USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 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 Set 1.1: A 28 SER OG : rot -31:sc= 1.06 USER MOD Set 1.2: A 30 ASN :FLIP amide:sc= -1.93! C(o=-2.7!,f=-0.86!) 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 29 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.019) 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+ -164:sc= -0.0965 (180deg=-0.488) 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 26:sc= 0.583 USER MOD Single : A 68 THR OG1 : rot 63:sc= 1.28 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= -0.622 K(o=-0.62,f=-3.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.168 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 -0.666 4.017 -3.908 1.00 13.40 N ATOM 178 CA LYS A 13 -0.924 4.454 -5.275 1.00 33.03 C ATOM 179 C LYS A 13 -1.138 3.258 -6.197 1.00 14.33 C ATOM 180 O LYS A 13 -1.937 3.318 -7.133 1.00 54.12 O ATOM 181 CB LYS A 13 0.238 5.306 -5.789 1.00 32.22 C ATOM 182 CG LYS A 13 -0.088 6.787 -5.882 1.00 41.42 C ATOM 183 CD LYS A 13 1.173 7.633 -5.928 1.00 1.31 C ATOM 184 CE LYS A 13 1.170 8.576 -7.122 1.00 32.52 C ATOM 185 NZ LYS A 13 0.194 9.688 -6.947 1.00 31.22 N ATOM 0 HA LYS A 13 -1.833 5.056 -5.272 1.00 33.03 H new ATOM 0 HB2 LYS A 13 1.095 5.172 -5.129 1.00 32.22 H new ATOM 0 HB3 LYS A 13 0.534 4.945 -6.774 1.00 32.22 H new ATOM 0 HG2 LYS A 13 -0.685 6.974 -6.774 1.00 41.42 H new ATOM 0 HG3 LYS A 13 -0.694 7.082 -5.025 1.00 41.42 H new ATOM 0 HD2 LYS A 13 1.258 8.210 -5.007 1.00 1.31 H new ATOM 0 HD3 LYS A 13 2.047 6.983 -5.979 1.00 1.31 H new ATOM 0 HE2 LYS A 13 2.169 8.988 -7.262 1.00 32.52 H new ATOM 0 HE3 LYS A 13 0.926 8.017 -8.026 1.00 32.52 H new ATOM 0 HZ1 LYS A 13 0.222 10.309 -7.781 1.00 31.22 H new ATOM 0 HZ2 LYS A 13 -0.763 9.296 -6.839 1.00 31.22 H new ATOM 0 HZ3 LYS A 13 0.441 10.237 -6.099 1.00 31.22 H new ATOM 199 N LEU A 14 -0.422 2.173 -5.926 1.00 10.43 N ATOM 200 CA LEU A 14 -0.534 0.962 -6.731 1.00 73.43 C ATOM 201 C LEU A 14 -1.872 0.270 -6.490 1.00 32.54 C ATOM 202 O LEU A 14 -2.614 -0.016 -7.429 1.00 55.25 O ATOM 203 CB LEU A 14 0.614 0.003 -6.409 1.00 52.22 C ATOM 204 CG LEU A 14 1.854 0.120 -7.297 1.00 34.12 C ATOM 205 CD1 LEU A 14 1.560 -0.400 -8.696 1.00 21.44 C ATOM 206 CD2 LEU A 14 2.336 1.562 -7.353 1.00 30.52 C ATOM 0 H LEU A 14 0.242 2.107 -5.155 1.00 10.43 H new ATOM 0 HA LEU A 14 -0.477 1.247 -7.781 1.00 73.43 H new ATOM 0 HB2 LEU A 14 0.916 0.164 -5.374 1.00 52.22 H new ATOM 0 HB3 LEU A 14 0.238 -1.018 -6.476 1.00 52.22 H new ATOM 0 HG LEU A 14 2.646 -0.490 -6.864 1.00 34.12 H new ATOM 0 HD11 LEU A 14 2.454 -0.309 -9.313 1.00 21.44 H new ATOM 0 HD12 LEU A 14 1.263 -1.447 -8.640 1.00 21.44 H new ATOM 0 HD13 LEU A 14 0.752 0.183 -9.139 1.00 21.44 H new ATOM 0 HD21 LEU A 14 3.219 1.626 -7.989 1.00 30.52 H new ATOM 0 HD22 LEU A 14 1.547 2.194 -7.762 1.00 30.52 H new ATOM 0 HD23 LEU A 14 2.588 1.901 -6.348 1.00 30.52 H new ATOM 218 N TYR A 15 -2.175 0.005 -5.223 1.00 61.11 N ATOM 219 CA TYR A 15 -3.423 -0.654 -4.858 1.00 14.11 C ATOM 220 C TYR A 15 -4.626 0.159 -5.327 1.00 75.10 C ATOM 221 O TYR A 15 -5.511 -0.356 -6.011 1.00 53.13 O ATOM 222 CB TYR A 15 -3.492 -0.859 -3.343 1.00 51.12 C ATOM 223 CG TYR A 15 -4.776 -1.507 -2.878 1.00 72.12 C ATOM 224 CD1 TYR A 15 -4.895 -2.890 -2.815 1.00 35.11 C ATOM 225 CD2 TYR A 15 -5.869 -0.738 -2.500 1.00 12.33 C ATOM 226 CE1 TYR A 15 -6.067 -3.488 -2.391 1.00 3.50 C ATOM 227 CE2 TYR A 15 -7.044 -1.326 -2.073 1.00 34.51 C ATOM 228 CZ TYR A 15 -7.138 -2.701 -2.021 1.00 51.21 C ATOM 229 OH TYR A 15 -8.306 -3.292 -1.596 1.00 30.52 O ATOM 0 H TYR A 15 -1.573 0.237 -4.433 1.00 61.11 H new ATOM 0 HA TYR A 15 -3.449 -1.626 -5.351 1.00 14.11 H new ATOM 0 HB2 TYR A 15 -2.649 -1.475 -3.029 1.00 51.12 H new ATOM 0 HB3 TYR A 15 -3.382 0.106 -2.849 1.00 51.12 H new ATOM 0 HD1 TYR A 15 -4.057 -3.508 -3.102 1.00 35.11 H new ATOM 0 HD2 TYR A 15 -5.799 0.339 -2.541 1.00 12.33 H new ATOM 0 HE1 TYR A 15 -6.144 -4.564 -2.350 1.00 3.50 H new ATOM 0 HE2 TYR A 15 -7.884 -0.713 -1.782 1.00 34.51 H new ATOM 0 HH TYR A 15 -8.961 -2.598 -1.372 1.00 30.52 H new ATOM 239 N LYS A 16 -4.652 1.434 -4.956 1.00 2.42 N ATOM 240 CA LYS A 16 -5.743 2.322 -5.339 1.00 32.10 C ATOM 241 C LYS A 16 -5.851 2.429 -6.857 1.00 21.42 C ATOM 242 O LYS A 16 -6.895 2.802 -7.389 1.00 14.40 O ATOM 243 CB LYS A 16 -5.533 3.713 -4.733 1.00 73.33 C ATOM 244 CG LYS A 16 -4.475 4.534 -5.449 1.00 25.21 C ATOM 245 CD LYS A 16 -5.097 5.654 -6.266 1.00 42.23 C ATOM 246 CE LYS A 16 -4.037 6.471 -6.988 1.00 52.04 C ATOM 247 NZ LYS A 16 -4.641 7.465 -7.918 1.00 54.14 N ATOM 0 H LYS A 16 -3.928 1.876 -4.389 1.00 2.42 H new ATOM 0 HA LYS A 16 -6.672 1.901 -4.955 1.00 32.10 H new ATOM 0 HB2 LYS A 16 -6.478 4.256 -4.754 1.00 73.33 H new ATOM 0 HB3 LYS A 16 -5.250 3.605 -3.686 1.00 73.33 H new ATOM 0 HG2 LYS A 16 -3.784 4.955 -4.719 1.00 25.21 H new ATOM 0 HG3 LYS A 16 -3.891 3.886 -6.103 1.00 25.21 H new ATOM 0 HD2 LYS A 16 -5.792 5.233 -6.993 1.00 42.23 H new ATOM 0 HD3 LYS A 16 -5.677 6.305 -5.611 1.00 42.23 H new ATOM 0 HE2 LYS A 16 -3.417 6.988 -6.256 1.00 52.04 H new ATOM 0 HE3 LYS A 16 -3.381 5.803 -7.546 1.00 52.04 H new ATOM 0 HZ1 LYS A 16 -3.886 8.002 -8.391 1.00 54.14 H new ATOM 0 HZ2 LYS A 16 -5.213 6.970 -8.632 1.00 54.14 H new ATOM 0 HZ3 LYS A 16 -5.247 8.119 -7.382 1.00 54.14 H new ATOM 261 N ASP A 17 -4.766 2.095 -7.547 1.00 21.43 N ATOM 262 CA ASP A 17 -4.740 2.150 -9.004 1.00 21.03 C ATOM 263 C ASP A 17 -5.306 0.868 -9.606 1.00 73.24 C ATOM 264 O ASP A 17 -5.855 0.877 -10.707 1.00 44.01 O ATOM 265 CB ASP A 17 -3.311 2.375 -9.502 1.00 21.33 C ATOM 266 CG ASP A 17 -3.176 2.151 -10.995 1.00 12.11 C ATOM 267 OD1 ASP A 17 -3.159 0.977 -11.420 1.00 62.42 O ATOM 268 OD2 ASP A 17 -3.090 3.150 -11.739 1.00 61.44 O ATOM 0 H ASP A 17 -3.893 1.783 -7.121 1.00 21.43 H new ATOM 0 HA ASP A 17 -5.363 2.986 -9.323 1.00 21.03 H new ATOM 0 HB2 ASP A 17 -3.001 3.392 -9.261 1.00 21.33 H new ATOM 0 HB3 ASP A 17 -2.635 1.702 -8.974 1.00 21.33 H new ATOM 273 N GLY A 18 -5.166 -0.235 -8.877 1.00 51.32 N ATOM 274 CA GLY A 18 -5.667 -1.510 -9.356 1.00 33.23 C ATOM 275 C GLY A 18 -4.598 -2.584 -9.371 1.00 22.24 C ATOM 276 O GLY A 18 -4.434 -3.294 -10.364 1.00 5.55 O ATOM 0 H GLY A 18 -4.714 -0.268 -7.963 1.00 51.32 H new ATOM 0 HA2 GLY A 18 -6.493 -1.833 -8.723 1.00 33.23 H new ATOM 0 HA3 GLY A 18 -6.066 -1.385 -10.362 1.00 33.23 H new ATOM 280 N VAL A 19 -3.867 -2.705 -8.267 1.00 22.45 N ATOM 281 CA VAL A 19 -2.808 -3.701 -8.157 1.00 31.03 C ATOM 282 C VAL A 19 -3.068 -4.654 -6.994 1.00 41.55 C ATOM 283 O VAL A 19 -3.401 -4.241 -5.884 1.00 13.12 O ATOM 284 CB VAL A 19 -1.432 -3.036 -7.963 1.00 44.22 C ATOM 285 CG1 VAL A 19 -0.333 -4.087 -7.915 1.00 75.41 C ATOM 286 CG2 VAL A 19 -1.168 -2.028 -9.071 1.00 44.22 C ATOM 0 H VAL A 19 -3.989 -2.126 -7.436 1.00 22.45 H new ATOM 0 HA VAL A 19 -2.804 -4.264 -9.090 1.00 31.03 H new ATOM 0 HB VAL A 19 -1.435 -2.504 -7.011 1.00 44.22 H new ATOM 0 HG11 VAL A 19 0.632 -3.599 -7.778 1.00 75.41 H new ATOM 0 HG12 VAL A 19 -0.517 -4.768 -7.084 1.00 75.41 H new ATOM 0 HG13 VAL A 19 -0.326 -4.649 -8.849 1.00 75.41 H new ATOM 0 HG21 VAL A 19 -0.192 -1.567 -8.919 1.00 44.22 H new ATOM 0 HG22 VAL A 19 -1.183 -2.535 -10.036 1.00 44.22 H new ATOM 0 HG23 VAL A 19 -1.939 -1.258 -9.054 1.00 44.22 H new ATOM 296 N PRO A 20 -2.911 -5.960 -7.255 1.00 21.25 N ATOM 297 CA PRO A 20 -3.122 -6.999 -6.243 1.00 30.22 C ATOM 298 C PRO A 20 -2.046 -6.985 -5.163 1.00 52.54 C ATOM 299 O PRO A 20 -0.905 -6.595 -5.415 1.00 33.12 O ATOM 300 CB PRO A 20 -3.054 -8.299 -7.050 1.00 31.13 C ATOM 301 CG PRO A 20 -2.221 -7.964 -8.239 1.00 12.44 C ATOM 302 CD PRO A 20 -2.515 -6.523 -8.556 1.00 70.14 C ATOM 0 HA PRO A 20 -4.062 -6.862 -5.708 1.00 30.22 H new ATOM 0 HB2 PRO A 20 -2.606 -9.104 -6.467 1.00 31.13 H new ATOM 0 HB3 PRO A 20 -4.048 -8.634 -7.345 1.00 31.13 H new ATOM 0 HG2 PRO A 20 -1.162 -8.109 -8.027 1.00 12.44 H new ATOM 0 HG3 PRO A 20 -2.468 -8.608 -9.083 1.00 12.44 H new ATOM 0 HD2 PRO A 20 -1.641 -6.015 -8.964 1.00 70.14 H new ATOM 0 HD3 PRO A 20 -3.312 -6.429 -9.294 1.00 70.14 H new ATOM 310 N VAL A 21 -2.415 -7.413 -3.960 1.00 40.14 N ATOM 311 CA VAL A 21 -1.480 -7.451 -2.842 1.00 51.54 C ATOM 312 C VAL A 21 -0.197 -8.179 -3.224 1.00 3.10 C ATOM 313 O VAL A 21 0.906 -7.703 -2.952 1.00 23.14 O ATOM 314 CB VAL A 21 -2.103 -8.139 -1.613 1.00 63.15 C ATOM 315 CG1 VAL A 21 -1.139 -8.104 -0.436 1.00 42.11 C ATOM 316 CG2 VAL A 21 -3.425 -7.483 -1.249 1.00 75.42 C ATOM 0 H VAL A 21 -3.355 -7.738 -3.735 1.00 40.14 H new ATOM 0 HA VAL A 21 -1.245 -6.417 -2.589 1.00 51.54 H new ATOM 0 HB VAL A 21 -2.298 -9.182 -1.862 1.00 63.15 H new ATOM 0 HG11 VAL A 21 -1.596 -8.595 0.423 1.00 42.11 H new ATOM 0 HG12 VAL A 21 -0.219 -8.624 -0.704 1.00 42.11 H new ATOM 0 HG13 VAL A 21 -0.910 -7.069 -0.184 1.00 42.11 H new ATOM 0 HG21 VAL A 21 -3.851 -7.982 -0.379 1.00 75.42 H new ATOM 0 HG22 VAL A 21 -3.258 -6.431 -1.019 1.00 75.42 H new ATOM 0 HG23 VAL A 21 -4.115 -7.565 -2.088 1.00 75.42 H new ATOM 326 N LYS A 22 -0.346 -9.338 -3.857 1.00 34.42 N ATOM 327 CA LYS A 22 0.801 -10.134 -4.278 1.00 55.21 C ATOM 328 C LYS A 22 1.769 -9.297 -5.107 1.00 52.25 C ATOM 329 O LYS A 22 2.985 -9.422 -4.970 1.00 71.10 O ATOM 330 CB LYS A 22 0.335 -11.347 -5.088 1.00 52.34 C ATOM 331 CG LYS A 22 -0.418 -10.979 -6.355 1.00 11.02 C ATOM 332 CD LYS A 22 -1.541 -11.961 -6.641 1.00 23.01 C ATOM 333 CE LYS A 22 -1.083 -13.078 -7.567 1.00 24.35 C ATOM 334 NZ LYS A 22 -0.632 -14.277 -6.807 1.00 24.52 N ATOM 0 H LYS A 22 -1.251 -9.747 -4.090 1.00 34.42 H new ATOM 0 HA LYS A 22 1.321 -10.479 -3.384 1.00 55.21 H new ATOM 0 HB2 LYS A 22 1.203 -11.951 -5.353 1.00 52.34 H new ATOM 0 HB3 LYS A 22 -0.306 -11.967 -4.462 1.00 52.34 H new ATOM 0 HG2 LYS A 22 -0.828 -9.974 -6.256 1.00 11.02 H new ATOM 0 HG3 LYS A 22 0.273 -10.960 -7.198 1.00 11.02 H new ATOM 0 HD2 LYS A 22 -1.900 -12.388 -5.704 1.00 23.01 H new ATOM 0 HD3 LYS A 22 -2.381 -11.433 -7.093 1.00 23.01 H new ATOM 0 HE2 LYS A 22 -1.900 -13.356 -8.233 1.00 24.35 H new ATOM 0 HE3 LYS A 22 -0.268 -12.718 -8.195 1.00 24.35 H new ATOM 0 HZ1 LYS A 22 -0.328 -15.016 -7.473 1.00 24.52 H new ATOM 0 HZ2 LYS A 22 0.164 -14.018 -6.190 1.00 24.52 H new ATOM 0 HZ3 LYS A 22 -1.417 -14.636 -6.227 1.00 24.52 H new ATOM 348 N GLU A 23 1.220 -8.442 -5.966 1.00 22.42 N ATOM 349 CA GLU A 23 2.038 -7.584 -6.816 1.00 34.54 C ATOM 350 C GLU A 23 2.595 -6.406 -6.023 1.00 11.24 C ATOM 351 O GLU A 23 3.783 -6.094 -6.107 1.00 24.41 O ATOM 352 CB GLU A 23 1.216 -7.072 -8.001 1.00 64.11 C ATOM 353 CG GLU A 23 1.968 -6.088 -8.882 1.00 75.12 C ATOM 354 CD GLU A 23 3.116 -6.735 -9.632 1.00 65.54 C ATOM 355 OE1 GLU A 23 2.853 -7.617 -10.475 1.00 74.43 O ATOM 356 OE2 GLU A 23 4.279 -6.359 -9.374 1.00 53.14 O ATOM 0 H GLU A 23 0.214 -8.326 -6.091 1.00 22.42 H new ATOM 0 HA GLU A 23 2.874 -8.175 -7.190 1.00 34.54 H new ATOM 0 HB2 GLU A 23 0.899 -7.921 -8.607 1.00 64.11 H new ATOM 0 HB3 GLU A 23 0.312 -6.593 -7.626 1.00 64.11 H new ATOM 0 HG2 GLU A 23 1.276 -5.644 -9.598 1.00 75.12 H new ATOM 0 HG3 GLU A 23 2.354 -5.276 -8.266 1.00 75.12 H new ATOM 363 N ILE A 24 1.728 -5.754 -5.254 1.00 64.34 N ATOM 364 CA ILE A 24 2.135 -4.611 -4.446 1.00 35.53 C ATOM 365 C ILE A 24 3.311 -4.966 -3.543 1.00 54.13 C ATOM 366 O ILE A 24 4.237 -4.174 -3.374 1.00 2.14 O ATOM 367 CB ILE A 24 0.973 -4.095 -3.577 1.00 34.04 C ATOM 368 CG1 ILE A 24 -0.215 -3.700 -4.457 1.00 52.03 C ATOM 369 CG2 ILE A 24 1.427 -2.915 -2.731 1.00 30.23 C ATOM 370 CD1 ILE A 24 -1.540 -3.716 -3.728 1.00 30.31 C ATOM 0 H ILE A 24 0.741 -5.998 -5.174 1.00 64.34 H new ATOM 0 HA ILE A 24 2.437 -3.826 -5.139 1.00 35.53 H new ATOM 0 HB ILE A 24 0.656 -4.896 -2.909 1.00 34.04 H new ATOM 0 HG12 ILE A 24 -0.043 -2.701 -4.859 1.00 52.03 H new ATOM 0 HG13 ILE A 24 -0.269 -4.380 -5.307 1.00 52.03 H new ATOM 0 HG21 ILE A 24 0.594 -2.562 -2.123 1.00 30.23 H new ATOM 0 HG22 ILE A 24 2.245 -3.226 -2.081 1.00 30.23 H new ATOM 0 HG23 ILE A 24 1.768 -2.110 -3.382 1.00 30.23 H new ATOM 0 HD11 ILE A 24 -2.336 -3.426 -4.414 1.00 30.31 H new ATOM 0 HD12 ILE A 24 -1.735 -4.719 -3.350 1.00 30.31 H new ATOM 0 HD13 ILE A 24 -1.505 -3.014 -2.895 1.00 30.31 H new ATOM 382 N ALA A 25 3.268 -6.162 -2.967 1.00 32.23 N ATOM 383 CA ALA A 25 4.332 -6.624 -2.084 1.00 53.22 C ATOM 384 C ALA A 25 5.683 -6.598 -2.792 1.00 12.23 C ATOM 385 O ALA A 25 6.676 -6.124 -2.239 1.00 33.33 O ATOM 386 CB ALA A 25 4.027 -8.026 -1.578 1.00 1.23 C ATOM 0 H ALA A 25 2.507 -6.829 -3.096 1.00 32.23 H new ATOM 0 HA ALA A 25 4.384 -5.945 -1.233 1.00 53.22 H new ATOM 0 HB1 ALA A 25 4.830 -8.358 -0.920 1.00 1.23 H new ATOM 0 HB2 ALA A 25 3.086 -8.017 -1.027 1.00 1.23 H new ATOM 0 HB3 ALA A 25 3.946 -8.708 -2.424 1.00 1.23 H new ATOM 392 N LYS A 26 5.713 -7.109 -4.018 1.00 4.14 N ATOM 393 CA LYS A 26 6.942 -7.144 -4.802 1.00 53.51 C ATOM 394 C LYS A 26 7.345 -5.740 -5.244 1.00 11.53 C ATOM 395 O LYS A 26 8.530 -5.442 -5.390 1.00 11.01 O ATOM 396 CB LYS A 26 6.764 -8.043 -6.027 1.00 63.53 C ATOM 397 CG LYS A 26 6.256 -9.435 -5.690 1.00 20.12 C ATOM 398 CD LYS A 26 7.157 -10.128 -4.681 1.00 73.31 C ATOM 399 CE LYS A 26 6.717 -11.564 -4.435 1.00 51.44 C ATOM 400 NZ LYS A 26 7.359 -12.140 -3.223 1.00 44.02 N ATOM 0 H LYS A 26 4.900 -7.505 -4.490 1.00 4.14 H new ATOM 0 HA LYS A 26 7.734 -7.550 -4.172 1.00 53.51 H new ATOM 0 HB2 LYS A 26 6.067 -7.568 -6.718 1.00 63.53 H new ATOM 0 HB3 LYS A 26 7.719 -8.129 -6.546 1.00 63.53 H new ATOM 0 HG2 LYS A 26 5.244 -9.367 -5.290 1.00 20.12 H new ATOM 0 HG3 LYS A 26 6.199 -10.033 -6.600 1.00 20.12 H new ATOM 0 HD2 LYS A 26 8.185 -10.118 -5.043 1.00 73.31 H new ATOM 0 HD3 LYS A 26 7.144 -9.576 -3.741 1.00 73.31 H new ATOM 0 HE2 LYS A 26 5.633 -11.598 -4.323 1.00 51.44 H new ATOM 0 HE3 LYS A 26 6.967 -12.174 -5.303 1.00 51.44 H new ATOM 0 HZ1 LYS A 26 7.034 -13.119 -3.090 1.00 44.02 H new ATOM 0 HZ2 LYS A 26 8.392 -12.131 -3.340 1.00 44.02 H new ATOM 0 HZ3 LYS A 26 7.100 -11.573 -2.390 1.00 44.02 H new ATOM 414 N ARG A 27 6.351 -4.882 -5.453 1.00 40.24 N ATOM 415 CA ARG A 27 6.603 -3.511 -5.878 1.00 51.02 C ATOM 416 C ARG A 27 7.231 -2.698 -4.749 1.00 74.35 C ATOM 417 O ARG A 27 8.247 -2.032 -4.942 1.00 12.21 O ATOM 418 CB ARG A 27 5.302 -2.849 -6.335 1.00 1.22 C ATOM 419 CG ARG A 27 4.639 -3.554 -7.507 1.00 54.43 C ATOM 420 CD ARG A 27 5.008 -2.901 -8.830 1.00 71.21 C ATOM 421 NE ARG A 27 6.129 -3.576 -9.479 1.00 71.24 N ATOM 422 CZ ARG A 27 6.729 -3.121 -10.573 1.00 14.34 C ATOM 423 NH1 ARG A 27 6.317 -1.993 -11.137 1.00 53.12 N ATOM 424 NH2 ARG A 27 7.743 -3.791 -11.104 1.00 30.40 N ATOM 0 H ARG A 27 5.364 -5.113 -5.335 1.00 40.24 H new ATOM 0 HA ARG A 27 7.302 -3.539 -6.714 1.00 51.02 H new ATOM 0 HB2 ARG A 27 4.605 -2.821 -5.497 1.00 1.22 H new ATOM 0 HB3 ARG A 27 5.508 -1.815 -6.613 1.00 1.22 H new ATOM 0 HG2 ARG A 27 4.940 -4.602 -7.520 1.00 54.43 H new ATOM 0 HG3 ARG A 27 3.557 -3.535 -7.380 1.00 54.43 H new ATOM 0 HD2 ARG A 27 4.144 -2.913 -9.494 1.00 71.21 H new ATOM 0 HD3 ARG A 27 5.264 -1.855 -8.659 1.00 71.21 H new ATOM 0 HE ARG A 27 6.470 -4.445 -9.069 1.00 71.24 H new ATOM 0 HH11 ARG A 27 5.539 -1.474 -10.730 1.00 53.12 H new ATOM 0 HH12 ARG A 27 6.779 -1.645 -11.977 1.00 53.12 H new ATOM 0 HH21 ARG A 27 8.064 -4.658 -10.672 1.00 30.40 H new ATOM 0 HH22 ARG A 27 8.202 -3.440 -11.944 1.00 30.40 H new ATOM 438 N SER A 28 6.617 -2.759 -3.572 1.00 2.21 N ATOM 439 CA SER A 28 7.113 -2.026 -2.413 1.00 1.25 C ATOM 440 C SER A 28 8.145 -2.850 -1.650 1.00 51.20 C ATOM 441 O SER A 28 8.657 -2.422 -0.616 1.00 12.01 O ATOM 442 CB SER A 28 5.955 -1.653 -1.486 1.00 20.45 C ATOM 443 OG SER A 28 6.427 -1.016 -0.311 1.00 11.13 O ATOM 0 H SER A 28 5.776 -3.308 -3.396 1.00 2.21 H new ATOM 0 HA SER A 28 7.593 -1.114 -2.769 1.00 1.25 H new ATOM 0 HB2 SER A 28 5.264 -0.992 -2.010 1.00 20.45 H new ATOM 0 HB3 SER A 28 5.396 -2.550 -1.218 1.00 20.45 H new ATOM 0 HG SER A 28 7.316 -1.361 -0.087 1.00 11.13 H new ATOM 449 N ASN A 29 8.447 -4.036 -2.168 1.00 41.44 N ATOM 450 CA ASN A 29 9.419 -4.922 -1.537 1.00 14.40 C ATOM 451 C ASN A 29 9.004 -5.251 -0.105 1.00 51.45 C ATOM 452 O ASN A 29 9.848 -5.516 0.749 1.00 31.45 O ATOM 453 CB ASN A 29 10.807 -4.278 -1.543 1.00 11.52 C ATOM 454 CG ASN A 29 11.131 -3.614 -2.868 1.00 31.42 C ATOM 455 OD1 ASN A 29 