USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -81:sc= 0.762 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.45 F(o=-2.7!,f=-1.5) 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 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 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 13:sc= -0.251 USER MOD Single : A 68 THR OG1 : rot 69:sc= 1.15 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= -0.285 X(o=-0.29,f=-0.29) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.969 4.073 -3.752 1.00 62.43 N ATOM 178 CA LYS A 13 -1.173 4.451 -5.146 1.00 33.22 C ATOM 179 C LYS A 13 -1.343 3.215 -6.024 1.00 54.24 C ATOM 180 O LYS A 13 -2.057 3.248 -7.027 1.00 52.33 O ATOM 181 CB LYS A 13 0.007 5.287 -5.647 1.00 34.03 C ATOM 182 CG LYS A 13 -0.256 6.783 -5.626 1.00 14.20 C ATOM 183 CD LYS A 13 1.037 7.575 -5.535 1.00 25.14 C ATOM 184 CE LYS A 13 1.013 8.788 -6.451 1.00 63.11 C ATOM 185 NZ LYS A 13 1.428 8.443 -7.839 1.00 41.34 N ATOM 0 HA LYS A 13 -2.084 5.047 -5.206 1.00 33.22 H new ATOM 0 HB2 LYS A 13 0.881 5.071 -5.033 1.00 34.03 H new ATOM 0 HB3 LYS A 13 0.250 4.983 -6.665 1.00 34.03 H new ATOM 0 HG2 LYS A 13 -0.797 7.071 -6.527 1.00 14.20 H new ATOM 0 HG3 LYS A 13 -0.895 7.029 -4.778 1.00 14.20 H new ATOM 0 HD2 LYS A 13 1.195 7.898 -4.506 1.00 25.14 H new ATOM 0 HD3 LYS A 13 1.877 6.934 -5.801 1.00 25.14 H new ATOM 0 HE2 LYS A 13 0.009 9.211 -6.467 1.00 63.11 H new ATOM 0 HE3 LYS A 13 1.677 9.556 -6.054 1.00 63.11 H new ATOM 0 HZ1 LYS A 13 1.398 9.297 -8.432 1.00 41.34 H new ATOM 0 HZ2 LYS A 13 2.396 8.063 -7.828 1.00 41.34 H new ATOM 0 HZ3 LYS A 13 0.780 7.729 -8.228 1.00 41.34 H new ATOM 199 N LEU A 14 -0.686 2.127 -5.641 1.00 64.21 N ATOM 200 CA LEU A 14 -0.765 0.879 -6.393 1.00 50.45 C ATOM 201 C LEU A 14 -2.125 0.216 -6.204 1.00 54.52 C ATOM 202 O LEU A 14 -2.821 -0.084 -7.175 1.00 10.14 O ATOM 203 CB LEU A 14 0.346 -0.075 -5.956 1.00 34.23 C ATOM 204 CG LEU A 14 1.535 -0.204 -6.908 1.00 42.31 C ATOM 205 CD1 LEU A 14 2.069 1.170 -7.283 1.00 3.14 C ATOM 206 CD2 LEU A 14 2.633 -1.051 -6.280 1.00 53.10 C ATOM 0 H LEU A 14 -0.092 2.083 -4.813 1.00 64.21 H new ATOM 0 HA LEU A 14 -0.638 1.112 -7.450 1.00 50.45 H new ATOM 0 HB2 LEU A 14 0.718 0.253 -4.985 1.00 34.23 H new ATOM 0 HB3 LEU A 14 -0.088 -1.065 -5.813 1.00 34.23 H new ATOM 0 HG LEU A 14 1.196 -0.701 -7.817 1.00 42.31 H new ATOM 0 HD11 LEU A 14 2.915 1.059 -7.961 1.00 3.14 H new ATOM 0 HD12 LEU A 14 1.283 1.744 -7.774 1.00 3.14 H new ATOM 0 HD13 LEU A 14 2.392 1.693 -6.383 1.00 3.14 H new ATOM 0 HD21 LEU A 14 3.471 -1.132 -6.972 1.00 53.10 H new ATOM 0 HD22 LEU A 14 2.970 -0.583 -5.355 1.00 53.10 H new ATOM 0 HD23 LEU A 14 2.245 -2.046 -6.062 1.00 53.10 H new ATOM 218 N TYR A 15 -2.500 -0.008 -4.950 1.00 63.41 N ATOM 219 CA TYR A 15 -3.777 -0.636 -4.633 1.00 43.21 C ATOM 220 C TYR A 15 -4.939 0.186 -5.182 1.00 32.25 C ATOM 221 O TYR A 15 -5.808 -0.334 -5.881 1.00 54.15 O ATOM 222 CB TYR A 15 -3.926 -0.804 -3.120 1.00 4.41 C ATOM 223 CG TYR A 15 -5.264 -1.371 -2.702 1.00 62.42 C ATOM 224 CD1 TYR A 15 -6.368 -0.547 -2.534 1.00 2.42 C ATOM 225 CD2 TYR A 15 -5.422 -2.733 -2.477 1.00 64.35 C ATOM 226 CE1 TYR A 15 -7.593 -1.062 -2.152 1.00 24.41 C ATOM 227 CE2 TYR A 15 -6.642 -3.257 -2.096 1.00 22.01 C ATOM 228 CZ TYR A 15 -7.724 -2.417 -1.934 1.00 30.51 C ATOM 229 OH TYR A 15 -8.941 -2.934 -1.555 1.00 32.41 O ATOM 0 H TYR A 15 -1.937 0.236 -4.135 1.00 63.41 H new ATOM 0 HA TYR A 15 -3.796 -1.619 -5.104 1.00 43.21 H new ATOM 0 HB2 TYR A 15 -3.134 -1.458 -2.756 1.00 4.41 H new ATOM 0 HB3 TYR A 15 -3.785 0.164 -2.640 1.00 4.41 H new ATOM 0 HD1 TYR A 15 -6.269 0.515 -2.705 1.00 2.42 H new ATOM 0 HD2 TYR A 15 -4.577 -3.393 -2.602 1.00 64.35 H new ATOM 0 HE1 TYR A 15 -8.442 -0.407 -2.025 1.00 24.41 H new ATOM 0 HE2 TYR A 15 -6.748 -4.318 -1.926 1.00 22.01 H new ATOM 0 HH TYR A 15 -8.864 -3.905 -1.443 1.00 32.41 H new ATOM 239 N LYS A 16 -4.947 1.475 -4.860 1.00 61.42 N ATOM 240 CA LYS A 16 -5.999 2.373 -5.321 1.00 35.33 C ATOM 241 C LYS A 16 -6.043 2.423 -6.845 1.00 12.31 C ATOM 242 O LYS A 16 -7.053 2.811 -7.433 1.00 62.43 O ATOM 243 CB LYS A 16 -5.781 3.779 -4.759 1.00 0.11 C ATOM 244 CG LYS A 16 -4.750 4.588 -5.528 1.00 73.03 C ATOM 245 CD LYS A 16 -5.407 5.505 -6.545 1.00 42.14 C ATOM 246 CE LYS A 16 -5.243 6.968 -6.164 1.00 41.33 C ATOM 247 NZ LYS A 16 -6.181 7.367 -5.079 1.00 43.42 N ATOM 0 H LYS A 16 -4.236 1.922 -4.281 1.00 61.42 H new ATOM 0 HA LYS A 16 -6.953 1.989 -4.961 1.00 35.33 H new ATOM 0 HB2 LYS A 16 -6.730 4.315 -4.766 1.00 0.11 H new ATOM 0 HB3 LYS A 16 -5.467 3.701 -3.718 1.00 0.11 H new ATOM 0 HG2 LYS A 16 -4.158 5.181 -4.831 1.00 73.03 H new ATOM 0 HG3 LYS A 16 -4.062 3.913 -6.037 1.00 73.03 H new ATOM 0 HD2 LYS A 16 -4.969 5.333 -7.528 1.00 42.14 H new ATOM 0 HD3 LYS A 16 -6.467 5.265 -6.622 1.00 42.14 H new ATOM 0 HE2 LYS A 16 -4.217 7.146 -5.841 1.00 41.33 H new ATOM 0 HE3 LYS A 16 -5.415 7.593 -7.040 1.00 41.33 H new ATOM 0 HZ1 LYS A 16 -6.038 8.371 -4.848 1.00 43.42 H new ATOM 0 HZ2 LYS A 16 -7.161 7.221 -5.396 1.00 43.42 H new ATOM 0 HZ3 LYS A 16 -6.001 6.788 -4.234 1.00 43.42 H new ATOM 261 N ASP A 17 -4.944 2.029 -7.477 1.00 22.02 N ATOM 262 CA ASP A 17 -4.857 2.027 -8.932 1.00 71.22 C ATOM 263 C ASP A 17 -5.386 0.716 -9.506 1.00 42.15 C ATOM 264 O ASP A 17 -5.845 0.666 -10.646 1.00 20.41 O ATOM 265 CB ASP A 17 -3.411 2.248 -9.379 1.00 42.13 C ATOM 266 CG ASP A 17 -3.182 1.838 -10.821 1.00 62.03 C ATOM 267 OD1 ASP A 17 -3.790 2.459 -11.719 1.00 11.13 O ATOM 268 OD2 ASP A 17 -2.393 0.898 -11.051 1.00 53.32 O ATOM 0 H ASP A 17 -4.100 1.706 -7.004 1.00 22.02 H new ATOM 0 HA ASP A 17 -5.473 2.843 -9.309 1.00 71.22 H new ATOM 0 HB2 ASP A 17 -3.153 3.300 -9.258 1.00 42.13 H new ATOM 0 HB3 ASP A 17 -2.743 1.680 -8.732 1.00 42.13 H new ATOM 273 N GLY A 18 -5.315 -0.345 -8.707 1.00 42.54 N ATOM 274 CA GLY A 18 -5.788 -1.642 -9.154 1.00 41.33 C ATOM 275 C GLY A 18 -4.703 -2.700 -9.117 1.00 32.11 C ATOM 276 O GLY A 18 -4.818 -3.741 -9.764 1.00 25.03 O ATOM 0 H GLY A 18 -4.939 -0.329 -7.759 1.00 42.54 H new ATOM 0 HA2 GLY A 18 -6.621 -1.958 -8.525 1.00 41.33 H new ATOM 0 HA3 GLY A 18 -6.171 -1.555 -10.171 1.00 41.33 H new ATOM 280 N VAL A 19 -3.646 -2.433 -8.357 1.00 64.41 N ATOM 281 CA VAL A 19 -2.534 -3.369 -8.237 1.00 74.01 C ATOM 282 C VAL A 19 -2.806 -4.409 -7.156 1.00 22.40 C ATOM 283 O VAL A 19 -3.237 -4.091 -6.048 1.00 21.13 O ATOM 284 CB VAL A 19 -1.217 -2.639 -7.914 1.00 31.32 C ATOM 285 CG1 VAL A 19 -0.067 -3.630 -7.820 1.00 65.32 C ATOM 286 CG2 VAL A 19 -0.929 -1.572 -8.959 1.00 11.34 C ATOM 0 H VAL A 19 -3.536 -1.576 -7.815 1.00 64.41 H new ATOM 0 HA VAL A 19 -2.435 -3.869 -9.201 1.00 74.01 H new ATOM 0 HB VAL A 19 -1.322 -2.148 -6.947 1.00 31.32 H new ATOM 0 HG11 VAL A 19 0.855 -3.096 -7.591 1.00 65.32 H new ATOM 0 HG12 VAL A 19 -0.273 -4.353 -7.031 1.00 65.32 H new ATOM 0 HG13 VAL A 19 0.042 -4.152 -8.771 1.00 65.32 H new ATOM 0 HG21 VAL A 19 0.005 -1.066 -8.715 1.00 11.34 H new ATOM 0 HG22 VAL A 19 -0.844 -2.038 -9.941 1.00 11.34 H new ATOM 0 HG23 VAL A 19 -1.742 -0.846 -8.971 1.00 11.34 H new ATOM 296 N PRO A 20 -2.548 -5.684 -7.483 1.00 62.52 N ATOM 297 CA PRO A 20 -2.755 -6.798 -6.553 1.00 2.21 C ATOM 298 C PRO A 20 -1.754 -6.787 -5.402 1.00 54.52 C ATOM 299 O PRO A 20 -0.613 -6.357 -5.565 1.00 64.51 O ATOM 300 CB PRO A 20 -2.550 -8.035 -7.430 1.00 33.33 C ATOM 301 CG PRO A 20 -1.666 -7.574 -8.536 1.00 21.23 C ATOM 302 CD PRO A 20 -2.031 -6.137 -8.786 1.00 54.13 C ATOM 0 HA PRO A 20 -3.734 -6.755 -6.077 1.00 2.21 H new ATOM 0 HB2 PRO A 20 -2.089 -8.847 -6.867 1.00 33.33 H new ATOM 0 HB3 PRO A 20 -3.499 -8.411 -7.812 1.00 33.33 H new ATOM 0 HG2 PRO A 20 -0.615 -7.668 -8.261 1.00 21.23 H new ATOM 0 HG3 PRO A 20 -1.816 -8.176 -9.432 1.00 21.23 H new ATOM 0 HD2 PRO A 20 -1.167 -5.552 -9.101 1.00 54.13 H new ATOM 0 HD3 PRO A 20 -2.782 -6.044 -9.571 1.00 54.13 H new ATOM 310 N VAL A 21 -2.190 -7.263 -4.241 1.00 23.41 N ATOM 311 CA VAL A 21 -1.330 -7.310 -3.063 1.00 52.22 C ATOM 312 C VAL A 21 0.016 -7.945 -3.391 1.00 31.35 C ATOM 313 O VAL A 21 1.068 -7.424 -3.020 1.00 65.12 O ATOM 314 CB VAL A 21 -1.992 -8.098 -1.917 1.00 44.01 C ATOM 