C ATOM 283 O VAL A 19 -3.573 -4.103 -5.976 1.00 5.34 O ATOM 284 CB VAL A 19 -1.497 -2.980 -7.989 1.00 21.14 C ATOM 285 CG1 VAL A 19 -0.422 -4.052 -7.893 1.00 71.22 C ATOM 286 CG2 VAL A 19 -1.170 -1.983 -9.090 1.00 20.04 C ATOM 0 H VAL A 19 -4.063 -2.014 -7.589 1.00 51.11 H new ATOM 0 HA VAL A 19 -2.843 -4.200 -9.152 1.00 2.41 H new ATOM 0 HB VAL A 19 -1.527 -2.442 -7.041 1.00 21.14 H new ATOM 0 HG11 VAL A 19 0.546 -3.582 -7.722 1.00 71.22 H new ATOM 0 HG12 VAL A 19 -0.651 -4.723 -7.065 1.00 71.22 H new ATOM 0 HG13 VAL A 19 -0.390 -4.620 -8.823 1.00 71.22 H new ATOM 0 HG21 VAL A 19 -0.191 -1.542 -8.902 1.00 20.04 H new ATOM 0 HG22 VAL A 19 -1.159 -2.495 -10.052 1.00 20.04 H new ATOM 0 HG23 VAL A 19 -1.925 -1.197 -9.106 1.00 20.04 H new ATOM 296 N PRO A 20 -3.082 -5.858 -7.299 1.00 24.52 N ATOM 297 CA PRO A 20 -3.363 -6.874 -6.280 1.00 11.42 C ATOM 298 C PRO A 20 -2.328 -6.872 -5.160 1.00 20.25 C ATOM 299 O PRO A 20 -1.167 -6.528 -5.375 1.00 43.41 O ATOM 300 CB PRO A 20 -3.303 -8.187 -7.063 1.00 24.24 C ATOM 301 CG PRO A 20 -2.415 -7.897 -8.223 1.00 22.13 C ATOM 302 CD PRO A 20 -2.653 -6.455 -8.575 1.00 53.21 C ATOM 0 HA PRO A 20 -4.318 -6.702 -5.784 1.00 11.42 H new ATOM 0 HB2 PRO A 20 -2.903 -8.995 -6.451 1.00 24.24 H new ATOM 0 HB3 PRO A 20 -4.295 -8.497 -7.392 1.00 24.24 H new ATOM 0 HG2 PRO A 20 -1.370 -8.069 -7.967 1.00 22.13 H new ATOM 0 HG3 PRO A 20 -2.648 -8.548 -9.065 1.00 22.13 H new ATOM 0 HD2 PRO A 20 -1.749 -5.980 -8.957 1.00 53.21 H new ATOM 0 HD3 PRO A 20 -3.418 -6.350 -9.345 1.00 53.21 H new ATOM 310 N VAL A 21 -2.758 -7.261 -3.963 1.00 42.32 N ATOM 311 CA VAL A 21 -1.868 -7.306 -2.809 1.00 54.52 C ATOM 312 C VAL A 21 -0.589 -8.071 -3.131 1.00 12.22 C ATOM 313 O VAL A 21 0.514 -7.612 -2.833 1.00 30.52 O ATOM 314 CB VAL A 21 -2.554 -7.962 -1.596 1.00 35.22 C ATOM 315 CG1 VAL A 21 -1.635 -7.939 -0.385 1.00 13.15 C ATOM 316 CG2 VAL A 21 -3.872 -7.266 -1.289 1.00 70.21 C ATOM 0 H VAL A 21 -3.717 -7.549 -3.768 1.00 42.32 H new ATOM 0 HA VAL A 21 -1.618 -6.274 -2.561 1.00 54.52 H new ATOM 0 HB VAL A 21 -2.767 -9.003 -1.840 1.00 35.22 H new ATOM 0 HG11 VAL A 21 -2.137 -8.407 0.462 1.00 13.15 H new ATOM 0 HG12 VAL A 21 -0.720 -8.486 -0.612 1.00 13.15 H new ATOM 0 HG13 VAL A 21 -1.388 -6.907 -0.135 1.00 13.15 H new ATOM 0 HG21 VAL A 21 -4.343 -7.742 -0.429 1.00 70.21 H new ATOM 0 HG22 VAL A 21 -3.685 -6.216 -1.065 1.00 70.21 H new ATOM 0 HG23 VAL A 21 -4.533 -7.341 -2.153 1.00 70.21 H new ATOM 326 N LYS A 22 -0.744 -9.240 -3.742 1.00 2.11 N ATOM 327 CA LYS A 22 0.397 -10.070 -4.107 1.00 62.11 C ATOM 328 C LYS A 22 1.416 -9.271 -4.914 1.00 13.03 C ATOM 329 O LYS A 22 2.623 -9.418 -4.726 1.00 22.33 O ATOM 330 CB LYS A 22 -0.066 -11.285 -4.914 1.00 30.21 C ATOM 331 CG LYS A 22 -0.845 -10.923 -6.167 1.00 2.23 C ATOM 332 CD LYS A 22 0.057 -10.875 -7.389 1.00 53.41 C ATOM 333 CE LYS A 22 0.174 -12.240 -8.050 1.00 34.31 C ATOM 334 NZ LYS A 22 1.302 -12.291 -9.020 1.00 65.55 N ATOM 0 H LYS A 22 -1.650 -9.634 -3.995 1.00 2.11 H new ATOM 0 HA LYS A 22 0.873 -10.411 -3.188 1.00 62.11 H new ATOM 0 HB2 LYS A 22 0.805 -11.876 -5.196 1.00 30.21 H new ATOM 0 HB3 LYS A 22 -0.688 -11.916 -4.279 1.00 30.21 H new ATOM 0 HG2 LYS A 22 -1.638 -11.653 -6.327 1.00 2.23 H new ATOM 0 HG3 LYS A 22 -1.326 -9.955 -6.030 1.00 2.23 H new ATOM 0 HD2 LYS A 22 -0.338 -10.155 -8.106 1.00 53.41 H new ATOM 0 HD3 LYS A 22 1.047 -10.525 -7.098 1.00 53.41 H new ATOM 0 HE2 LYS A 22 0.318 -13.003 -7.285 1.00 34.31 H new ATOM 0 HE3 LYS A 22 -0.758 -12.476 -8.564 1.00 34.31 H new ATOM 0 HZ1 LYS A 22 1.348 -13.237 -9.449 1.00 65.55 H new ATOM 0 HZ2 LYS A 22 1.152 -11.580 -9.764 1.00 65.55 H new ATOM 0 HZ3 LYS A 22 2.195 -12.091 -8.525 1.00 65.55 H new ATOM 348 N GLU A 23 0.920 -8.423 -5.811 1.00 24.14 N ATOM 349 CA GLU A 23 1.789 -7.600 -6.643 1.00 61.32 C ATOM 350 C GLU A 23 2.344 -6.420 -5.852 1.00 1.32 C ATOM 351 O GLU A 23 3.539 -6.128 -5.910 1.00 3.52 O ATOM 352 CB GLU A 23 1.024 -7.092 -7.868 1.00 45.32 C ATOM 353 CG GLU A 23 1.840 -6.162 -8.751 1.00 44.43 C ATOM 354 CD GLU A 23 1.250 -6.010 -10.140 1.00 73.31 C ATOM 355 OE1 GLU A 23 0.058 -6.340 -10.317 1.00 63.11 O ATOM 356 OE2 GLU A 23 1.980 -5.562 -11.049 1.00 72.35 O ATOM 0 H GLU A 23 -0.077 -8.289 -5.979 1.00 24.14 H new ATOM 0 HA GLU A 23 2.624 -8.217 -6.973 1.00 61.32 H new ATOM 0 HB2 GLU A 23 0.694 -7.946 -8.460 1.00 45.32 H new ATOM 0 HB3 GLU A 23 0.127 -6.570 -7.535 1.00 45.32 H new ATOM 0 HG2 GLU A 23 1.904 -5.182 -8.278 1.00 44.43 H new ATOM 0 HG3 GLU A 23 2.858 -6.544 -8.832 1.00 44.43 H new ATOM 363 N ILE A 24 1.469 -5.746 -5.114 1.00 24.35 N ATOM 364 CA ILE A 24 1.871 -4.599 -4.309 1.00 24.00 C ATOM 365 C ILE A 24 3.020 -4.960 -3.373 1.00 40.24 C ATOM 366 O ILE A 24 3.884 -4.131 -3.086 1.00 53.12 O ATOM 367 CB ILE A 24 0.697 -4.056 -3.475 1.00 53.51 C ATOM 368 CG1 ILE A 24 -0.473 -3.678 -4.387 1.00 44.21 C ATOM 369 CG2 ILE A 24 1.142 -2.856 -2.652 1.00 34.13 C ATOM 370 CD1 ILE A 24 -1.820 -3.750 -3.704 1.00 32.11 C ATOM 0 H ILE A 24 0.477 -5.974 -5.057 1.00 24.35 H new ATOM 0 HA ILE A 24 2.200 -3.826 -5.004 1.00 24.00 H new ATOM 0 HB ILE A 24 0.364 -4.837 -2.792 1.00 53.51 H new ATOM 0 HG12 ILE A 24 -0.319 -2.666 -4.762 1.00 44.21 H new ATOM 0 HG13 ILE A 24 -0.478 -4.341 -5.252 1.00 44.21 H new ATOM 0 HG21 ILE A 24 0.301 -2.483 -2.068 1.00 34.13 H new ATOM 0 HG22 ILE A 24 1.947 -3.154 -1.980 1.00 34.13 H new ATOM 0 HG23 ILE A 24 1.498 -2.070 -3.318 1.00 34.13 H new ATOM 0 HD11 ILE A 24 -2.601 -3.469 -4.410 1.00 32.11 H new ATOM 0 HD12 ILE A 24 -1.996 -4.767 -3.353 1.00 32.11 H new ATOM 0 HD13 ILE A 24 -1.835 -3.066 -2.856 1.00 32.11 H new ATOM 382 N ALA A 25 3.024 -6.202 -2.902 1.00 2.35 N ATOM 383 CA ALA A 25 4.069 -6.674 -2.001 1.00 31.21 C ATOM 384 C ALA A 25 5.449 -6.516 -2.630 1.00 41.25 C ATOM 385 O ALA A 25 6.406 -6.124 -1.963 1.00 23.01 O ATOM 386 CB ALA A 25 3.823 -8.127 -1.623 1.00 43.12 C ATOM 0 H ALA A 25 2.316 -6.900 -3.129 1.00 2.35 H new ATOM 0 HA ALA A 25 4.038 -6.064 -1.098 1.00 31.21 H new ATOM 0 HB1 ALA A 25 4.611 -8.466 -0.950 1.00 43.12 H new ATOM 0 HB2 ALA A 25 2.857 -8.215 -1.125 1.00 43.12 H new ATOM 0 HB3 ALA A 25 3.824 -8.742 -2.523 1.00 43.12 H new ATOM 392 N LYS A 26 5.545 -6.822 -3.920 1.00 22.12 N ATOM 393 CA LYS A 26 6.808 -6.714 -4.640 1.00 71.14 C ATOM 394 C LYS A 26 7.201 -5.252 -4.833 1.00 1.13 C ATOM 395 O LYS A 26 8.312 -4.848 -4.489 1.00 42.02 O ATOM 396 CB LYS A 26 6.704 -7.407 -6.001 1.00 71.33 C ATOM 397 CG LYS A 26 6.369 -8.886 -5.906 1.00 30.04 C ATOM 398 CD LYS A 26 7.384 -9.634 -5.055 1.00 54.23 C ATOM 399 CE LYS A 26 8.779 -9.553 -5.655 1.00 64.34 C ATOM 400 NZ LYS A 26 9.730 -8.848 -4.753 1.00 1.22 N ATOM 0 H LYS A 26 4.763 -7.147 -4.488 1.00 22.12 H new ATOM 0 HA LYS A 26 7.579 -7.205 -4.046 1.00 71.14 H new ATOM 0 HB2 LYS A 26 5.940 -6.907 -6.596 1.00 71.33 H new ATOM 0 HB3 LYS A 26 7.649 -7.290 -6.532 1.00 71.33 H new ATOM 0 HG2 LYS A 26 5.374 -9.008 -5.478 1.00 30.04 H new ATOM 0 HG3 LYS A 26 6.342 -9.319 -6.906 1.00 30.04 H new ATOM 0 HD2 LYS A 26 7.395 -9.217 -4.048 1.00 54.23 H new ATOM 0 HD3 LYS A 26 7.086 -10.678 -4.964 1.00 54.23 H new ATOM 0 HE2 LYS A 26 9.147 -10.559 -5.856 1.00 64.34 H new ATOM 0 HE3 LYS A 26 8.733 -9.033 -6.612 1.00 64.34 H new ATOM 0 HZ1 LYS A 26 10.704 -9.016 -5.076 1.00 1.22 H new ATOM 0 HZ2 LYS A 26 9.531 -7.827 -4.769 1.00 1.22 