11.288 -2.396 -2.942 1.00 55.11 O ATOM 456 ND2 ASN A 29 11.231 -4.416 -3.921 1.00 54.13 N ATOM 0 H ASN A 29 8.033 -4.406 -3.023 1.00 41.44 H new ATOM 0 HA ASN A 29 9.454 -5.849 -2.109 1.00 14.40 H new ATOM 0 HB2 ASN A 29 10.864 -3.538 -0.745 1.00 11.52 H new ATOM 0 HB3 ASN A 29 11.558 -5.038 -1.327 1.00 11.52 H new ATOM 0 HD21 ASN A 29 11.446 -4.028 -4.839 1.00 54.13 H new ATOM 0 HD22 ASN A 29 11.093 -5.421 -3.812 1.00 54.13 H new ATOM 463 N ASN A 30 7.700 -5.230 0.147 1.00 54.15 N ATOM 464 CA ASN A 30 7.173 -5.527 1.474 1.00 5.44 C ATOM 465 C ASN A 30 6.504 -6.898 1.501 1.00 12.32 C ATOM 466 O ASN A 30 6.459 -7.597 0.489 1.00 42.44 O ATOM 467 CB ASN A 30 6.174 -4.449 1.900 1.00 32.54 C ATOM 468 CG ASN A 30 6.810 -3.376 2.761 1.00 44.34 C ATOM 469 OD1 ASN A 30 7.473 -3.794 3.834 1.00 45.52 O flip ATOM 470 ND2 ASN A 30 6.709 -2.186 2.464 1.00 43.10 N flip ATOM 0 H ASN A 30 6.988 -5.010 -0.550 1.00 54.15 H new ATOM 0 HA ASN A 30 8.007 -5.538 2.175 1.00 5.44 H new ATOM 0 HB2 ASN A 30 5.741 -3.988 1.012 1.00 32.54 H new ATOM 0 HB3 ASN A 30 5.355 -4.914 2.450 1.00 32.54 H new ATOM 0 HD21 ASN A 30 6.190 -1.911 1.630 1.00 43.10 H new ATOM 0 HD22 ASN A 30 7.144 -1.475 3.052 1.00 43.10 H new ATOM 477 N SER A 31 5.985 -7.273 2.665 1.00 31.53 N ATOM 478 CA SER A 31 5.321 -8.562 2.825 1.00 55.12 C ATOM 479 C SER A 31 3.804 -8.403 2.764 1.00 42.50 C ATOM 480 O SER A 31 3.276 -7.310 2.965 1.00 40.01 O ATOM 481 CB SER A 31 5.724 -9.206 4.152 1.00 61.03 C ATOM 482 OG SER A 31 5.832 -10.614 4.024 1.00 42.24 O ATOM 0 H SER A 31 6.011 -6.704 3.511 1.00 31.53 H new ATOM 0 HA SER A 31 5.635 -9.209 2.005 1.00 55.12 H new ATOM 0 HB2 SER A 31 6.676 -8.794 4.485 1.00 61.03 H new ATOM 0 HB3 SER A 31 4.986 -8.963 4.917 1.00 61.03 H new ATOM 0 HG SER A 31 6.092 -11.002 4.886 1.00 42.24 H new ATOM 488 N MET A 32 3.111 -9.502 2.485 1.00 51.24 N ATOM 489 CA MET A 32 1.656 -9.485 2.398 1.00 73.11 C ATOM 490 C MET A 32 1.041 -8.920 3.675 1.00 51.01 C ATOM 491 O MET A 32 -0.021 -8.300 3.642 1.00 34.40 O ATOM 492 CB MET A 32 1.122 -10.895 2.142 1.00 61.52 C ATOM 493 CG MET A 32 0.557 -11.088 0.745 1.00 14.11 C ATOM 494 SD MET A 32 -0.959 -12.066 0.736 1.00 4.44 S ATOM 495 CE MET A 32 -1.159 -12.365 -1.018 1.00 64.24 C ATOM 0 H MET A 32 3.533 -10.415 2.315 1.00 51.24 H new ATOM 0 HA MET A 32 1.375 -8.841 1.565 1.00 73.11 H new ATOM 0 HB2 MET A 32 1.926 -11.613 2.302 1.00 61.52 H new ATOM 0 HB3 MET A 32 0.345 -11.118 2.873 1.00 61.52 H new ATOM 0 HG2 MET A 32 0.358 -10.113 0.300 1.00 14.11 H new ATOM 0 HG3 MET A 32 1.304 -11.577 0.120 1.00 14.11 H new ATOM 0 HE1 MET A 32 -2.057 -12.960 -1.186 1.00 64.24 H new ATOM 0 HE2 MET A 32 -1.251 -11.413 -1.541 1.00 64.24 H new ATOM 0 HE3 MET A 32 -0.291 -12.904 -1.397 1.00 64.24 H new ATOM 505 N SER A 33 1.718 -9.138 4.798 1.00 71.54 N ATOM 506 CA SER A 33 1.236 -8.654 6.087 1.00 73.30 C ATOM 507 C SER A 33 1.539 -7.169 6.257 1.00 75.10 C ATOM 508 O SER A 33 0.866 -6.468 7.013 1.00 14.43 O ATOM 509 CB SER A 33 1.875 -9.450 7.226 1.00 65.10 C ATOM 510 OG SER A 33 0.913 -10.245 7.896 1.00 33.03 O ATOM 0 H SER A 33 2.601 -9.646 4.842 1.00 71.54 H new ATOM 0 HA SER A 33 0.155 -8.793 6.118 1.00 73.30 H new ATOM 0 HB2 SER A 33 2.665 -10.087 6.829 1.00 65.10 H new ATOM 0 HB3 SER A 33 2.343 -8.766 7.934 1.00 65.10 H new ATOM 0 HG SER A 33 1.348 -10.745 8.618 1.00 33.03 H new ATOM 516 N THR A 34 2.558 -6.694 5.547 1.00 31.11 N ATOM 517 CA THR A 34 2.952 -5.292 5.619 1.00 72.30 C ATOM 518 C THR A 34 2.117 -4.437 4.673 1.00 71.44 C ATOM 519 O THR A 34 1.564 -3.412 5.071 1.00 14.01 O ATOM 520 CB THR A 34 4.443 -5.110 5.277 1.00 31.34 C ATOM 521 OG1 THR A 34 5.242 -5.961 6.105 1.00 44.13 O ATOM 522 CG2 THR A 34 4.868 -3.663 5.468 1.00 5.45 C ATOM 0 H THR A 34 3.125 -7.260 4.916 1.00 31.11 H new ATOM 0 HA THR A 34 2.780 -4.967 6.645 1.00 72.30 H new ATOM 0 HB THR A 34 4.590 -5.380 4.231 1.00 31.34 H new ATOM 0 HG1 THR A 34 6.188 -5.841 5.881 1.00 44.13 H new ATOM 0 HG21 THR A 34 5.924 -3.558 5.221 1.00 5.45 H new ATOM 0 HG22 THR A 34 4.277 -3.021 4.815 1.00 5.45 H new ATOM 0 HG23 THR A 34 4.708 -3.371 6.506 1.00 5.45 H new ATOM 530 N VAL A 35 2.028 -4.865 3.417 1.00 5.21 N ATOM 531 CA VAL A 35 1.259 -4.139 2.414 1.00 4.43 C ATOM 532 C VAL A 35 -0.222 -4.106 2.775 1.00 41.00 C ATOM 533 O VAL A 35 -0.821 -3.037 2.885 1.00 2.31 O ATOM 534 CB VAL A 35 1.422 -4.768 1.018 1.00 52.32 C ATOM 535 CG1 VAL A 35 0.318 -4.291 0.085 1.00 65.44 C ATOM 536 CG2 VAL A 35 2.793 -4.443 0.444 1.00 51.42 C ATOM 0 H VAL A 35 2.480 -5.711 3.070 1.00 5.21 H new ATOM 0 HA VAL A 35 1.648 -3.121 2.393 1.00 4.43 H new ATOM 0 HB VAL A 35 1.341 -5.851 1.115 1.00 52.32 H new ATOM 0 HG11 VAL A 35 0.450 -4.746 -0.897 1.00 65.44 H new ATOM 0 HG12 VAL A 35 -0.652 -4.579 0.491 1.00 65.44 H new ATOM 0 HG13 VAL A 35 0.364 -3.206 -0.009 1.00 65.44 H new ATOM 0 HG21 VAL A 35 2.891 -4.895 -0.543 1.00 51.42 H new ATOM 0 HG22 VAL A 35 2.906 -3.362 0.360 1.00 51.42 H new ATOM 0 HG23 VAL A 35 3.566 -4.838 1.103 1.00 51.42 H new ATOM 546 N TYR A 36 -0.806 -5.285 2.958 1.00 0.03 N ATOM 547 CA TYR A 36 -2.218 -5.393 3.305 1.00 15.45 C ATOM 548 C TYR A 36 -2.550 -4.524 4.515 1.00 44.21 C ATOM 549 O TYR A 36 -3.592 -3.870 4.560 1.00 64.43 O ATOM 550 CB TYR A 36 -2.585 -6.849 3.592 1.00 2.34 C ATOM 551 CG TYR A 36 -4.066 -7.133 3.484 1.00 35.15 C ATOM 552 CD1 TYR A 36 -4.722 -7.048 2.262 1.00 34.24 C ATOM 553 CD2 TYR A 36 -4.809 -7.488 4.603 1.00 60.11 C ATOM 554 CE1 TYR A 36 -6.075 -7.306 2.159 1.00 55.02 C ATOM 555 CE2 TYR A 36 -6.163 -7.749 4.508 1.00 50.23 C ATOM 556 CZ TYR A 36 -6.791 -7.656 3.283 1.00 21.44 C ATOM 557 OH TYR A 36 -8.139 -7.916 3.184 1.00 11.11 O ATOM 0 H TYR A 36 -0.323 -6.179 2.872 1.00 0.03 H new ATOM 0 HA TYR A 36 -2.802 -5.040 2.456 1.00 15.45 H new ATOM 0 HB2 TYR A 36 -2.048 -7.494 2.896 1.00 2.34 H new ATOM 0 HB3 TYR A 36 -2.246 -7.109 4.595 1.00 2.34 H new ATOM 0 HD1 TYR A 36 -4.165 -6.776 1.378 1.00 34.24 H new ATOM 0 HD2 TYR A 36 -4.320 -7.561 5.563 1.00 60.11 H new ATOM 0 HE1 TYR A 36 -6.570 -7.234 1.202 1.00 55.02 H new ATOM 0 HE2 TYR A 36 -6.726 -8.024 5.388 1.00 50.23 H new ATOM 0 HH TYR A 36 -8.493 -8.149 4.068 1.00 11.11 H new ATOM 567 N LYS A 37 -1.654 -4.522 5.496 1.00 43.34 N ATOM 568 CA LYS A 37 -1.846 -3.733 6.707 1.00 24.12 C ATOM 569 C LYS A 37 -1.943 -2.247 6.380 1.00 53.15 C ATOM 570 O LYS A 37 -2.613 -1.490 7.081 1.00 2.43 O ATOM 571 CB LYS A 37 -0.696 -3.976 7.687 1.00 43.32 C ATOM 572 CG LYS A 37 -0.994 -5.046 8.723 1.00 12.52 C ATOM 573 CD LYS A 37 0.168 -5.232 9.683 1.00 23.15 C ATOM 574 CE LYS A 37 -0.048 -4.458 10.976 1.00 61.11 C ATOM 575 NZ LYS A 37 0.058 -2.988 10.766 1.00 1.41 N ATOM 0 H LYS A 37 -0.787 -5.059 5.476 1.00 43.34 H new ATOM 0 HA LYS A 37 -2.782 -4.047 7.169 1.00 24.12 H new ATOM 0 HB2 LYS A 37 0.193 -4.263 7.126 1.00 43.32 H new ATOM 0 HB3 LYS A 37 -0.462 -3.042 8.198 1.00 43.32 H new ATOM 0 HG2 LYS A 37 -1.889 -4.773 9.282 1.00 12.52 H new ATOM 0 HG3 LYS A 37 -1.207 -5.990 8.221 1.00 12.52 H new ATOM 0 HD2 LYS A 37 0.290 -6.292 9.908 1.00 23.15 H new ATOM 0 HD3 LYS A 37 1.091 -4.899 9.208 1.00 23.15 H new ATOM 0 HE2 LYS A 37 -1.031 -4.697 11.383 1.00 61.11 H new ATOM 0 HE3 LYS A 37 0.688 -4.773 11.715 1.00 61.11 H new ATOM 0 HZ1 LYS A 37 0.177 -2.514 11.684 1.00 1.41 H new ATOM 0 HZ2 LYS A 37 0.879 -2.782 10.161 1.00 1.41 H new ATOM 0 HZ3 LYS A 37 -0.807 -2.640 10.306 1.00 1.41 H new ATOM 589 N ALA A 38 -1.272 -1.836 5.308 1.00 3.03 N ATOM 590 CA ALA A 38 -1.287 -0.441 4.886 1.00 42.15 C ATOM 591 C ALA A 38 -2.586 -0.099 4.166 1.00 0.24 C ATOM 592 O ALA A 38 -3.160 0.971 4.374 1.00 20.32 O ATOM 593 CB ALA A 38 -0.092 -0.149 3.990 1.00 75.30 C ATOM 0 H ALA A 38 -0.712 -2.450 4.717 1.00 3.03 H new ATOM 0 HA ALA A 38 -1.221 0.183 5.777 1.00 42.15 H new ATOM 0 HB1 ALA A 38 -0.115 0.896 3.682 1.00 75.30 H new ATOM 0 HB2 ALA A 38 0.830 -0.346 4.537 1.00 75.30 H new ATOM 0 HB3 ALA A 38 -0.134 -0.788 3.108 1.00 75.30 H new ATOM 599 N LEU A 39 -3.046 -1.012 3.319 1.00 31.50 N ATOM 600 CA LEU A 39 -4.280 -0.807 2.567 1.00 53.11 C ATOM 601 C LEU A 39 -5.458 -0.574 3.507 1.00 20.01 C ATOM 602 O LEU A 39 -6.216 0.381 3.343 1.00 