315 CG1 VAL A 21 -1.077 -8.142 -0.702 1.00 75.44 C ATOM 316 CG2 VAL A 21 -3.337 -7.485 -1.558 1.00 12.13 C ATOM 0 H VAL A 21 -3.133 -7.622 -4.090 1.00 23.41 H new ATOM 0 HA VAL A 21 -1.174 -6.280 -2.743 1.00 52.22 H new ATOM 0 HB VAL A 21 -2.162 -9.121 -2.253 1.00 44.01 H new ATOM 0 HG11 VAL A 21 -1.561 -8.703 0.098 1.00 75.44 H new ATOM 0 HG12 VAL A 21 -0.139 -8.629 -0.970 1.00 75.44 H new ATOM 0 HG13 VAL A 21 -0.875 -7.126 -0.362 1.00 75.44 H new ATOM 0 HG21 VAL A 21 -3.791 -8.054 -0.747 1.00 12.13 H new ATOM 0 HG22 VAL A 21 -3.193 -6.452 -1.241 1.00 12.13 H new ATOM 0 HG23 VAL A 21 -3.992 -7.509 -2.429 1.00 12.13 H new ATOM 326 N LYS A 22 -0.023 -9.076 -4.089 1.00 23.14 N ATOM 327 CA LYS A 22 1.194 -9.783 -4.469 1.00 14.25 C ATOM 328 C LYS A 22 2.165 -8.850 -5.185 1.00 50.11 C ATOM 329 O LYS A 22 3.375 -8.915 -4.970 1.00 13.02 O ATOM 330 CB LYS A 22 0.856 -10.973 -5.369 1.00 73.03 C ATOM 331 CG LYS A 22 0.194 -10.577 -6.678 1.00 73.11 C ATOM 332 CD LYS A 22 -0.839 -11.604 -7.114 1.00 20.13 C ATOM 333 CE LYS A 22 -0.196 -12.752 -7.876 1.00 42.40 C ATOM 334 NZ LYS A 22 -1.157 -13.864 -8.118 1.00 62.21 N ATOM 0 H LYS A 22 -0.885 -9.522 -4.403 1.00 23.14 H new ATOM 0 HA LYS A 22 1.672 -10.147 -3.560 1.00 14.25 H new ATOM 0 HB2 LYS A 22 1.771 -11.525 -5.586 1.00 73.03 H new ATOM 0 HB3 LYS A 22 0.196 -11.651 -4.828 1.00 73.03 H new ATOM 0 HG2 LYS A 22 -0.284 -9.604 -6.565 1.00 73.11 H new ATOM 0 HG3 LYS A 22 0.953 -10.471 -7.453 1.00 73.11 H new ATOM 0 HD2 LYS A 22 -1.359 -11.993 -6.239 1.00 20.13 H new ATOM 0 HD3 LYS A 22 -1.589 -11.123 -7.743 1.00 20.13 H new ATOM 0 HE2 LYS A 22 0.185 -12.387 -8.830 1.00 42.40 H new ATOM 0 HE3 LYS A 22 0.659 -13.127 -7.314 1.00 42.40 H new ATOM 0 HZ1 LYS A 22 -0.681 -14.627 -8.640 1.00 62.21 H new ATOM 0 HZ2 LYS A 22 -1.501 -14.230 -7.207 1.00 62.21 H new ATOM 0 HZ3 LYS A 22 -1.961 -13.513 -8.676 1.00 62.21 H new ATOM 348 N GLU A 23 1.626 -7.981 -6.036 1.00 33.24 N ATOM 349 CA GLU A 23 2.446 -7.035 -6.782 1.00 61.11 C ATOM 350 C GLU A 23 2.868 -5.865 -5.898 1.00 12.10 C ATOM 351 O GLU A 23 4.025 -5.445 -5.917 1.00 32.40 O ATOM 352 CB GLU A 23 1.683 -6.516 -8.003 1.00 34.23 C ATOM 353 CG GLU A 23 2.417 -5.424 -8.760 1.00 44.35 C ATOM 354 CD GLU A 23 3.764 -5.882 -9.287 1.00 4.32 C ATOM 355 OE1 GLU A 23 3.793 -6.544 -10.345 1.00 0.44 O ATOM 356 OE2 GLU A 23 4.788 -5.578 -8.640 1.00 32.32 O ATOM 0 H GLU A 23 0.626 -7.913 -6.225 1.00 33.24 H new ATOM 0 HA GLU A 23 3.342 -7.557 -7.117 1.00 61.11 H new ATOM 0 HB2 GLU A 23 1.489 -7.348 -8.680 1.00 34.23 H new ATOM 0 HB3 GLU A 23 0.714 -6.135 -7.680 1.00 34.23 H new ATOM 0 HG2 GLU A 23 1.800 -5.088 -9.594 1.00 44.35 H new ATOM 0 HG3 GLU A 23 2.561 -4.566 -8.103 1.00 44.35 H new ATOM 363 N ILE A 24 1.921 -5.344 -5.126 1.00 1.21 N ATOM 364 CA ILE A 24 2.194 -4.223 -4.234 1.00 73.34 C ATOM 365 C ILE A 24 3.368 -4.529 -3.310 1.00 31.23 C ATOM 366 O ILE A 24 4.209 -3.668 -3.052 1.00 73.44 O ATOM 367 CB ILE A 24 0.962 -3.870 -3.380 1.00 51.33 C ATOM 368 CG1 ILE A 24 -0.236 -3.559 -4.280 1.00 31.44 C ATOM 369 CG2 ILE A 24 1.269 -2.689 -2.472 1.00 2.10 C ATOM 370 CD1 ILE A 24 -1.571 -3.849 -3.628 1.00 42.34 C ATOM 0 H ILE A 24 0.958 -5.680 -5.100 1.00 1.21 H new ATOM 0 HA ILE A 24 2.444 -3.371 -4.866 1.00 73.34 H new ATOM 0 HB ILE A 24 0.712 -4.728 -2.756 1.00 51.33 H new ATOM 0 HG12 ILE A 24 -0.201 -2.508 -4.568 1.00 31.44 H new ATOM 0 HG13 ILE A 24 -0.153 -4.143 -5.197 1.00 31.44 H new ATOM 0 HG21 ILE A 24 0.389 -2.451 -1.875 1.00 2.10 H new ATOM 0 HG22 ILE A 24 2.098 -2.944 -1.812 1.00 2.10 H new ATOM 0 HG23 ILE A 24 1.540 -1.825 -3.078 1.00 2.10 H new ATOM 0 HD11 ILE A 24 -2.375 -3.606 -4.322 1.00 42.34 H new ATOM 0 HD12 ILE A 24 -1.626 -4.905 -3.365 1.00 42.34 H new ATOM 0 HD13 ILE A 24 -1.674 -3.245 -2.727 1.00 42.34 H new ATOM 382 N ALA A 25 3.419 -5.762 -2.816 1.00 54.13 N ATOM 383 CA ALA A 25 4.492 -6.183 -1.924 1.00 20.30 C ATOM 384 C ALA A 25 5.842 -6.148 -2.633 1.00 11.21 C ATOM 385 O ALA A 25 6.836 -5.687 -2.073 1.00 65.33 O ATOM 386 CB ALA A 25 4.214 -7.579 -1.385 1.00 55.44 C ATOM 0 H ALA A 25 2.730 -6.486 -3.019 1.00 54.13 H new ATOM 0 HA ALA A 25 4.531 -5.484 -1.089 1.00 20.30 H new ATOM 0 HB1 ALA A 25 5.024 -7.880 -0.720 1.00 55.44 H new ATOM 0 HB2 ALA A 25 3.274 -7.575 -0.833 1.00 55.44 H new ATOM 0 HB3 ALA A 25 4.145 -8.282 -2.215 1.00 55.44 H new ATOM 392 N LYS A 26 5.869 -6.637 -3.868 1.00 33.35 N ATOM 393 CA LYS A 26 7.097 -6.662 -4.654 1.00 11.11 C ATOM 394 C LYS A 26 7.505 -5.251 -5.069 1.00 33.12 C ATOM 395 O LYS A 26 8.690 -4.921 -5.094 1.00 43.35 O ATOM 396 CB LYS A 26 6.913 -7.536 -5.897 1.00 63.41 C ATOM 397 CG LYS A 26 6.612 -8.990 -5.577 1.00 1.02 C ATOM 398 CD LYS A 26 7.679 -9.598 -4.683 1.00 1.55 C ATOM 399 CE LYS A 26 9.050 -9.549 -5.339 1.00 4.11 C ATOM 400 NZ LYS A 26 9.921 -10.671 -4.890 1.00 3.52 N ATOM 0 H LYS A 26 5.054 -7.021 -4.346 1.00 33.35 H new ATOM 0 HA LYS A 26 7.888 -7.084 -4.034 1.00 11.11 H new ATOM 0 HB2 LYS A 26 6.101 -7.130 -6.500 1.00 63.41 H new ATOM 0 HB3 LYS A 26 7.817 -7.486 -6.504 1.00 63.41 H new ATOM 0 HG2 LYS A 26 5.641 -9.062 -5.086 1.00 1.02 H new ATOM 0 HG3 LYS A 26 6.544 -9.561 -6.503 1.00 1.02 H new ATOM 0 HD2 LYS A 26 7.709 -9.062 -3.734 1.00 1.55 H new ATOM 0 HD3 LYS A 26 7.420 -10.632 -4.457 1.00 1.55 H new ATOM 0 HE2 LYS A 26 8.936 -9.589 -6.422 1.00 4.11 H new ATOM 0 HE3 LYS A 26 9.531 -8.600 -5.104 1.00 4.11 H new ATOM 0 HZ1 LYS A 26 10.846 -10.602 -5.360 1.00 3.52 H new ATOM 0 HZ2 LYS A 26 10.051 -10.618 -3.860 1.00 3.52 H new ATOM 0 HZ3 LYS A 26 9.474 -11.577 -5.137 1.00 3.52 H new ATOM 414 N ARG A 27 6.515 -4.424 -5.390 1.00 64.33 N ATOM 415 CA ARG A 27 6.773 -3.050 -5.803 1.00 52.54 C ATOM 416 C ARG A 27 7.260 -2.211 -4.625 1.00 50.52 C ATOM 417 O ARG A 27 8.273 -1.519 -4.720 1.00 61.54 O ATOM 418 CB ARG A 27 5.508 -2.428 -6.397 1.00 54.05 C ATOM 419 CG ARG A 27 5.446 -2.506 -7.914 1.00 11.20 C ATOM 420 CD ARG A 27 6.189 -1.349 -8.562 1.00 61.32 C ATOM 421 NE ARG A 27 5.469 -0.811 -9.712 1.00 52.23 N ATOM 422 CZ ARG A 27 5.742 0.366 -10.266 1.00 11.31 C ATOM 423 NH1 ARG A 27 6.714 1.124 -9.775 1.00 54.30 N ATOM 424 NH2 ARG A 27 5.041 0.787 -11.311 1.00 44.40 N ATOM 0 H ARG A 27 5.528 -4.681 -5.372 1.00 64.33 H new ATOM 0 HA ARG A 27 7.554 -3.066 -6.563 1.00 52.54 H new ATOM 0 HB2 ARG A 27 4.636 -2.931 -5.980 1.00 54.05 H new ATOM 0 HB3 ARG A 27 5.450 -1.383 -6.093 1.00 54.05 H new ATOM 0 HG2 ARG A 27 5.877 -3.450 -8.249 1.00 11.20 H new ATOM 0 HG3 ARG A 27 4.405 -2.498 -8.238 1.00 11.20 H new ATOM 0 HD2 ARG A 27 6.340 -0.558 -7.827 1.00 61.32 H new ATOM 0 HD3 ARG A 27 7.177 -1.684 -8.878 1.00 61.32 H new ATOM 0 HE ARG A 27 4.715 -1.369 -10.113 1.00 52.23 H new ATOM 0 HH11 ARG A 27 7.254 0.804 -8.971 1.00 54.30 H new ATOM 0 HH12 ARG A 27 6.922 2.027 -10.202 1.00 54.30 H new ATOM 0 HH21 ARG A 27 4.292 0.207 -11.690 1.00 44.40 H new ATOM 0 HH22 ARG A 27 5.251 1.690 -11.736 1.00 44.40 H new ATOM 438 N SER A 28 6.529 -2.277 -3.517 1.00 4.20 N ATOM 439 CA SER A 28 6.884 -1.520 -2.322 1.00 25.30 C ATOM 440 C SER A 28 7.970 -2.238 -1.526 1.00 55.34 C ATOM 441 O SER A 28 8.438 -1.739 -0.504 1.00 33.41 O ATOM 442 CB SER A 28 5.650 -1.305 -1.444 1.00 64.01 C ATOM 443 OG SER A 28 5.231 -2.519 -0.847 1.00 32.53 O ATOM 0 H SER A 28 5.688 -2.846 -3.422 1.00 4.20 H new ATOM 0 HA SER A 28 7.270 -0.551 -2.637 1.00 25.30 H new ATOM 0 HB2 SER A 28 5.875 -0.573 -0.668 1.00 64.01 H new ATOM 0 HB3 SER A 28 4.839 -0.893 -2.045 1.00 64.01 H new ATOM 0 HG SER A 28 4.704 -3.036 -1.492 1.00 32.53 H new ATOM 449 N ASN A 29 8.364 -3.414 -2.004 1.00 23.43 N ATOM 450 CA ASN A 29 9.394 -4.203 -1.337 1.00 63.54 C ATOM 451 C ASN A 29 9.007 -4.491 0.109 1.00 22.45 C ATOM 452 O ASN A 29 9.857 -4.503 1.000 1.00 61.31 O ATOM 453 CB ASN A 29 10.736 -3.469 -1.382 1.00 22.35 C ATOM 454 CG ASN A 29 11.405 -3.568 -2.740 1.00 34.21 C ATOM 455 OD1 ASN A 29 12.023 -4.581 -3.068 1.00 31.45 O ATOM 456 ND2 ASN A 29 11.283 -2.513 -3.537 1.00 73.13 N ATOM 0 H ASN A 29 7.986 -3.841 -2.850 1.00 23.43 H new ATOM 0 HA ASN A 29 9.489 -5.152 -1.864 1.00 63.54 H new ATOM 0 HB2 ASN A 29 10.581 -2.419 -1.132 1.00 22.35 H new ATOM 0 HB3 ASN A 29 11.399 -3.883 -0.622 1.00 22.35 H new ATOM 0 HD21 ASN A 29 11.711 -2.521 -4.463 1.00 73.13 H new ATOM 0 HD22 ASN A 29 10.761 -1.695 -3.223 1.00 73.13 H new ATOM 463 N ASN A 30 7.719 -4.724 0.337 1.00 1.43 N ATOM 464 CA ASN A 30 7.219 -5.013 1.676 1.00 3.43 C ATOM 465 C ASN A 30 6.629 -6.418 1.745 1.00 2.32 C ATOM 466 O ASN A 30 6.549 -7.119 0.736 1.00 23.55 O ATOM 467 CB ASN A 30 6.162 -3.984 2.081 1.00 10.32 C ATOM 468 CG ASN A 30 6.741 -2.858 2.916 1.00 44.00 C ATOM 469 OD1 ASN A 30 7.444 -3.215 3.985 1.00 35.25 O flip ATOM 470 ND2 ASN A 30 6.559 -1.680 2.603 1.00 72.11 N flip ATOM 0 H ASN A 30 7.002 -4.718 -0.388 1.00 1.43 H new ATOM 0 HA ASN A 30 8.058 -4.956 2.370 1.00 3.43 H new ATOM 0 HB2 ASN A 30 5.702 -3.568 1.185 1.00 10.32 H new ATOM 0 HB3 ASN A 30 5.372 -4.481 2.644 1.00 10.32 H new ATOM 0 HD21 ASN A 30 6.012 -1.452 1.773 1.00 72.11 H new ATOM 0 HD22 ASN A 30 6.955 -0.934 3.174 1.00 72.11 H new ATOM 477 N SER A 31 6.216 -6.823 2.943 1.00 43.03 N ATOM 478 CA SER A 31 5.636 -8.146 3.144 1.00 5.52 C ATOM 479 C SER A 31 4.117 -8.098 3.007 1.00 34.50 C ATOM 480 O SER A 31 3.501 -7.043 3.153 1.00 61.32 O ATOM 481 CB SER A 31 6.019 -8.687 4.523 1.00 33.35 C ATOM 482 OG SER A 31 6.183 -10.095 4.489 1.00 22.30 O ATOM 0 H SER A 31 6.272 -6.254 3.788 1.00 43.03 H new ATOM 0 HA SER A 31 6.032 -8.812 2.377 1.00 5.52 H new ATOM 0 HB2 SER A 31 6.944 -8.218 4.858 1.00 33.35 H new ATOM 0 HB3 SER A 31 5.248 -8.424 5.248 1.00 33.35 H new ATOM 0 HG SER A 31 6.429 -10.417 5.381 1.00 22.30 H new ATOM 488 N MET A 32 3.519 -9.252 2.726 1.00 24.40 N ATOM 489 CA MET A 32 2.072 -9.345 2.569 1.00 24.04 C ATOM 490 C MET A 32 1.357 -8.796 3.801 1.00 60.13 C ATOM 491 O MET A 32 0.274 -8.222 3.695 1.00 52.40 O ATOM 492 CB MET A 32 1.656 -10.797 2.328 1.00 64.21 C ATOM 493 CG MET A 32 1.121 -11.050 0.928 1.00 22.22 C ATOM 494 SD MET A 32 0.474 -12.721 0.724 1.00 65.23 S ATOM 495 CE MET A 32 -1.165 -12.537 1.421 1.00 53.33 C ATOM 0 H MET A 32 4.014 -10.135 2.602 1.00 24.40 H new ATOM 0 HA MET A 32 1.785 -8.745 1.705 1.00 24.04 H new ATOM 0 HB2 MET A 32 2.514 -11.446 2.503 1.00 64.21 H new ATOM 0 HB3 MET A 32 0.893 -11.074 3.055 1.00 64.21 H new ATOM 0 HG2 MET A 32 0.333 -10.330 0.709 1.00 22.22 H new ATOM 0 HG3 MET A 32 1.917 -10.882 0.203 1.00 22.22 H new ATOM 0 HE1 MET A 32 -1.692 -13.489 1.367 1.00 53.33 H new ATOM 0 HE2 MET A 32 -1.085 -12.225 2.462 1.00 53.33 H new ATOM 0 HE3 MET A 32 -1.717 -11.784 0.858 1.00 53.33 H new ATOM 505 N SER A 33 1.970 -8.978 4.965 1.00 11.24 N ATOM 506 CA SER A 33 1.388 -8.505 6.217 1.00 63.23 C ATOM 507 C SER A 33 1.620 -7.006 6.391 1.00 74.00 C ATOM 508 O SER A 33 0.902 -6.337 7.136 1.00 72.24 O ATOM 509 CB SER A 33 1.988 -9.265 7.401 1.00 1.43 C ATOM 510 OG SER A 33 1.566 -10.618 7.405 1.00 62.14 O ATOM 0 H SER A 33 2.869 -9.449 5.069 1.00 11.24 H new ATOM 0 HA SER A 33 0.314 -8.688 6.183 1.00 63.23 H new ATOM 0 HB2 SER A 33 3.076 -9.220 7.352 1.00 1.43 H new ATOM 0 HB3 SER A 33 1.691 -8.785 8.333 1.00 1.43 H new ATOM 0 HG SER A 33 1.964 -11.083 8.170 1.00 62.14 H new ATOM 516 N THR A 34 2.627 -6.485 5.697 1.00 3.34 N ATOM 517 CA THR A 34 2.954 -5.066 5.774 1.00 34.12 C ATOM 518 C THR A 34 2.091 -4.251 4.819 1.00 45.22 C ATOM 519 O THR A 34 1.484 -3.255 5.212 1.00 14.11 O ATOM 520 CB THR A 34 4.438 -4.815 5.451 1.00 65.33 C ATOM 521 OG1 THR A 34 5.266 -5.671 6.246 1.00 60.00 O ATOM 522 CG2 THR A 34 4.809 -3.362 5.708 1.00 72.20 C ATOM 0 H THR A 34 3.230 -7.024 5.076 1.00 3.34 H new ATOM 0 HA THR A 34 2.754 -4.749 6.798 1.00 34.12 H new ATOM 0 HB THR A 34 4.598 -5.034 4.395 1.00 65.33 H new ATOM 0 HG1 THR A 34 6.208 -5.505 6.032 1.00 60.00 H new ATOM 0 HG21 THR A 34 5.862 -3.208 5.473 1.00 72.20 H new ATOM 0 HG22 THR A 34 4.198 -2.714 5.079 1.00 72.20 H new ATOM 0 HG23 THR A 34 4.632 -3.121 6.756 1.00 72.20 H new ATOM 530 N VAL A 35 2.042 -4.678 3.561 1.00 32.35 N ATOM 531 CA VAL A 35 1.252 -3.988 2.549 1.00 2.10 C ATOM 532 C VAL A 35 -0.229 -3.999 2.907 1.00 55.34 C ATOM 533 O VAL A 35 -0.863 -2.948 3.008 1.00 71.41 O ATOM 534 CB VAL A 35 1.439 -4.625 1.159 1.00 12.53 C ATOM 535 CG1 VAL A 35 0.317 -4.204 0.223 1.00 15.30 C ATOM 536 CG2 VAL A 35 2.795 -4.252 0.581 1.00 52.23 C ATOM 0 H VAL A 35 2.541 -5.499 3.219 1.00 32.35 H new ATOM 0 HA VAL A 35 1.607 -2.958 2.518 1.00 2.10 H new ATOM 0 HB VAL A 35 1.401 -5.709 1.267 1.00 12.53 H new ATOM 0 HG11 VAL A 35 0.466 -4.664 -0.754 1.00 15.30 H new ATOM 0 HG12 VAL A 35 -0.640 -4.527 0.634 1.00 15.30 H new ATOM 0 HG13 VAL A 35 0.319 -3.119 0.117 1.00 15.30 H new ATOM 0 HG21 VAL A 35 2.910 -4.710 -0.401 1.00 52.23 H new ATOM 0 HG22 VAL A 35 2.864 -3.168 0.486 1.00 52.23 H new ATOM 0 HG23 VAL A 35 3.584 -4.609 1.243 1.00 52.23 H new ATOM 546 N TYR A 36 -0.778 -5.195 3.096 1.00 43.45 N ATOM 547 CA TYR A 36 -2.186 -5.344 3.440 1.00 43.20 C ATOM 548 C TYR A 36 -2.548 -4.478 4.644 1.00 60.25 C ATOM 549 O TYR A 36 -3.608 -3.854 4.679 1.00 15.44 O ATOM 550 CB TYR A 36 -2.508 -6.809 3.738 1.00 43.00 C ATOM 551 CG TYR A 36 -3.976 -7.146 3.606 1.00 2.43 C ATOM 552 CD1 TYR A 36 -4.509 -7.554 2.389 1.00 32.23 C ATOM 553 CD2 TYR A 36 -4.830 -7.054 4.698 1.00 13.22 C ATOM 554 CE1 TYR A 36 -5.850 -7.863 2.264 1.00 5.24 C ATOM 555 CE2 TYR A 36 -6.173 -7.361 4.582 1.00 61.23 C ATOM 556 CZ TYR A 36 -6.677 -7.764 3.363 1.00 14.13 C ATOM 557 OH TYR A 36 -8.014 -8.070 3.244 1.00 63.13 O ATOM 0 H TYR A 36 -0.268 -6.075 3.016 1.00 43.45 H new ATOM 0 HA TYR A 36 -2.778 -5.015 2.586 1.00 43.20 H new ATOM 0 HB2 TYR A 36 -1.936 -7.443 3.060 1.00 43.00 H new ATOM 0 HB3 TYR A 36 -2.179 -7.046 4.750 1.00 43.00 H new ATOM 0 HD1 TYR A 36 -3.864 -7.631 1.526 1.00 32.23 H new ATOM 0 HD2 TYR A 36 -4.438 -6.737 5.653 1.00 13.22 H new ATOM 0 HE1 TYR A 36 -6.248 -8.180 1.311 1.00 5.24 H new ATOM 0 HE2 TYR A 36 -6.824 -7.286 5.441 1.00 61.23 H new ATOM 0 HH TYR A 36 -8.456 -7.950 4.111 1.00 63.13 H new ATOM 567 N LYS A 37 -1.657 -4.444 5.629 1.00 4.01 N ATOM 568 CA LYS A 37 -1.878 -3.654 6.834 1.00 70.22 C ATOM 569 C LYS A 37 -2.015 -2.173 6.497 1.00 71.52 C ATOM 570 O LYS A 37 -2.710 -1.431 7.190 1.00 24.43 O ATOM 571 CB LYS A 37 -0.727 -3.859 7.821 1.00 44.03 C ATOM 572 CG LYS A 37 -1.014 -4.906 8.883 1.00 10.11 C ATOM 573 CD LYS A 37 0.142 -5.043 9.860 1.00 64.22 C ATOM 574 CE LYS A 37 -0.322 -4.882 11.300 1.00 72.44 C ATOM 575 NZ LYS A 37 0.768 -5.179 12.270 1.00 71.42 N ATOM 0 H LYS A 37 -0.774 -4.955 5.616 1.00 4.01 H new ATOM 0 HA LYS A 37 -2.807 -3.991 7.293 1.00 70.22 H new ATOM 0 HB2 LYS A 37 0.166 -4.150 7.269 1.00 44.03 H new ATOM 0 HB3 LYS A 37 -0.505 -2.910 8.309 1.00 44.03 H new ATOM 0 HG2 LYS A 37 -1.920 -4.636 9.426 1.00 10.11 H new ATOM 0 HG3 LYS A 37 -1.203 -5.867 8.405 1.00 10.11 H new ATOM 0 HD2 LYS A 37 0.612 -6.019 9.735 1.00 64.22 H new ATOM 0 HD3 LYS A 37 0.900 -4.293 9.635 1.00 64.22 H new ATOM 0 HE2 LYS A 37 -0.679 -3.864 11.455 1.00 72.44 H new ATOM 0 HE3 LYS A 37 -1.165 -5.547 11.486 1.00 72.44 H new ATOM 0 HZ1 LYS A 37 0.412 -5.058 13.240 1.00 71.42 H new ATOM 0 HZ2 LYS A 37 1.091 -6.159 12.140 1.00 71.42 H new ATOM 0 HZ3 LYS A 37 1.563 -4.528 12.109 1.00 71.42 H new ATOM 589 N ALA A 38 -1.350 -1.751 5.427 1.00 24.32 N ATOM 590 CA ALA A 38 -1.400 -0.359 4.996 1.00 71.14 C ATOM 591 C ALA A 38 -2.706 -0.057 4.270 1.00 13.43 C ATOM 592 O ALA A 38 -3.337 0.975 4.509 1.00 20.31 O ATOM 593 CB ALA A 38 -0.212 -0.040 4.102 1.00 62.44 C ATOM 0 H ALA A 38 -0.770 -2.353 4.842 1.00 24.32 H new ATOM 0 HA ALA A 38 -1.352 0.272 5.883 1.00 71.14 H new ATOM 0 HB1 ALA A 38 -0.263 1.003 3.788 1.00 62.44 H new ATOM 0 HB2 ALA A 38 0.713 -0.209 4.653 1.00 62.44 H new ATOM 0 HB3 ALA A 38 -0.234 -0.685 3.224 1.00 62.44 H new ATOM 599 N LEU A 39 -3.108 -0.960 3.383 1.00 42.21 N ATOM 600 CA LEU A 39 -4.341 -0.789 2.621 1.00 21.02 C ATOM 601 C LEU A 39 -5.531 -0.583 3.552 1.00 34.12 C ATOM 602 O LEU A 39 -6.313 0.351 3.377 1.00 42.23 O ATOM 603 CB LEU A 39 -4.583 -2.006 1.726 1.00 45.02 C ATOM 604 CG LEU A 39 -3.407 -2.440 0.851 1.00 43.54 C ATOM 605 CD1 LEU A 39 -3.755 -3.701 0.075 1.00 4.01 C ATOM 606 CD2 LEU A 39 -3.009 -1.320 -0.100 1.00 44.20 C ATOM 0 H LEU A 39 -2.599 -1.818 3.173 1.00 42.21 H new ATOM 0 HA LEU