H new ATOM 0 HZ3 LYS A 26 9.620 -9.207 -3.783 1.00 1.22 H new ATOM 414 N ARG A 27 6.283 -4.464 -5.382 1.00 72.21 N ATOM 415 CA ARG A 27 6.534 -3.048 -5.619 1.00 71.23 C ATOM 416 C ARG A 27 6.829 -2.322 -4.311 1.00 11.14 C ATOM 417 O ARG A 27 7.516 -1.301 -4.297 1.00 4.43 O ATOM 418 CB ARG A 27 5.331 -2.404 -6.312 1.00 51.12 C ATOM 419 CG ARG A 27 5.604 -1.995 -7.751 1.00 63.30 C ATOM 420 CD ARG A 27 4.460 -2.396 -8.669 1.00 43.50 C ATOM 421 NE ARG A 27 4.844 -3.467 -9.585 1.00 73.12 N ATOM 422 CZ ARG A 27 4.202 -3.730 -10.719 1.00 24.01 C ATOM 423 NH1 ARG A 27 3.153 -3.002 -11.073 1.00 75.25 N ATOM 424 NH2 ARG A 27 4.611 -4.721 -11.499 1.00 24.40 N ATOM 0 H ARG A 27 5.358 -4.782 -5.671 1.00 72.21 H new ATOM 0 HA ARG A 27 7.407 -2.963 -6.267 1.00 71.23 H new ATOM 0 HB2 ARG A 27 4.495 -3.103 -6.294 1.00 51.12 H new ATOM 0 HB3 ARG A 27 5.024 -1.525 -5.745 1.00 51.12 H new ATOM 0 HG2 ARG A 27 5.752 -0.916 -7.802 1.00 63.30 H new ATOM 0 HG3 ARG A 27 6.528 -2.461 -8.094 1.00 63.30 H new ATOM 0 HD2 ARG A 27 3.610 -2.720 -8.069 1.00 43.50 H new ATOM 0 HD3 ARG A 27 4.134 -1.528 -9.242 1.00 43.50 H new ATOM 0 HE ARG A 27 5.649 -4.045 -9.341 1.00 73.12 H new ATOM 0 HH11 ARG A 27 2.837 -2.238 -10.475 1.00 75.25 H new ATOM 0 HH12 ARG A 27 2.662 -3.205 -11.943 1.00 75.25 H new ATOM 0 HH21 ARG A 27 5.419 -5.282 -11.229 1.00 24.40 H new ATOM 0 HH22 ARG A 27 4.118 -4.922 -12.369 1.00 24.40 H new ATOM 438 N SER A 28 6.305 -2.856 -3.212 1.00 34.23 N ATOM 439 CA SER A 28 6.508 -2.257 -1.898 1.00 42.22 C ATOM 440 C SER A 28 7.670 -2.925 -1.170 1.00 1.22 C ATOM 441 O SER A 28 8.112 -2.458 -0.122 1.00 13.24 O ATOM 442 CB SER A 28 5.233 -2.369 -1.059 1.00 42.15 C ATOM 443 OG SER A 28 5.462 -1.949 0.274 1.00 10.01 O ATOM 0 H SER A 28 5.736 -3.703 -3.206 1.00 34.23 H new ATOM 0 HA SER A 28 6.749 -1.203 -2.040 1.00 42.22 H new ATOM 0 HB2 SER A 28 4.446 -1.761 -1.505 1.00 42.15 H new ATOM 0 HB3 SER A 28 4.880 -3.400 -1.063 1.00 42.15 H new ATOM 0 HG SER A 28 6.423 -1.971 0.463 1.00 10.01 H new ATOM 449 N ASN A 29 8.162 -4.023 -1.736 1.00 51.12 N ATOM 450 CA ASN A 29 9.272 -4.758 -1.141 1.00 72.22 C ATOM 451 C ASN A 29 8.892 -5.302 0.232 1.00 72.53 C ATOM 452 O ASN A 29 9.754 -5.551 1.073 1.00 54.44 O ATOM 453 CB ASN A 29 10.502 -3.855 -1.022 1.00 31.10 C ATOM 454 CG ASN A 29 11.781 -4.566 -1.419 1.00 50.44 C ATOM 455 OD1 ASN A 29 12.566 -4.053 -2.217 1.00 65.03 O ATOM 456 ND2 ASN A 29 11.997 -5.752 -0.864 1.00 75.54 N ATOM 0 H ASN A 29 7.809 -4.423 -2.606 1.00 51.12 H new ATOM 0 HA ASN A 29 9.508 -5.600 -1.792 1.00 72.22 H new ATOM 0 HB2 ASN A 29 10.367 -2.976 -1.653 1.00 31.10 H new ATOM 0 HB3 ASN A 29 10.591 -3.500 0.005 1.00 31.10 H new ATOM 0 HD21 ASN A 29 12.841 -6.277 -1.094 1.00 75.54 H new ATOM 0 HD22 ASN A 29 11.319 -6.139 -0.208 1.00 75.54 H new ATOM 463 N ASN A 30 7.593 -5.486 0.450 1.00 24.13 N ATOM 464 CA ASN A 30 7.097 -6.001 1.721 1.00 2.32 C ATOM 465 C ASN A 30 6.365 -7.325 1.523 1.00 54.21 C ATOM 466 O ASN A 30 6.274 -7.834 0.406 1.00 75.11 O ATOM 467 CB ASN A 30 6.165 -4.982 2.379 1.00 32.33 C ATOM 468 CG ASN A 30 6.834 -4.235 3.517 1.00 73.43 C ATOM 469 OD1 ASN A 30 7.651 -4.797 4.246 1.00 33.55 O ATOM 470 ND2 ASN A 30 6.488 -2.963 3.672 1.00 4.44 N ATOM 0 H ASN A 30 6.866 -5.286 -0.237 1.00 24.13 H new ATOM 0 HA ASN A 30 7.953 -6.174 2.374 1.00 2.32 H new ATOM 0 HB2 ASN A 30 5.826 -4.267 1.629 1.00 32.33 H new ATOM 0 HB3 ASN A 30 5.279 -5.494 2.755 1.00 32.33 H new ATOM 0 HD21 ASN A 30 6.904 -2.409 4.420 1.00 4.44 H new ATOM 0 HD22 ASN A 30 5.806 -2.540 3.043 1.00 4.44 H new ATOM 477 N SER A 31 5.844 -7.876 2.615 1.00 30.11 N ATOM 478 CA SER A 31 5.123 -9.142 2.562 1.00 14.42 C ATOM 479 C SER A 31 3.619 -8.905 2.456 1.00 62.14 C ATOM 480 O SER A 31 3.136 -7.797 2.683 1.00 51.42 O ATOM 481 CB SER A 31 5.431 -9.982 3.803 1.00 44.42 C ATOM 482 OG SER A 31 6.123 -11.169 3.456 1.00 52.43 O ATOM 0 H SER A 31 5.908 -7.466 3.547 1.00 30.11 H new ATOM 0 HA SER A 31 5.453 -9.683 1.675 1.00 14.42 H new ATOM 0 HB2 SER A 31 6.031 -9.398 4.501 1.00 44.42 H new ATOM 0 HB3 SER A 31 4.502 -10.235 4.315 1.00 44.42 H new ATOM 0 HG SER A 31 6.310 -11.688 4.266 1.00 52.43 H new ATOM 488 N MET A 32 2.884 -9.958 2.108 1.00 10.55 N ATOM 489 CA MET A 32 1.435 -9.866 1.973 1.00 41.24 C ATOM 490 C MET A 32 0.793 -9.434 3.287 1.00 73.41 C ATOM 491 O MET A 32 -0.244 -8.769 3.293 1.00 20.51 O ATOM 492 CB MET A 32 0.858 -11.209 1.525 1.00 33.24 C ATOM 493 CG MET A 32 -0.423 -11.081 0.716 1.00 21.52 C ATOM 494 SD MET A 32 -1.687 -12.262 1.226 1.00 75.03 S ATOM 495 CE MET A 32 -1.567 -13.474 -0.087 1.00 63.31 C ATOM 0 H MET A 32 3.268 -10.883 1.915 1.00 10.55 H new ATOM 0 HA MET A 32 1.212 -9.113 1.217 1.00 41.24 H new ATOM 0 HB2 MET A 32 1.604 -11.735 0.929 1.00 33.24 H new ATOM 0 HB3 MET A 32 0.663 -11.823 2.404 1.00 33.24 H new ATOM 0 HG2 MET A 32 -0.814 -10.069 0.820 1.00 21.52 H new ATOM 0 HG3 MET A 32 -0.198 -11.229 -0.340 1.00 21.52 H new ATOM 0 HE1 MET A 32 -2.289 -14.272 0.087 1.00 63.31 H new ATOM 0 HE2 MET A 32 -1.778 -12.996 -1.044 1.00 63.31 H new ATOM 0 HE3 MET A 32 -0.561 -13.893 -0.105 1.00 63.31 H new ATOM 505 N SER A 33 1.413 -9.817 4.398 1.00 23.02 N ATOM 506 CA SER A 33 0.899 -9.474 5.718 1.00 21.14 C ATOM 507 C SER A 33 1.253 -8.034 6.082 1.00 60.30 C ATOM 508 O SER A 33 0.578 -7.403 6.895 1.00 1.15 O ATOM 509 CB SER A 33 1.459 -10.431 6.773 1.00 51.24 C ATOM 510 OG SER A 33 2.445 -11.283 6.216 1.00 45.43 O ATOM 0 H SER A 33 2.273 -10.366 4.410 1.00 23.02 H new ATOM 0 HA SER A 33 -0.187 -9.568 5.693 1.00 21.14 H new ATOM 0 HB2 SER A 33 1.890 -9.859 7.595 1.00 51.24 H new ATOM 0 HB3 SER A 33 0.650 -11.030 7.191 1.00 51.24 H new ATOM 0 HG SER A 33 2.788 -11.884 6.910 1.00 45.43 H new ATOM 516 N THR A 34 2.317 -7.521 5.472 1.00 24.35 N ATOM 517 CA THR A 34 2.763 -6.158 5.732 1.00 60.55 C ATOM 518 C THR A 34 1.999 -5.158 4.872 1.00 43.42 C ATOM 519 O THR A 34 1.468 -4.168 5.376 1.00 71.51 O ATOM 520 CB THR A 34 4.272 -6.000 5.465 1.00 62.45 C ATOM 521 OG1 THR A 34 5.011 -6.926 6.271 1.00 14.24 O ATOM 522 CG2 THR A 34 4.729 -4.582 5.764 1.00 51.51 C ATOM 0 H THR A 34 2.886 -8.029 4.795 1.00 24.35 H new ATOM 0 HA THR A 34 2.565 -5.955 6.784 1.00 60.55 H new ATOM 0 HB THR A 34 4.456 -6.208 4.411 1.00 62.45 H new ATOM 0 HG1 THR A 34 5.969 -6.821 6.095 1.00 14.24 H new ATOM 0 HG21 THR A 34 5.798 -4.495 5.568 1.00 51.51 H new ATOM 0 HG22 THR A 34 4.186 -3.883 5.128 1.00 51.51 H new ATOM 0 HG23 THR A 34 4.532 -4.349 6.810 1.00 51.51 H new ATOM 530 N VAL A 35 1.948 -5.421 3.569 1.00 30.24 N ATOM 531 CA VAL A 35 1.247 -4.545 2.639 1.00 2.53 C ATOM 532 C VAL A 35 -0.246 -4.501 2.943 1.00 22.33 C ATOM 533 O VAL A 35 -0.827 -3.427 3.101 1.00 30.40 O ATOM 534 CB VAL A 35 1.450 -4.996 1.181 1.00 43.10 C ATOM 535 CG1 VAL A 35 0.388 -4.385 0.280 1.00 45.15 C ATOM 536 CG2 VAL A 35 2.845 -4.629 0.699 1.00 43.32 C ATOM 0 H VAL A 35 2.384 -6.234 3.135 1.00 30.24 H new ATOM 0 HA VAL A 35 1.669 -3.548 2.765 1.00 2.53 H new ATOM 0 HB VAL A 35 1.349 -6.080 1.137 1.00 43.10 H new ATOM 0 HG11 VAL A 35 0.548 -4.715 -0.746 1.00 45.15 H new ATOM 0 HG12 VAL A 35 -0.600 -4.703 0.614 1.00 45.15 H new ATOM 0 HG13 VAL A 35 0.454 -3.298 0.326 1.00 45.15 H new ATOM 0 HG21 VAL A 35 2.971 -4.955 -0.333 1.00 43.32 H new ATOM 0 HG22 VAL A 35 2.977 -3.549 0.757 1.00 43.32 H new ATOM 0 HG23 VAL A 35 3.588 -5.120 1.328 1.00 43.32 H new ATOM 546 N TYR A 36 -0.862 -5.675 3.025 1.00 64.22 N ATOM 547 CA TYR A 36 -2.288 -5.772 3.308 1.00 33.32 C ATOM 548 C TYR A 36 -2.653 -4.965 4.550 1.00 41.31 C ATOM 549 O TYR A 36 -3.667 -4.266 4.577 1.00 63.43 O ATOM 550 CB TYR A 36 -2.693 -7.234 3.501 1.00 70.12 C ATOM 551 CG TYR A 36 -4.189 -7.453 3.505 1.00 34.45 C ATOM 552 CD1 TYR A 36 -4.957 -7.117 4.614 1.00 41.43 C ATOM 553 CD2 TYR A 36 -4.836 -7.996 2.402 1.00 11.40 C ATOM 554 CE1 TYR A 36 -6.324 -7.315 4.624 1.00 73.04 C ATOM 555 CE2 TYR A 36 -6.203 -8.196 2.401 1.00 2.04 C ATOM 556 CZ TYR A 36 -6.942 -7.855 3.515 1.00 31.00 C ATOM 557 OH TYR A 36 -8.303 -8.054 3.519 1.00 33.44 O ATOM 0 H TYR A 36 -0.395 -6.573 2.899 1.00 64.22 H new ATOM 0 HA TYR A 36 -2.830 -5.361 2.456 1.00 33.32 H new ATOM 0 HB2 TYR A 36 -2.249 -7.833 2.706 1.00 70.12 H new ATOM 0 HB3 TYR A 36 -2.279 -7.596 4.442 1.00 70.12 H new ATOM 0 HD1 TYR A 36 -4.476 -6.694 5.483 1.00 41.43 H new ATOM 0 HD2 TYR A 36 -4.260 -8.267 1.530 1.00 11.40 H new ATOM 0 HE1 TYR A 36 -6.905 -7.049 5.494 1.00 73.04 H new ATOM 0 HE2 TYR A 36 -6.690 -8.617 1.534 1.00 2.04 H new ATOM 0 HH TYR A 36 -8.580 -8.440 2.662 1.00 33.44 H new ATOM 567 N LYS A 37 -1.818 -5.064 5.579 1.00 12.02 N ATOM 568 CA LYS A 37 -2.048 -4.342 6.825 1.00 35.53 C ATOM 569 C LYS A 37 -2.066 -2.836 6.586 1.00 61.03 C ATOM 570 O LYS A 37 -2.743 -2.093 7.296 1.00 24.41 O ATOM 571 CB LYS A 37 -0.968 -4.694 7.850 1.00 64.21 C ATOM 572 CG LYS A 37 -1.228 -4.118 9.231 1.00 72.40 C ATOM 573 CD LYS A 37 -0.401 -4.821 10.293 1.00 10.13 C ATOM 574 CE LYS A 37 0.999 -4.234 10.390 1.00 71.22 C ATOM 575 NZ LYS A 37 1.093 -3.197 11.454 1.00 72.13 N ATOM 0 H LYS A 37 -0.975 -5.638 5.575 1.00 12.02 H new ATOM 0 HA LYS A 37 -3.021 -4.642 7.215 1.00 35.53 H new ATOM 0 HB2 LYS A 37 -0.892 -5.779 7.927 1.00 64.21 H new ATOM 0 HB3 LYS A 37 -0.005 -4.331 7.490 1.00 64.21 H new ATOM 0 HG2 LYS A 37 -0.994 -3.053 9.232 1.00 72.40 H new ATOM 0 HG3 LYS A 37 -2.287 -4.212 9.472 1.00 72.40 H new ATOM 0 HD2 LYS A 37 -0.900 -4.737 11.259 1.00 10.13 H new ATOM 0 HD3 LYS A 37 -0.336 -5.884 10.060 1.00 10.13 H new ATOM 0 HE2 LYS A 37 1.714 -5.031 10.596 1.00 71.22 H new ATOM 0 HE3 LYS A 37 1.277 -3.797 9.431 1.00 71.22 H new ATOM 0 HZ1 LYS A 37 2.062 -2.822 11.488 1.00 72.13 H new ATOM 0 HZ2 LYS A 37 0.430 -2.424 11.245 1.00 72.13 H new ATOM 0 HZ3 LYS A 37 0.853 -3.620 12.373 1.00 72.13 H new ATOM 589 N ALA A 38 -1.318 -2.392 5.581 1.00 53.21 N ATOM 590 CA ALA A 38 -1.251 -0.975 5.246 1.00 35.21 C ATOM 591 C ALA A 38 -2.482 -0.538 4.459 1.00 14.11 C ATOM 592 O ALA A 38 -3.044 0.530 4.709 1.00 53.11 O ATOM 593 CB ALA A 38 0.015 -0.678 4.457 1.00 24.30 C ATOM 0 H ALA A 38 -0.750 -2.994 4.985 1.00 53.21 H new ATOM 0 HA ALA A 38 -1.227 -0.408 6.177 1.00 35.21 H new ATOM 0 HB1 ALA A 38 0.051 0.384 4.214 1.00 24.30 H new ATOM 0 HB2 ALA A 38 0.887 -0.944 5.055 1.00 24.30 H new ATOM 0 HB3 ALA A 38 0.015 -1.261 3.536 1.00 24.30 H new ATOM 599 N LEU A 39 -2.896 -1.367 3.508 1.00 64.43 N ATOM 600 CA LEU A 39 -4.060 -1.066 2.683 1.00 75.10 C ATOM 601 C LEU A 39 -5.296 -0.839 3.548 1.00 41.11 C ATOM 602 O LEU A 39 -5.998 0.161 3.393 1.00 25.53 O ATOM 603 CB LEU A 39 -4.318 -2.204 1.694 1.00 15.35 C ATOM 604 CG LEU A 39 -3.135 -2.612 0.817 1.00 50.34 C ATOM 605 CD1 LEU A 39 -3.445 -3.897 0.066 1.00 61.41 C ATOM 606 CD2 LEU A 39 -2.783 -1.495 -0.157 1.00 30.35 C ATOM 0 H LEU A 39 -2.442 -2.254 3.289 1.00 64.43 H new ATOM 0 HA LEU A 39 -3.854 -0.151 2.128 1.00 75.10 H new ATOM 0 HB2 LEU A 39 -4.647 -3.079 2.255 1.00 15.35 H new ATOM 0 HB3 LEU A 39 -5.143 -1.913 1.044 1.00 15.35 H new ATOM 0 HG LEU A 39 -2.274 -2.791 1.462 1.00 50.34 H new ATOM 0 HD11 LEU A 39 -2.591 -4.172 -0.553 1.00 61.41 H new ATOM 0 HD12 LEU A 39 -3.648 -4.696 0.780 1.00 61.41 H new ATOM 0 HD13 LEU A 39 -4.319 -3.746 -0.568 1.00 61.41 H new ATOM 0 HD21 LEU A 39 -1.938 -1.803 -0.774 1.00 30.35 H new ATOM 0 HD22 LEU A 39 -3.641 -1.285 -0.796 1.00 30.35 H new ATOM 0 HD23 LEU A 39 -2.517 -0.597 0.400 1.00 30.35 H new ATOM 618 N GLU A 40 -5.554 -1.771 4.459 1.00 31.21 N ATOM 619 CA GLU A 40 -6.705 -1.671 5.349 1.00 32.23 C ATOM 620 C GLU A 40 -6.670 -0.365 6.139 1.00 62.44 C ATOM 621 O GLU A 40 -7.712 0.191 6.488 1.00 61.42 O ATOM 622 CB GLU A 40 -6.738 -2.860 6.312 1.00 73.12 C ATOM 623 CG GLU A 40 -5.456 -3.035 7.108 1.00 0.10 C ATOM 624 CD GLU A 40 -5.634 -3.945 8.309 1.00 41.33 C ATOM 625 OE1 GLU A 40 -6.633 -4.693 8.345 1.00 51.45 O ATOM 626 OE2 GLU A 40 -4.772 -3.908 9.212 1.00 33.02 O ATOM 0 H GLU A 40 -4.982 -2.604 4.601 1.00 31.21 H new ATOM 0 HA GLU A 40 -7.607 -1.682 4.737 1.00 32.23 H new ATOM 0 HB2 GLU A 40 -7.571 -2.733 7.004 1.00 73.12 H new ATOM 0 HB3 GLU A 40 -6.931 -3.771 5.745 1.00 73.12 H new ATOM 0 HG2 GLU A 40 -4.682 -3.444 6.458 1.00 0.10 H new ATOM 0 HG3 GLU A 40 -5.106 -2.059 7.445 1.00 0.10 H new ATOM 633 N LYS A 41 -5.465 0.120 6.415 1.00 4.13 N ATOM 634 CA LYS A 41 -5.291 1.361 7.162 1.00 31.42 C ATOM 635 C LYS A 41 -5.513 2.572 6.263 1.00 53.03 C ATOM 636 O LYS A 41 -6.073 3.582 6.691 1.00 50.00 O ATOM 637 CB LYS A 41 -3.892 1.418 7.778 1.00 65.43 C ATOM 638 CG LYS A 41 -3.892 1.365 9.296 1.00 75.42 C ATOM 639 CD LYS A 41 -3.973 -0.065 9.803 1.00 63.42 C ATOM 640 CE LYS A 41 -5.410 -0.478 10.081 1.00 25.12 C ATOM 641 NZ LYS A 41 -5.614 -0.850 11.509 1.00 62.32 N ATOM 0 H LYS A 41 -4.593 -0.327 6.133 1.00 4.13 H new ATOM 0 HA LYS A 41 -6.033 1.383 7.960 1.00 31.42 H new ATOM 0 HB2 LYS A 41 -3.301 0.586 7.394 1.00 65.43 H new ATOM 0 HB3 LYS A 41 -3.399 2.335 7.455 1.00 65.43 H new ATOM 0 HG2 LYS A 41 -2.986 1.837 9.678 1.00 75.42 H new ATOM 0 HG3 LYS A 41 -4.736 1.937 9.681 1.00 75.42 H new ATOM 0 HD2 LYS A 41 -3.536 -0.739 9.066 1.00 63.42 H new ATOM 0 HD3 LYS A 41 -3.383 -0.163 10.714 1.00 63.42 H new ATOM 0 HE2 LYS A 41 -6.080 0.341 9.820 1.00 25.12 H new ATOM 0 HE3 LYS A 41 -5.675 -1.322 9.444 1.00 25.12 H new ATOM 0 HZ1 LYS A 41 -6.606 -1.125 11.658 1.00 62.32 H new ATOM 0 HZ2 LYS A 41 -4.993 -1.648 11.752 1.00 62.32 H new ATOM 0 HZ3 LYS A 41 -5.386 -0.037 12.116 1.00 62.32 H new ATOM 655 N LEU A 42 -5.072 2.465 5.014 1.00 63.43 N ATOM 656 CA LEU A 42 -5.224 3.552 4.053 1.00 62.11 C ATOM 657 C LEU A 42 -6.685 3.728 3.655 1.00 20.55 C ATOM 658 O LEU A 42 -7.218 4.837 3.686 1.00 63.33 O ATOM 659 CB LEU A 42 -4.374 3.281 2.810 1.00 43.33 C ATOM 660 CG LEU A 42 -2.868 3.154 3.041 1.00 73.54 C ATOM 661 CD1 LEU A 42 -2.275 2.094 2.125 1.00 35.21 C ATOM 662 CD2 LEU A 42 -2.179 4.493 2.824 1.00 0.13 C ATOM 0 H LEU A 42 -4.606 1.637 4.643 1.00 63.43 H new ATOM 0 HA LEU A 42 -4.883 4.473 4.526 1.00 62.11 H new ATOM 0 HB2 LEU A 42 -4.729 2.361 2.345 1.00 43.33 H new ATOM 0 HB3 LEU A 42 -4.545 4.086 2.095 1.00 43.33 H new ATOM 0 HG LEU A 42 -2.704 2.847 4.074 1.00 73.54 H new ATOM 0 HD11 LEU A 42 -1.202 2.018 2.303 1.00 35.21 H new ATOM 0 HD12 LEU A 42 -2.746 1.132 2.329 1.00 35.21 H new ATOM 0 HD13 LEU A 42 -2.451 2.371 1.086 1.00 35.21 H new ATOM 0 HD21 LEU A 42 -1.108 4.383 2.993 1.00 0.13 H new ATOM 0 HD22 LEU A 42 -2.352 4.830 1.802 1.00 0.13 H new ATOM 0 HD23 LEU A 42 -2.583 5.227 3.521 1.00 0.13 H new ATOM 674 N GLU A 43 -7.329 2.624 3.285 1.00 53.12 N ATOM 675 CA GLU A 43 -8.730 2.658 2.883 1.00 32.43 C ATOM 676 C GLU A 43 -9.596 3.274 3.979 1.00 74.21 C ATOM 677 O GLU A 43 -10.621 3.895 