62.23 O ATOM 603 CB LEU A 39 -4.559 -2.013 1.669 1.00 15.05 C ATOM 604 CG LEU A 39 -3.402 -2.473 0.783 1.00 42.34 C ATOM 605 CD1 LEU A 39 -3.767 -3.754 0.050 1.00 72.13 C ATOM 606 CD2 LEU A 39 -3.021 -1.381 -0.206 1.00 52.34 C ATOM 0 H LEU A 39 -2.583 -1.902 3.135 1.00 31.50 H new ATOM 0 HA LEU A 39 -4.155 0.080 1.945 1.00 53.11 H new ATOM 0 HB2 LEU A 39 -4.861 -2.849 2.301 1.00 15.05 H new ATOM 0 HB3 LEU A 39 -5.408 -1.775 1.028 1.00 15.05 H new ATOM 0 HG LEU A 39 -2.541 -2.676 1.420 1.00 42.34 H new ATOM 0 HD11 LEU A 39 -2.931 -4.066 -0.576 1.00 72.13 H new ATOM 0 HD12 LEU A 39 -3.990 -4.537 0.775 1.00 72.13 H new ATOM 0 HD13 LEU A 39 -4.642 -3.579 -0.575 1.00 72.13 H new ATOM 0 HD21 LEU A 39 -2.196 -1.726 -0.829 1.00 52.34 H new ATOM 0 HD22 LEU A 39 -3.878 -1.146 -0.837 1.00 52.34 H new ATOM 0 HD23 LEU A 39 -2.716 -0.487 0.338 1.00 52.34 H new ATOM 618 N GLU A 40 -5.603 -1.453 4.494 1.00 75.31 N ATOM 619 CA GLU A 40 -6.690 -1.342 5.462 1.00 53.25 C ATOM 620 C GLU A 40 -6.632 -0.004 6.192 1.00 44.22 C ATOM 621 O GLU A 40 -7.661 0.553 6.575 1.00 14.11 O ATOM 622 CB GLU A 40 -6.623 -2.490 6.470 1.00 25.33 C ATOM 623 CG GLU A 40 -5.276 -2.615 7.163 1.00 53.23 C ATOM 624 CD GLU A 40 -5.327 -3.517 8.380 1.00 54.11 C ATOM 625 OE1 GLU A 40 -6.302 -4.288 8.506 1.00 74.11 O ATOM 626 OE2 GLU A 40 -4.392 -3.453 9.206 1.00 75.22 O ATOM 0 H GLU A 40 -4.983 -2.249 4.645 1.00 75.31 H new ATOM 0 HA GLU A 40 -7.634 -1.400 4.920 1.00 53.25 H new ATOM 0 HB2 GLU A 40 -7.398 -2.346 7.223 1.00 25.33 H new ATOM 0 HB3 GLU A 40 -6.846 -3.426 5.957 1.00 25.33 H new ATOM 0 HG2 GLU A 40 -4.543 -3.005 6.457 1.00 53.23 H new ATOM 0 HG3 GLU A 40 -4.933 -1.625 7.463 1.00 53.23 H new ATOM 633 N LYS A 41 -5.420 0.508 6.383 1.00 0.21 N ATOM 634 CA LYS A 41 -5.225 1.780 7.067 1.00 14.41 C ATOM 635 C LYS A 41 -5.519 2.951 6.133 1.00 23.43 C ATOM 636 O LYS A 41 -6.063 3.972 6.553 1.00 14.33 O ATOM 637 CB LYS A 41 -3.794 1.884 7.598 1.00 13.10 C ATOM 638 CG LYS A 41 -3.717 2.103 9.099 1.00 63.53 C ATOM 639 CD LYS A 41 -3.634 0.785 9.851 1.00 44.45 C ATOM 640 CE LYS A 41 -5.015 0.253 10.199 1.00 11.12 C ATOM 641 NZ LYS A 41 -4.989 -0.600 11.419 1.00 33.52 N ATOM 0 H LYS A 41 -4.558 0.060 6.073 1.00 0.21 H new ATOM 0 HA LYS A 41 -5.920 1.823 7.905 1.00 14.41 H new ATOM 0 HB2 LYS A 41 -3.254 0.972 7.344 1.00 13.10 H new ATOM 0 HB3 LYS A 41 -3.287 2.706 7.093 1.00 13.10 H new ATOM 0 HG2 LYS A 41 -2.845 2.713 9.334 1.00 63.53 H new ATOM 0 HG3 LYS A 41 -4.594 2.658 9.432 1.00 63.53 H new ATOM 0 HD2 LYS A 41 -3.103 0.052 9.244 1.00 44.45 H new ATOM 0 HD3 LYS A 41 -3.055 0.922 10.764 1.00 44.45 H new ATOM 0 HE2 LYS A 41 -5.698 1.089 10.354 1.00 11.12 H new ATOM 0 HE3 LYS A 41 -5.404 -0.324 9.360 1.00 11.12 H new ATOM 0 HZ1 LYS A 41 -5.949 -0.943 11.623 1.00 33.52 H new ATOM 0 HZ2 LYS A 41 -4.357 -1.411 11.262 1.00 33.52 H new ATOM 0 HZ3 LYS A 41 -4.642 -0.042 12.225 1.00 33.52 H new ATOM 655 N LEU A 42 -5.155 2.794 4.865 1.00 34.14 N ATOM 656 CA LEU A 42 -5.381 3.837 3.871 1.00 74.12 C ATOM 657 C LEU A 42 -6.868 3.982 3.561 1.00 50.45 C ATOM 658 O LEU A 42 -7.415 5.084 3.602 1.00 62.23 O ATOM 659 CB LEU A 42 -4.610 3.521 2.588 1.00 54.44 C ATOM 660 CG LEU A 42 -3.089 3.449 2.719 1.00 2.34 C ATOM 661 CD1 LEU A 42 -2.520 2.408 1.769 1.00 44.14 C ATOM 662 CD2 LEU A 42 -2.465 4.812 2.456 1.00 1.32 C ATOM 0 H LEU A 42 -4.703 1.955 4.501 1.00 34.14 H new ATOM 0 HA LEU A 42 -5.021 4.780 4.282 1.00 74.12 H new ATOM 0 HB2 LEU A 42 -4.967 2.567 2.199 1.00 54.44 H new ATOM 0 HB3 LEU A 42 -4.855 4.280 1.845 1.00 54.44 H new ATOM 0 HG LEU A 42 -2.846 3.151 3.739 1.00 2.34 H new ATOM 0 HD11 LEU A 42 -1.436 2.371 1.877 1.00 44.14 H new ATOM 0 HD12 LEU A 42 -2.942 1.431 2.005 1.00 44.14 H new ATOM 0 HD13 LEU A 42 -2.774 2.674 0.743 1.00 44.14 H new ATOM 0 HD21 LEU A 42 -1.382 4.741 2.554 1.00 1.32 H new ATOM 0 HD22 LEU A 42 -2.718 5.139 1.448 1.00 1.32 H new ATOM 0 HD23 LEU A 42 -2.848 5.533 3.178 1.00 1.32 H new ATOM 674 N GLU A 43 -7.516 2.863 3.254 1.00 43.35 N ATOM 675 CA GLU A 43 -8.939 2.867 2.939 1.00 21.05 C ATOM 676 C GLU A 43 -9.744 3.499 4.070 1.00 35.24 C ATOM 677 O GLU A 43 -10.723 4.206 3.830 1.00 60.22 O ATOM 678 CB GLU A 43 -9.431 1.440 2.683 1.00 12.23 C ATOM 679 CG GLU A 43 -10.799 1.377 2.026 1.00 13.41 C ATOM 680 CD GLU A 43 -11.441 0.008 2.142 1.00 2.34 C ATOM 681 OE1 GLU A 43 -10.696 -0.994 2.164 1.00 33.21 O ATOM 682 OE2 GLU A 43 -12.685 -0.061 2.213 1.00 53.03 O ATOM 0 H GLU A 43 -7.078 1.943 3.217 1.00 43.35 H new ATOM 0 HA GLU A 43 -9.084 3.461 2.037 1.00 21.05 H new ATOM 0 HB2 GLU A 43 -8.709 0.924 2.050 1.00 12.23 H new ATOM 0 HB3 GLU A 43 -9.467 0.902 3.630 1.00 12.23 H new ATOM 0 HG2 GLU A 43 -11.452 2.120 2.484 1.00 13.41 H new ATOM 0 HG3 GLU A 43 -10.704 1.641 0.973 1.00 13.41 H new ATOM 689 N ALA A 44 -9.326 3.239 5.304 1.00 2.43 N ATOM 690 CA ALA A 44 -10.006 3.784 6.473 1.00 62.54 C ATOM 691 C ALA A 44 -9.926 5.306 6.495 1.00 51.41 C ATOM 692 O ALA A 44 -10.746 5.971 7.127 1.00 24.33 O ATOM 693 CB ALA A 44 -9.411 3.204 7.747 1.00 21.53 C ATOM 0 H ALA A 44 -8.519 2.654 5.521 1.00 2.43 H new ATOM 0 HA ALA A 44 -11.057 3.503 6.415 1.00 62.54 H new ATOM 0 HB1 ALA A 44 -9.928 3.619 8.612 1.00 21.53 H new ATOM 0 HB2 ALA A 44 -9.526 2.120 7.742 1.00 21.53 H new ATOM 0 HB3 ALA A 44 -8.352 3.456 7.802 1.00 21.53 H new ATOM 699 N MET A 45 -8.933 5.852 5.801 1.00 5.02 N ATOM 700 CA MET A 45 -8.747 7.297 5.741 1.00 5.41 C ATOM 701 C MET A 45 -9.292 7.862 4.435 1.00 72.25 C ATOM 702 O MET A 45 -9.650 9.036 4.356 1.00 13.51 O ATOM 703 CB MET A 45 -7.264 7.648 5.883 1.00 13.24 C ATOM 704 CG MET A 45 -6.707 7.385 7.273 1.00 52.11 C ATOM 705 SD MET A 45 -7.286 8.583 8.491 1.00 50.34 S ATOM 706 CE MET A 45 -5.942 8.539 9.674 1.00 40.31 C ATOM 0 H MET A 45 -8.245 5.316 5.272 1.00 5.02 H new ATOM 0 HA MET A 45 -9.300 7.744 6.567 1.00 5.41 H new ATOM 0 HB2 MET A 45 -6.692 7.072 5.156 1.00 13.24 H new ATOM 0 HB3 MET A 45 -7.123 8.701 5.637 1.00 13.24 H new ATOM 0 HG2 MET A 45 -6.993 6.382 7.591 1.00 52.11 H new ATOM 0 HG3 MET A 45 -5.618 7.409 7.234 1.00 52.11 H new ATOM 0 HE1 MET A 45 -6.153 9.230 10.490 1.00 40.31 H new ATOM 0 HE2 MET A 45 -5.839 7.529 10.071 1.00 40.31 H new ATOM 0 HE3 MET A 45 -5.014 8.831 9.182 1.00 40.31 H new ATOM 716 N GLY A 46 -9.352 7.017 3.409 1.00 40.51 N ATOM 717 CA GLY A 46 -9.854 7.452 2.118 1.00 20.12 C ATOM 718 C GLY A 46 -8.743 7.837 1.163 1.00 41.32 C ATOM 719 O GLY A 46 -8.949 8.637 0.249 1.00 32.14 O ATOM 0 H GLY A 46 -9.062 6.040 3.449 1.00 40.51 H new ATOM 0 HA2 GLY A 46 -10.449 6.653 1.675 1.00 20.12 H new ATOM 0 HA3 GLY A 46 -10.519 8.304 2.259 1.00 20.12 H new ATOM 723 N ARG A 47 -7.560 7.269 1.373 1.00 63.44 N ATOM 724 CA ARG A 47 -6.410 7.559 0.524 1.00 30.45 C ATOM 725 C ARG A 47 -6.465 6.741 -0.763 1.00 11.31 C ATOM 726 O ARG A 47 -6.228 7.265 -1.852 1.00 61.41 O ATOM 727 CB ARG A 47 -5.109 7.265 1.274 1.00 34.33 C ATOM 728 CG ARG A 47 -5.112 7.752 2.714 1.00 0.40 C ATOM 729 CD ARG A 47 -5.280 9.262 2.790 1.00 44.03 C ATOM 730 NE ARG A 47 -4.067 9.923 3.264 1.00 11.24 N ATOM 731 CZ ARG A 47 -4.038 11.175 3.708 1.00 53.20 C ATOM 732 NH1 ARG A 47 -5.150 11.897 3.737 1.00 41.40 N ATOM 733 NH2 ARG A 47 -2.896 11.708 4.123 1.00 61.43 N ATOM 0 H ARG A 47 -7.372 6.605 2.124 1.00 63.44 H new ATOM 0 HA ARG A 47 -6.439 8.617 0.263 1.00 30.45 H new ATOM 0 HB2 ARG A 47 -4.929 6.190 1.263 1.00 34.33 H new ATOM 0 HB3 ARG A 47 -4.280 7.733 0.743 1.00 34.33 H new ATOM 0 HG2 ARG A 47 -5.920 7.267 3.262 1.00 0.40 H new ATOM 0 HG3 ARG A 47 -4.179 7.463 3.199 1.00 0.40 H new ATOM 0 HD2 ARG A 47 -5.542 9.648 1.805 1.00 44.03 H new ATOM 0 HD3 ARG A 47 -6.108 9.502 3.457 1.00 44.03 H new ATOM 0 HE ARG A 47 -3.195 9.395 3.254 1.00 11.24 H new ATOM 0 HH11 ARG A 47 -6.030 11.491 3.418 1.00 41.40 H new ATOM 0 HH12 ARG A 47 -5.125 12.858 4.078 1.00 41.40 H new ATOM 0 HH21 ARG A 47 -2.038 11.156 4.102 1.00 61.43 H new ATOM 0 HH22 ARG A 47 -2.876 12.669 4.463 1.00 61.43 H new ATOM 747 N ILE A 48 -6.778 5.457 -0.629 1.00 45.45 N ATOM 748 CA ILE A 48 -6.863 4.568 -1.781 1.00 61.05 C ATOM 749 C ILE A 48 -8.277 4.543 -2.352 1.00 23.42 C ATOM 750 O ILE A 48 -8.472 4.315 -3.546 1.00 22.54 O ATOM 751 CB ILE A 48 -6.442 3.132 -1.417 1.00 53.33 C ATOM 752 CG1 ILE A 48 -7.321 2.591 -0.287 1.00 40.33 C ATOM 753 CG2 ILE A 48 -4.975 3.096 -1.018 1.00 65.40 C ATOM 754 CD1 ILE A 48 -7.022 1.153 0.075 1.00 43.25 C ATOM 0 H ILE A 48 -6.977 5.009 0.265 1.00 45.45 H new ATOM 0 HA ILE A 48 -6.177 4.959 -2.533 1.00 61.05 H new ATOM 0 HB ILE A 48 -6.576 2.496 -2.292 1.00 53.33 H new ATOM 0 HG12 ILE A 48 -7.188 3.215 0.597 1.00 40.33 H new ATOM 0 HG13 ILE A 48 -8.368 2.673 -0.580 1.00 40.33 H new ATOM 0 HG21 ILE A 48 -4.692 2.075 -0.763 1.00 65.40 H new ATOM 0 HG22 ILE A 48 -4.363 3.446 -1.850 1.00 65.40 H new ATOM 0 HG23 ILE A 48 -4.817 3.742 -0.155 1.00 65.40 H new ATOM 0 HD11 ILE A 48 -7.682 0.836 0.882 1.00 43.25 H new ATOM 0 HD12 ILE A 48 -7.183 0.518 -0.796 1.00 43.25 H new ATOM 0 HD13 ILE A 48 -5.985 1.068 0.400 1.00 43.25 H new ATOM 1035 N THR A 62 -21.014 25.470 -27.753 1.00 22.02 N ATOM 1036 CA THR A 62 -21.897 26.501 -28.284 1.00 71.23 C ATOM 1037 C THR A 62 -23.222 26.533 -27.530 1.00 5.30 C ATOM 1038 O THR A 62 -23.527 25.626 -26.756 1.00 1.12 O ATOM 1039 CB THR A 62 -22.178 26.282 -29.783 1.00 31.25 C ATOM 1040 OG1 THR A 62 -21.075 25.604 -30.395 1.00 2.23 O ATOM 1041 CG2 THR A 62 -22.421 27.608 -30.488 1.00 45.04 C ATOM 0 HA THR A 62 -21.385 27.454 -28.153 1.00 71.23 H new ATOM 0 HB THR A 62 -23.075 25.670 -29.876 1.00 31.25 H new ATOM 0 HG1 THR A 62 -20.603 25.073 -29.721 1.00 2.23 H new ATOM 0 HG21 THR A 62 -22.617 27.428 -31.545 1.00 45.04 H new ATOM 0 HG22 THR A 62 -23.280 28.106 -30.039 1.00 45.04 H new ATOM 0 HG23 THR A 62 -21.540 28.241 -30.385 1.00 45.04 H new ATOM 1049 N GLU A 63 -24.003 27.584 -27.760 1.00 71.02 N ATOM 1050 CA GLU A 63 -25.295 27.733 -27.101 1.00 13.00 C ATOM 1051 C GLU A 63 -26.232 26.587 -27.474 1.00 25.24 C ATOM 1052 O GLU A 63 -26.809 25.937 -26.602 1.00 54.11 O ATOM 1053 CB GLU A 63 -25.934 29.071 -27.478 1.00 51.40 C ATOM 1054 CG GLU A 63 -25.117 30.278 -27.048 1.00 41.21 C ATOM 1055 CD GLU A 63 -25.431 31.516 -27.865 1.00 12.40 C ATOM 1056 OE1 GLU A 63 -26.611 31.926 -27.894 1.00 62.34 O ATOM 1057 OE2 GLU A 63 -24.497 32.076 -28.477 1.00 45.21 O ATOM 0 H GLU A 63 -23.764 28.344 -28.397 1.00 71.02 H new ATOM 0 HA GLU A 63 -25.129 27.708 -26.024 1.00 13.00 H new ATOM 0 HB2 GLU A 63 -26.076 29.105 -28.558 1.00 51.40 H new ATOM 0 HB3 GLU A 63 -26.923 29.132 -27.025 1.00 51.40 H new ATOM 0 HG2 GLU A 63 -25.307 30.484 -25.995 1.00 41.21 H new ATOM 0 HG3 GLU A 63 -24.056 30.046 -27.141 1.00 41.21 H new ATOM 1064 N GLU A 64 -26.376 26.347 -28.772 1.00 73.44 N ATOM 1065 CA GLU A 64 -27.243 25.280 -29.260 1.00 11.22 C ATOM 1066 C GLU A 64 -26.583 23.917 -29.078 1.00 23.41 C ATOM 1067 O GLU A 64 -27.261 22.913 -28.860 1.00 62.12 O ATOM 1068 CB GLU A 64 -27.582 25.503 -30.735 1.00 62.11 C ATOM 1069 CG GLU A 64 -28.956 26.110 -30.960 1.00 33.53 C ATOM 1070 CD GLU A 64 -29.716 25.434 -32.085 1.00 10.11 C ATOM 1071 OE1 GLU A 64 -29.811 24.188 -32.074 1.00 10.32 O ATOM 1072 OE2 GLU A 64 -30.216 26.151 -32.977 1.00 3.14 O ATOM 0 H GLU A 64 -25.904 26.876 -29.505 1.00 73.44 H new ATOM 0 HA GLU A 64 -28.164 25.299 -28.677 1.00 11.22 H new ATOM 0 HB2 GLU A 64 -26.829 26.156 -31.177 1.00 62.11 H new ATOM 0 HB3 GLU A 64 -27.525 24.549 -31.260 1.00 62.11 H new ATOM 0 HG2 GLU A 64 -29.536 26.038 -30.040 1.00 33.53 H new ATOM 0 HG3 GLU A 64 -28.848 27.171 -31.186 1.00 33.53 H new ATOM 1079 N GLU A 65 -25.257 23.890 -29.170 1.00 51.02 N ATOM 1080 CA GLU A 65 -24.506 22.649 -29.017 1.00 0.11 C ATOM 1081 C GLU A 65 -24.590 22.135 -27.583 1.00 13.43 C ATOM 1082 O GLU A 65 -24.801 20.945 -27.349 1.00 71.32 O ATOM 1083 CB GLU A 65 -23.042 22.862 -29.409 1.00 70.41 C ATOM 1084 CG GLU A 65 -22.131 21.717 -29.001 1.00 62.31 C ATOM 1085 CD GLU A 65 -21.110 21.374 -30.069 1.00 11.01 C ATOM 1086 OE1 GLU A 65 -20.862 22.226 -30.948 1.00 41.30 O ATOM 1087 OE2 GLU A 65 -20.560 20.254 -30.026 1.00 22.53 O ATOM 0 H GLU A 65 -24.681 24.712 -29.350 1.00 51.02 H new ATOM 0 HA GLU A 65 -24.948 21.903 -29.678 1.00 0.11 H new ATOM 0 HB2 GLU A 65 -22.980 22.998 -30.489 1.00 70.41 H new ATOM 0 HB3 GLU A 65 -22.682 23.783 -28.950 1.00 70.41 H new ATOM 0 HG2 GLU A 65 -21.612 21.981 -28.079 1.00 62.31 H new ATOM 0 HG3 GLU A 65 -22.735 20.836 -28.785 1.00 62.31 H new ATOM 1094 N LEU A 66 -24.424 23.042 -26.626 1.00 23.23 N ATOM 1095 CA LEU A 66 -24.481 22.682 -25.213 1.00 71.51 C ATOM 1096 C LEU A 66 -25.894 22.270 -24.812 1.00 34.04 C ATOM 1097 O LEU A 66 -26.081 21.437 -23.926 1.00 64.31 O ATOM 1098 CB LEU A 66 -24.014 23.854 -24.348 1.00 32.11 C ATOM 1099 CG LEU A 66 -25.074 24.905 -24.014 1.00 61.13 C ATOM 1100 CD1 LEU A 66 -25.798 24.541 -22.727 1.00 15.24 C ATOM 1101 CD2 LEU A 66 -24.440 26.284 -23.901 1.00 33.21 C ATOM 0 H LEU A 66 -24.249 24.031 -26.803 1.00 23.23 H new ATOM 0 HA LEU A 66 -23.816 21.833 -25.053 1.00 71.51 H new ATOM 0 HB2 LEU A 66 -23.619 23.455 -23.414 1.00 32.11 H new ATOM 0 HB3 LEU A 66 -23.188 24.349 -24.858 1.00 32.11 H new ATOM 0 HG LEU A 66 -25.804 24.928 -24.823 1.00 61.13 H new ATOM 0 HD11 LEU A 66 -26.548 25.300 -22.505 1.00 15.24 H new ATOM 0 HD12 LEU A 66 -26.285 23.573 -22.845 1.00 15.24 H new ATOM 0 HD13 LEU A 66 -25.081 24.489 -21.908 1.00 15.24 H new ATOM 0 HD21 LEU A 66 -25.209 27.019 -23.663 1.00 33.21 H new ATOM 0 HD22 LEU A 66 -23.689 26.276 -23.111 1.00 33.21 H new ATOM 0 HD23 LEU A 66 -23.968 26.546 -24.848 1.00 33.21 H new ATOM 1113 N ALA A 67 -26.886 22.858 -25.473 1.00 13.43 N ATOM 1114 CA ALA A 67 -28.282 22.549 -25.189 1.00 4.33 C ATOM 1115 C ALA A 67 -28.713 21.264 -25.887 1.00 13.31 C ATOM 1116 O ALA A 67 -29.599 20.553 -25.411 1.00 0.14 O ATOM 1117 CB ALA A 67 -29.175 23.707 -25.611 1.00 3.43 C ATOM 0 H ALA A 67 -26.749 23.551 -26.209 1.00 13.43 H new ATOM 0 HA ALA A 67 -28.384 22.399 -24.114 1.00 4.33 H new ATOM 0 HB1 ALA A 67 -30.215 23.463 -25.393 1.00 3.43 H new ATOM 0 HB2 ALA A 67 -28.890 24.605 -25.062 1.00 3.43 H new ATOM 0 HB3 ALA A 67 -29.060 23.884 -26.680 1.00 3.43 H new ATOM 1123 N THR A 68 -28.082 20.972 -27.019 1.00 72.42 N ATOM 1124 CA THR A 68 -28.403 19.773 -27.785 1.00 63.22 C ATOM 1125 C THR A 68 -27.659 18.559 -27.241 1.00 43.45 C ATOM 1126 O THR A 68 -28.231 17.478 -27.104 1.00 74.31 O ATOM 1127 CB THR A 68 -28.055 19.949 -29.275 1.00 34.24 C ATOM 1128 OG1 THR A 68 -28.797 21.043 -29.826 1.00 4.35 O ATOM 1129 CG2 THR A 68 -28.362 18.679 -30.056 1.00 4.11 C ATOM 0 H THR A 68 -27.346 21.549 -27.426 1.00 72.42 H new ATOM 0 HA THR A 68 -29.477 19.612 -27.687 1.00 63.22 H new ATOM 0 HB THR A 68 -26.988 20.157 -29.354 1.00 34.24 H new ATOM 0 HG1 THR A 68 -28.538 21.874 -29.375 1.00 4.35 H new ATOM 0 HG21 THR A 68 -28.108 18.827 -31.106 1.00 4.11 H new ATOM 0 HG22 THR A 68 -27.775 17.854 -29.654 1.00 4.11 H new ATOM 0 HG23 THR A 68 -29.423 18.446 -29.969 1.00 4.11 H new ATOM 1137 N ILE A 69 -26.379 18.744 -26.931 1.00 53.41 N ATOM 1138 CA ILE A 69 -25.558 17.663 -26.401 1.00 13.23 C ATOM 1139 C ILE A 69 -26.185 17.060 -25.149 1.00 72.31 C ATOM 1140 O ILE A 69 -26.131 15.848 -24.937 1.00 2.53 O ATOM 1141 CB ILE A 69 -24.136 18.149 -26.064 1.00 51.45 C ATOM 1142 CG1 ILE A 69 -23.290 16.992 -25.532 1.00 64.44 C ATOM 1143 CG2 ILE A 69 -24.190 19.284 -25.052 1.00 45.22 C ATOM 1144 CD1 ILE A 69 -21.814 17.135 -25.829 1.00 41.12 C ATOM 0 H ILE A 69 -25.889 19.632 -27.038 1.00 53.41 H new ATOM 0 HA ILE A 69 -25.499 16.902 -27.179 1.00 13.23 H new ATOM 0 HB ILE A 69 -23.671 18.524 -26.976 1.00 51.45 H new ATOM 0 HG12 ILE A 69 -23.429 16.917 -24.454 1.00 64.44 H new ATOM 0 HG13 ILE A 69 -23.651 16.059 -25.966 1.00 64.44 H new ATOM 0 HG21 ILE A 69 -23.177 19.617 -24.824 1.00 45.22 H new ATOM 0 HG22 ILE A 69 -24.760 20.115 -25.467 1.00 45.22 H new ATOM 0 HG23 ILE A 69 -24.671 18.935 -24.139 1.00 45.22 H new ATOM 0 HD11 ILE A 69 -21.276 16.279 -25.422 1.00 41.12 H new ATOM 0 HD12 ILE A 69 -21.663 17.180 -26.908 1.00 41.12 H new ATOM 0 HD13 ILE A 69 -21.438 18.050 -25.372 1.00 41.12 H new ATOM 1156 N ARG A 70 -26.783 17.913 -24.323 1.00 41.21 N ATOM 1157 CA ARG A 70 -27.422 17.464 -23.092 1.00 64.24 C ATOM 1158 C ARG A 70 -28.469 16.393 -23.382 