A 39 -4.234 0.098 1.996 1.00 21.02 H new ATOM 0 HB2 LEU A 39 -4.869 -2.846 2.359 1.00 45.02 H new ATOM 0 HB3 LEU A 39 -5.433 -1.792 1.078 1.00 45.02 H new ATOM 0 HG LEU A 39 -2.558 -2.660 1.499 1.00 43.54 H new ATOM 0 HD11 LEU A 39 -2.906 -3.994 -0.542 1.00 4.01 H new ATOM 0 HD12 LEU A 39 -3.991 -4.504 0.773 1.00 4.01 H new ATOM 0 HD13 LEU A 39 -4.618 -3.509 -0.563 1.00 4.01 H new ATOM 0 HD21 LEU A 39 -2.170 -1.646 -0.715 1.00 44.20 H new ATOM 0 HD22 LEU A 39 -3.854 -1.070 -0.741 1.00 44.20 H new ATOM 0 HD23 LEU A 39 -2.717 -0.441 0.475 1.00 44.20 H new ATOM 618 N GLU A 40 -5.661 -1.461 4.542 1.00 51.52 N ATOM 619 CA GLU A 40 -6.756 -1.373 5.501 1.00 54.14 C ATOM 620 C GLU A 40 -6.726 -0.039 6.241 1.00 30.44 C ATOM 621 O GLU A 40 -7.764 0.482 6.649 1.00 61.04 O ATOM 622 CB GLU A 40 -6.681 -2.527 6.503 1.00 41.42 C ATOM 623 CG GLU A 40 -5.353 -2.609 7.236 1.00 64.20 C ATOM 624 CD GLU A 40 -5.424 -3.481 8.474 1.00 25.35 C ATOM 625 OE1 GLU A 40 -6.505 -4.046 8.743 1.00 52.43 O ATOM 626 OE2 GLU A 40 -4.398 -3.599 9.177 1.00 42.40 O ATOM 0 H GLU A 40 -5.022 -2.240 4.701 1.00 51.52 H new ATOM 0 HA GLU A 40 -7.694 -1.441 4.949 1.00 54.14 H new ATOM 0 HB2 GLU A 40 -7.483 -2.417 7.233 1.00 41.42 H new ATOM 0 HB3 GLU A 40 -6.855 -3.466 5.977 1.00 41.42 H new ATOM 0 HG2 GLU A 40 -4.593 -3.004 6.561 1.00 64.20 H new ATOM 0 HG3 GLU A 40 -5.037 -1.605 7.520 1.00 64.20 H new ATOM 633 N LYS A 41 -5.527 0.508 6.413 1.00 33.23 N ATOM 634 CA LYS A 41 -5.359 1.781 7.104 1.00 52.15 C ATOM 635 C LYS A 41 -5.705 2.949 6.185 1.00 51.12 C ATOM 636 O LYS A 41 -6.326 3.923 6.610 1.00 41.44 O ATOM 637 CB LYS A 41 -3.921 1.924 7.609 1.00 52.25 C ATOM 638 CG LYS A 41 -3.823 2.174 9.104 1.00 51.44 C ATOM 639 CD LYS A 41 -3.767 0.872 9.884 1.00 54.31 C ATOM 640 CE LYS A 41 -5.160 0.313 10.136 1.00 64.20 C ATOM 641 NZ LYS A 41 -5.223 -0.469 11.402 1.00 11.54 N ATOM 0 H LYS A 41 -4.657 0.089 6.083 1.00 33.23 H new ATOM 0 HA LYS A 41 -6.040 1.797 7.955 1.00 52.15 H new ATOM 0 HB2 LYS A 41 -3.367 1.018 7.364 1.00 52.25 H new ATOM 0 HB3 LYS A 41 -3.439 2.746 7.079 1.00 52.25 H new ATOM 0 HG2 LYS A 41 -2.933 2.766 9.317 1.00 51.44 H new ATOM 0 HG3 LYS A 41 -4.681 2.760 9.433 1.00 51.44 H new ATOM 0 HD2 LYS A 41 -3.175 0.142 9.333 1.00 54.31 H new ATOM 0 HD3 LYS A 41 -3.263 1.038 10.836 1.00 54.31 H new ATOM 0 HE2 LYS A 41 -5.878 1.132 10.179 1.00 64.20 H new ATOM 0 HE3 LYS A 41 -5.452 -0.324 9.301 1.00 64.20 H new ATOM 0 HZ1 LYS A 41 -6.188 -0.833 11.538 1.00 11.54 H new ATOM 0 HZ2 LYS A 41 -4.557 -1.266 11.351 1.00 11.54 H new ATOM 0 HZ3 LYS A 41 -4.969 0.145 12.202 1.00 11.54 H new ATOM 655 N LEU A 42 -5.300 2.843 4.924 1.00 34.23 N ATOM 656 CA LEU A 42 -5.569 3.890 3.943 1.00 11.25 C ATOM 657 C LEU A 42 -7.054 3.943 3.597 1.00 1.03 C ATOM 658 O LEU A 42 -7.671 5.006 3.630 1.00 5.21 O ATOM 659 CB LEU A 42 -4.746 3.653 2.677 1.00 60.50 C ATOM 660 CG LEU A 42 -3.226 3.696 2.846 1.00 54.52 C ATOM 661 CD1 LEU A 42 -2.567 2.603 2.019 1.00 21.41 C ATOM 662 CD2 LEU A 42 -2.685 5.063 2.454 1.00 21.33 C ATOM 0 H LEU A 42 -4.784 2.043 4.557 1.00 34.23 H new ATOM 0 HA LEU A 42 -5.283 4.846 4.380 1.00 11.25 H new ATOM 0 HB2 LEU A 42 -5.019 2.680 2.267 1.00 60.50 H new ATOM 0 HB3 LEU A 42 -5.031 4.401 1.937 1.00 60.50 H new ATOM 0 HG LEU A 42 -2.990 3.521 3.896 1.00 54.52 H new ATOM 0 HD11 LEU A 42 -1.486 2.648 2.151 1.00 21.41 H new ATOM 0 HD12 LEU A 42 -2.932 1.629 2.346 1.00 21.41 H new ATOM 0 HD13 LEU A 42 -2.810 2.747 0.966 1.00 21.41 H new ATOM 0 HD21 LEU A 42 -1.602 5.076 2.580 1.00 21.33 H new ATOM 0 HD22 LEU A 42 -2.931 5.267 1.412 1.00 21.33 H new ATOM 0 HD23 LEU A 42 -3.133 5.827 3.089 1.00 21.33 H new ATOM 674 N GLU A 43 -7.621 2.787 3.267 1.00 33.15 N ATOM 675 CA GLU A 43 -9.033 2.703 2.916 1.00 75.23 C ATOM 676 C GLU A 43 -9.905 3.290 4.022 1.00 42.14 C ATOM 677 O GLU A 43 -10.952 3.880 3.754 1.00 71.13 O ATOM 678 CB GLU A 43 -9.432 1.247 2.657 1.00 3.42 C ATOM 679 CG GLU A 43 -10.241 1.055 1.386 1.00 14.33 C ATOM 680 CD GLU A 43 -11.633 1.648 1.485 1.00 31.25 C ATOM 681 OE1 GLU A 43 -12.185 1.683 2.605 1.00 40.21 O ATOM 682 OE2 GLU A 43 -12.172 2.076 0.442 1.00 25.52 O ATOM 0 H GLU A 43 -7.124 1.897 3.235 1.00 33.15 H new ATOM 0 HA GLU A 43 -9.189 3.283 2.007 1.00 75.23 H new ATOM 0 HB2 GLU A 43 -8.531 0.637 2.600 1.00 3.42 H new ATOM 0 HB3 GLU A 43 -10.011 0.881 3.505 1.00 3.42 H new ATOM 0 HG2 GLU A 43 -9.713 1.515 0.551 1.00 14.33 H new ATOM 0 HG3 GLU A 43 -10.319 -0.010 1.167 1.00 14.33 H new ATOM 689 N ALA A 44 -9.466 3.126 5.264 1.00 23.33 N ATOM 690 CA ALA A 44 -10.203 3.641 6.411 1.00 53.43 C ATOM 691 C ALA A 44 -10.191 5.166 6.431 1.00 21.22 C ATOM 692 O ALA A 44 -11.078 5.796 7.007 1.00 32.24 O ATOM 693 CB ALA A 44 -9.622 3.089 7.704 1.00 52.50 C ATOM 0 H ALA A 44 -8.602 2.640 5.503 1.00 23.33 H new ATOM 0 HA ALA A 44 -11.239 3.313 6.323 1.00 53.43 H new ATOM 0 HB1 ALA A 44 -10.183 3.482 8.552 1.00 52.50 H new ATOM 0 HB2 ALA A 44 -9.689 2.001 7.698 1.00 52.50 H new ATOM 0 HB3 ALA A 44 -8.577 3.387 7.790 1.00 52.50 H new ATOM 699 N MET A 45 -9.180 5.753 5.800 1.00 63.11 N ATOM 700 CA MET A 45 -9.052 7.205 5.746 1.00 51.50 C ATOM 701 C MET A 45 -9.595 7.750 4.428 1.00 33.34 C ATOM 702 O MET A 45 -9.962 8.920 4.333 1.00 30.25 O ATOM 703 CB MET A 45 -7.589 7.617 5.918 1.00 42.54 C ATOM 704 CG MET A 45 -7.046 7.362 7.314 1.00 2.03 C ATOM 705 SD MET A 45 -7.673 8.537 8.529 1.00 23.14 S ATOM 706 CE MET A 45 -6.147 9.276 9.106 1.00 70.23 C ATOM 0 H MET A 45 -8.437 5.246 5.319 1.00 63.11 H new ATOM 0 HA MET A 45 -9.638 7.627 6.562 1.00 51.50 H new ATOM 0 HB2 MET A 45 -6.980 7.074 5.195 1.00 42.54 H new ATOM 0 HB3 MET A 45 -7.489 8.677 5.686 1.00 42.54 H new ATOM 0 HG2 MET A 45 -7.310 6.351 7.623 1.00 2.03 H new ATOM 0 HG3 MET A 45 -5.958 7.415 7.291 1.00 2.03 H new ATOM 0 HE1 MET A 45 -6.370 10.026 9.865 1.00 70.23 H new ATOM 0 HE2 MET A 45 -5.509 8.504 9.536 1.00 70.23 H new ATOM 0 HE3 MET A 45 -5.632 9.748 8.269 1.00 70.23 H new ATOM 716 N GLY A 46 -9.643 6.891 3.414 1.00 43.52 N ATOM 717 CA GLY A 46 -10.142 7.306 2.115 1.00 23.33 C ATOM 718 C GLY A 46 -9.032 7.753 1.184 1.00 71.44 C ATOM 719 O GLY A 46 -9.257 8.559 0.281 1.00 35.10 O ATOM 0 H GLY A 46 -9.346 5.917 3.468 1.00 43.52 H new ATOM 0 HA2 GLY A 46 -10.686 6.480 1.657 1.00 23.33 H new ATOM 0 HA3 GLY A 46 -10.853 8.122 2.246 1.00 23.33 H new ATOM 723 N ARG A 47 -7.831 7.227 1.402 1.00 5.43 N ATOM 724 CA ARG A 47 -6.682 7.579 0.577 1.00 72.01 C ATOM 725 C ARG A 47 -6.661 6.753 -0.706 1.00 61.50 C ATOM 726 O ARG A 47 -6.397 7.276 -1.789 1.00 61.42 O ATOM 727 CB ARG A 47 -5.383 7.365 1.356 1.00 41.22 C ATOM 728 CG ARG A 47 -5.453 7.838 2.798 1.00 20.52 C ATOM 729 CD ARG A 47 -5.711 9.334 2.882 1.00 71.15 C ATOM 730 NE ARG A 47 -4.544 10.064 3.369 1.00 4.12 N ATOM 731 CZ ARG A 47 -4.540 11.373 3.602 1.00 73.41 C ATOM 732 NH1 ARG A 47 -5.636 12.089 3.394 1.00 65.04 N ATOM 733 NH2 ARG A 47 -3.439 11.965 4.045 1.00 43.12 N ATOM 0 H ARG A 47 -7.629 6.556 2.143 1.00 5.43 H new ATOM 0 HA ARG A 47 -6.767 8.632 0.309 1.00 72.01 H new ATOM 0 HB2 ARG A 47 -5.132 6.305 1.342 1.00 41.22 H new ATOM 0 HB3 ARG A 47 -4.574 7.891 0.849 1.00 41.22 H new ATOM 0 HG2 ARG A 47 -6.245 7.301 3.320 1.00 20.52 H new ATOM 0 HG3 ARG A 47 -4.518 7.600 3.306 1.00 20.52 H new ATOM 0 HD2 ARG A 47 -5.989 9.710 1.897 1.00 71.15 H new ATOM 0 HD3 ARG A 47 -6.557 9.519 3.544 1.00 71.15 H new ATOM 0 HE ARG A 47 -3.685 9.541 3.540 1.00 4.12 H new ATOM 0 HH11 ARG A 47 -6.484 11.636 3.055 1.00 65.04 H new ATOM 0 HH12 ARG A 47 -5.631 13.093 3.573 1.00 65.04 H new ATOM 0 HH21 ARG A 47 -2.595 11.416 4.207 1.00 43.12 H new ATOM 0 HH22 ARG A 47 -3.436 12.969 4.224 1.00 43.12 H new ATOM 747 N ILE A 48 -6.940 5.460 -0.575 1.00 72.12 N ATOM 748 CA ILE A 48 -6.953 4.562 -1.723 1.00 13.31 C ATOM 749 C ILE A 48 -8.363 4.406 -2.283 1.00 4.40 C ATOM 750 O ILE A 48 -8.748 3.330 -2.738 1.00 71.41 O ATOM 751 CB ILE A 48 -6.403 3.171 -1.356 1.00 44.31 C ATOM 752 CG1 ILE A 48 -7.264 2.528 -0.267 1.00 43.35 C ATOM 753 CG2 ILE A 48 -4.955 3.278 -0.901 1.00 33.23 C ATOM 754 CD1 ILE A 48 -6.784 1.158 0.153 1.00 73.43 C ATOM 0 H ILE A 48 -7.160 5.011 0.314 1.00 72.12 H new