3.699 1.00 73.42 O ATOM 678 CB GLU A 43 -9.226 1.246 2.560 1.00 3.44 C ATOM 679 CG GLU A 43 -10.137 1.182 1.347 1.00 15.55 C ATOM 680 CD GLU A 43 -11.544 0.738 1.697 1.00 71.44 C ATOM 681 OE1 GLU A 43 -11.768 -0.485 1.813 1.00 43.30 O ATOM 682 OE2 GLU A 43 -12.421 1.613 1.854 1.00 1.23 O ATOM 0 H GLU A 43 -6.903 1.698 3.256 1.00 53.12 H new ATOM 0 HA GLU A 43 -8.810 3.277 1.989 1.00 32.43 H new ATOM 0 HB2 GLU A 43 -8.366 0.598 2.392 1.00 3.44 H new ATOM 0 HB3 GLU A 43 -9.759 0.851 3.425 1.00 3.44 H new ATOM 0 HG2 GLU A 43 -10.177 2.164 0.875 1.00 15.55 H new ATOM 0 HG3 GLU A 43 -9.714 0.493 0.616 1.00 15.55 H new ATOM 689 N ALA A 44 -9.176 3.097 5.227 1.00 45.23 N ATOM 690 CA ALA A 44 -9.911 3.636 6.364 1.00 13.11 C ATOM 691 C ALA A 44 -9.777 5.154 6.435 1.00 61.22 C ATOM 692 O ALA A 44 -10.615 5.832 7.027 1.00 55.12 O ATOM 693 CB ALA A 44 -9.422 3.001 7.658 1.00 60.04 C ATOM 0 H ALA A 44 -8.330 2.584 5.476 1.00 45.23 H new ATOM 0 HA ALA A 44 -10.966 3.396 6.230 1.00 13.11 H new ATOM 0 HB1 ALA A 44 -9.980 3.413 8.499 1.00 60.04 H new ATOM 0 HB2 ALA A 44 -9.575 1.923 7.615 1.00 60.04 H new ATOM 0 HB3 ALA A 44 -8.361 3.212 7.788 1.00 60.04 H new ATOM 699 N MET A 45 -8.718 5.679 5.828 1.00 63.43 N ATOM 700 CA MET A 45 -8.475 7.117 5.822 1.00 74.22 C ATOM 701 C MET A 45 -8.933 7.739 4.507 1.00 54.41 C ATOM 702 O MET A 45 -9.248 8.927 4.448 1.00 71.20 O ATOM 703 CB MET A 45 -6.991 7.407 6.048 1.00 63.52 C ATOM 704 CG MET A 45 -6.518 7.096 7.459 1.00 14.11 C ATOM 705 SD MET A 45 -7.137 8.277 8.673 1.00 63.44 S ATOM 706 CE MET A 45 -8.501 7.355 9.378 1.00 62.45 C ATOM 0 H MET A 45 -8.014 5.130 5.334 1.00 63.43 H new ATOM 0 HA MET A 45 -9.051 7.561 6.634 1.00 74.22 H new ATOM 0 HB2 MET A 45 -6.403 6.823 5.340 1.00 63.52 H new ATOM 0 HB3 MET A 45 -6.798 8.458 5.832 1.00 63.52 H new ATOM 0 HG2 MET A 45 -6.843 6.093 7.735 1.00 14.11 H new ATOM 0 HG3 MET A 45 -5.428 7.095 7.481 1.00 14.11 H new ATOM 0 HE1 MET A 45 -9.356 8.017 9.514 1.00 62.45 H new ATOM 0 HE2 MET A 45 -8.775 6.541 8.707 1.00 62.45 H new ATOM 0 HE3 MET A 45 -8.203 6.945 10.343 1.00 62.45 H new ATOM 716 N GLY A 46 -8.966 6.929 3.453 1.00 35.43 N ATOM 717 CA GLY A 46 -9.386 7.420 2.154 1.00 74.14 C ATOM 718 C GLY A 46 -8.213 7.776 1.262 1.00 33.52 C ATOM 719 O GLY A 46 -8.340 8.605 0.361 1.00 12.10 O ATOM 0 H GLY A 46 -8.709 5.942 3.476 1.00 35.43 H new ATOM 0 HA2 GLY A 46 -9.996 6.662 1.662 1.00 74.14 H new ATOM 0 HA3 GLY A 46 -10.017 8.299 2.288 1.00 74.14 H new ATOM 723 N ARG A 47 -7.069 7.150 1.513 1.00 31.40 N ATOM 724 CA ARG A 47 -5.869 7.407 0.729 1.00 42.23 C ATOM 725 C ARG A 47 -5.880 6.598 -0.565 1.00 54.25 C ATOM 726 O ARG A 47 -5.493 7.095 -1.624 1.00 34.14 O ATOM 727 CB ARG A 47 -4.618 7.069 1.542 1.00 2.14 C ATOM 728 CG ARG A 47 -4.698 7.513 2.994 1.00 53.20 C ATOM 729 CD ARG A 47 -4.833 9.024 3.107 1.00 24.03 C ATOM 730 NE ARG A 47 -3.620 9.643 3.636 1.00 32.14 N ATOM 731 CZ ARG A 47 -3.406 10.954 3.639 1.00 35.15 C ATOM 732 NH1 ARG A 47 -4.318 11.779 3.144 1.00 61.22 N ATOM 733 NH2 ARG A 47 -2.278 11.442 4.138 1.00 24.54 N ATOM 0 H ARG A 47 -6.948 6.460 2.255 1.00 31.40 H new ATOM 0 HA ARG A 47 -5.854 8.467 0.475 1.00 42.23 H new ATOM 0 HB2 ARG A 47 -4.453 5.992 1.509 1.00 2.14 H new ATOM 0 HB3 ARG A 47 -3.753 7.539 1.074 1.00 2.14 H new ATOM 0 HG2 ARG A 47 -5.550 7.033 3.476 1.00 53.20 H new ATOM 0 HG3 ARG A 47 -3.805 7.185 3.526 1.00 53.20 H new ATOM 0 HD2 ARG A 47 -5.055 9.443 2.125 1.00 24.03 H new ATOM 0 HD3 ARG A 47 -5.676 9.265 3.755 1.00 24.03 H new ATOM 0 HE ARG A 47 -2.898 9.036 4.024 1.00 32.14 H new ATOM 0 HH11 ARG A 47 -5.187 11.408 2.760 1.00 61.22 H new ATOM 0 HH12 ARG A 47 -4.151 12.785 3.148 1.00 61.22 H new ATOM 0 HH21 ARG A 47 -1.574 10.810 4.520 1.00 24.54 H new ATOM 0 HH22 ARG A 47 -2.115 12.449 4.140 1.00 24.54 H new ATOM 747 N ILE A 48 -6.326 5.350 -0.472 1.00 2.22 N ATOM 748 CA ILE A 48 -6.388 4.473 -1.635 1.00 31.42 C ATOM 749 C ILE A 48 -7.773 4.503 -2.273 1.00 13.35 C ATOM 750 O ILE A 48 -8.265 3.488 -2.765 1.00 60.42 O ATOM 751 CB ILE A 48 -6.039 3.020 -1.264 1.00 3.24 C ATOM 752 CG1 ILE A 48 -6.997 2.500 -0.190 1.00 61.40 C ATOM 753 CG2 ILE A 48 -4.598 2.928 -0.783 1.00 43.02 C ATOM 754 CD1 ILE A 48 -6.740 1.062 0.205 1.00 51.40 C ATOM 0 H ILE A 48 -6.650 4.923 0.396 1.00 2.22 H new ATOM 0 HA ILE A 48 -5.653 4.844 -2.349 1.00 31.42 H new ATOM 0 HB ILE A 48 -6.147 2.398 -2.153 1.00 3.24 H new ATOM 0 HG12 ILE A 48 -6.915 3.131 0.695 1.00 61.40 H new ATOM 0 HG13 ILE A 48 -8.021 2.591 -0.553 1.00 61.40 H new ATOM 0 HG21 ILE A 48 -4.366 1.895 -0.524 1.00 43.02 H new ATOM 0 HG22 ILE A 48 -3.928 3.263 -1.575 1.00 43.02 H new ATOM 0 HG23 ILE A 48 -4.467 3.560 0.095 1.00 43.02 H new ATOM 0 HD11 ILE A 48 -7.456 0.761 0.970 1.00 51.40 H new ATOM 0 HD12 ILE A 48 -6.851 0.419 -0.668 1.00 51.40 H new ATOM 0 HD13 ILE A 48 -5.728 0.968 0.599 1.00 51.40 H new ATOM 1035 N THR A 62 -43.967 15.751 -20.604 1.00 3.14 N ATOM 1036 CA THR A 62 -44.338 14.830 -21.670 1.00 44.24 C ATOM 1037 C THR A 62 -43.265 13.766 -21.876 1.00 3.43 C ATOM 1038 O THR A 62 -42.104 13.967 -21.519 1.00 30.50 O ATOM 1039 CB THR A 62 -44.568 15.573 -23.000 1.00 31.32 C ATOM 1040 OG1 THR A 62 -44.951 16.929 -22.743 1.00 25.02 O ATOM 1041 CG2 THR A 62 -45.646 14.885 -23.825 1.00 33.14 C ATOM 0 HA THR A 62 -45.268 14.351 -21.364 1.00 44.24 H new ATOM 0 HB THR A 62 -43.636 15.559 -23.565 1.00 31.32 H new ATOM 0 HG1 THR A 62 -44.652 17.189 -21.847 1.00 25.02 H new ATOM 0 HG21 THR A 62 -45.791 15.427 -24.759 1.00 33.14 H new ATOM 0 HG22 THR A 62 -45.340 13.862 -24.043 1.00 33.14 H new ATOM 0 HG23 THR A 62 -46.581 14.872 -23.264 1.00 33.14 H new ATOM 1049 N GLU A 63 -43.660 12.637 -22.454 1.00 21.40 N ATOM 1050 CA GLU A 63 -42.730 11.542 -22.706 1.00 73.44 C ATOM 1051 C GLU A 63 -41.656 11.961 -23.705 1.00 60.44 C ATOM 1052 O GLU A 63 -40.467 11.732 -23.484 1.00 13.24 O ATOM 1053 CB GLU A 63 -43.482 10.316 -23.231 1.00 43.44 C ATOM 1054 CG GLU A 63 -43.983 9.393 -22.134 1.00 41.23 C ATOM 1055 CD GLU A 63 -44.948 8.343 -22.650 1.00 51.34 C ATOM 1056 OE1 GLU A 63 -46.141 8.670 -22.823 1.00 72.02 O ATOM 1057 OE2 GLU A 63 -44.511 7.197 -22.881 1.00 41.13 O ATOM 0 H GLU A 63 -44.617 12.456 -22.757 1.00 21.40 H new ATOM 0 HA GLU A 63 -42.245 11.286 -21.764 1.00 73.44 H new ATOM 0 HB2 GLU A 63 -44.330 10.649 -23.829 1.00 43.44 H new ATOM 0 HB3 GLU A 63 -42.825 9.754 -23.895 1.00 43.44 H new ATOM 0 HG2 GLU A 63 -43.133 8.899 -21.663 1.00 41.23 H new ATOM 0 HG3 GLU A 63 -44.475 9.985 -21.363 1.00 41.23 H new ATOM 1064 N GLU A 64 -42.084 12.573 -24.805 1.00 2.44 N ATOM 1065 CA GLU A 64 -41.158 13.022 -25.837 1.00 43.24 C ATOM 1066 C GLU A 64 -40.415 14.279 -25.393 1.00 60.45 C ATOM 1067 O GLU A 64 -39.262 14.495 -25.768 1.00 53.01 O ATOM 1068 CB GLU A 64 -41.909 13.295 -27.142 1.00 44.23 C ATOM 1069 CG GLU A 64 -41.453 12.423 -28.301 1.00 33.42 C ATOM 1070 CD GLU A 64 -42.090 12.822 -29.617 1.00 71.02 C ATOM 1071 OE1 GLU A 64 -42.158 14.038 -29.899 1.00 65.40 O ATOM 1072 OE2 GLU A 64 -42.521 11.921 -30.366 1.00 63.01 O ATOM 0 H GLU A 64 -43.065 12.769 -25.004 1.00 2.44 H new ATOM 0 HA GLU A 64 -40.428 12.230 -26.004 1.00 43.24 H new ATOM 0 HB2 GLU A 64 -42.975 13.138 -26.978 1.00 44.23 H new ATOM 0 HB3 GLU A 64 -41.779 14.343 -27.414 1.00 44.23 H new ATOM 0 HG2 GLU A 64 -40.369 12.485 -28.393 1.00 33.42 H new