USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 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 THR OG1 : rot 180:sc=-0.00788 USER MOD Set 1.2: A 50 SER OG : rot -92:sc= 1.22 USER MOD Set 2.1: A 14 THR OG1 : rot -145:sc= -0.271 USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= -0.817 USER MOD Set 3.1: A 9 ASN : amide:sc= 1.09 K(o=0.33,f=1.3) USER MOD Set 3.2: A 41 ASN : amide:sc= 0.214 K(o=0.33,f=-1.4!) USER MOD Set 3.3: A 71 ASN : amide:sc= -0.973 K(o=0.33,f=1.3) USER MOD Single : A 11 THR OG1 : rot 13:sc= 0.443 USER MOD Single : A 12 SER OG : rot 180:sc= -2.2! USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= -0.285 (180deg=-0.289) USER MOD Single : A 17 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.2) USER MOD Single : A 34 THR OG1 : rot -153:sc= -0.285 USER MOD Single : A 36 THR OG1 : rot 145:sc= 1.92 USER MOD Single : A 43 THR OG1 : rot 10:sc= 0.873 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.698 K(o=-0.7,f=-5.2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 75:sc= 0.114 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 33:sc= 0.0462 USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.119 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -4.445 -12.379 18.139 1.00 4.54 N ATOM 164 CA GLY A 8 -5.049 -13.286 19.097 1.00 1.12 C ATOM 165 C GLY A 8 -6.564 -13.244 19.060 1.00 12.44 C ATOM 166 O GLY A 8 -7.154 -12.227 18.700 1.00 42.34 O ATOM 0 HA2 GLY A 8 -4.712 -14.302 18.893 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.706 -13.032 20.100 1.00 1.12 H new ATOM 170 N ASN A 9 -7.194 -14.353 19.432 1.00 51.20 N ATOM 171 CA ASN A 9 -8.650 -14.439 19.438 1.00 63.11 C ATOM 172 C ASN A 9 -9.130 -15.470 20.455 1.00 4.24 C ATOM 173 O ASN A 9 -8.791 -16.650 20.367 1.00 20.25 O ATOM 174 CB ASN A 9 -9.166 -14.804 18.044 1.00 62.31 C ATOM 175 CG ASN A 9 -10.643 -15.145 18.045 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.046 -16.210 17.576 1.00 73.41 O ATOM 177 ND2 ASN A 9 -11.459 -14.241 18.574 1.00 54.03 N ATOM 0 H ASN A 9 -6.720 -15.204 19.733 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.045 -13.463 19.721 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -8.989 -13.970 17.364 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.600 -15.653 17.661 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.464 -14.416 18.603 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.081 -13.372 18.951 1.00 54.03 H new ATOM 184 N VAL A 10 -9.923 -15.015 21.421 1.00 11.42 N ATOM 185 CA VAL A 10 -10.452 -15.897 22.454 1.00 24.54 C ATOM 186 C VAL A 10 -11.951 -16.109 22.282 1.00 65.31 C ATOM 187 O VAL A 10 -12.713 -15.152 22.141 1.00 73.33 O ATOM 188 CB VAL A 10 -10.182 -15.336 23.863 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.575 -16.350 24.927 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.721 -14.939 24.007 1.00 42.41 C ATOM 0 H VAL A 10 -10.213 -14.041 21.509 1.00 11.42 H new ATOM 0 HA VAL A 10 -9.939 -16.853 22.347 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.793 -14.444 24.003 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.377 -15.936 25.915 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.637 -16.580 24.836 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -9.993 -17.262 24.793 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.548 -14.545 25.008 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.089 -15.813 23.847 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.477 -14.175 23.269 1.00 42.41 H new ATOM 200 N THR A 11 -12.371 -17.371 22.294 1.00 10.10 N ATOM 201 CA THR A 11 -13.780 -17.709 22.139 1.00 34.03 C ATOM 202 C THR A 11 -14.198 -18.791 23.128 1.00 20.04 C ATOM 203 O THR A 11 -13.373 -19.310 23.880 1.00 73.43 O ATOM 204 CB THR A 11 -14.087 -18.191 20.708 1.00 22.23 C ATOM 205 OG1 THR A 11 -12.999 -18.978 20.212 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.331 -17.010 19.780 1.00 