ATOM 0 HA ILE A 48 -6.310 5.010 -2.481 1.00 13.31 H new ATOM 0 HB ILE A 48 -6.439 2.537 -2.242 1.00 44.31 H new ATOM 0 HG12 ILE A 48 -7.280 3.182 0.605 1.00 43.35 H new ATOM 0 HG13 ILE A 48 -8.290 2.450 -0.626 1.00 43.35 H new ATOM 0 HG21 ILE A 48 -4.580 2.287 -0.645 1.00 33.23 H new ATOM 0 HG22 ILE A 48 -4.351 3.698 -1.705 1.00 33.23 H new ATOM 0 HG23 ILE A 48 -4.895 3.926 -0.026 1.00 33.23 H new ATOM 0 HD11 ILE A 48 -7.442 0.764 0.927 1.00 73.43 H new ATOM 0 HD12 ILE A 48 -6.795 0.489 -0.708 1.00 73.43 H new ATOM 0 HD13 ILE A 48 -5.769 1.232 0.542 1.00 73.43 H new ATOM 1035 N THR A 62 -19.274 -9.374 -20.917 1.00 65.43 N ATOM 1036 CA THR A 62 -19.959 -9.563 -22.189 1.00 35.22 C ATOM 1037 C THR A 62 -21.363 -8.969 -22.151 1.00 61.12 C ATOM 1038 O THR A 62 -21.880 -8.644 -21.083 1.00 34.35 O ATOM 1039 CB THR A 62 -20.057 -11.056 -22.557 1.00 53.55 C ATOM 1040 OG1 THR A 62 -18.930 -11.766 -22.032 1.00 1.20 O ATOM 1041 CG2 THR A 62 -20.117 -11.238 -24.067 1.00 53.41 C ATOM 0 HA THR A 62 -19.369 -9.047 -22.946 1.00 35.22 H new ATOM 0 HB THR A 62 -20.973 -11.455 -22.121 1.00 53.55 H new ATOM 0 HG1 THR A 62 -18.453 -11.196 -21.394 1.00 1.20 H new ATOM 0 HG21 THR A 62 -20.186 -12.300 -24.303 1.00 53.41 H new ATOM 0 HG22 THR A 62 -20.992 -10.721 -24.461 1.00 53.41 H new ATOM 0 HG23 THR A 62 -19.216 -10.823 -24.520 1.00 53.41 H new ATOM 1049 N GLU A 63 -21.974 -8.829 -23.323 1.00 63.35 N ATOM 1050 CA GLU A 63 -23.318 -8.272 -23.422 1.00 41.05 C ATOM 1051 C GLU A 63 -24.324 -9.144 -22.676 1.00 42.35 C ATOM 1052 O GLU A 63 -25.099 -8.652 -21.857 1.00 65.01 O ATOM 1053 CB GLU A 63 -23.731 -8.138 -24.889 1.00 4.32 C ATOM 1054 CG GLU A 63 -23.308 -6.824 -25.524 1.00 2.03 C ATOM 1055 CD GLU A 63 -22.548 -7.020 -26.820 1.00 60.44 C ATOM 1056 OE1 GLU A 63 -21.772 -7.995 -26.913 1.00 60.23 O ATOM 1057 OE2 GLU A 63 -22.728 -6.199 -27.744 1.00 10.42 O ATOM 0 H GLU A 63 -21.560 -9.093 -24.217 1.00 63.35 H new ATOM 0 HA GLU A 63 -23.309 -7.283 -22.963 1.00 41.05 H new ATOM 0 HB2 GLU A 63 -23.298 -8.962 -25.456 1.00 4.32 H new ATOM 0 HB3 GLU A 63 -24.814 -8.235 -24.963 1.00 4.32 H new ATOM 0 HG2 GLU A 63 -24.192 -6.216 -25.714 1.00 2.03 H new ATOM 0 HG3 GLU A 63 -22.685 -6.270 -24.822 1.00 2.03 H new ATOM 1064 N GLU A 64 -24.304 -10.441 -22.968 1.00 31.43 N ATOM 1065 CA GLU A 64 -25.216 -11.381 -22.326 1.00 24.32 C ATOM 1066 C GLU A 64 -24.768 -11.686 -20.899 1.00 65.42 C ATOM 1067 O GLU A 64 -25.589 -11.945 -20.022 1.00 32.41 O ATOM 1068 CB GLU A 64 -25.299 -12.677 -23.134 1.00 14.15 C ATOM 1069 CG GLU A 64 -26.722 -13.152 -23.379 1.00 25.14 C ATOM 1070 CD GLU A 64 -26.781 -14.568 -23.918 1.00 20.23 C ATOM 1071 OE1 GLU A 64 -26.810 -15.513 -23.101 1.00 74.25 O ATOM 1072 OE2 GLU A 64 -26.798 -14.731 -25.156 1.00 45.21 O ATOM 0 H GLU A 64 -23.668 -10.864 -23.644 1.00 31.43 H new ATOM 0 HA GLU A 64 -26.203 -10.921 -22.288 1.00 24.32 H new ATOM 0 HB2 GLU A 64 -24.804 -12.529 -24.094 1.00 14.15 H new ATOM 0 HB3 GLU A 64 -24.749 -13.458 -22.609 1.00 14.15 H new ATOM 0 HG2 GLU A 64 -27.284 -13.099 -22.447 1.00 25.14 H new ATOM 0 HG3 GLU A 64 -27.209 -12.479 -24.084 1.00 25.14 H new ATOM 1079 N GLU A 65 -23.457 -11.653 -20.678 1.00 63.31 N ATOM 1080 CA GLU A 65 -22.898 -11.928 -19.359 1.00 10.13 C ATOM 1081 C GLU A 65 -23.267 -10.824 -18.372 1.00 3.30 C ATOM 1082 O GLU A 65 -23.766 -11.094 -17.278 1.00 51.10 O ATOM 1083 CB GLU A 65 -21.377 -12.065 -19.443 1.00 25.35 C ATOM 1084 CG GLU A 65 -20.917 -13.322 -20.162 1.00 11.31 C ATOM 1085 CD GLU A 65 -20.961 -14.551 -19.274 1.00 52.04 C ATOM 1086 OE1 GLU A 65 -20.126 -14.644 -18.351 1.00 13.24 O ATOM 1087 OE2 GLU A 65 -21.829 -15.419 -19.505 1.00 2.12 O ATOM 0 H GLU A 65 -22.763 -11.439 -21.394 1.00 63.31 H new ATOM 0 HA GLU A 65 -23.320 -12.867 -19.002 1.00 10.13 H new ATOM 0 HB2 GLU A 65 -20.970 -11.194 -19.956 1.00 25.35 H new ATOM 0 HB3 GLU A 65 -20.964 -12.062 -18.434 1.00 25.35 H new ATOM 0 HG2 GLU A 65 -21.547 -13.487 -21.036 1.00 11.31 H new ATOM 0 HG3 GLU A 65 -19.900 -13.177 -20.525 1.00 11.31 H new ATOM 1094 N LEU A 66 -23.017 -9.580 -18.764 1.00 71.44 N ATOM 1095 CA LEU A 66 -23.321 -8.434 -17.914 1.00 51.35 C ATOM 1096 C LEU A 66 -24.782 -8.454 -17.475 1.00 31.21 C ATOM 1097 O LEU A 66 -25.122 -7.975 -16.394 1.00 24.03 O ATOM 1098 CB LEU A 66 -23.019 -7.131 -18.655 1.00 42.45 C ATOM 1099 CG LEU A 66 -24.116 -6.618 -19.588 1.00 52.35 C ATOM 1100 CD1 LEU A 66 -25.063 -5.692 -18.841 1.00 51.01 C ATOM 1101 CD2 LEU A 66 -23.507 -5.906 -20.788 1.00 43.33 C ATOM 0 H LEU A 66 -22.605 -9.339 -19.665 1.00 71.44 H new ATOM 0 HA LEU A 66 -22.692 -8.495 -17.026 1.00 51.35 H new ATOM 0 HB2 LEU A 66 -22.807 -6.358 -17.917 1.00 42.45 H new ATOM 0 HB3 LEU A 66 -22.110 -7.271 -19.239 1.00 42.45 H new ATOM 0 HG LEU A 66 -24.687 -7.473 -19.950 1.00 52.35 H new ATOM 0 HD11 LEU A 66 -25.837 -5.337 -19.522 1.00 51.01 H new ATOM 0 HD12 LEU A 66 -25.526 -6.233 -18.016 1.00 51.01 H new ATOM 0 HD13 LEU A 66 -24.506 -4.841 -18.449 1.00 51.01 H new ATOM 0 HD21 LEU A 66 -24.303 -5.548 -21.441 1.00 43.33 H new ATOM 0 HD22 LEU A 66 -22.911 -5.060 -20.445 1.00 43.33 H new ATOM 0 HD23 LEU A 66 -22.871 -6.599 -21.338 1.00 43.33 H new ATOM 1113 N ALA A 67 -25.641 -9.015 -18.320 1.00 73.03 N ATOM 1114 CA ALA A 67 -27.064 -9.103 -18.017 1.00 42.12 C ATOM 1115 C ALA A 67 -27.355 -10.270 -17.080 1.00 11.44 C ATOM 1116 O ALA A 67 -28.333 -10.250 -16.332 1.00 32.31 O ATOM 1117 CB ALA A 67 -27.869 -9.240 -19.301 1.00 13.03 C ATOM 0 H ALA A 67 -25.376 -9.415 -19.220 1.00 73.03 H new ATOM 0 HA ALA A 67 -27.360 -8.184 -17.512 1.00 42.12 H new ATOM 0 HB1 ALA A 67 -28.930 -9.305 -19.060 1.00 13.03 H new ATOM 0 HB2 ALA A 67 -27.693 -8.371 -19.935 1.00 13.03 H new ATOM 0 HB3 ALA A 67 -27.561 -10.143 -19.829 1.00 13.03 H new ATOM 1123 N THR A 68 -26.500 -11.286 -17.125 1.00 74.30 N ATOM 1124 CA THR A 68 -26.666 -12.463 -16.281 1.00 70.40 C ATOM 1125 C THR A 68 -26.079 -12.232 -14.894 1.00 0.12 C ATOM 1126 O THR A 68 -26.657 -12.648 -13.888 1.00 3.41 O ATOM 1127 CB THR A 68 -26.000 -13.703 -16.908 1.00 42.30 C ATOM 1128 OG1 THR A 68 -26.475 -13.891 -18.245 1.00 52.31 O ATOM 1129 CG2 THR A 68 -26.287 -14.947 -16.083 1.00 23.15 C ATOM 0 H THR A 68 -25.685 -11.318 -17.737 1.00 74.30 H new ATOM 0 HA THR A 68 -27.738 -12.641 -16.194 1.00 70.40 H new ATOM 0 HB THR A 68 -24.923 -13.539 -16.926 1.00 42.30 H new ATOM 0 HG1 THR A 68 -26.130 -13.175 -18.818 1.00 52.31 H new ATOM 0 HG21 THR A 68 -25.807 -15.809 -16.546 1.00 23.15 H new ATOM 0 HG22 THR A 68 -25.897 -14.812 -15.074 1.00 23.15 H new ATOM 0 HG23 THR A 68 -27.363 -15.113 -16.037 1.00 23.15 H new ATOM 1137 N ILE A 69 -24.931 -11.566 -14.845 1.00 61.33 N ATOM 1138 CA ILE A 69 -24.267 -11.280 -13.579 1.00 42.53 C ATOM 1139 C ILE A 69 -25.149 -10.419 -12.680 1.00 45.41 C ATOM 1140 O ILE A 69 -25.190 -10.613 -11.465 1.00 55.35 O ATOM 1141 CB ILE A 69 -22.923 -10.562 -13.798 1.00 64.43 C ATOM 1142 CG1 ILE A 69 -22.262 -10.247 -12.454 1.00 40.53 C ATOM 1143 CG2 ILE A 69 -23.126 -9.289 -14.606 1.00 72.32 C ATOM 1144 CD1 ILE A 69 -20.779 -9.969 -12.560 1.00 31.33 C ATOM 0 H ILE A 69 -24.441 -11.214 -15.667 1.00 61.33 H new ATOM 0 HA ILE A 69 -24.083 -12.239 -13.095 1.00 42.53 H new ATOM 0 HB ILE A 69 -22.263 -11.223 -14.360 1.00 64.43 H new ATOM 0 HG12 ILE A 69 -22.755 -9.382 -12.010 1.00 40.53 H new ATOM 0 HG13 ILE A 69 -22.419 -11.086 -11.776 1.00 40.53 H new ATOM 0 HG21 ILE A 69 -22.166 -8.794 -14.752 1.00 72.32 H new ATOM 0 HG22 ILE A 69 -23.557 -9.538 -15.576 1.00 72.32 H new ATOM 0 HG23 ILE A 69 -23.801 -8.622 -14.070 1.00 72.32 H new ATOM 0 HD11 ILE A 69 -20.377 -9.754 -11.570 1.00 31.33 H new ATOM 0 HD12 ILE A 69 -20.274 -10.841 -12.975 1.00 31.33 H new ATOM 0 HD13 ILE A 69 -20.615 -9.111 -13.212 1.00 31.33 H new ATOM 1156 N ARG A 70 -25.852 -9.467 -13.286 1.00 33.31 N ATOM 1157 CA ARG A 70 -26.733 -8.577 -12.540 1.00 43.01 C ATOM 1158 C ARG A 70 -27.741 -9.374 -11.718 1.00 1.41 C ATOM 1159 O ARG A 70 -28.260 -8.886 -10.714 1.00 22.02 O ATOM 1160 CB ARG A 70 -27.469 -7.635 -13.496 1.00 22.11 C ATOM 1161 CG ARG A 70 -28.625 -8.294 -14.229 1.00 71.24 C ATOM 1162 CD ARG A 70 -29.959 -7.956 -13.585 1.00 13.23 C