ATOM 0 HG3 GLU A 64 -41.695 11.382 -28.085 1.00 33.42 H new ATOM 1079 N GLU A 65 -41.083 15.103 -24.593 1.00 21.23 N ATOM 1080 CA GLU A 65 -40.486 16.339 -24.099 1.00 61.02 C ATOM 1081 C GLU A 65 -39.313 16.042 -23.170 1.00 43.24 C ATOM 1082 O GLU A 65 -38.198 16.520 -23.386 1.00 52.41 O ATOM 1083 CB GLU A 65 -41.534 17.179 -23.365 1.00 65.43 C ATOM 1084 CG GLU A 65 -42.489 17.908 -24.294 1.00 32.14 C ATOM 1085 CD GLU A 65 -43.167 19.088 -23.626 1.00 5.03 C ATOM 1086 OE1 GLU A 65 -42.605 19.616 -22.643 1.00 35.25 O ATOM 1087 OE2 GLU A 65 -44.257 19.484 -24.086 1.00 34.23 O ATOM 0 H GLU A 65 -42.037 14.938 -24.273 1.00 21.23 H new ATOM 0 HA GLU A 65 -40.115 16.902 -24.955 1.00 61.02 H new ATOM 0 HB2 GLU A 65 -42.108 16.531 -22.703 1.00 65.43 H new ATOM 0 HB3 GLU A 65 -41.026 17.909 -22.735 1.00 65.43 H new ATOM 0 HG2 GLU A 65 -41.942 18.256 -25.170 1.00 32.14 H new ATOM 0 HG3 GLU A 65 -43.248 17.211 -24.648 1.00 32.14 H new ATOM 1094 N LEU A 66 -39.571 15.251 -22.135 1.00 33.04 N ATOM 1095 CA LEU A 66 -38.537 14.890 -21.171 1.00 11.34 C ATOM 1096 C LEU A 66 -37.328 14.280 -21.872 1.00 21.01 C ATOM 1097 O LEU A 66 -36.199 14.393 -21.395 1.00 40.34 O ATOM 1098 CB LEU A 66 -39.094 13.907 -20.140 1.00 11.11 C ATOM 1099 CG LEU A 66 -39.160 12.442 -20.576 1.00 44.45 C ATOM 1100 CD1 LEU A 66 -37.890 11.709 -20.175 1.00 44.32 C ATOM 1101 CD2 LEU A 66 -40.382 11.762 -19.978 1.00 53.10 C ATOM 0 H LEU A 66 -40.487 14.847 -21.941 1.00 33.04 H new ATOM 0 HA LEU A 66 -38.217 15.799 -20.661 1.00 11.34 H new ATOM 0 HB2 LEU A 66 -38.482 13.970 -19.240 1.00 11.11 H new ATOM 0 HB3 LEU A 66 -40.099 14.229 -19.866 1.00 11.11 H new ATOM 0 HG LEU A 66 -39.247 12.409 -21.662 1.00 44.45 H new ATOM 0 HD11 LEU A 66 -37.955 10.668 -20.493 1.00 44.32 H new ATOM 0 HD12 LEU A 66 -37.031 12.182 -20.652 1.00 44.32 H new ATOM 0 HD13 LEU A 66 -37.772 11.751 -19.092 1.00 44.32 H new ATOM 0 HD21 LEU A 66 -40.413 10.721 -20.299 1.00 53.10 H new ATOM 0 HD22 LEU A 66 -40.326 11.805 -18.890 1.00 53.10 H new ATOM 0 HD23 LEU A 66 -41.284 12.272 -20.316 1.00 53.10 H new ATOM 1113 N ALA A 67 -37.573 13.634 -23.008 1.00 2.23 N ATOM 1114 CA ALA A 67 -36.504 13.009 -23.777 1.00 21.42 C ATOM 1115 C ALA A 67 -35.760 14.039 -24.620 1.00 74.34 C ATOM 1116 O ALA A 67 -34.585 13.862 -24.942 1.00 42.25 O ATOM 1117 CB ALA A 67 -37.066 11.906 -24.660 1.00 44.14 C ATOM 0 H ALA A 67 -38.502 13.530 -23.416 1.00 2.23 H new ATOM 0 HA ALA A 67 -35.793 12.571 -23.076 1.00 21.42 H new ATOM 0 HB1 ALA A 67 -36.257 11.448 -25.229 1.00 44.14 H new ATOM 0 HB2 ALA A 67 -37.545 11.150 -24.038 1.00 44.14 H new ATOM 0 HB3 ALA A 67 -37.799 12.328 -25.347 1.00 44.14 H new ATOM 1123 N THR A 68 -36.453 15.116 -24.977 1.00 52.13 N ATOM 1124 CA THR A 68 -35.860 16.174 -25.785 1.00 44.22 C ATOM 1125 C THR A 68 -35.077 17.154 -24.919 1.00 50.31 C ATOM 1126 O THR A 68 -33.947 17.520 -25.245 1.00 40.31 O ATOM 1127 CB THR A 68 -36.932 16.948 -26.574 1.00 62.14 C ATOM 1128 OG1 THR A 68 -37.670 16.048 -27.409 1.00 71.53 O ATOM 1129 CG2 THR A 68 -36.297 18.035 -27.428 1.00 53.01 C ATOM 0 H THR A 68 -37.426 15.278 -24.719 1.00 52.13 H new ATOM 0 HA THR A 68 -35.181 15.691 -26.488 1.00 44.22 H new ATOM 0 HB THR A 68 -37.608 17.418 -25.860 1.00 62.14 H new ATOM 0 HG1 THR A 68 -38.244 15.482 -26.852 1.00 71.53 H new ATOM 0 HG21 THR A 68 -37.074 18.568 -27.976 1.00 53.01 H new ATOM 0 HG22 THR A 68 -35.760 18.734 -26.787 1.00 53.01 H new ATOM 0 HG23 THR A 68 -35.601 17.583 -28.134 1.00 53.01 H new ATOM 1137 N ILE A 69 -35.682 17.574 -23.813 1.00 54.40 N ATOM 1138 CA ILE A 69 -35.041 18.511 -22.900 1.00 25.50 C ATOM 1139 C ILE A 69 -33.696 17.975 -22.418 1.00 74.03 C ATOM 1140 O ILE A 69 -32.737 18.730 -22.258 1.00 72.04 O ATOM 1141 CB ILE A 69 -35.931 18.805 -21.678 1.00 24.24 C ATOM 1142 CG1 ILE A 69 -35.237 19.796 -20.741 1.00 71.25 C ATOM 1143 CG2 ILE A 69 -36.263 17.516 -20.942 1.00 41.11 C ATOM 1144 CD1 ILE A 69 -36.183 20.486 -19.784 1.00 35.25 C ATOM 0 H ILE A 69 -36.616 17.280 -23.528 1.00 54.40 H new ATOM 0 HA ILE A 69 -34.884 19.436 -23.455 1.00 25.50 H new ATOM 0 HB ILE A 69 -36.862 19.253 -22.025 1.00 24.24 H new ATOM 0 HG12 ILE A 69 -34.474 19.269 -20.168 1.00 71.25 H new ATOM 0 HG13 ILE A 69 -34.723 20.550 -21.338 1.00 71.25 H new ATOM 0 HG21 ILE A 69 -36.893 17.740 -20.081 1.00 41.11 H new ATOM 0 HG22 ILE A 69 -36.793 16.840 -21.613 1.00 41.11 H new ATOM 0 HG23 ILE A 69 -35.341 17.042 -20.604 1.00 41.11 H new ATOM 0 HD11 ILE A 69 -35.622 21.174 -19.151 1.00 35.25 H new ATOM 0 HD12 ILE A 69 -36.931 21.041 -20.349 1.00 35.25 H new ATOM 0 HD13 ILE A 69 -36.678 19.741 -19.161 1.00 35.25 H new ATOM 1156 N ARG A 70 -33.635 16.667 -22.190 1.00 45.22 N ATOM 1157 CA ARG A 70 -32.407 16.030 -21.727 1.00 72.53 C ATOM 1158 C ARG A 70 -31.248 16.331 -22.672 1.00 53.01 C ATOM 1159 O ARG A 70 -30.084 16.281 -22.277 1.00 34.30 O ATOM 1160 CB ARG A 70 -32.606 14.517 -21.613 1.00 71.11 C ATOM 1161 CG ARG A 70 -32.507 13.788 -22.943 1.00 72.14 C ATOM 1162 CD ARG A 70 -31.127 13.180 -23.145 1.00 1.13 C ATOM 1163 NE ARG A 70 -31.054 11.811 -22.642 1.00 5.11 N ATOM 1164 CZ ARG A 70 -31.552 10.763 -23.288 1.00 4.25 C ATOM 1165 NH1 ARG A 70 -32.156 10.927 -24.455 1.00 72.24 N ATOM 1166 NH2 ARG A 70 -31.444 9.548 -22.765 1.00 51.43 N ATOM 0 H ARG A 70 -34.420 16.028 -22.318 1.00 45.22 H new ATOM 0 HA ARG A 70 -32.165 16.434 -20.744 1.00 72.53 H new ATOM 0 HB2 ARG A 70 -31.860 14.111 -20.930 1.00 71.11 H new ATOM 0 HB3 ARG A 70 -33.583 14.320 -21.172 1.00 71.11 H new ATOM 0 HG2 ARG A 70 -33.261 13.002 -22.985 1.00 72.14 H new ATOM 0 HG3 ARG A 70 -32.723 14.481 -23.756 1.00 72.14 H new ATOM 0 HD2 ARG A 70 -30.878 13.190 -24.206 1.00 1.13 H new ATOM 0 HD3 ARG A 70 -30.383 13.793 -22.637 1.00 1.13 H new ATOM 0 HE ARG A 70 -30.595 11.651 -21.745 1.00 5.11 H new ATOM 0 HH11 ARG A 70 -32.239 11.860 -24.859 1.00 72.24 H new ATOM 0 HH12 ARG A 70 -32.538 10.121 -24.949 1.00 72.24 H new ATOM 0 HH21 ARG A 70 -30.978 9.419 -21.867 1.00 51.43 H new ATOM 0 HH22 ARG A 70 -31.827 8.743 -23.261 1.00 51.43 H new ATOM 1180 N GLU A 71 -31.577 16.645 -23.922 1.00 43.53 N ATOM 1181 CA GLU A 71 -30.561 16.954 -24.923 1.00 34.34 C ATOM 1182 C GLU A 71 -29.625 18.053 -24.427 1.00 72.24 C ATOM 1183 O GLU A 71 -28.445 18.082 -24.778 1.00 5.21 O ATOM 1184 CB GLU A 71 -31.221 17.385 -26.234 1.00 73.41 C ATOM 1185 CG GLU A 71 -30.258 17.451 -27.408 1.00 3.44 C ATOM 1186 CD GLU A 71 -30.470 16.328 -28.402 1.00 15.01 C ATOM 1187 OE1 GLU A 71 -30.822 15.211 -27.970 1.00 35.24 O ATOM 1188 OE2 GLU A 71 -30.285 16.566 -29.614 1.00 41.53 O ATOM 0 H GLU A 71 -32.536 16.692 -24.265 1.00 43.53 H new ATOM 0 HA GLU A 71 -29.974 16.053 -25.099 1.00 34.34 H new ATOM 0 HB2 GLU A 71 -32.024 16.688 -26.473 1.00 73.41 H new ATOM 0 HB3 GLU A 71 -31.679 18.364 -26.095 1.00 73.41 H new ATOM 0 HG2 GLU A 71 -30.376 18.408 -27.916 1.00 3.44 H new ATOM 0 HG3 GLU A 71 -29.234 17.413 -27.036 1.00 3.44 H new ATOM 1195 N LEU A 72 -30.160 18.953 -23.610 1.00 54.14 N ATOM 1196 CA LEU A 72 -29.373 20.055 -23.066 1.00 51.24 C ATOM 1197 C LEU A 72 -28.116 19.537 -22.377 1.00 25.21 C ATOM 1198 O LEU A 72 -27.139 20.269 -22.211 1.00 13.32 O ATOM 1199 CB LEU A 72 -30.212 20.868 -22.079 1.00 71.44 C ATOM 1200 CG LEU A 72 -30.160 20.412 -20.621 1.00 2.55 C ATOM 1201 CD1 LEU A 72 -30.453 18.923 -20.515 1.00 43.15 