3.03 C ATOM 0 H THR A 11 -11.755 -18.175 22.410 1.00 10.10 H new ATOM 0 HA THR A 11 -14.347 -16.800 22.338 1.00 34.03 H new ATOM 0 HB THR A 11 -14.990 -18.800 20.739 1.00 22.23 H new ATOM 0 HG1 THR A 11 -12.399 -19.209 20.951 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.546 -17.375 18.776 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.179 -16.430 20.144 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.443 -16.378 19.754 1.00 3.03 H new ATOM 214 N SER A 12 -15.484 -19.126 23.122 1.00 72.20 N ATOM 215 CA SER A 12 -16.012 -20.145 24.022 1.00 63.13 C ATOM 216 C SER A 12 -16.249 -21.456 23.279 1.00 64.31 C ATOM 217 O SER A 12 -16.520 -21.464 22.078 1.00 41.10 O ATOM 218 CB SER A 12 -17.317 -19.665 24.660 1.00 31.13 C ATOM 219 OG SER A 12 -17.184 -19.546 26.066 1.00 24.24 O ATOM 0 H SER A 12 -16.179 -18.707 22.504 1.00 72.20 H new ATOM 0 HA SER A 12 -15.275 -20.320 24.806 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.600 -18.702 24.236 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.119 -20.365 24.425 1.00 31.13 H new ATOM 0 HG SER A 12 -18.031 -19.236 26.450 1.00 24.24 H new ATOM 225 N LYS A 13 -16.143 -22.566 24.002 1.00 44.22 N ATOM 226 CA LYS A 13 -16.346 -23.885 23.415 1.00 60.22 C ATOM 227 C LYS A 13 -17.792 -24.341 23.588 1.00 54.30 C ATOM 228 O LYS A 13 -18.095 -25.531 23.489 1.00 2.34 O ATOM 229 CB LYS A 13 -15.399 -24.902 24.055 1.00 51.22 C ATOM 230 CG LYS A 13 -15.287 -26.202 23.278 1.00 2.31 C ATOM 231 CD LYS A 13 -15.738 -27.391 24.110 1.00 13.33 C ATOM 232 CE LYS A 13 -14.582 -27.991 24.896 1.00 53.45 C ATOM 233 NZ LYS A 13 -15.048 -29.013 25.874 1.00 51.21 N1+ ATOM 0 H LYS A 13 -15.917 -22.578 24.997 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.130 -23.818 22.349 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.408 -24.456 24.146 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -15.744 -25.121 25.066 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -15.892 -26.139 22.374 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.255 -26.349 22.961 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -16.524 -27.078 24.798 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.169 -28.150 23.458 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -13.871 -28.446 24.206 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.051 -27.198 25.424 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -14.238 -29.361 26.425 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.746 -28.586 26.516 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -15.487 -29.806 25.364 1.00 51.21 H new ATOM 247 N THR A 14 -18.682 -23.388 23.845 1.00 41.41 N ATOM 248 CA THR A 14 -20.095 -23.691 24.031 1.00 75.14 C ATOM 249 C THR A 14 -20.867 -23.536 22.726 1.00 53.42 C ATOM 250 O THR A 14 -21.490 -24.483 22.245 1.00 1.11 O ATOM 251 CB THR A 14 -20.729 -22.783 25.101 1.00 22.31 C ATOM 252 OG1 THR A 14 -19.943 -21.597 25.264 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.840 -23.510 26.432 1.00 0.42 C ATOM 0 H THR A 14 -18.449 -22.399 23.929 1.00 41.41 H new ATOM 0 HA THR A 14 -20.154 -24.727 24.364 1.00 75.14 H new ATOM 0 HB THR A 14 -21.731 -22.512 24.769 1.00 22.31 H new ATOM 0 HG1 THR A 14 -19.957 -21.322 26.205 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.291 -22.848 27.172 1.00 0.42 H new ATOM 0 HG22 THR A 14 -21.462 -24.397 26.311 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.847 -23.807 26.768 1.00 0.42 H new ATOM 261 N ASP A 15 -20.822 -22.336 22.157 1.00 13.30 N ATOM 262 CA ASP A 15 -21.517 -22.057 20.905 1.00 3.24 C ATOM 263 C ASP A 15 -20.534 -21.615 19.825 1.00 54.23 C ATOM 264 O ASP A 15 -20.786 -21.790 18.634 1.00 30.21 O ATOM 265 CB ASP A 15 -22.580 -20.978 21.117 1.00 34.54 C ATOM 266 CG ASP A 15 -23.172 -20.485 19.812 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.017 -21.201 19.235 1.00 25.13 O ATOM 268 OD2 ASP A 15 -22.792 -19.382 19.367 