1.00 12.41 C ATOM 1159 O ARG A 70 -28.801 15.585 -22.516 1.00 3.01 O ATOM 1160 CB ARG A 70 -28.071 18.645 -22.369 1.00 2.41 C ATOM 1161 CG ARG A 70 -29.412 19.056 -22.956 1.00 25.52 C ATOM 1162 CD ARG A 70 -30.570 18.457 -22.172 1.00 4.32 C ATOM 1163 NE ARG A 70 -30.728 19.087 -20.863 1.00 62.44 N ATOM 1164 CZ ARG A 70 -31.854 19.045 -20.160 1.00 3.34 C ATOM 1165 NH1 ARG A 70 -32.914 18.409 -20.636 1.00 34.42 N ATOM 1166 NH2 ARG A 70 -31.920 19.643 -18.976 1.00 75.43 N ATOM 0 H ARG A 70 -26.838 18.919 -24.484 1.00 41.21 H new ATOM 0 HA ARG A 70 -26.654 17.032 -22.450 1.00 64.24 H new ATOM 0 HB2 ARG A 70 -28.207 18.387 -21.319 1.00 2.41 H new ATOM 0 HB3 ARG A 70 -27.393 19.498 -22.402 1.00 2.41 H new ATOM 0 HG2 ARG A 70 -29.494 20.143 -22.954 1.00 25.52 H new ATOM 0 HG3 ARG A 70 -29.470 18.734 -23.996 1.00 25.52 H new ATOM 0 HD2 ARG A 70 -31.492 18.571 -22.743 1.00 4.32 H new ATOM 0 HD3 ARG A 70 -30.405 17.387 -22.042 1.00 4.32 H new ATOM 0 HE ARG A 70 -29.931 19.586 -20.468 1.00 62.44 H new ATOM 0 HH11 ARG A 70 -32.867 17.949 -21.545 1.00 34.42 H new ATOM 0 HH12 ARG A 70 -33.777 18.379 -20.093 1.00 34.42 H new ATOM 0 HH21 ARG A 70 -31.106 20.134 -18.607 1.00 75.43 H new ATOM 0 HH22 ARG A 70 -32.785 19.611 -18.436 1.00 75.43 H new ATOM 1180 N GLU A 71 -28.987 16.396 -24.607 1.00 22.20 N ATOM 1181 CA GLU A 71 -29.998 15.426 -25.010 1.00 34.53 C ATOM 1182 C GLU A 71 -29.523 14.001 -24.742 1.00 63.03 C ATOM 1183 O GLU A 71 -30.324 13.109 -24.460 1.00 25.14 O ATOM 1184 CB GLU A 71 -30.334 15.592 -26.493 1.00 71.22 C ATOM 1185 CG GLU A 71 -31.428 14.656 -26.979 1.00 13.22 C ATOM 1186 CD GLU A 71 -32.819 15.183 -26.686 1.00 13.23 C ATOM 1187 OE1 GLU A 71 -33.364 15.921 -27.534 1.00 74.14 O ATOM 1188 OE2 GLU A 71 -33.362 14.860 -25.609 1.00 35.31 O ATOM 0 H GLU A 71 -28.723 17.059 -25.336 1.00 22.20 H new ATOM 0 HA GLU A 71 -30.895 15.609 -24.419 1.00 34.53 H new ATOM 0 HB2 GLU A 71 -30.642 16.622 -26.674 1.00 71.22 H new ATOM 0 HB3 GLU A 71 -29.433 15.421 -27.082 1.00 71.22 H new ATOM 0 HG2 GLU A 71 -31.320 14.504 -28.053 1.00 13.22 H new ATOM 0 HG3 GLU A 71 -31.305 13.682 -26.505 1.00 13.22 H new ATOM 1195 N LEU A 72 -28.214 13.794 -24.833 1.00 61.00 N ATOM 1196 CA LEU A 72 -27.629 12.477 -24.600 1.00 55.52 C ATOM 1197 C LEU A 72 -28.073 11.914 -23.254 1.00 44.13 C ATOM 1198 O LEU A 72 -28.039 10.703 -23.035 1.00 60.11 O ATOM 1199 CB LEU A 72 -26.103 12.558 -24.655 1.00 40.31 C ATOM 1200 CG LEU A 72 -25.399 12.855 -23.330 1.00 31.31 C ATOM 1201 CD1 LEU A 72 -26.005 14.082 -22.666 1.00 73.35 C ATOM 1202 CD2 LEU A 72 -25.479 11.650 -22.402 1.00 54.21 C ATOM 0 H LEU A 72 -27.537 14.521 -25.066 1.00 61.00 H new ATOM 0 HA LEU A 72 -27.979 11.807 -25.385 1.00 55.52 H new ATOM 0 HB2 LEU A 72 -25.723 11.613 -25.042 1.00 40.31 H new ATOM 0 HB3 LEU A 72 -25.826 13.331 -25.372 1.00 40.31 H new ATOM 0 HG LEU A 72 -24.349 13.061 -23.537 1.00 31.31 H new ATOM 0 HD11 LEU A 72 -25.491 14.277 -21.725 1.00 73.35 H new ATOM 0 HD12 LEU A 72 -25.896 14.943 -23.325 1.00 73.35 H new ATOM 0 HD13 LEU A 72 -27.063 13.906 -22.472 1.00 73.35 H new ATOM 0 HD21 LEU A 72 -24.973 11.879 -21.464 1.00 54.21 H new ATOM 0 HD22 LEU A 72 -26.524 11.413 -22.202 1.00 54.21 H new ATOM 0 HD23 LEU A 72 -24.997 10.794 -22.875 1.00 54.21 H new ATOM 1214 N TYR A 73 -28.490 12.800 -22.356 1.00 54.54 N ATOM 1215 CA TYR A 73 -28.940 12.392 -21.032 1.00 3.05 C ATOM 1216 C TYR A 73 -30.360 11.837 -21.086 1.00 63.01 C ATOM 1217 O TYR A 73 -30.667 10.822 -20.459 1.00 64.11 O ATOM 1218 CB TYR A 73 -28.880 13.575 -20.063 1.00 22.21 C ATOM 1219 CG TYR A 73 -28.513 13.182 -18.650 1.00 33.33 C ATOM 1220 CD1 TYR A 73 -27.337 12.492 -18.383 1.00 71.42 C ATOM 1221 CD2 TYR A 73 -29.342 13.500 -17.581 1.00 55.02 C ATOM 1222 CE1 TYR A 73 -26.998 12.130 -17.094 1.00 45.24 C ATOM 1223 CE2 TYR A 73 -29.010 13.144 -16.289 1.00 61.03 C ATOM 1224 CZ TYR A 73 -27.837 12.459 -16.051 1.00 2.23 C ATOM 1225 OH TYR A 73 -27.503 12.101 -14.765 1.00 24.35 O ATOM 0 H TYR A 73 -28.525 13.806 -22.522 1.00 54.54 H new ATOM 0 HA TYR A 73 -28.275 11.605 -20.677 1.00 3.05 H new ATOM 0 HB2 TYR A 73 -28.152 14.298 -20.431 1.00 22.21 H new ATOM 0 HB3 TYR A 73 -29.849 14.075 -20.052 1.00 22.21 H new ATOM 0 HD1 TYR A 73 -26.676 12.234 -19.198 1.00 71.42 H new ATOM 0 HD2 TYR A 73 -30.262 14.035 -17.764 1.00 55.02 H new ATOM 0 HE1 TYR A 73 -26.081 11.592 -16.904 1.00 45.24 H new ATOM 0 HE2 TYR A 73 -29.665 13.400 -15.470 1.00 61.03 H new ATOM 0 HH TYR A 73 -28.200 12.409 -14.148 1.00 24.35 H new ATOM 1235 N LEU A 74 -31.222 12.507 -21.841 1.00 14.33 N ATOM 1236 CA LEU A 74 -32.611 12.082 -21.979 1.00 51.33 C ATOM 1237 C LEU A 74 -32.716 10.849 -22.871 1.00 5.10 C ATOM 1238 O LEU A 74 -33.424 9.895 -22.548 1.00 74.35 O ATOM 1239 CB LEU A 74 -33.458 13.217 -22.558 1.00 41.13 C ATOM 1240 CG LEU A 74 -33.576 14.473 -21.694 1.00 41.11 C ATOM 1241 CD1 LEU A 74 -32.502 15.482 -22.069 1.00 52.13 C ATOM 1242 CD2 LEU A 74 -34.961 15.088 -21.834 1.00 53.24 C ATOM 0 H LEU A 74 -30.984 13.347 -22.368 1.00 14.33 H new ATOM 0 HA LEU A 74 -32.987 11.826 -20.988 1.00 51.33 H new ATOM 0 HB2 LEU A 74 -33.038 13.502 -23.523 1.00 41.13 H new ATOM 0 HB3 LEU A 74 -34.461 12.835 -22.748 1.00 41.13 H new ATOM 0 HG LEU A 74 -33.430 14.189 -20.652 1.00 41.11 H new ATOM 0 HD11 LEU A 74 -32.602 16.369 -21.444 1.00 52.13 H new ATOM 0 HD12 LEU A 74 -31.518 15.039 -21.916 1.00 52.13 H new ATOM 0 HD13 LEU A 74 -32.615 15.762 -23.116 1.00 52.13 H new ATOM 0 HD21 LEU A 74 -35.027 15.981 -21.212 1.00 53.24 H new ATOM 0 HD22 LEU A 74 -35.136 15.357 -22.876 1.00 53.24 H new ATOM 0 HD23 LEU A 74 -35.713 14.367 -21.515 1.00 53.24 H new ATOM 1254 N LYS A 75 -32.005 10.874 -23.993 1.00 60.14 N ATOM 1255 CA LYS A 75 -32.014 9.757 -24.930 1.00 74.01 C ATOM 1256 C LYS A 75 -31.069 8.653 -24.471 1.00 43.23 C ATOM 1257 O LYS A 75 -31.190 7.503 -24.891 1.00 0.13 O ATOM 1258 CB LYS A 75 -31.617 10.235 -26.329 1.00 25.13 C ATOM 1259 CG LYS A 75 -32.559 11.277 -26.907 1.00 42.21 C ATOM 1260 CD LYS A 75 -33.962 10.721 -27.086 1.00 41.00 C ATOM 1261 CE LYS A 75 -33.978 9.550 -28.056 1.00 11.12 C ATOM 1262 NZ LYS A 75 -35.358 9.223 -28.508 1.00 54.03 N ATOM 0 H LYS A 75 -31.415 11.656 -24.276 1.00 60.14 H new ATOM 0 HA LYS A 75 -33.026 9.353 -24.964 1.00 74.01 H new ATOM 0 HB2 LYS A 75 -30.610 10.650 -26.290 1.00 25.13 H new ATOM 0 HB3 LYS A 75 -31.582 9.377 -27.000 1.00 25.13 H new ATOM 0 HG2 LYS A 75 -32.592 12.145 -26.248 1.00 42.21 H new ATOM 0 HG3 LYS A 75 -32.177 11.621 -27.868 1.00 42.21 H new ATOM 0 HD2 LYS A 75 -34.353 10.400 -26.121 1.00 41.00 H new ATOM 0 HD3 LYS A 75 -34.622 11.507 -27.452 1.00 41.00 H new ATOM 0 HE2 LYS A 75 -33.359 9.787 -28.921 1.00 11.12 H new ATOM 0 HE3 LYS A 75 -33.536 8.676 -27.578 1.00 11.12 H new ATOM 0 HZ1 LYS A 75 -35.326 8.420 -29.168 1.00 54.03 H new ATOM 0 HZ2 LYS A 75 -35.943 8.972 -27.685 1.00 54.03 H new ATOM 0 HZ3 LYS A 75 -35.771 10.048 -28.987 1.00 54.03 H new ATOM 1276 N GLY A 76 -30.126 9.010 -23.603 1.00 61.14 N ATOM 1277 CA GLY A 76 -29.173 8.037 -23.101 1.00 33.04 C ATOM 1278 C GLY A 76 -28.047 7.769 -24.080 1.00 22.33 C ATOM 1279 O GLY A 76 -27.317 6.787 -23.941 1.00 12.04 O ATOM 0 H GLY A 76 -30.005 9.955 -23.239 1.00 61.14 H new ATOM 0 HA2 GLY A 76 -28.755 8.395 -22.160 1.00 33.04 H new ATOM 0 HA3 GLY A 76 -29.692 7.103 -22.884 1.00 33.04 H new ATOM 1283 N ALA A 77 -27.907 8.640 -25.072 1.00 54.30 N ATOM 1284 CA ALA A 77 -26.863 8.493 -26.077 1.00 45.04 C ATOM 1285 C ALA A 77 -25.478 8.517 -25.438 1.00 20.24 C ATOM 1286 O ALA A 77 -25.338 8.794 -24.246 1.00 43.12 O ATOM 1287 CB ALA A 77 -26.981 9.587 -27.127 1.00 24.11 C ATOM 0 H ALA A 77 -28.505 9.456 -25.202 1.00 54.30 H new ATOM 0 HA ALA A 77 -26.994 7.525 -26.561 1.00 45.04 H new ATOM 0 HB1 ALA A 77 -26.194 9.464 -27.871 1.00 24.11 H new ATOM 0 HB2 ALA A 77 -27.954 9.521 -27.614 1.00 24.11 H new ATOM 0 HB3 ALA A 77 -26.880 10.562 -26.650 1.00 24.11 H new ATOM 1293 N THR A 78 -24.457 8.225 -26.238 1.00 0.42 N ATOM 1294 CA THR A 78 -23.084 8.213 -25.749 1.00 42.14 C ATOM 1295 C THR A 78 -22.232 9.248 -26.476 1.00 63.43 C ATOM 1296 O THR A 78 -22.709 9.937 -27.377 1.00 