C ATOM 1202 CD2 LEU A 72 -28.804 20.736 -20.009 1.00 33.33 C ATOM 0 H LEU A 72 -31.135 18.942 -23.309 1.00 54.14 H new ATOM 0 HA LEU A 72 -29.073 20.698 -23.893 1.00 51.24 H new ATOM 0 HB2 LEU A 72 -29.886 21.907 -22.126 1.00 71.44 H new ATOM 0 HB3 LEU A 72 -31.250 20.844 -22.410 1.00 71.44 H new ATOM 0 HG LEU A 72 -30.926 20.952 -20.064 1.00 2.55 H new ATOM 0 HD11 LEU A 72 -30.411 18.617 -19.470 1.00 43.15 H new ATOM 0 HD12 LEU A 72 -31.447 18.718 -20.913 1.00 43.15 H new ATOM 0 HD13 LEU A 72 -29.711 18.365 -21.086 1.00 43.15 H new ATOM 0 HD21 LEU A 72 -28.785 20.404 -18.971 1.00 33.33 H new ATOM 0 HD22 LEU A 72 -28.021 20.224 -20.568 1.00 33.33 H new ATOM 0 HD23 LEU A 72 -28.634 21.812 -20.049 1.00 33.33 H new ATOM 1214 N TYR A 73 -28.144 18.270 -21.979 1.00 51.24 N ATOM 1215 CA TYR A 73 -27.007 17.654 -21.307 1.00 42.42 C ATOM 1216 C TYR A 73 -25.928 17.258 -22.312 1.00 54.52 C ATOM 1217 O TYR A 73 -24.733 17.393 -22.045 1.00 33.44 O ATOM 1218 CB TYR A 73 -27.459 16.424 -20.517 1.00 42.02 C ATOM 1219 CG TYR A 73 -26.886 16.359 -19.119 1.00 34.44 C ATOM 1220 CD1 TYR A 73 -25.520 16.484 -18.900 1.00 0.14 C ATOM 1221 CD2 TYR A 73 -27.713 16.172 -18.017 1.00 41.15 C ATOM 1222 CE1 TYR A 73 -24.993 16.425 -17.624 1.00 31.32 C ATOM 1223 CE2 TYR A 73 -27.195 16.112 -16.738 1.00 54.11 C ATOM 1224 CZ TYR A 73 -25.835 16.239 -16.547 1.00 3.31 C ATOM 1225 OH TYR A 73 -25.315 16.179 -15.274 1.00 42.24 O ATOM 0 H TYR A 73 -28.943 17.649 -22.110 1.00 51.24 H new ATOM 0 HA TYR A 73 -26.586 18.386 -20.618 1.00 42.42 H new ATOM 0 HB2 TYR A 73 -28.547 16.422 -20.455 1.00 42.02 H new ATOM 0 HB3 TYR A 73 -27.169 15.526 -21.062 1.00 42.02 H new ATOM 0 HD1 TYR A 73 -24.859 16.630 -19.741 1.00 0.14 H new ATOM 0 HD2 TYR A 73 -28.778 16.072 -18.164 1.00 41.15 H new ATOM 0 HE1 TYR A 73 -23.929 16.524 -17.471 1.00 31.32 H new ATOM 0 HE2 TYR A 73 -27.851 15.967 -15.893 1.00 54.11 H new ATOM 0 HH TYR A 73 -26.041 16.045 -14.630 1.00 42.24 H new ATOM 1235 N LEU A 74 -26.360 16.771 -23.471 1.00 2.15 N ATOM 1236 CA LEU A 74 -25.433 16.356 -24.518 1.00 74.22 C ATOM 1237 C LEU A 74 -24.810 17.568 -25.205 1.00 32.40 C ATOM 1238 O LEU A 74 -23.601 17.612 -25.433 1.00 63.44 O ATOM 1239 CB LEU A 74 -26.155 15.486 -25.549 1.00 13.54 C ATOM 1240 CG LEU A 74 -26.580 14.097 -25.075 1.00 21.42 C ATOM 1241 CD1 LEU A 74 -25.413 13.377 -24.417 1.00 61.35 C ATOM 1242 CD2 LEU A 74 -27.756 14.197 -24.114 1.00 74.24 C ATOM 0 H LEU A 74 -27.345 16.654 -23.709 1.00 2.15 H new ATOM 0 HA LEU A 74 -24.636 15.774 -24.055 1.00 74.22 H new ATOM 0 HB2 LEU A 74 -27.043 16.020 -25.887 1.00 13.54 H new ATOM 0 HB3 LEU A 74 -25.504 15.369 -26.415 1.00 13.54 H new ATOM 0 HG LEU A 74 -26.894 13.519 -25.944 1.00 21.42 H new ATOM 0 HD11 LEU A 74 -25.735 12.390 -24.086 1.00 61.35 H new ATOM 0 HD12 LEU A 74 -24.599 13.272 -25.134 1.00 61.35 H new ATOM 0 HD13 LEU A 74 -25.068 13.953 -23.558 1.00 61.35 H new ATOM 0 HD21 LEU A 74 -28.045 13.198 -23.787 1.00 74.24 H new ATOM 0 HD22 LEU A 74 -27.469 14.793 -23.248 1.00 74.24 H new ATOM 0 HD23 LEU A 74 -28.598 14.671 -24.618 1.00 74.24 H new ATOM 1254 N LYS A 75 -25.643 18.551 -25.529 1.00 43.10 N ATOM 1255 CA LYS A 75 -25.174 19.765 -26.187 1.00 15.24 C ATOM 1256 C LYS A 75 -24.626 20.759 -25.166 1.00 64.53 C ATOM 1257 O LYS A 75 -23.865 21.660 -25.513 1.00 1.54 O ATOM 1258 CB LYS A 75 -26.311 20.410 -26.982 1.00 62.23 C ATOM 1259 CG LYS A 75 -26.811 19.552 -28.133 1.00 2.45 C ATOM 1260 CD LYS A 75 -27.652 20.361 -29.105 1.00 62.45 C ATOM 1261 CE LYS A 75 -28.896 20.923 -28.433 1.00 61.14 C ATOM 1262 NZ LYS A 75 -28.959 22.408 -28.537 1.00 24.44 N ATOM 0 H LYS A 75 -26.646 18.531 -25.347 1.00 43.10 H new ATOM 0 HA LYS A 75 -24.370 19.491 -26.871 1.00 15.24 H new ATOM 0 HB2 LYS A 75 -27.142 20.619 -26.308 1.00 62.23 H new ATOM 0 HB3 LYS A 75 -25.971 21.368 -27.375 1.00 62.23 H new ATOM 0 HG2 LYS A 75 -25.962 19.117 -28.660 1.00 2.45 H new ATOM 0 HG3 LYS A 75 -27.401 18.724 -27.741 1.00 2.45 H new ATOM 0 HD2 LYS A 75 -27.056 21.178 -29.511 1.00 62.45 H new ATOM 0 HD3 LYS A 75 -27.944 19.732 -29.946 1.00 62.45 H new ATOM 0 HE2 LYS A 75 -29.784 20.489 -28.892 1.00 61.14 H new ATOM 0 HE3 LYS A 75 -28.905 20.632 -27.383 1.00 61.14 H new ATOM 0 HZ1 LYS A 75 -29.821 22.753 -28.067 1.00 24.44 H new ATOM 0 HZ2 LYS A 75 -28.124 22.824 -28.077 1.00 24.44 H new ATOM 0 HZ3 LYS A 75 -28.976 22.685 -29.539 1.00 24.44 H new ATOM 1276 N GLY A 76 -25.018 20.585 -23.908 1.00 21.04 N ATOM 1277 CA GLY A 76 -24.555 21.473 -22.857 1.00 50.54 C ATOM 1278 C GLY A 76 -25.338 22.770 -22.808 1.00 54.31 C ATOM 1279 O GLY A 76 -24.911 23.737 -22.179 1.00 11.44 O ATOM 0 H GLY A 76 -25.648 19.845 -23.597 1.00 21.04 H new ATOM 0 HA2 GLY A 76 -24.636 20.966 -21.895 1.00 50.54 H new ATOM 0 HA3 GLY A 76 -23.499 21.695 -23.012 1.00 50.54 H new ATOM 1283 N ALA A 77 -26.487 22.792 -23.477 1.00 23.24 N ATOM 1284 CA ALA A 77 -27.331 23.980 -23.506 1.00 1.33 C ATOM 1285 C ALA A 77 -27.820 24.340 -22.107 1.00 54.21 C ATOM 1286 O ALA A 77 -27.621 23.586 -21.154 1.00 62.05 O ATOM 1287 CB ALA A 77 -28.511 23.766 -24.442 1.00 20.13 C ATOM 0 H ALA A 77 -26.854 22.001 -24.006 1.00 23.24 H new ATOM 0 HA ALA A 77 -26.733 24.812 -23.878 1.00 1.33 H new ATOM 0 HB1 ALA A 77 -29.133 24.661 -24.454 1.00 20.13 H new ATOM 0 HB2 ALA A 77 -28.145 23.565 -25.449 1.00 20.13 H new ATOM 0 HB3 ALA A 77 -29.102 22.918 -24.095 1.00 20.13 H new ATOM 1293 N THR A 78 -28.464 25.498 -21.990 1.00 2.34 N ATOM 1294 CA THR A 78 -28.980 25.959 -20.708 1.00 10.13 C ATOM 1295 C THR A 78 -30.502 26.045 -20.726 1.00 53.43 C ATOM 1296 O THR A 78 -31.137 25.776 -21.747 1.00 44.04 O ATOM 1297 CB THR A 78 -28.404 27.338 -20.332 1.00 60.45 C ATOM 1298 OG1 THR A 78 -28.901 28.337 -21.229 1.00 3.25 O ATOM 1299 CG2 THR A 78 -26.883 27.318 -20.379 1.00 11.54 C ATOM 0 H THR A 78 -28.640 26.133 -22.768 1.00 2.34 H new ATOM 0 HA THR A 78 -28.669 25.228 -19.962 1.00 10.13 H new ATOM 0 HB THR A 78 -28.718 27.575 -19.315 1.00 60.45 H new ATOM 0 HG1 THR A 78 -28.532 29.211 -20.983 1.00 3.25 H new ATOM 0 HG21 THR A 78 -26.498 28.302 -20.110 1.00 11.54 H new ATOM 0 HG22 THR A 78 -26.507 26.576 -19.675 1.00 11.54 H new ATOM 0 HG23 THR A 78 -26.553 27.062 -21.386 1.00 11.54 H new ATOM 1307 N VAL A 79 -31.084 26.424 -19.593 1.00 4.42 N ATOM 1308 CA VAL A 79 -32.531 26.549 -19.480 1.00 20.51 C ATOM 1309 C VAL A 79 -33.087 27.483 -20.549 1.00 34.51 C ATOM 1310 O VAL A 79 -34.228 27.331 -20.988 1.00 4.54 O ATOM 1311 CB VAL A 79 -32.944 27.072 -18.091 1.00 61.24 C ATOM 1312 CG1 VAL A 79 -34.457 27.043 -17.938 1.00 1.00 C ATOM 1313 CG2 VAL A 79 -32.273 26.258 -16.995 1.00 61.31 C ATOM 0 H VAL A 79 -30.574 26.650 -18.739 1.00 4.42 H new ATOM 0 HA VAL A 79 -32.946 25.551 -19.621 1.00 20.51 H new ATOM 0 HB VAL A 79 -32.613 28.106 -17.998 1.00 61.24 H new ATOM 0 HG11 VAL A 79 -34.730 27.416 -16.951 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -34.912 27.673 -18.702 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -34.815 26.020 -18.051 1.00 1.00 H new ATOM 0 HG21 VAL A 79 -32.576 26.641 -16.020 1.00 61.31 H new ATOM 0 HG22 VAL A 79 -32.571 25.213 -17.083 1.00 61.31 H new ATOM 0 HG23 VAL A 79 -31.190 26.336 -17.095 1.00 61.31 H new ATOM 1323 N TYR A 80 -32.275 28.448 -20.963 1.00 62.31 N ATOM 1324 CA TYR A 80 -32.687 29.410 -21.980 1.00 64.32 C ATOM 1325 C TYR