ATOM 1163 NE ARG A 70 -30.412 -6.612 -13.933 1.00 62.14 N ATOM 1164 CZ ARG A 70 -31.675 -6.214 -13.839 1.00 52.44 C ATOM 1165 NH1 ARG A 70 -32.608 -7.052 -13.409 1.00 54.12 N ATOM 1166 NH2 ARG A 70 -32.009 -4.974 -14.175 1.00 61.34 N ATOM 0 H ARG A 70 -25.828 -9.293 -14.291 1.00 33.31 H new ATOM 0 HA ARG A 70 -26.120 -7.987 -11.859 1.00 43.01 H new ATOM 0 HB2 ARG A 70 -27.846 -6.781 -12.933 1.00 22.11 H new ATOM 0 HB3 ARG A 70 -26.760 -7.246 -14.227 1.00 22.11 H new ATOM 0 HG2 ARG A 70 -28.630 -7.969 -15.269 1.00 71.24 H new ATOM 0 HG3 ARG A 70 -28.485 -9.375 -14.233 1.00 71.24 H new ATOM 0 HD2 ARG A 70 -30.708 -8.683 -13.900 1.00 13.23 H new ATOM 0 HD3 ARG A 70 -29.870 -8.039 -12.502 1.00 13.23 H new ATOM 0 HE ARG A 70 -29.719 -5.942 -14.267 1.00 62.14 H new ATOM 0 HH11 ARG A 70 -32.356 -8.006 -13.149 1.00 54.12 H new ATOM 0 HH12 ARG A 70 -33.577 -6.743 -13.338 1.00 54.12 H new ATOM 0 HH21 ARG A 70 -31.295 -4.325 -14.506 1.00 61.34 H new ATOM 0 HH22 ARG A 70 -32.980 -4.670 -14.102 1.00 61.34 H new ATOM 1180 N GLU A 71 -28.014 -10.600 -12.152 1.00 3.14 N ATOM 1181 CA GLU A 71 -28.961 -11.463 -11.455 1.00 72.24 C ATOM 1182 C GLU A 71 -28.592 -11.598 -9.981 1.00 1.31 C ATOM 1183 O GLU A 71 -29.463 -11.759 -9.123 1.00 24.11 O ATOM 1184 CB GLU A 71 -29.003 -12.845 -12.110 1.00 73.52 C ATOM 1185 CG GLU A 71 -30.295 -13.602 -11.852 1.00 34.34 C ATOM 1186 CD GLU A 71 -31.422 -13.162 -12.764 1.00 51.34 C ATOM 1187 OE1 GLU A 71 -31.172 -12.325 -13.656 1.00 2.42 O ATOM 1188 OE2 GLU A 71 -32.557 -13.654 -12.586 1.00 63.54 O ATOM 0 H GLU A 71 -27.594 -11.018 -12.982 1.00 3.14 H new ATOM 0 HA GLU A 71 -29.948 -11.006 -11.524 1.00 72.24 H new ATOM 0 HB2 GLU A 71 -28.866 -12.732 -13.186 1.00 73.52 H new ATOM 0 HB3 GLU A 71 -28.165 -13.437 -11.743 1.00 73.52 H new ATOM 0 HG2 GLU A 71 -30.119 -14.669 -11.987 1.00 34.34 H new ATOM 0 HG3 GLU A 71 -30.595 -13.457 -10.814 1.00 34.34 H new ATOM 1195 N LEU A 72 -27.297 -11.532 -9.693 1.00 43.12 N ATOM 1196 CA LEU A 72 -26.811 -11.647 -8.322 1.00 32.44 C ATOM 1197 C LEU A 72 -27.513 -10.646 -7.410 1.00 24.23 C ATOM 1198 O LEU A 72 -27.561 -10.828 -6.193 1.00 1.32 O ATOM 1199 CB LEU A 72 -25.299 -11.424 -8.276 1.00 2.21 C ATOM 1200 CG LEU A 72 -24.839 -9.980 -8.068 1.00 54.25 C ATOM 1201 CD1 LEU A 72 -25.517 -9.056 -9.069 1.00 21.35 C ATOM 1202 CD2 LEU A 72 -25.127 -9.529 -6.643 1.00 63.22 C ATOM 0 H LEU A 72 -26.564 -11.399 -10.390 1.00 43.12 H new ATOM 0 HA LEU A 72 -27.034 -12.653 -7.966 1.00 32.44 H new ATOM 0 HB2 LEU A 72 -24.886 -12.035 -7.473 1.00 2.21 H new ATOM 0 HB3 LEU A 72 -24.869 -11.790 -9.208 1.00 2.21 H new ATOM 0 HG LEU A 72 -23.762 -9.933 -8.232 1.00 54.25 H new ATOM 0 HD11 LEU A 72 -25.178 -8.033 -8.907 1.00 21.35 H new ATOM 0 HD12 LEU A 72 -25.261 -9.367 -10.082 1.00 21.35 H new ATOM 0 HD13 LEU A 72 -26.598 -9.106 -8.936 1.00 21.35 H new ATOM 0 HD21 LEU A 72 -24.793 -8.500 -6.513 1.00 63.22 H new ATOM 0 HD22 LEU A 72 -26.198 -9.590 -6.451 1.00 63.22 H new ATOM 0 HD23 LEU A 72 -24.596 -10.174 -5.943 1.00 63.22 H new ATOM 1214 N TYR A 73 -28.057 -9.592 -8.005 1.00 51.34 N ATOM 1215 CA TYR A 73 -28.757 -8.561 -7.246 1.00 64.34 C ATOM 1216 C TYR A 73 -30.161 -9.022 -6.867 1.00 64.33 C ATOM 1217 O TYR A 73 -30.611 -8.817 -5.739 1.00 54.23 O ATOM 1218 CB TYR A 73 -28.834 -7.265 -8.057 1.00 35.42 C ATOM 1219 CG TYR A 73 -28.732 -6.016 -7.212 1.00 23.54 C ATOM 1220 CD1 TYR A 73 -27.664 -5.828 -6.343 1.00 63.24 C ATOM 1221 CD2 TYR A 73 -29.702 -5.025 -7.281 1.00 25.30 C ATOM 1222 CE1 TYR A 73 -27.565 -4.688 -5.568 1.00 74.42 C ATOM 1223 CE2 TYR A 73 -29.610 -3.881 -6.511 1.00 54.53 C ATOM 1224 CZ TYR A 73 -28.540 -3.718 -5.656 1.00 55.44 C ATOM 1225 OH TYR A 73 -28.448 -2.581 -4.887 1.00 24.30 O ATOM 0 H TYR A 73 -28.027 -9.428 -9.011 1.00 51.34 H new ATOM 0 HA TYR A 73 -28.196 -8.376 -6.330 1.00 64.34 H new ATOM 0 HB2 TYR A 73 -28.033 -7.260 -8.796 1.00 35.42 H new ATOM 0 HB3 TYR A 73 -29.775 -7.246 -8.607 1.00 35.42 H new ATOM 0 HD1 TYR A 73 -26.898 -6.586 -6.272 1.00 63.24 H new ATOM 0 HD2 TYR A 73 -30.542 -5.150 -7.948 1.00 25.30 H new ATOM 0 HE1 TYR A 73 -26.728 -4.558 -4.897 1.00 74.42 H new ATOM 0 HE2 TYR A 73 -30.372 -3.119 -6.578 1.00 54.53 H new ATOM 0 HH TYR A 73 -29.215 -1.999 -5.070 1.00 24.30 H new ATOM 1235 N LEU A 74 -30.847 -9.647 -7.818 1.00 33.54 N ATOM 1236 CA LEU A 74 -32.201 -10.141 -7.585 1.00 41.22 C ATOM 1237 C LEU A 74 -32.183 -11.389 -6.708 1.00 63.43 C ATOM 1238 O LEU A 74 -32.971 -11.513 -5.770 1.00 65.25 O ATOM 1239 CB LEU A 74 -32.889 -10.448 -8.916 1.00 43.14 C ATOM 1240 CG LEU A 74 -33.118 -9.254 -9.844 1.00 40.20 C ATOM 1241 CD1 LEU A 74 -31.963 -9.109 -10.823 1.00 3.42 C ATOM 1242 CD2 LEU A 74 -34.435 -9.405 -10.590 1.00 54.14 C ATOM 0 H LEU A 74 -30.489 -9.824 -8.757 1.00 33.54 H new ATOM 0 HA LEU A 74 -32.760 -9.363 -7.065 1.00 41.22 H new ATOM 0 HB2 LEU A 74 -32.291 -11.188 -9.449 1.00 43.14 H new ATOM 0 HB3 LEU A 74 -33.854 -10.909 -8.706 1.00 43.14 H new ATOM 0 HG LEU A 74 -33.168 -8.350 -9.237 1.00 40.20 H new ATOM 0 HD11 LEU A 74 -32.144 -8.254 -11.475 1.00 3.42 H new ATOM 0 HD12 LEU A 74 -31.036 -8.955 -10.271 1.00 3.42 H new ATOM 0 HD13 LEU A 74 -31.881 -10.014 -11.425 1.00 3.42 H new ATOM 0 HD21 LEU A 74 -34.582 -8.547 -11.246 1.00 54.14 H new ATOM 0 HD22 LEU A 74 -34.413 -10.317 -11.186 1.00 54.14 H new ATOM 0 HD23 LEU A 74 -35.255 -9.459 -9.874 1.00 54.14 H new ATOM 1254 N LYS A 75 -31.279 -12.311 -7.020 1.00 4.11 N ATOM 1255 CA LYS A 75 -31.155 -13.549 -6.260 1.00 24.13 C ATOM 1256 C LYS A 75 -30.345 -13.326 -4.985 1.00 52.31 C ATOM 1257 O LYS A 75 -30.427 -14.111 -4.042 1.00 51.42 O ATOM 1258 CB LYS A 75 -30.492 -14.632 -7.114 1.00 75.21 C ATOM 1259 CG LYS A 75 -31.387 -15.168 -8.217 1.00 54.35 C ATOM 1260 CD LYS A 75 -30.587 -15.912 -9.273 1.00 43.24 C ATOM 1261 CE LYS A 75 -29.868 -17.115 -8.682 1.00 12.31 C ATOM 1262 NZ LYS A 75 -29.278 -17.984 -9.739 1.00 0.32 N ATOM 0 H LYS A 75 -30.621 -12.224 -7.794 1.00 4.11 H new ATOM 0 HA LYS A 75 -32.157 -13.877 -5.982 1.00 24.13 H new ATOM 0 HB2 LYS A 75 -29.584 -14.226 -7.559 1.00 75.21 H new ATOM 0 HB3 LYS A 75 -30.190 -15.457 -6.469 1.00 75.21 H new ATOM 0 HG2 LYS A 75 -32.134 -15.836 -7.788 1.00 54.35 H new ATOM 0 HG3 LYS A 75 -31.926 -14.343 -8.682 1.00 54.35 H new ATOM 0 HD2 LYS A 75 -31.253 -16.241 -10.071 1.00 43.24 H new ATOM 0 HD3 LYS A 75 -29.859 -15.237 -9.723 1.00 43.24 H new ATOM 0 HE2 LYS A 75 -29.080 -16.773 -8.011 1.00 12.31 H new ATOM 0 HE3 LYS A 75 -30.567 -17.697 -8.082 1.00 12.31 H new ATOM 0 HZ1 LYS A 75 -28.797 -18.792 -9.295 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 -30.033 -18.331 -10.365 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 -28.592 -17.436 -10.296 1.00 0.32 H new ATOM 1276 N GLY A 76 -29.565 -12.249 -4.966 1.00 72.22 N ATOM 1277 CA GLY A 76 -28.754 -11.942 -3.802 1.00 74.52 C ATOM 1278 C GLY A 76 -27.478 -12.761 -3.753 1.00 12.05 C ATOM 1279 O GLY A 76 -26.821 -12.834 -2.716 1.00 23.54 O ATOM 0 H GLY A 76 -29.480 -11.584 -5.735 1.00 72.22 H new ATOM 0 HA2 GLY A 76 -28.502 -10.882 -3.808 1.00 74.52 H new ATOM 0 HA3 GLY A 76 -29.336 -12.126 -2.899 1.00 74.52 H new ATOM 1283 N ALA A 77 -27.129 -13.378 -4.876 1.00 34.40 N ATOM 1284 CA ALA A 77 -25.924 -14.195 -4.957 1.00 13.52 C ATOM 1285 C ALA A 77 -24.679 -13.365 -4.664 1.00 64.33 C ATOM 1286 O ALA A 77 -24.749 -12.141 -4.544 1.00 61.35 O ATOM 1287 CB ALA A 77 -25.818 -14.845 -6.328 1.00 23.01 C ATOM 0 H ALA A 77 -27.664 -13.328 -5.743 1.00 34.40 H new ATOM 0 HA ALA A 77 -25.993 -14.978 -4.202 1.00 13.52 H new ATOM 0 HB1 ALA A 77 -24.914 -15.452 -6.374 1.00 23.01 H new ATOM 0 HB2 ALA A 77 -26.689 -15.478 -6.499 1.00 23.01 H new ATOM 0 HB3 ALA A 77 -25.775 -14.072 -7.095 1.00 23.01 H new ATOM 1293 N THR A 78 -23.539 -14.039 -4.548 1.00 60.11 N ATOM 1294 CA THR A 78 -22.278 -13.365 -4.268 1.00 45.51 C ATOM 1295 C THR A 78 -21.276 -13.579 -5.397 1.00 41.33 C ATOM 1296 O THR A 78 -21.564 -14.272 -6.372 1.00 72.21 O ATOM 1297 CB THR A 78 -21.658 -13.858 -2.947 1.00 74.45 C ATOM 1298 OG1 THR A 78 -21.175 -15.198 -3.104 1.00 22.22 O ATOM 1299 CG2 THR A 78 -22.677 -13.810 -1.820 1.00 11.23 C ATOM 0 H THR A 78 -23.464 -15.052 -4.644 1.00 60.11 H new ATOM 0 HA THR A 78 -22.502 -12.302 -4.182 1.00 45.51 H new ATOM 0 HB THR A 78 -20.828 -13.200 -2.692 1.00 74.45 H new ATOM 0 HG1 THR A 78 -20.781 -15.504 -2.261 1.00 22.22 H new ATOM 0 HG21 THR A 78 -22.216 -14.163 -0.897 1.00 11.23 H new ATOM 0 HG22 THR A 78 -23.022 -12.785 -1.685 1.00 11.23 H new ATOM 0 HG23 THR A 78 -23.525 -14.448 -2.069 1.00 11.23 H new ATOM 1307 N VAL A 79 -20.098 -12.978 -5.259 1.00 53.21 N ATOM 1308 CA VAL A 79 -19.053 -13.105 -6.267 1.00 33.21 C ATOM 1309 C VAL A 79 -18.745 -14.569 -6.559 1.00 22.12 C ATOM 1310 O VAL A 79 -18.413 -14.932 -7.688 1.00 5.23 O ATOM 1311 CB VAL A 79 -17.758 -12.398 -5.825 1.00 71.33 C ATOM 1312 CG1 VAL A 79 -16.732 -12.410 -6.948 1.00 74.42 C ATOM 1313 CG2 VAL A 79 -18.054 -10.974 -5.379 1.00 33.13 C ATOM 0 H VAL A 79 -19.844 -12.399 -4.459 1.00 53.21 H new ATOM 0 HA VAL A 79 -19.428 -12.628 -7.173 1.00 33.21 H new ATOM 0 HB VAL A 79 -17.340 -12.941 -4.977 1.00 71.33 H new ATOM 0 HG11 VAL A 79 -15.824 -11.906 -6.617 1.00 74.42 H new ATOM 0 HG12 VAL A 79 -16.498 -13.440 -7.216 1.00 74.42 H new ATOM 0 HG13 VAL A 79 -17.138 -11.892 -7.817 1.00 74.42 H new ATOM 0 HG21 VAL A 79 -17.128 -10.489 -5.070 1.00 33.13 H new ATOM 0 HG22 VAL A 79 -18.496 -10.418 -6.206 1.00 33.13 H new ATOM 0 HG23 VAL A 79 -18.751 -10.993 -4.541 1.00 33.13 H new ATOM 1323 N TYR A 80 -18.859 -15.407 -5.535 1.00 22.20 N ATOM 1324 CA TYR A 80 -18.590 -16.833 -5.680 1.00 51.24 C ATOM 1325 C TYR A 80 -19.714 -17.523 -6.447 1.00 45.11 C ATOM 1326 O TYR A 80 -19.507 -18.566 -7.066 1.00 31.22 O ATOM 1327 CB TYR A 80 -18.421 -17.484 -4.306 1.00 42.13 C ATOM 1328 CG TYR A 80 -18.011 -18.938 -4.372 1.00 1.23 C ATOM 1329 CD1 TYR A 80 -16.699 -19.298 -4.654 1.00 30.34 C ATOM 1330 CD2 TYR A 80 -18.936 -19.951 -4.153 1.00 75.33 C ATOM 1331 CE1 TYR A 80 -16.320 -20.626 -4.715 1.00 64.01 C ATOM 1332 CE2 TYR A 80 -18.565 -21.281 -4.211 1.00 54.23 C ATOM 1333 CZ TYR A 80 -17.257 -21.613 -4.493 1.00 72.23 C ATOM 1334 OH TYR A 80 -16.884 -22.936 -4.553 1.00 60.13 O ATOM 0 H TYR A 80 -19.136 -15.124 -4.595 1.00 22.20 H new ATOM 0 HA TYR A 80 -17.665 -16.947 -6.245 1.00 51.24 H new ATOM 0 HB2 TYR A 80 -17.673 -16.929 -3.740 1.00 42.13 H new ATOM 0 HB3 TYR A 80 -19.359 -17.404 -3.757 1.00 42.13 H new ATOM 0 HD1 TYR A 80 -15.963 -18.527 -4.828 1.00 30.34 H new ATOM 0 HD2 TYR A 80 -19.962 -19.695 -3.934 1.00 75.33 H new ATOM 0 HE1 TYR A 80 -15.296 -20.889 -4.935 1.00 64.01 H new ATOM 0 HE2 TYR A 80 -19.296 -22.056 -4.036 1.00 54.23 H new ATOM 0 HH TYR A 80 -17.662 -23.504 -4.372 1.00 60.13 H new ATOM 1344 N GLU A 81 -20.903 -16.931 -6.401 1.00 72.24 N ATOM 1345 CA GLU A 81 -22.060 -17.488 -7.092 1.00 72.21 C ATOM 1346 C GLU A 81 -21.991 -17.201 -8.590 1.00 1.24 C ATOM 1347 O GLU A 81 -22.108 -18.110 -9.413 1.00 3.32 O ATOM 1348 CB GLU A 81 -23.354 -16.914 -6.511 1.00 33.24 C ATOM 1349 CG GLU A 81 -23.729 -17.505 -5.162 1.00 12.11 C ATOM 1350 CD GLU A 81 -24.205 -18.941 -5.266 1.00 52.11 C ATOM 1351 OE1 GLU A 81 -25.384 -19.153 -5.617 1.00 14.52 O ATOM 1352 OE2 GLU A 81 -23.396 -19.854 -4.995 1.00 50.43 O ATOM 0 H GLU A 81 -21.090 -16.067 -5.893 1.00 72.24 H new ATOM 0 HA GLU A 81 -22.052 -18.568 -6.946 1.00 72.21 H new ATOM 0 HB2 GLU A 81 -23.249 -15.834 -6.409 1.00 33.24 H new ATOM 0 HB3 GLU A 81 -24.168 -17.090 -7.214 1.00 33.24 H new ATOM 0 HG2 GLU A 81 -22.866 -17.459 -4.497 1.00 12.11 H new ATOM 0 HG3 GLU A 81 -24.513 -16.898 -4.709 1.00 12.11 H new ATOM 1359 N ILE A 82 -21.801 -15.931 -8.934 1.00 22.43 N ATOM 1360 CA ILE A 82 -21.715 -15.524 -10.331 1.00 53.32 C ATOM 1361 C ILE A 82 -20.660 -16.333 -11.076 1.00 35.41 C ATOM 1362 O ILE A 82 -20.818 -16.640 -12.258 1.00 35.45 O ATOM 1363 CB ILE A 82 -21.384 -14.026 -10.461 1.00 2.11 C ATOM 1364 CG1 ILE A 82 -20.160 -13.677 -9.612 1.00 51.15 C ATOM 1365 CG2 ILE A 82 -22.580 -13.180 -10.048 1.00 74.35 C ATOM 1366 CD1 ILE A 82 -19.743 -12.226 -9.720 1.00 22.41 C ATOM 0 H ILE A 82 -21.704 -15.167 -8.265 1.00 22.43 H new ATOM 0 HA ILE A 82 -22.693 -15.712 -10.775 1.00 53.32 H new ATOM 0 HB ILE A 82 -21.154 -13.809 -11.504 1.00 2.11 H new ATOM 0 HG12 ILE A 82 -20.374 -13.908 -8.569 1.00 51.15 H new ATOM 0 HG13 ILE A 82 -19.326 -14.310 -9.914 1.00 51.15 H new ATOM 0 HG21 ILE A 82 -22.330 -12.124 -10.146 1.00 74.35 H new ATOM 0 HG22 ILE A 82 -23.429 -13.412 -10.690 1.00 74.35 H new ATOM 0 HG23 ILE A 82 -22.839 -13.397 -9.012 1.00 74.35 H new ATOM 0 HD11 ILE A 82 -18.869 -12.051 -9.092 1.00 22.41 H new ATOM 0 HD12 ILE A 82 -19.497 -11.994 -10.756 1.00 22.41 H new ATOM 0 HD13 ILE A 82 -20.562 -11.587 -9.389 1.00 22.41 H new ATOM 1378 N ALA A 83 -19.584 -16.679 -10.376 1.00 62.04 N ATOM 1379 CA ALA A 83 -18.504 -17.456 -10.971 1.00 63.33 C ATOM 1380 C ALA A 83 -19.014 -18.796 -11.492 1.00 45.44 C ATOM 1381 O ALA A 83 -18.766 -19.160 -12.642 1.00 21.40 O ATOM 1382 CB ALA A 83 -17.390 -17.673 -9.958 1.00 3.53 C ATOM 0 H ALA A 83 -19.438 -16.433 -9.397 1.00 62.04 H new ATOM 0 HA ALA A 83 -18.108 -16.893 -11.816 1.00 63.33 H new ATOM 0 HB1 ALA A 83 -16.590 -18.255 -10.416 1.00 3.53 H new ATOM 0 HB2 ALA A 83 -16.998 -16.708 -9.636 1.00 3.53 H new ATOM 0 HB3 ALA A 83 -17.782 -18.212 -9.096 1.00 3.53 H new ATOM 1388 N ARG A 84 -19.727 -19.524 -10.640 1.00 4.13 N ATOM 1389 CA ARG A 84 -20.270 -20.825 -11.014 1.00 41.34 C ATOM 1390 C ARG A 84 -21.450 -20.666 -11.969 1.00 42.24 C ATOM 1391 O ARG A 84 -21.549 -21.374 -12.971 1.00 31.23 O ATOM 1392 CB ARG A 84 -20.708 -21.596 -9.769 1.00 14.00 C ATOM 1393 CG ARG A 84 -19.769 -22.731 -9.393 1.00 52.54 C ATOM 1394 CD ARG A 84 -19.881 -23.082 -7.919 1.00 2.45 C ATOM 1395 NE ARG A 84 -20.795 -24.196 -7.688 1.00 11.20 N ATOM 1396 CZ ARG A 84 -20.529 -25.450 -8.037 1.00 52.43 C ATOM 1397 NH1 ARG A 84 -19.380 -25.746 -8.629 1.00 74.14 N ATOM 1398 NH2 ARG A 84 -21.412 -26.410 -7.793 1.00 42.54 N ATOM 0 H ARG A 84 -19.943 -19.236 -9.686 1.00 4.13 H new ATOM 0 HA ARG A 84 -19.486 -21.386 -11.522 1.00 41.34 H new ATOM 0 HB2 ARG A 84 -20.781 -20.904 -8.930 1.00 14.00 H new ATOM 0 HB3 ARG A 84 -21.706 -22.002 -9.936 1.00 14.00 H new ATOM 0 HG2 ARG A 84 -19.999 -23.610 -9.996 1.00 52.54 H new ATOM 0 HG3 ARG A 84 -18.742 -22.446 -9.623 1.00 52.54 H new ATOM 0 HD2 ARG A 84 -18.895 -23.337 -7.531 1.00 2.45 H new ATOM 0 HD3 ARG A 84 -20.226 -22.210 -7.364 1.00 2.45 H new ATOM 0 HE ARG A 84 -21.687 -24.001 -7.234 1.00 11.20 H new ATOM 0 HH11 ARG A 84 -18.699 -25.010 -8.817 1.00 74.14 H new ATOM 0 HH12 ARG A 84 -19.177 -26.709 -8.896 1.00 74.14 H new ATOM 0 HH21 ARG A 84 -22.296 -26.186 -7.337 1.00 42.54 H new ATOM 0 HH22 ARG A 84 -21.206 -27.372 -8.062 1.00 42.54 H new ATOM 1412 N GLN A 85 -22.342 -19.733 -11.650 1.00 4.11 N ATOM 1413 CA GLN A 85 -23.515 -19.483 -12.479 1.00 1.00 C ATOM 1414 C GLN A 85 -23.112 -19.215 -13.925 1.00 11.30 C ATOM 1415 O GLN A 85 -23.573 -19.894 -14.845 1.00 13.51 O ATOM 1416 CB GLN A 85 -24.309 -18.297 -11.931 1.00 11.24 C ATOM 1417 CG GLN A 85 -25.644 -18.083 -12.628 1.00 1.04 C ATOM 1418 CD GLN A 85 -26.426 -19.370 -12.796 1.00 33.42 C ATOM 1419 OE1 GLN A 85 -26.775 -20.031 -11.818 1.00 32.53 O ATOM 1420 NE2 GLN A 85 -26.708 -19.733 -14.042 1.00 23.30 N ATOM 0 H GLN A 85 -22.274 -19.138 -10.824 1.00 4.11 H new ATOM 0 HA GLN A 85 -24.143 -20.374 -12.455 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -24.485 -18.449 -10.866 1.00 11.24 H new ATOM 0 HB3 GLN A 85 -23.709 -17.392 -12.029 1.00 11.24 H new ATOM 0 HG2 GLN A 85 -26.239 -17.373 -12.055 1.00 1.04 H new ATOM 0 HG3 GLN A 85 -25.471 -17.637 -13.607 1.00 1.04 H new ATOM 0 HE21 GLN A 85 -26.399 -19.155 -14.824 1.00 23.30 H new ATOM 0 HE22 GLN A 85 -27.233 -20.590 -14.217 1.00 23.30 H new ATOM 1429 N LEU A 86 -22.251 -18.223 -14.120 1.00 55.15 N ATOM 1430 CA LEU A 86 -21.787 -17.865 -15.456 1.00 61.11 C ATOM 1431 C LEU A 86 -20.697 -18.822 -15.928 1.00 44.23 C ATOM 1432 O LEU A 86 -20.309 -18.810 -17.096 1.00 51.41 O ATOM 1433 CB LEU A 86 -21.260 -16.429 -15.467 1.00 12.11 C ATOM 1434 CG LEU A 86 -22.303 -15.332 -15.684 1.00 71.31 C ATOM 1435 CD1 LEU A 86 -23.458 -15.494 -14.709 1.00 11.52 C ATOM 1436 CD2 LEU A 86 -21.670 -13.957 -15.540 1.00 3.10 C