21.25 O ATOM 1297 CB THR A 78 -22.440 6.824 -25.920 1.00 24.10 C ATOM 1298 OG1 THR A 78 -22.373 6.482 -27.309 1.00 22.20 O ATOM 1299 CG2 THR A 78 -23.232 5.765 -25.169 1.00 31.24 C ATOM 0 H THR A 78 -24.555 7.994 -27.227 1.00 0.42 H new ATOM 0 HA THR A 78 -23.124 8.460 -24.688 1.00 42.14 H new ATOM 0 HB THR A 78 -21.432 6.862 -25.507 1.00 24.10 H new ATOM 0 HG1 THR A 78 -21.961 5.599 -27.409 1.00 22.20 H new ATOM 0 HG21 THR A 78 -22.759 4.793 -25.304 1.00 31.24 H new ATOM 0 HG22 THR A 78 -23.256 6.013 -24.108 1.00 31.24 H new ATOM 0 HG23 THR A 78 -24.250 5.730 -25.556 1.00 31.24 H new ATOM 1307 N VAL A 79 -20.968 9.351 -26.079 1.00 61.14 N ATOM 1308 CA VAL A 79 -20.048 10.301 -26.695 1.00 34.51 C ATOM 1309 C VAL A 79 -20.015 10.132 -28.210 1.00 34.42 C ATOM 1310 O VAL A 79 -19.832 11.099 -28.948 1.00 54.03 O ATOM 1311 CB VAL A 79 -18.620 10.139 -26.140 1.00 41.11 C ATOM 1312 CG1 VAL A 79 -17.689 11.173 -26.754 1.00 21.21 C ATOM 1313 CG2 VAL A 79 -18.623 10.245 -24.623 1.00 3.22 C ATOM 0 H VAL A 79 -20.557 8.789 -25.334 1.00 61.14 H new ATOM 0 HA VAL A 79 -20.414 11.299 -26.452 1.00 34.51 H new ATOM 0 HB VAL A 79 -18.253 9.149 -26.411 1.00 41.11 H new ATOM 0 HG11 VAL A 79 -16.685 11.044 -26.350 1.00 21.21 H new ATOM 0 HG12 VAL A 79 -17.665 11.044 -27.836 1.00 21.21 H new ATOM 0 HG13 VAL A 79 -18.049 12.174 -26.516 1.00 21.21 H new ATOM 0 HG21 VAL A 79 -17.606 10.128 -24.248 1.00 3.22 H new ATOM 0 HG22 VAL A 79 -19.009 11.220 -24.327 1.00 3.22 H new ATOM 0 HG23 VAL A 79 -19.256 9.462 -24.205 1.00 3.22 H new ATOM 1323 N TYR A 80 -20.196 8.897 -28.665 1.00 60.44 N ATOM 1324 CA TYR A 80 -20.185 8.600 -30.093 1.00 24.20 C ATOM 1325 C TYR A 80 -21.456 9.110 -30.765 1.00 14.01 C ATOM 1326 O TYR A 80 -21.437 9.517 -31.926 1.00 22.11 O ATOM 1327 CB TYR A 80 -20.043 7.094 -30.321 1.00 15.13 C ATOM 1328 CG TYR A 80 -19.555 6.735 -31.706 1.00 21.42 C ATOM 1329 CD1 TYR A 80 -18.197 6.700 -31.997 1.00 73.01 C ATOM 1330 CD2 TYR A 80 -20.451 6.431 -32.723 1.00 15.12 C ATOM 1331 CE1 TYR A 80 -17.745 6.373 -33.261 1.00 71.01 C ATOM 1332 CE2 TYR A 80 -20.008 6.102 -33.990 1.00 35.13 C ATOM 1333 CZ TYR A 80 -18.655 6.074 -34.255 1.00 2.25 C ATOM 1334 OH TYR A 80 -18.211 5.748 -35.515 1.00 1.25 O ATOM 0 H TYR A 80 -20.352 8.086 -28.066 1.00 60.44 H new ATOM 0 HA TYR A 80 -19.331 9.110 -30.538 1.00 24.20 H new ATOM 0 HB2 TYR A 80 -19.351 6.687 -29.584 1.00 15.13 H new ATOM 0 HB3 TYR A 80 -21.008 6.616 -30.150 1.00 15.13 H new ATOM 0 HD1 TYR A 80 -17.482 6.932 -31.222 1.00 73.01 H new ATOM 0 HD2 TYR A 80 -21.512 6.452 -32.520 1.00 15.12 H new ATOM 0 HE1 TYR A 80 -16.686 6.351 -33.470 1.00 71.01 H new ATOM 0 HE2 TYR A 80 -20.718 5.868 -34.769 1.00 35.13 H new ATOM 0 HH TYR A 80 -18.979 5.564 -36.095 1.00 1.25 H new ATOM 1344 N GLU A 81 -22.560 9.085 -30.024 1.00 53.34 N ATOM 1345 CA GLU A 81 -23.841 9.545 -30.548 1.00 52.11 C ATOM 1346 C GLU A 81 -23.824 11.053 -30.781 1.00 43.41 C ATOM 1347 O GLU A 81 -24.108 11.525 -31.882 1.00 44.31 O ATOM 1348 CB GLU A 81 -24.972 9.180 -29.584 1.00 43.01 C ATOM 1349 CG GLU A 81 -25.339 7.705 -29.608 1.00 11.43 C ATOM 1350 CD GLU A 81 -26.135 7.322 -30.839 1.00 50.24 C ATOM 1351 OE1 GLU A 81 -25.548 7.291 -31.941 1.00 42.52 O ATOM 1352 OE2 GLU A 81 -27.347 7.053 -30.702 1.00 25.13 O ATOM 0 H GLU A 81 -22.593 8.752 -29.061 1.00 53.34 H new ATOM 0 HA GLU A 81 -24.013 9.049 -31.503 1.00 52.11 H new ATOM 0 HB2 GLU A 81 -24.679 9.456 -28.571 1.00 43.01 H new ATOM 0 HB3 GLU A 81 -25.854 9.770 -29.832 1.00 43.01 H new ATOM 0 HG2 GLU A 81 -24.428 7.107 -29.568 1.00 11.43 H new ATOM 0 HG3 GLU A 81 -25.918 7.464 -28.716 1.00 11.43 H new ATOM 1359 N ILE A 82 -23.489 11.804 -29.736 1.00 32.10 N ATOM 1360 CA ILE A 82 -23.434 13.257 -29.827 1.00 3.44 C ATOM 1361 C ILE A 82 -22.538 13.703 -30.977 1.00 42.23 C ATOM 1362 O ILE A 82 -22.790 14.725 -31.614 1.00 51.13 O ATOM 1363 CB ILE A 82 -22.920 13.883 -28.518 1.00 3.53 C ATOM 1364 CG1 ILE A 82 -21.658 13.161 -28.041 1.00 43.14 C ATOM 1365 CG2 ILE A 82 -24.000 13.836 -27.448 1.00 5.03 C ATOM 1366 CD1 ILE A 82 -20.978 13.838 -26.872 1.00 54.42 C ATOM 0 H ILE A 82 -23.252 11.429 -28.817 1.00 32.10 H new ATOM 0 HA ILE A 82 -24.452 13.600 -30.010 1.00 3.44 H new ATOM 0 HB ILE A 82 -22.668 14.927 -28.707 1.00 3.53 H new ATOM 0 HG12 ILE A 82 -21.918 12.141 -27.758 1.00 43.14 H new ATOM 0 HG13 ILE A 82 -20.954 13.092 -28.870 1.00 43.14 H new ATOM 0 HG21 ILE A 82 -23.621 14.282 -26.529 1.00 5.03 H new ATOM 0 HG22 ILE A 82 -24.874 14.392 -27.788 1.00 5.03 H new ATOM 0 HG23 ILE A 82 -24.280 12.800 -27.259 1.00 5.03 H new ATOM 0 HD11 ILE A 82 -20.092 13.271 -26.588 1.00 54.42 H new ATOM 0 HD12 ILE A 82 -20.686 14.849 -27.156 1.00 54.42 H new ATOM 0 HD13 ILE A 82 -21.666 13.883 -26.027 1.00 54.42 H new ATOM 1378 N ALA A 83 -21.489 12.928 -31.238 1.00 33.11 N ATOM 1379 CA ALA A 83 -20.558 13.241 -32.313 1.00 53.14 C ATOM 1380 C ALA A 83 -21.263 13.253 -33.665 1.00 72.00 C ATOM 1381 O ALA A 83 -21.131 14.203 -34.437 1.00 50.13 O ATOM 1382 CB ALA A 83 -19.410 12.242 -32.325 1.00 1.02 C ATOM 0 H ALA A 83 -21.264 12.079 -30.719 1.00 33.11 H new ATOM 0 HA ALA A 83 -20.157 14.238 -32.132 1.00 53.14 H new ATOM 0 HB1 ALA A 83 -18.722 12.488 -33.134 1.00 1.02 H new ATOM 0 HB2 ALA A 83 -18.881 12.284 -31.373 1.00 1.02 H new ATOM 0 HB3 ALA A 83 -19.804 11.237 -32.477 1.00 1.02 H new ATOM 1388 N ARG A 84 -22.013 12.192 -33.946 1.00 60.30 N ATOM 1389 CA ARG A 84 -22.738 12.080 -35.206 1.00 32.14 C ATOM 1390 C ARG A 84 -23.939 13.022 -35.227 1.00 41.33 C ATOM 1391 O ARG A 84 -24.187 13.702 -36.222 1.00 33.22 O ATOM 1392 CB ARG A 84 -23.202 10.639 -35.426 1.00 11.25 C ATOM 1393 CG ARG A 84 -22.509 9.946 -36.587 1.00 41.24 C ATOM 1394 CD ARG A 84 -22.200 8.493 -36.264 1.00 63.43 C ATOM 1395 NE ARG A 84 -21.861 7.727 -37.461 1.00 63.33 N ATOM 1396 CZ ARG A 84 -22.766 7.248 -38.307 1.00 62.51 C ATOM 1397 NH1 ARG A 84 -24.057 7.455 -38.090 1.00 70.01 N ATOM 1398 NH2 ARG A 84 -22.380 6.560 -39.374 1.00 31.11 N ATOM 0 H ARG A 84 -22.134 11.398 -33.318 1.00 60.30 H new ATOM 0 HA ARG A 84 -22.061 12.363 -36.012 1.00 32.14 H new ATOM 0 HB2 ARG A 84 -23.026 10.067 -34.515 1.00 11.25 H new ATOM 0 HB3 ARG A 84 -24.278 10.636 -35.602 1.00 11.25 H new ATOM 0 HG2 ARG A 84 -23.142 9.996 -37.473 1.00 41.24 H new ATOM 0 HG3 ARG A 84 -21.584 10.471 -36.826 1.00 41.24 H new ATOM 0 HD2 ARG A 84 -21.371 8.447 -35.557 1.00 63.43 H new ATOM 0 HD3 ARG A 84 -23.062 8.039 -35.775 1.00 63.43 H new ATOM 0 HE ARG A 84 -20.876 7.550 -37.658 1.00 63.33 H new ATOM 0 HH11 ARG A 84 -24.358 7.984 -37.271 1.00 70.01 H new ATOM 0 HH12 ARG A 84 -24.749 7.086 -38.742 1.00 70.01 H new ATOM 0 HH21 ARG A 84 -21.387 6.399 -39.545 1.00 31.11 H new ATOM 0 HH22 ARG A 84 -23.076 6.193 -40.023 1.00 31.11 H new ATOM 1412 N GLN A 85 -24.679 13.054 -34.124 1.00 4.34 N ATOM 1413 CA GLN A 85 -25.853 13.911 -34.018 1.00 34.25 C ATOM 1414 C GLN A 85 -25.503 15.359 -34.342 1.00 25.22 C ATOM 1415 O GLN A 85 -26.139 15.989 -35.187 1.00 15.24 O ATOM 1416 CB GLN A 85 -26.451 13.820 -32.612 1.00 44.40 C ATOM 1417 CG GLN A 85 -27.773 14.556 -32.465 1.00 13.43 C ATOM 1418 CD GLN A 85 -28.006 15.060 -31.054 1.00 13.22 C ATOM 1419 OE1 GLN A 85 -27.068 15.450 -30.359 1.00 23.31 O ATOM 1420 NE2 GLN A 85 -29.263 15.055 -30.624 1.00 41.30 N ATOM 0 H GLN A 85 -24.486 12.497 -33.292 1.00 4.34 H new ATOM 0 HA GLN A 85 -26.590 13.565 -34.743 1.00 34.25 H new ATOM 0 HB2 GLN A 85 -26.598 12.771 -32.356 1.00 44.40 H new ATOM 0 HB3 GLN A 85 -25.737 14.226 -31.895 1.00 44.40 H new ATOM 0 HG2 GLN A 85 -27.794 15.399 -33.156 1.00 13.43 H new ATOM 0 HG3 GLN A 85 -28.589 13.891 -32.749 1.00 13.43 H new ATOM 0 HE21 GLN A 85 -30.010 14.723 -31.235 1.00 41.30 H new ATOM 0 HE22 GLN A 85 -29.482 15.383 -29.683 1.00 41.30 H new ATOM 1429 N LEU A 86 -24.486 15.882 -33.665 1.00 23.33 N ATOM 1430 CA LEU A 86 -24.049 17.257 -33.881 1.00 0.03 C ATOM 1431 C LEU A 86 -23.078 17.342 -35.053 1.00 54.21 C ATOM 1432 O LEU A 86 -22.708 18.432 -35.487 1.00 50.44 O ATOM 1433 CB LEU A 86 -23.389 17.807 -32.615 1.00 53.23 C ATOM 1434 CG LEU A 86 -24.291 18.622 -31.688 1.00 4.12 C ATOM 1435 CD1 LEU A 86 -25.575 