A 80 -32.725 28.760 -23.359 1.00 70.34 C ATOM 1326 O TYR A 80 -33.447 29.209 -24.249 1.00 33.14 O ATOM 1327 CB TYR A 80 -31.735 30.607 -21.994 1.00 63.12 C ATOM 1328 CG TYR A 80 -32.258 31.786 -22.782 1.00 14.13 C ATOM 1329 CD1 TYR A 80 -32.114 31.845 -24.162 1.00 3.32 C ATOM 1330 CD2 TYR A 80 -32.899 32.843 -22.145 1.00 43.31 C ATOM 1331 CE1 TYR A 80 -32.589 32.921 -24.885 1.00 52.03 C ATOM 1332 CE2 TYR A 80 -33.378 33.922 -22.860 1.00 54.32 C ATOM 1333 CZ TYR A 80 -33.221 33.958 -24.230 1.00 34.01 C ATOM 1334 OH TYR A 80 -33.698 35.030 -24.947 1.00 54.53 O ATOM 0 H TYR A 80 -31.328 28.586 -20.611 1.00 62.31 H new ATOM 0 HA TYR A 80 -33.691 29.756 -21.733 1.00 64.32 H new ATOM 0 HB2 TYR A 80 -31.545 30.922 -20.968 1.00 63.12 H new ATOM 0 HB3 TYR A 80 -30.779 30.295 -22.414 1.00 63.12 H new ATOM 0 HD1 TYR A 80 -31.622 31.035 -24.679 1.00 3.32 H new ATOM 0 HD2 TYR A 80 -33.024 32.819 -21.073 1.00 43.31 H new ATOM 0 HE1 TYR A 80 -32.467 32.951 -25.958 1.00 52.03 H new ATOM 0 HE2 TYR A 80 -33.873 34.734 -22.349 1.00 54.32 H new ATOM 0 HH TYR A 80 -34.117 35.672 -24.336 1.00 54.53 H new ATOM 1344 N GLU A 81 -31.942 27.699 -23.530 1.00 22.53 N ATOM 1345 CA GLU A 81 -31.887 26.987 -24.801 1.00 4.24 C ATOM 1346 C GLU A 81 -33.102 26.080 -24.971 1.00 14.14 C ATOM 1347 O GLU A 81 -33.796 26.137 -25.986 1.00 44.02 O ATOM 1348 CB GLU A 81 -30.603 26.160 -24.892 1.00 25.03 C ATOM 1349 CG GLU A 81 -29.345 27.001 -25.033 1.00 51.52 C ATOM 1350 CD GLU A 81 -29.096 27.442 -26.462 1.00 2.40 C ATOM 1351 OE1 GLU A 81 -28.526 26.648 -27.238 1.00 32.31 O ATOM 1352 OE2 GLU A 81 -29.471 28.584 -26.804 1.00 72.44 O ATOM 0 H GLU A 81 -31.337 27.314 -22.804 1.00 22.53 H new ATOM 0 HA GLU A 81 -31.893 27.726 -25.602 1.00 4.24 H new ATOM 0 HB2 GLU A 81 -30.517 25.539 -24.000 1.00 25.03 H new ATOM 0 HB3 GLU A 81 -30.676 25.485 -25.744 1.00 25.03 H new ATOM 0 HG2 GLU A 81 -29.427 27.880 -24.394 1.00 51.52 H new ATOM 0 HG3 GLU A 81 -28.488 26.428 -24.679 1.00 51.52 H new ATOM 1359 N ILE A 82 -33.352 25.244 -23.969 1.00 33.41 N ATOM 1360 CA ILE A 82 -34.484 24.325 -24.007 1.00 23.44 C ATOM 1361 C ILE A 82 -35.787 25.068 -24.281 1.00 61.44 C ATOM 1362 O ILE A 82 -36.687 24.542 -24.934 1.00 43.15 O ATOM 1363 CB ILE A 82 -34.620 23.545 -22.685 1.00 32.24 C ATOM 1364 CG1 ILE A 82 -34.557 24.503 -21.494 1.00 41.30 C ATOM 1365 CG2 ILE A 82 -33.532 22.487 -22.580 1.00 11.22 C ATOM 1366 CD1 ILE A 82 -34.828 23.833 -20.165 1.00 10.42 C ATOM 0 H ILE A 82 -32.787 25.184 -23.122 1.00 33.41 H new ATOM 0 HA ILE A 82 -34.292 23.622 -24.817 1.00 23.44 H new ATOM 0 HB ILE A 82 -35.588 23.044 -22.673 1.00 32.24 H new ATOM 0 HG12 ILE A 82 -33.571 24.967 -21.463 1.00 41.30 H new ATOM 0 HG13 ILE A 82 -35.282 25.303 -21.643 1.00 41.30 H new ATOM 0 HG21 ILE A 82 -33.641 21.945 -21.641 1.00 11.22 H new ATOM 0 HG22 ILE A 82 -33.620 21.790 -23.414 1.00 11.22 H new ATOM 0 HG23 ILE A 82 -32.554 22.967 -22.610 1.00 11.22 H new ATOM 0 HD11 ILE A 82 -34.767 24.572 -19.366 1.00 10.42 H new ATOM 0 HD12 ILE A 82 -35.825 23.392 -20.176 1.00 10.42 H new ATOM 0 HD13 ILE A 82 -34.088 23.051 -19.994 1.00 10.42 H new ATOM 1378 N ALA A 83 -35.879 26.296 -23.781 1.00 23.44 N ATOM 1379 CA ALA A 83 -37.070 27.112 -23.975 1.00 42.22 C ATOM 1380 C ALA A 83 -37.335 27.350 -25.459 1.00 2.45 C ATOM 1381 O ALA A 83 -38.454 27.162 -25.937 1.00 25.32 O ATOM 1382 CB ALA A 83 -36.925 28.439 -23.244 1.00 31.24 C ATOM 0 H ALA A 83 -35.142 26.747 -23.238 1.00 23.44 H new ATOM 0 HA ALA A 83 -37.922 26.573 -23.561 1.00 42.22 H new ATOM 0 HB1 ALA A 83 -37.822 29.039 -23.397 1.00 31.24 H new ATOM 0 HB2 ALA A 83 -36.790 28.254 -22.178 1.00 31.24 H new ATOM 0 HB3 ALA A 83 -36.059 28.975 -23.632 1.00 31.24 H new ATOM 1388 N ARG A 84 -36.300 27.768 -26.180 1.00 62.04 N ATOM 1389 CA ARG A 84 -36.423 28.034 -27.608 1.00 72.31 C ATOM 1390 C ARG A 84 -36.536 26.732 -28.397 1.00 24.24 C ATOM 1391 O ARG A 84 -37.361 26.613 -29.301 1.00 60.02 O ATOM 1392 CB ARG A 84 -35.220 28.839 -28.104 1.00 34.31 C ATOM 1393 CG ARG A 84 -35.582 30.229 -28.603 1.00 1.13 C ATOM 1394 CD ARG A 84 -34.374 31.153 -28.600 1.00 35.05 C ATOM 1395 NE ARG A 84 -34.322 31.988 -29.797 1.00 11.50 N ATOM 1396 CZ ARG A 84 -33.322 32.818 -30.070 1.00 45.43 C ATOM 1397 NH1 ARG A 84 -32.296 32.924 -29.237 1.00 23.52 N ATOM 1398 NH2 ARG A 84 -33.345 33.545 -31.181 1.00 12.33 N ATOM 0 H ARG A 84 -35.368 27.930 -25.799 1.00 62.04 H new ATOM 0 HA ARG A 84 -37.332 28.615 -27.766 1.00 72.31 H new ATOM 0 HB2 ARG A 84 -34.495 28.930 -27.295 1.00 34.31 H new ATOM 0 HB3 ARG A 84 -34.732 28.289 -28.909 1.00 34.31 H new ATOM 0 HG2 ARG A 84 -35.987 30.161 -29.613 1.00 1.13 H new ATOM 0 HG3 ARG A 84 -36.366 30.650 -27.973 1.00 1.13 H new ATOM 0 HD2 ARG A 84 -34.406 31.789 -27.715 1.00 35.05 H new ATOM 0 HD3 ARG A 84 -33.463 30.559 -28.533 1.00 35.05 H new ATOM 0 HE ARG A 84 -35.096 31.931 -30.459 1.00 11.50 H new ATOM 0 HH11 ARG A 84 -32.273 32.367 -28.383 1.00 23.52 H new ATOM 0 HH12 ARG A 84 -31.530 33.563 -29.450 1.00 23.52 H new ATOM 0 HH21 ARG A 84 -34.131 33.466 -31.826 1.00 12.33 H new ATOM 0 HH22 ARG A 84 -32.576 34.182 -31.390 1.00 12.33 H new ATOM 1412 N GLN A 85 -35.701 25.759 -28.045 1.00 62.01 N ATOM 1413 CA GLN A 85 -35.707 24.467 -28.720 1.00 71.23 C ATOM 1414 C GLN A 85 -37.101 23.849 -28.700 1.00 72.42 C ATOM 1415 O GLN A 85 -37.661 23.521 -29.747 1.00 70.00 O ATOM 1416 CB GLN A 85 -34.705 23.518 -28.059 1.00 71.53 C ATOM 1417 CG GLN A 85 -34.559 22.189 -28.782 1.00 74.53 C ATOM 1418 CD GLN A 85 -34.157 21.060 -27.853 1.00 11.22 C ATOM 1419 OE1 GLN A 85 -34.307 21.161 -26.635 1.00 23.02 O ATOM 1420 NE2 GLN A 85 -33.644 19.977 -28.423 1.00 74.33 N ATOM 0 H GLN A 85 -35.013 25.841 -27.297 1.00 62.01 H new ATOM 0 HA GLN A 85 -35.415 24.626 -29.758 1.00 71.23 H new ATOM 0 HB2 GLN A 85 -33.731 24.006 -28.012 1.00 71.53 H new ATOM 0 HB3 GLN A 85 -35.017 23.331 -27.032 1.00 71.53 H new ATOM 0 HG2 GLN A 85 -35.503 21.938 -29.266 1.00 74.53 H new ATOM 0 HG3 GLN A 85 -33.813 22.289 -29.570 1.00 74.53 H new ATOM 0 HE21 GLN A 85 -33.538 19.936 -29.437 1.00 74.33 H new ATOM 0 HE22 GLN A 85 -33.356 19.186 -27.848 1.00 74.33 H new ATOM 1429 N LEU A 86 -37.656 23.691 -27.504 1.00 1.33 N ATOM 1430 CA LEU A 86 -38.985 23.111 -27.346 1.00 53.14 C ATOM 1431 C LEU A 86 -40.064 24.094 -27.793 1.00 45.02 C ATOM 1432 O LEU A 86 -41.202 23.706 -28.054 1.00 3.03 O ATOM 1433 CB LEU A 86 -39.219 22.708 -25.890 1.00 44.13 C ATOM 1434 CG LEU A 86 -38.849 21.271 -25.524 1.00 64.33 C ATOM 1435 CD1 LEU A 86 -39.648 20.284 -26.360 1.00 74.34 C ATOM 1436 CD2 LEU A 86 -37.356 21.041 -25.707 1.00 63.25 C ATOM 0 H LEU A 86 -37.206 23.957 -26.628 1.00 1.33 H new ATOM 0 HA LEU A 86 -39.043 22.223 -27.975 1.00 53.14 H new ATOM 0 HB2 LEU A 86 -38.649 23.383 -25.251 1.00 44.13 H new ATOM 0 HB3 LEU A 86 -40.273 22.862 -25.656 1.00 44.13 H new ATOM 0 HG LEU A 86 -39.095 21.110 -24.475 1.00 64.33 H new ATOM 0 HD11 LEU A 86 -39.371 19.266 -26.085 1.00 74.34 H new ATOM 0 HD12 LEU A 86 -40.713 20.432 -26.179 1.00 74.34 H new ATOM 0 HD13 LEU A 86 -39.434 20.445 -27.417 1.00 74.34 H new ATOM 0 HD21 LEU A 86 -37.111 20.013 -25.442 1.00 63.25 H new ATOM 0 HD22 LEU A 86 -37.085 21.222 -26.747 1.00 63.25 H new ATOM 0 HD23 LEU A 86 -36.801 21.724 -25.063 1.00 63.25 H new ATOM 1448 N GLY A 87 -39.696 25.368 -27.882 1.00 41.03 N