ATOM 0 H LEU A 86 -21.860 -17.652 -13.371 1.00 55.15 H new ATOM 0 HA LEU A 86 -22.633 -17.940 -16.140 1.00 61.11 H new ATOM 0 HB2 LEU A 86 -20.756 -16.241 -14.519 1.00 12.11 H new ATOM 0 HB3 LEU A 86 -20.506 -16.346 -16.250 1.00 12.11 H new ATOM 0 HG LEU A 86 -22.694 -15.425 -16.697 1.00 71.31 H new ATOM 0 HD11 LEU A 86 -24.190 -14.705 -14.878 1.00 11.52 H new ATOM 0 HD12 LEU A 86 -23.929 -16.465 -14.861 1.00 11.52 H new ATOM 0 HD13 LEU A 86 -23.084 -15.429 -13.687 1.00 11.52 H new ATOM 0 HD21 LEU A 86 -22.428 -13.189 -15.698 1.00 3.10 H new ATOM 0 HD22 LEU A 86 -21.251 -13.853 -14.539 1.00 3.10 H new ATOM 0 HD23 LEU A 86 -20.877 -13.842 -16.279 1.00 3.10 H new ATOM 1448 N GLY A 87 -20.207 -19.652 -15.013 1.00 1.12 N ATOM 1449 CA GLY A 87 -19.168 -20.605 -15.355 1.00 34.22 C ATOM 1450 C GLY A 87 -17.842 -19.936 -15.652 1.00 51.11 C ATOM 1451 O GLY A 87 -16.975 -20.521 -16.301 1.00 63.03 O ATOM 0 H GLY A 87 -20.511 -19.681 -14.040 1.00 1.12 H new ATOM 0 HA2 GLY A 87 -19.040 -21.309 -14.533 1.00 34.22 H new ATOM 0 HA3 GLY A 87 -19.482 -21.184 -16.224 1.00 34.22 H new ATOM 1455 N ARG A 88 -17.683 -18.704 -15.179 1.00 31.10 N ATOM 1456 CA ARG A 88 -16.453 -17.952 -15.401 1.00 35.43 C ATOM 1457 C ARG A 88 -15.278 -18.609 -14.681 1.00 41.31 C ATOM 1458 O ARG A 88 -15.448 -19.364 -13.724 1.00 44.20 O ATOM 1459 CB ARG A 88 -16.618 -16.510 -14.920 1.00 41.40 C ATOM 1460 CG ARG A 88 -17.481 -15.658 -15.836 1.00 52.34 C ATOM 1461 CD ARG A 88 -16.788 -15.388 -17.162 1.00 51.05 C ATOM 1462 NE ARG A 88 -17.336 -14.216 -17.839 1.00 35.11 N ATOM 1463 CZ ARG A 88 -17.045 -13.888 -19.093 1.00 52.02 C ATOM 1464 NH1 ARG A 88 -16.215 -14.640 -19.802 1.00 54.35 N ATOM 1465 NH2 ARG A 88 -17.585 -12.807 -19.640 1.00 2.34 N ATOM 0 H ARG A 88 -18.391 -18.205 -14.640 1.00 31.10 H new ATOM 0 HA ARG A 88 -16.246 -17.949 -16.471 1.00 35.43 H new ATOM 0 HB2 ARG A 88 -17.058 -16.517 -13.923 1.00 41.40 H new ATOM 0 HB3 ARG A 88 -15.634 -16.051 -14.831 1.00 41.40 H new ATOM 0 HG2 ARG A 88 -18.430 -16.163 -16.016 1.00 52.34 H new ATOM 0 HG3 ARG A 88 -17.711 -14.712 -15.345 1.00 52.34 H new ATOM 0 HD2 ARG A 88 -15.722 -15.241 -16.990 1.00 51.05 H new ATOM 0 HD3 ARG A 88 -16.890 -16.260 -17.808 1.00 51.05 H new ATOM 0 HE ARG A 88 -17.978 -13.616 -17.320 1.00 35.11 H new ATOM 0 HH11 ARG A 88 -15.798 -15.472 -19.385 1.00 54.35 H new ATOM 0 HH12 ARG A 88 -15.993 -14.386 -20.765 1.00 54.35 H new ATOM 0 HH21 ARG A 88 -18.225 -12.226 -19.098 1.00 2.34 H new ATOM 0 HH22 ARG A 88 -17.361 -12.556 -20.603 1.00 2.34 H new ATOM 1479 N PRO A 89 -14.057 -18.314 -15.152 1.00 34.02 N ATOM 1480 CA PRO A 89 -12.830 -18.865 -14.569 1.00 53.40 C ATOM 1481 C PRO A 89 -12.541 -18.296 -13.184 1.00 1.24 C ATOM 1482 O PRO A 89 -11.523 -18.617 -12.572 1.00 22.41 O ATOM 1483 CB PRO A 89 -11.744 -18.440 -15.560 1.00 54.32 C ATOM 1484 CG PRO A 89 -12.292 -17.222 -16.222 1.00 21.05 C ATOM 1485 CD PRO A 89 -13.781 -17.422 -16.290 1.00 71.12 C ATOM 0 HA PRO A 89 -12.895 -19.943 -14.425 1.00 53.40 H new ATOM 0 HB2 PRO A 89 -10.805 -18.225 -15.050 1.00 54.32 H new ATOM 0 HB3 PRO A 89 -11.540 -19.227 -16.286 1.00 54.32 H new ATOM 0 HG2 PRO A 89 -12.044 -16.325 -15.655 1.00 21.05 H new ATOM 0 HG3 PRO A 89 -11.869 -17.096 -17.219 1.00 21.05 H new ATOM 0 HD2 PRO A 89 -14.318 -16.478 -16.200 1.00 71.12 H new ATOM 0 HD3 PRO A 89 -14.083 -17.872 -17.236 1.00 71.12 H new ATOM 1493 N GLU A 90 -13.442 -17.449 -12.697 1.00 13.30 N ATOM 1494 CA GLU A 90 -13.282 -16.836 -11.383 1.00 44.44 C ATOM 1495 C GLU A 90 -12.260 -15.703 -11.434 1.00 14.32 C ATOM 1496 O GLU A 90 -12.572 -14.557 -11.110 1.00 70.03 O ATOM 1497 CB GLU A 90 -12.848 -17.883 -10.356 1.00 2.22 C ATOM 1498 CG GLU A 90 -13.439 -17.661 -8.974 1.00 5.33 C ATOM 1499 CD GLU A 90 -12.687 -18.410 -7.891 1.00 1.40 C ATOM 1500 OE1 GLU A 90 -11.726 -19.133 -8.227 1.00 55.01 O ATOM 1501 OE2 GLU A 90 -13.061 -18.272 -6.707 1.00 61.43 O ATOM 0 H GLU A 90 -14.290 -17.172 -13.192 1.00 13.30 H new ATOM 0 HA GLU A 90 -14.245 -16.422 -11.083 1.00 44.44 H new ATOM 0 HB2 GLU A 90 -13.139 -18.871 -10.712 1.00 2.22 H new ATOM 0 HB3 GLU A 90 -11.761 -17.878 -10.282 1.00 2.22 H new ATOM 0 HG2 GLU A 90 -13.431 -16.595 -8.746 1.00 5.33 H new ATOM 0 HG3 GLU A 90 -14.482 -17.979 -8.973 1.00 5.33 H new ATOM 1508 N SER A 91 -11.039 -16.032 -11.842 1.00 74.21 N ATOM 1509 CA SER A 91 -9.970 -15.045 -11.931 1.00 23.44 C ATOM 1510 C SER A 91 -10.428 -13.818 -12.713 1.00 23.43 C ATOM 1511 O SER A 91 -9.980 -12.700 -12.455 1.00 10.10 O ATOM 1512 CB SER A 91 -8.736 -15.657 -12.597 1.00 73.11 C ATOM 1513 OG SER A 91 -7.708 -14.693 -12.750 1.00 12.02 O ATOM 0 H SER A 91 -10.765 -16.975 -12.116 1.00 74.21 H new ATOM 0 HA SER A 91 -9.711 -14.734 -10.919 1.00 23.44 H new ATOM 0 HB2 SER A 91 -8.371 -16.491 -11.997 1.00 73.11 H new ATOM 0 HB3 SER A 91 -9.008 -16.061 -13.572 1.00 73.11 H new ATOM 0 HG SER A 91 -6.930 -15.109 -13.176 1.00 12.02 H new ATOM 1519 N THR A 92 -11.324 -14.034 -13.670 1.00 72.52 N ATOM 1520 CA THR A 92 -11.843 -12.947 -14.492 1.00 24.41 C ATOM 1521 C THR A 92 -12.776 -12.049 -13.688 1.00 71.04 C ATOM 1522 O THR A 92 -12.734 -10.825 -13.814 1.00 51.52 O ATOM 1523 CB THR A 92 -12.597 -13.484 -15.722 1.00 10.42 C ATOM 1524 OG1 THR A 92 -11.715 -14.263 -16.538 1.00 22.04 O ATOM 1525 CG2 THR A 92 -13.177 -12.342 -16.542 1.00 12.44 C ATOM 0 H THR A 92 -11.706 -14.952 -13.896 1.00 72.52 H new ATOM 0 HA THR A 92 -10.984 -12.366 -14.828 1.00 24.41 H new ATOM 0 HB THR A 92 -13.416 -14.112 -15.372 1.00 10.42 H new ATOM 0 HG1 THR A 92 -12.204 -14.602 -17.317 1.00 22.04 H new ATOM 0 HG21 THR A 92 -13.705 -12.746 -17.406 1.00 12.44 H new ATOM 0 HG22 THR A 92 -13.871 -11.769 -15.928 1.00 12.44 H new ATOM 0 HG23 THR A 92 -12.371 -11.692 -16.881 1.00 12.44 H new ATOM 1533 N ILE A 93 -13.616 -12.664 -12.864 1.00 12.14 N ATOM 1534 CA ILE A 93 -14.559 -11.918 -12.039 1.00 21.34 C ATOM 1535 C ILE A 93 -13.854 -10.813 -11.261 1.00 45.03 C ATOM 1536 O ILE A 93 -14.371 -9.703 -11.133 1.00 44.22 O ATOM 1537 CB ILE A 93 -15.291 -12.841 -11.047 1.00 12.22 C ATOM 1538 CG1 ILE A 93 -16.099 -13.899 -11.802 1.00 71.01 C ATOM 1539 CG2 ILE A 93 -16.198 -12.027 -10.136 1.00 64.21 C ATOM 1540 CD1 ILE A 93 -17.279 -13.332 -12.561 1.00 24.21 C ATOM 0 H ILE A 93 -13.664 -13.676 -12.749 1.00 12.14 H new ATOM 0 HA ILE A 93 -15.288 -11.474 -12.716 1.00 21.34 H new ATOM 0 HB ILE A 93 -14.549 -13.348 -10.431 1.00 12.22 H new ATOM 0 HG12 ILE A 93 -15.442 -14.415 -12.502 1.00 71.01 H new ATOM 0 HG13 ILE A 93 -16.458 -14.645 -11.093 1.00 71.01 H new ATOM 0 HG21 ILE A 93 -16.708 -12.694 -9.441 1.00 64.21 H new ATOM 0 HG22 ILE A 93 -15.600 -11.307 -9.576 1.00 64.21 H new ATOM 0 HG23 ILE A 93 -16.936 -11.496 -10.737 1.00 64.21 H new ATOM 0 HD11 ILE A 93 -17.805 -14.139 -13.072 1.00 24.21 H new ATOM 0 HD12 ILE A 93 -17.958 -12.840 -11.864 1.00 24.21 H new ATOM 0 HD13 ILE A 93 -16.926 -12.608 -13.295 1.00 24.21 H new ATOM 1552 N TYR A 94 -12.670 -11.123 -10.744 1.00 51.43 N ATOM 1553 CA TYR A 94 -11.893 -10.156 -9.979 1.00 4.55 C ATOM 1554 C TYR A 94 -11.547 -8.938 -10.830 1.00 12.51 C ATOM 1555 O TYR A 94 -11.542 -7.807 -10.343 1.00 44.23 O ATOM 1556 CB TYR A 94 -10.612 -10.802 -9.449 1.00 74.32 C ATOM 1557 CG TYR A 94 -10.816 -11.604 -8.184 1.00 3.41 C ATOM 1558 CD1 TYR A 94 -11.335 -12.892 -8.230 1.00 20.04 C ATOM 1559 CD2 TYR A 94 -10.492 -11.072 -6.941 1.00 71.43 C ATOM 1560 CE1 TYR A 94 -11.524 -13.627 -7.076 1.00 73.41 C ATOM 1561 CE2 TYR A 94 -10.677 -11.801 -5.782 1.00 45.14 C ATOM 1562 CZ TYR A 94 -11.193 -13.079 -5.855 1.00 5.33 C ATOM 1563 OH TYR A 94 -11.379 -13.807 -4.703 1.00 22.22 O ATOM 0 H TYR A 94 -12.228 -12.037 -10.841 1.00 51.43 H new ATOM 0 HA TYR A 94 -12.501 -9.827 -9.136 1.00 4.55 H new ATOM 0 HB2 TYR A 94 -10.198 -11.453 -10.219 1.00 74.32 H new ATOM 0 HB3 TYR A 94 -9.874 -10.023 -9.260 1.00 74.32 H new ATOM 0 HD1 TYR A 94 -11.595 -13.326 -9.184 1.00 20.04 H new ATOM 0 HD2 TYR A 94 -10.089 -10.072 -6.880 1.00 71.43 H new ATOM 0 HE1 TYR A 94 -11.929 -14.627 -7.130 1.00 73.41 H new ATOM 0 HE2 TYR A 94 -10.419 -11.373 -4.824 1.00 45.14 H new ATOM 0 HH TYR A 94 -11.094 -13.275 -3.931 1.00 22.22 H new