17.865 -31.390 1.00 41.03 C ATOM 1436 CD2 LEU A 86 -23.559 18.963 -30.397 1.00 60.13 C ATOM 0 H LEU A 86 -23.949 15.375 -32.962 1.00 23.33 H new ATOM 0 HA LEU A 86 -24.927 17.859 -34.117 1.00 0.03 H new ATOM 0 HB2 LEU A 86 -22.982 16.970 -32.049 1.00 53.23 H new ATOM 0 HB3 LEU A 86 -22.546 18.432 -32.911 1.00 53.23 H new ATOM 0 HG LEU A 86 -24.552 19.553 -32.192 1.00 4.12 H new ATOM 0 HD11 LEU A 86 -26.204 18.461 -30.729 1.00 41.03 H new ATOM 0 HD12 LEU A 86 -26.108 17.672 -32.321 1.00 41.03 H new ATOM 0 HD13 LEU A 86 -25.335 16.918 -30.906 1.00 41.03 H new ATOM 0 HD21 LEU A 86 -24.216 19.543 -29.749 1.00 60.13 H new ATOM 0 HD22 LEU A 86 -23.269 18.043 -29.890 1.00 60.13 H new ATOM 0 HD23 LEU A 86 -22.668 19.547 -30.627 1.00 60.13 H new ATOM 1448 N GLY A 87 -22.672 16.184 -35.564 1.00 44.55 N ATOM 1449 CA GLY A 87 -21.748 16.150 -36.684 1.00 32.11 C ATOM 1450 C GLY A 87 -20.378 16.689 -36.322 1.00 74.13 C ATOM 1451 O GLY A 87 -19.624 17.119 -37.195 1.00 71.01 O ATOM 0 H GLY A 87 -22.966 15.269 -35.223 1.00 44.55 H new ATOM 0 HA2 GLY A 87 -21.649 15.124 -37.039 1.00 32.11 H new ATOM 0 HA3 GLY A 87 -22.159 16.734 -37.508 1.00 32.11 H new ATOM 1455 N ARG A 88 -20.057 16.668 -35.034 1.00 4.33 N ATOM 1456 CA ARG A 88 -18.770 17.161 -34.559 1.00 60.02 C ATOM 1457 C ARG A 88 -17.630 16.289 -35.075 1.00 63.15 C ATOM 1458 O ARG A 88 -17.819 15.128 -35.440 1.00 3.24 O ATOM 1459 CB ARG A 88 -18.746 17.197 -33.029 1.00 51.00 C ATOM 1460 CG ARG A 88 -19.567 18.329 -32.434 1.00 53.12 C ATOM 1461 CD ARG A 88 -18.908 19.679 -32.670 1.00 52.40 C ATOM 1462 NE ARG A 88 -19.336 20.285 -33.929 1.00 73.31 N ATOM 1463 CZ ARG A 88 -18.922 21.475 -34.350 1.00 41.24 C ATOM 1464 NH1 ARG A 88 -18.074 22.183 -33.617 1.00 63.33 N ATOM 1465 NH2 ARG A 88 -19.356 21.958 -35.507 1.00 15.12 N ATOM 0 H ARG A 88 -20.670 16.315 -34.300 1.00 4.33 H new ATOM 0 HA ARG A 88 -18.633 18.172 -34.942 1.00 60.02 H new ATOM 0 HB2 ARG A 88 -19.120 16.248 -32.646 1.00 51.00 H new ATOM 0 HB3 ARG A 88 -17.714 17.292 -32.692 1.00 51.00 H new ATOM 0 HG2 ARG A 88 -20.564 18.328 -32.875 1.00 53.12 H new ATOM 0 HG3 ARG A 88 -19.692 18.166 -31.363 1.00 53.12 H new ATOM 0 HD2 ARG A 88 -19.149 20.349 -31.845 1.00 52.40 H new ATOM 0 HD3 ARG A 88 -17.825 19.557 -32.676 1.00 52.40 H new ATOM 0 HE ARG A 88 -19.988 19.766 -34.517 1.00 73.31 H new ATOM 0 HH11 ARG A 88 -17.738 21.814 -32.727 1.00 63.33 H new ATOM 0 HH12 ARG A 88 -17.758 23.096 -33.943 1.00 63.33 H new ATOM 0 HH21 ARG A 88 -20.008 21.416 -36.074 1.00 15.12 H new ATOM 0 HH22 ARG A 88 -19.038 22.872 -35.830 1.00 15.12 H new ATOM 1479 N PRO A 89 -16.416 16.859 -35.109 1.00 71.23 N ATOM 1480 CA PRO A 89 -15.221 16.152 -35.579 1.00 21.31 C ATOM 1481 C PRO A 89 -14.784 15.050 -34.618 1.00 55.33 C ATOM 1482 O PRO A 89 -13.776 14.382 -34.845 1.00 4.31 O ATOM 1483 CB PRO A 89 -14.160 17.253 -35.647 1.00 14.50 C ATOM 1484 CG PRO A 89 -14.614 18.277 -34.664 1.00 61.51 C ATOM 1485 CD PRO A 89 -16.117 18.239 -34.690 1.00 74.13 C ATOM 0 HA PRO A 89 -15.394 15.648 -36.530 1.00 21.31 H new ATOM 0 HB2 PRO A 89 -13.173 16.868 -35.391 1.00 14.50 H new ATOM 0 HB3 PRO A 89 -14.088 17.672 -36.651 1.00 14.50 H new ATOM 0 HG2 PRO A 89 -14.235 18.055 -33.666 1.00 61.51 H new ATOM 0 HG3 PRO A 89 -14.244 19.267 -34.932 1.00 61.51 H new ATOM 0 HD2 PRO A 89 -16.542 18.463 -33.711 1.00 74.13 H new ATOM 0 HD3 PRO A 89 -16.525 18.969 -35.389 1.00 74.13 H new ATOM 1493 N GLU A 90 -15.551 14.867 -33.548 1.00 62.20 N ATOM 1494 CA GLU A 90 -15.241 13.846 -32.554 1.00 62.34 C ATOM 1495 C GLU A 90 -14.100 14.298 -31.647 1.00 62.32 C ATOM 1496 O GLU A 90 -14.254 14.374 -30.428 1.00 55.03 O ATOM 1497 CB GLU A 90 -14.871 12.530 -33.241 1.00 23.51 C ATOM 1498 CG GLU A 90 -15.372 11.298 -32.506 1.00 33.55 C ATOM 1499 CD GLU A 90 -14.285 10.619 -31.695 1.00 0.55 C ATOM 1500 OE1 GLU A 90 -13.402 11.333 -31.174 1.00 32.41 O ATOM 1501 OE2 GLU A 90 -14.317 9.377 -31.583 1.00 24.33 O ATOM 0 H GLU A 90 -16.390 15.411 -33.347 1.00 62.20 H new ATOM 0 HA GLU A 90 -16.129 13.690 -31.941 1.00 62.34 H new ATOM 0 HB2 GLU A 90 -15.279 12.530 -34.252 1.00 23.51 H new ATOM 0 HB3 GLU A 90 -13.787 12.471 -33.335 1.00 23.51 H new ATOM 0 HG2 GLU A 90 -16.190 11.582 -31.844 1.00 33.55 H new ATOM 0 HG3 GLU A 90 -15.778 10.589 -33.228 1.00 33.55 H new ATOM 1508 N SER A 91 -12.954 14.595 -32.252 1.00 73.25 N ATOM 1509 CA SER A 91 -11.785 15.034 -31.500 1.00 50.33 C ATOM 1510 C SER A 91 -12.145 16.173 -30.551 1.00 32.25 C ATOM 1511 O SER A 91 -11.550 16.321 -29.483 1.00 75.20 O ATOM 1512 CB SER A 91 -10.676 15.483 -32.455 1.00 14.34 C ATOM 1513 OG SER A 91 -11.002 15.167 -33.797 1.00 53.23 O ATOM 0 H SER A 91 -12.811 14.539 -33.260 1.00 73.25 H new ATOM 0 HA SER A 91 -11.427 14.191 -30.909 1.00 50.33 H new ATOM 0 HB2 SER A 91 -10.521 16.558 -32.358 1.00 14.34 H new ATOM 0 HB3 SER A 91 -9.738 15.000 -32.182 1.00 14.34 H new ATOM 0 HG SER A 91 -10.279 15.465 -34.388 1.00 53.23 H new ATOM 1519 N THR A 92 -13.127 16.978 -30.948 1.00 51.21 N ATOM 1520 CA THR A 92 -13.568 18.104 -30.136 1.00 12.52 C ATOM 1521 C THR A 92 -14.325 17.628 -28.901 1.00 55.32 C ATOM 1522 O THR A 92 -14.092 18.113 -27.794 1.00 22.12 O ATOM 1523 CB THR A 92 -14.469 19.060 -30.941 1.00 23.52 C ATOM 1524 OG1 THR A 92 -13.749 19.583 -32.063 1.00 31.44 O ATOM 1525 CG2 THR A 92 -14.961 20.204 -30.068 1.00 62.21 C ATOM 0 H THR A 92 -13.632 16.870 -31.828 1.00 51.21 H new ATOM 0 HA THR A 92 -12.671 18.639 -29.825 1.00 12.52 H new ATOM 0 HB THR A 92 -15.333 18.498 -31.295 1.00 23.52 H new ATOM 0 HG1 THR A 92 -14.329 20.188 -32.571 1.00 31.44 H new ATOM 0 HG21 THR A 92 -15.595 20.866 -30.658 1.00 62.21 H new ATOM 0 HG22 THR A 92 -15.534 19.803 -29.232 1.00 62.21 H new ATOM 0 HG23 THR A 92 -14.107 20.764 -29.687 1.00 62.21 H new ATOM 1533 N ILE A 93 -15.232 16.678 -29.100 1.00 2.20 N ATOM 1534 CA ILE A 93 -16.022 16.136 -28.001 1.00 32.40 C ATOM 1535 C ILE A 93 -15.130 15.705 -26.842 1.00 41.52 C ATOM 1536 O ILE A 93 -15.413 16.005 -25.682 1.00 33.53 O ATOM 1537 CB ILE A 93 -16.869 14.933 -28.457 1.00 63.31 C ATOM 1538 CG1 ILE A 93 -17.847 15.355 -29.554 1.00 15.31 C ATOM 1539 CG2 ILE A 93 -17.617 14.333 -27.275 1.00 53.23 C ATOM 1540 CD1 ILE A 93 -18.929 16.296 -29.070 1.00 5.20 C ATOM 0 H ILE A 93 -15.438 16.268 -30.011 1.00 2.20 H new ATOM 0 HA ILE A 93 -16.687 16.933 -27.667 1.00 32.40 H new ATOM 0 HB ILE A 93 -16.202 14.173 -28.864 1.00 63.31 H new ATOM 0 HG12 ILE A 93 -17.292 15.836 -30.359 1.00 15.31 H new ATOM 0 HG13 ILE A 93 -18.313 14.465 -29.976 1.00 15.31 H new ATOM 0 HG21 ILE A 93 -18.211 13.484 -27.613 1.00 53.23 H new ATOM 0 HG22 ILE A 93 -16.902 13.999 -26.523 1.00 53.23 H new ATOM 0 HG23 ILE A 93 -18.275 15.086 -26.841 1.00 53.23 H new ATOM 0 HD11 ILE A 93 -19.586 16.553 -29.901 1.00 5.20 H new ATOM 0 HD12 ILE A 93 -19.509 15.810 -28.285 1.00 5.20 H new ATOM 0 HD13 ILE A 93 -18.472 17.203 -28.675 1.00 5.20 H new ATOM 1552 N TYR A 94 -14.050 15.003 -27.163 1.00 72.04 N ATOM 1553 CA TYR A 94 -13.115 14.530 -26.149 1.00 32.11 C ATOM 1554 C TYR A 94 -12.598 15.689 -25.303 1.00 42.33 C ATOM 1555 O TYR A 94 -12.309 15.527 -24.117 1.00 62.00 O ATOM 1556 CB TYR A 94 -11.943 13.801 -26.806 1.00 44.24 C ATOM 1557 CG TYR A 94 -11.875 12.330 -26.465 1.00 35.41 C ATOM 1558 CD1 TYR A 94 -12.861 11.450 -26.898 1.00 0.53 C ATOM 1559 CD2 TYR A 94 -10.829 11.817 -25.708 1.00 51.50 C ATOM 1560 CE1 TYR A 94 -12.806 10.106 -26.588 1.00 63.23 C ATOM 1561 CE2 TYR A 94 -10.764 10.474 -25.394 1.00 70.31 C ATOM 1562 CZ TYR A 94 -11.755 9.623 -25.836 1.00 62.30 C ATOM 1563 OH TYR A 94 -11.695 8.283 -25.525 1.00 3.01 O ATOM 0 H TYR A 94 -13.800 14.748 -28.118 1.00 72.04 H new ATOM 0 HA TYR A 94 -13.646 13.836 -25.497 1.00 32.11 H new ATOM 0 HB2 TYR A 94 -12.018 13.911 -27.888 1.00 44.24 H new ATOM 0 HB3 TYR A 94 -11.012 14.279 -26.501 1.00 44.24 H new ATOM 0 HD1 TYR A 94 -13.685 11.825 -27.487 1.00 0.53 H new ATOM 0 HD2 TYR A 94 -10.052 12.481 -25.359 1.00 51.50 H new ATOM 0 HE1 TYR A 94 -13.581 9.437 -26.932 1.00 63.23 H new ATOM 0 HE2 TYR A 94 -9.942 10.092 -24.806 1.00 70.31 H new ATOM 0 HH TYR A 94 -10.892 8.107 -24.991 1.00 3.01 H new