ATOM 1449 CA GLY A 87 -40.643 26.386 -28.300 1.00 42.14 C ATOM 1450 C GLY A 87 -41.611 26.765 -27.198 1.00 23.43 C ATOM 1451 O GLY A 87 -42.733 27.191 -27.468 1.00 14.34 O ATOM 0 H GLY A 87 -38.760 25.714 -27.672 1.00 41.03 H new ATOM 0 HA2 GLY A 87 -40.099 27.274 -28.622 1.00 42.14 H new ATOM 0 HA3 GLY A 87 -41.203 26.025 -29.163 1.00 42.14 H new ATOM 1455 N ARG A 88 -41.177 26.606 -25.952 1.00 32.54 N ATOM 1456 CA ARG A 88 -42.015 26.931 -24.804 1.00 15.05 C ATOM 1457 C ARG A 88 -41.465 28.141 -24.054 1.00 14.22 C ATOM 1458 O ARG A 88 -40.272 28.441 -24.101 1.00 41.41 O ATOM 1459 CB ARG A 88 -42.111 25.732 -23.859 1.00 20.03 C ATOM 1460 CG ARG A 88 -42.790 24.521 -24.478 1.00 20.34 C ATOM 1461 CD ARG A 88 -44.184 24.861 -24.980 1.00 51.12 C ATOM 1462 NE ARG A 88 -44.267 24.815 -26.438 1.00 12.14 N ATOM 1463 CZ ARG A 88 -45.352 25.157 -27.123 1.00 64.14 C ATOM 1464 NH1 ARG A 88 -46.439 25.569 -26.487 1.00 54.01 N ATOM 1465 NH2 ARG A 88 -45.350 25.089 -28.449 1.00 4.24 N ATOM 0 H ARG A 88 -40.250 26.254 -25.712 1.00 32.54 H new ATOM 0 HA ARG A 88 -43.012 27.175 -25.172 1.00 15.05 H new ATOM 0 HB2 ARG A 88 -41.108 25.451 -23.539 1.00 20.03 H new ATOM 0 HB3 ARG A 88 -42.660 26.028 -22.965 1.00 20.03 H new ATOM 0 HG2 ARG A 88 -42.186 24.146 -25.304 1.00 20.34 H new ATOM 0 HG3 ARG A 88 -42.853 23.721 -23.740 1.00 20.34 H new ATOM 0 HD2 ARG A 88 -44.903 24.162 -24.554 1.00 51.12 H new ATOM 0 HD3 ARG A 88 -44.462 25.856 -24.632 1.00 51.12 H new ATOM 0 HE ARG A 88 -43.447 24.503 -26.958 1.00 12.14 H new ATOM 0 HH11 ARG A 88 -46.444 25.624 -25.469 1.00 54.01 H new ATOM 0 HH12 ARG A 88 -47.271 25.831 -27.016 1.00 54.01 H new ATOM 0 HH21 ARG A 88 -44.515 24.774 -28.942 1.00 4.24 H new ATOM 0 HH22 ARG A 88 -46.184 25.352 -28.974 1.00 4.24 H new ATOM 1479 N PRO A 89 -42.355 28.853 -23.346 1.00 3.21 N ATOM 1480 CA PRO A 89 -41.981 30.042 -22.574 1.00 2.05 C ATOM 1481 C PRO A 89 -41.137 29.696 -21.351 1.00 12.33 C ATOM 1482 O PRO A 89 -40.701 28.557 -21.188 1.00 51.51 O ATOM 1483 CB PRO A 89 -43.329 30.624 -22.145 1.00 14.14 C ATOM 1484 CG PRO A 89 -44.261 29.461 -22.142 1.00 51.34 C ATOM 1485 CD PRO A 89 -43.792 28.554 -23.245 1.00 74.43 C ATOM 0 HA PRO A 89 -41.370 30.731 -23.156 1.00 2.05 H new ATOM 0 HB2 PRO A 89 -43.266 31.083 -21.158 1.00 14.14 H new ATOM 0 HB3 PRO A 89 -43.664 31.398 -22.836 1.00 14.14 H new ATOM 0 HG2 PRO A 89 -44.243 28.948 -21.180 1.00 51.34 H new ATOM 0 HG3 PRO A 89 -45.288 29.783 -22.312 1.00 51.34 H new ATOM 0 HD2 PRO A 89 -43.968 27.505 -23.005 1.00 74.43 H new ATOM 0 HD3 PRO A 89 -44.312 28.758 -24.181 1.00 74.43 H new ATOM 1493 N GLU A 90 -40.911 30.688 -20.494 1.00 44.13 N ATOM 1494 CA GLU A 90 -40.119 30.487 -19.287 1.00 63.43 C ATOM 1495 C GLU A 90 -40.959 29.849 -18.185 1.00 1.44 C ATOM 1496 O GLU A 90 -40.428 29.211 -17.276 1.00 10.25 O ATOM 1497 CB GLU A 90 -39.544 31.819 -18.800 1.00 22.15 C ATOM 1498 CG GLU A 90 -38.836 31.723 -17.459 1.00 33.44 C ATOM 1499 CD GLU A 90 -38.013 32.957 -17.143 1.00 62.45 C ATOM 1500 OE1 GLU A 90 -38.592 33.943 -16.643 1.00 10.11 O ATOM 1501 OE2 GLU A 90 -36.791 32.935 -17.398 1.00 13.41 O ATOM 0 H GLU A 90 -41.265 31.637 -20.614 1.00 44.13 H new ATOM 0 HA GLU A 90 -39.298 29.813 -19.530 1.00 63.43 H new ATOM 0 HB2 GLU A 90 -38.843 32.197 -19.545 1.00 22.15 H new ATOM 0 HB3 GLU A 90 -40.351 32.547 -18.724 1.00 22.15 H new ATOM 0 HG2 GLU A 90 -39.575 31.573 -16.672 1.00 33.44 H new ATOM 0 HG3 GLU A 90 -38.186 30.848 -17.457 1.00 33.44 H new ATOM 1508 N SER A 91 -42.273 30.028 -18.272 1.00 75.12 N ATOM 1509 CA SER A 91 -43.188 29.474 -17.279 1.00 51.55 C ATOM 1510 C SER A 91 -43.341 27.968 -17.464 1.00 71.42 C ATOM 1511 O SER A 91 -43.216 27.197 -16.512 1.00 4.24 O ATOM 1512 CB SER A 91 -44.555 30.154 -17.381 1.00 30.23 C ATOM 1513 OG SER A 91 -44.904 30.401 -18.731 1.00 21.21 O ATOM 0 H SER A 91 -42.728 30.552 -19.019 1.00 75.12 H new ATOM 0 HA SER A 91 -42.770 29.660 -16.290 1.00 51.55 H new ATOM 0 HB2 SER A 91 -45.313 29.524 -16.916 1.00 30.23 H new ATOM 0 HB3 SER A 91 -44.539 31.094 -16.829 1.00 30.23 H new ATOM 0 HG SER A 91 -45.782 30.834 -18.768 1.00 21.21 H new ATOM 1519 N THR A 92 -43.614 27.553 -18.697 1.00 33.23 N ATOM 1520 CA THR A 92 -43.787 26.139 -19.008 1.00 3.22 C ATOM 1521 C THR A 92 -42.611 25.317 -18.495 1.00 62.11 C ATOM 1522 O THR A 92 -42.797 24.315 -17.803 1.00 12.43 O ATOM 1523 CB THR A 92 -43.936 25.912 -20.524 1.00 44.20 C ATOM 1524 OG1 THR A 92 -44.953 26.770 -21.050 1.00 50.15 O ATOM 1525 CG2 THR A 92 -44.285 24.461 -20.821 1.00 54.31 C ATOM 0 H THR A 92 -43.720 28.176 -19.497 1.00 33.23 H new ATOM 0 HA THR A 92 -44.700 25.814 -18.509 1.00 3.22 H new ATOM 0 HB THR A 92 -42.984 26.145 -21.000 1.00 44.20 H new ATOM 0 HG1 THR A 92 -45.344 26.362 -21.851 1.00 50.15 H new ATOM 0 HG21 THR A 92 -44.385 24.324 -21.898 1.00 54.31 H new ATOM 0 HG22 THR A 92 -43.494 23.812 -20.445 1.00 54.31 H new ATOM 0 HG23 THR A 92 -45.226 24.206 -20.334 1.00 54.31 H new ATOM 1533 N ILE A 93 -41.400 25.745 -18.838 1.00 13.11 N ATOM 1534 CA ILE A 93 -40.195 25.047 -18.409 1.00 41.22 C ATOM 1535 C ILE A 93 -40.095 25.005 -16.889 1.00 32.54 C ATOM 1536 O ILE A 93 -39.831 23.954 -16.303 1.00 3.13 O ATOM 1537 CB ILE A 93 -38.928 25.715 -18.977 1.00 65.44 C ATOM 1538 CG1 ILE A 93 -38.953 25.689 -20.506 1.00 40.01 C ATOM 1539 CG2 ILE A 93 -37.681 25.018 -18.450 1.00 54.42 C ATOM 1540 CD1 ILE A 93 -38.846 24.297 -21.089 1.00 53.02 C ATOM 0 H ILE A 93 -41.228 26.571 -19.411 1.00 13.11 H new ATOM 0 HA ILE A 93 -40.265 24.029 -18.793 1.00 41.22 H new ATOM 0 HB ILE A 93 -38.905 26.755 -18.651 1.00 65.44 H new ATOM 0 HG12 ILE A 93 -39.878 26.150 -20.854 1.00 40.01 H new ATOM 0 HG13 ILE A 93 -38.132 26.297 -20.885 1.00 40.01 H new ATOM 0 HG21 ILE A 93 -36.794 25.501 -18.860 1.00 54.42 H new ATOM 0 HG22 ILE A 93 -37.660 25.083 -17.362 1.00 54.42 H new ATOM 0 HG23 ILE A 93 -37.695 23.970 -18.750 1.00 54.42 H new ATOM 0 HD11 ILE A 93 -38.870 24.355 -22.177 1.00 53.02 H new ATOM 0 HD12 ILE A 93 -37.909 23.840 -20.771 1.00 53.02 H new ATOM 0 HD13 ILE A 93 -39.682 23.691 -20.739 1.00 53.02 H new ATOM 1552 N TYR A 94 -40.310 26.151 -16.255 1.00 12.34 N ATOM 1553 CA TYR A 94 -40.244 26.245 -14.800 1.00 74.04 C ATOM 1554 C TYR A 94 -41.203 25.256 -14.146 1.00 73.45 C ATOM 1555 O TYR A 94 -40.860 24.598 -13.164 1.00 64.21 O ATOM 1556 CB TYR A 94 -40.573 27.668 -14.345 1.00 53.53 C ATOM 1557 CG TYR A 94 -39.357 28.470 -13.940 1.00 14.20 C ATOM 1558 CD1 TYR A 94 -38.212 28.476 -14.726 1.00 5.23 C ATOM 1559 CD2 TYR A 94 -39.354 29.222 -12.773 1.00 15.34 C ATOM 1560 CE1 TYR A 94 -37.097 29.207 -14.359 1.00 72.33 C ATOM 1561 CE2 TYR A 94 -38.246 29.958 -12.399 1.00 32.45 C ATOM 1562 CZ TYR A 94 -37.120 29.947 -13.196 1.00 32.42 C ATOM 1563 OH TYR A 94 -36.014 30.677 -12.826 1.00 20.51 O ATOM 0 H TYR A 94 -40.532 27.029 -16.725 1.00 12.34 H new ATOM 0 HA TYR A 94 -39.229 25.997 -14.491 1.00 74.04 H new ATOM 0 HB2 TYR A 94 -41.089 28.188 -15.152 1.00 53.53 H new ATOM 0 HB3 TYR A 94 -41.264 27.621 -13.503 1.00 53.53 H new ATOM 0 HD1 TYR A 94 -38.192 27.900 -15.639 1.00 5.23 H new ATOM 0 HD2 TYR A 94 -40.233 29.232 -12.146 1.00 15.34 H new ATOM 0 HE1 TYR A 94 -36.213 29.198 -14.980 1.00 72.33 H new ATOM 0 HE2 TYR A 94 -38.261 30.538 -11.488 1.00 32.45 H new ATOM 0 HH TYR A 94 -36.196 31.142 -11.983 1.00 20.51 H new