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.312 -21.541 22.542 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.003 -22.975 20.575 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -23.376 -21.375 21.747 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.139 -20.138 21.653 1.00 34.54 H new ATOM 273 N GLY A 16 -19.413 -21.040 20.251 1.00 45.50 N ATOM 274 CA GLY A 16 -18.410 -20.581 19.308 1.00 13.14 C ATOM 275 C GLY A 16 -18.399 -19.073 19.162 1.00 50.04 C ATOM 276 O GLY A 16 -18.054 -18.548 18.104 1.00 53.34 O ATOM 0 H GLY A 16 -19.182 -20.884 21.232 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -17.427 -20.918 19.635 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -18.595 -21.036 18.335 1.00 13.14 H new ATOM 280 N GLN A 17 -18.778 -18.374 20.227 1.00 15.14 N ATOM 281 CA GLN A 17 -18.813 -16.916 20.212 1.00 71.43 C ATOM 282 C GLN A 17 -17.581 -16.335 20.897 1.00 32.32 C ATOM 283 O GLN A 17 -16.901 -17.003 21.677 1.00 12.20 O ATOM 284 CB GLN A 17 -20.081 -16.407 20.899 1.00 54.31 C ATOM 285 CG GLN A 17 -21.278 -16.304 19.967 1.00 63.40 C ATOM 286 CD GLN A 17 -21.436 -14.919 19.371 1.00 73.24 C ATOM 287 OE1 GLN A 17 -20.931 -14.637 18.285 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.141 -14.046 20.082 1.00 74.15 N ATOM 0 H GLN A 17 -19.065 -18.794 21.111 1.00 15.14 H new ATOM 0 HA GLN A 17 -18.816 -16.589 19.172 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.330 -17.074 21.724 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -19.882 -15.426 21.331 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.171 -17.032 19.162 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.184 -16.565 20.515 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.542 -14.323 20.978 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -22.282 -13.098 19.732 1.00 74.15 H new ATOM 297 N PRO A 18 -17.283 -15.061 20.601 1.00 51.11 N ATOM 298 CA PRO A 18 -16.132 -14.362 21.179 1.00 61.23 C ATOM 299 C PRO A 18 -16.313 -14.077 22.666 1.00 5.35 C ATOM 300 O PRO A 18 -17.392 -13.677 23.104 1.00 41.13 O ATOM 301 CB PRO A 18 -16.077 -13.054 20.387 1.00 11.54 C ATOM 302 CG PRO A 18 -17.474 -12.836 19.918 1.00 0.34 C ATOM 303 CD PRO A 18 -18.049 -14.205 19.680 1.00 14.12 C ATOM 0 HA PRO A 18 -15.220 -14.955 21.113 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.735 -12.228 21.010 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.385 -13.128 19.548 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.055 -12.293 20.663 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.491 -12.241 19.005 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.117 -14.236 19.897 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -17.925 -14.518 18.643 1.00 14.12 H new ATOM 311 N ILE A 19 -15.251 -14.286 23.438 1.00 51.31 N ATOM 312 CA ILE A 19 -15.294 -14.049 24.875 1.00 72.32 C ATOM 313 C ILE A 19 -14.962 -12.598 25.204 1.00 61.13 C ATOM 314 O ILE A 19 -13.918 -12.083 24.803 1.00 31.30 O ATOM 315 CB ILE A 19 -14.315 -14.971 25.627 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.670 -16.438 25.380 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.331 -14.659 27.116 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.022 -16.834 25.932 1.00 75.31 C ATOM 0 H ILE A 19 -14.351 -14.619 23.092 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.311 -14.269 25.200 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.308 -14.792 25.250 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.654 -16.632 24.307 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.904 -17.070 25.830 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.634 -15.319 27.633 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.034 -13.622 27.274 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.336 -14.812 27.509 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.207 -17.887 25.720 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.036 -16.673 27.010 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.798 -16.228 25.464 1.00 75.31 H new ATOM 330 N ILE A 20 -15.857 -11.943 25.936 1.00 0.14 N ATOM 331 CA ILE A 20 -15.658 -10.552 26.321 1.00 33.25 C ATOM 332 C ILE A 20 -15.264 -10.439 27.790 1.00 4.43 C ATOM 333 O ILE A 20 -16.055 -10.743 28.681 1.00 31.01 O ATOM 334 CB ILE A 20 -16.925 -9.712 26.075 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.483 -9.988 24.678 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.622 -8.232 26.248 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.751 -9.222 24.371 1.00 42.20 C ATOM 0 H ILE A 20 -16.727 -12.354 26.274 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.850 -10.166 25.700 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.679 -9.996 26.809 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.726 -9.733 23.936 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.680 -11.055 24.579 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.528 -7.652 26.071 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.267 -8.049 27.262 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.854 -7.932 25.535 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.089 -9.467 23.364 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.524 -9.494 25.090 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.555 -8.152 24.437 1.00 42.20 H new ATOM 349 N GLY A 21 -14.034 -9.997 28.035 1.00 4.13 N ATOM 350 CA GLY A 21 -13.556 -9.849 29.397 1.00 62.52 C ATOM 351 C GLY A 21 -12.679 -11.007 29.833 1.00 10.52 C ATOM 352 O GLY A 21 -12.680 -11.388 31.003 1.00 13.11 O ATOM 0 H GLY A 21 -13.360 -9.739 27.314 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -12.994 -8.919 29.482 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.409 -9.769 30.071 1.00 62.52 H new ATOM 356 N ALA A 22 -11.931 -11.568 28.889 1.00 14.24 N ATOM 357 CA ALA A 22 -11.046 -12.689 29.181 1.00 24.05 C ATOM 358 C ALA A 22 -9.684 -12.201 29.665 1.00 13.45 C ATOM 359 O ALA A 22 -8.976 -11.497 28.946 1.00 23.13 O ATOM 360 CB ALA A 22 -10.887 -13.571 27.952 1.00 63.11 C ATOM 0 H ALA A 22 -11.920 -11.265 27.915 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.497 -13.277 29.980 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.224 -14.404 28.185 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.862 -13.956 27.652 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.462 -12.986 27.137 1.00 63.11 H new ATOM 366 N SER A 23 -9.325 -12.581 30.887 1.00 20.43 N ATOM 367 CA SER A 23 -8.049 -12.178 31.468 1.00 45.41 C ATOM 368 C SER A 23 -6.894 -12.936 30.821 1.00 32.33 C ATOM 369 O SER A 23 -6.709 -14.129 31.059 1.00 40.44 O ATOM 370 CB SER A 23 -8.053 -12.423 32.978 1.00 52.44 C ATOM 371 OG SER A 23 -7.233 -11.482 33.649 1.00 21.24 O ATOM 0 H SER A 23 -9.899 -13.167 31.494 1.00 20.43 H new ATOM 0 HA SER A 23 -7.912 -11.113 31.280 1.00 45.41 H new ATOM 0 HB2 SER A 23 -9.073 -12.358 33.358 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.699 -13.433 33.187 1.00 52.44 H new ATOM 0 HG SER A 23 -7.254 -11.659 34.613 1.00 21.24 H new ATOM 377 N VAL A 24 -6.120 -12.233 30.000 1.00 70.10 N ATOM 378 CA VAL A 24 -4.982 -12.838 29.318 1.00 11.40 C ATOM 379 C VAL A 24 -3.664 -12.311 29.875 1.00 21.15 C ATOM 380 O VAL A 24 -3.280 -11.170 29.615 1.00 75.44 O ATOM 381 CB VAL A 24 -5.029 -12.571 27.802 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.860 -13.249 27.104 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.353 -13.042 27.220 1.00 64.12 C ATOM 0 H VAL A 24 -6.260 -11.245 29.791 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.043 -13.912 29.492 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.946 -11.497 27.637 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.910 -13.049 26.034 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.923 -12.860 27.502 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.908 -14.324 27.275 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.370 -12.846 26.148 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.467 -14.112 27.395 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.172 -12.506 27.700 1.00 64.12 H new ATOM 393 N VAL A 25 -2.974 -13.149 30.642 1.00 54.40 N ATOM 394 CA VAL A 25 -1.697 -12.768 31.234 1.00 74.22 C ATOM 395 C VAL A 25 -0.558 -13.611 30.673 1.00 74.52 C ATOM 396 O VAL A 25 -0.710 -14.812 30.456 1.00 52.34 O ATOM 397 CB VAL A 25 -1.724 -12.916 32.767 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.872 -12.115 33.361 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.828 -14.382 33.159 1.00 31.03 C ATOM 0 H VAL A 25 -3.278 -14.096 30.868 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.529 -11.721 30.980 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.791 -12.521 33.169 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.875 -12.232 34.445 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.749 -11.061 33.110 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.817 -12.477 32.955 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.846 -14.468 34.245 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.744 -14.805 32.747 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.969 -14.925 32.766 1.00 31.03 H new ATOM 409 N GLU A 26 0.585 -12.972 30.441 1.00 60.03 N ATOM 410 CA GLU A 26 1.751 -13.664 29.904 1.00 2.03 C ATOM 411 C GLU A 26 2.565 -14.307 31.024 1.00 74.12 C ATOM 412 O GLU A 26 2.841 -13.679 32.047 1.00 32.34 O ATOM 413 CB GLU A 26 2.629 -12.692 29.113 1.00 54.12 C ATOM 414 CG GLU A 26 3.435 -13.359 28.011 1.00 11.04 C ATOM 415 CD GLU A 26 4.485 -12.439 27.419 1.00 42.11 C ATOM 416 OE1 GLU A 26 5.217 -12.884 26.510 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.575 -11.276 27.863 1.00 73.20 O1- ATOM 0 H GLU A 26 0.728 -11.977 30.616 1.00 60.03 H new ATOM 0 HA GLU A 26 1.400 -14.450 29.236 1.00 2.03 H new ATOM 0 HB2 GLU A 26 1.997 -11.920 28.673 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.312 -12.192 29.799 1.00 54.12 H new ATOM 0 HG2 GLU A 26 3.921 -14.250 28.409 1.00 11.04 H new ATOM 0 HG3 GLU A 26 2.760 -13.690 27.222 1.00 11.04 H new ATOM 424 N THR A 27 2.947 -15.564 30.822 1.00 32.44 N ATOM 425 CA THR A 27 3.727 -16.294 31.814 1.00 21.42 C ATOM 426 C THR A 27 4.992 -15.530 32.188 1.00 43.23 C ATOM 427 O THR A 27 5.425 -15.551 33.341 1.00 52.43 O ATOM 428 CB THR A 27 4.119 -17.693 31.302 1.00 43.33 C ATOM 429 OG1 THR A 27 4.972 -17.575 30.158 1.00 43.23 O ATOM 430 CG2 THR A 27 2.883 -18.501 30.938 1.00 11.11 C ATOM 0 H THR A 27 2.729 -16.098 29.981 1.00 32.44 H new ATOM 0 HA THR A 27 3.096 -16.402 32.696 1.00 21.42 H new ATOM 0 HB THR A 27 4.651 -18.212 32.099 1.00 43.33 H new ATOM 0 HG1 THR A 27 5.218 -18.469 29.840 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.184 -19.485 30.579 1.00 11.11 H new ATOM 0 HG22 THR A 27 2.250 -18.614 31.818 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.328 -17.984 30.156 1.00 11.11 H new ATOM 438 N THR A 28 5.583 -14.854 31.207 1.00 30.42 N ATOM 439 CA THR A 28 6.799 -14.083 31.434 1.00 4.41 C ATOM 440 C THR A 28 6.486 -12.744 32.091 1.00 13.12 C ATOM 441 O THR A 28 7.350 -12.135 32.723 1.00 64.00 O ATOM 442 CB THR A 28 7.558 -13.831 30.117 1.00 64.03 C ATOM 443 OG1 THR A 28 6.857 -12.866 29.325 1.00 63.55 O ATOM 444 CG2 THR A 28 7.717 -15.123 29.329 1.00 20.21 C ATOM 0 H THR A 28 5.239 -14.825 30.247 1.00 30.42 H new ATOM 0 HA THR A 28 7.428 -14.673 32.100 1.00 4.41 H new ATOM 0 HB THR A 28 8.549 -13.449 30.361 1.00 64.03 H new ATOM 0 HG1 THR A 28 7.346 -12.710 28.490 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.256 -14.921 28.403 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.276 -15.845 29.924 1.00 20.21 H new ATOM 0 HG23 THR A 28 6.733 -15.530 29.095 1.00 20.21 H new ATOM 452 N ALA A 29 5.246 -12.290 31.940 1.00 21.15 N ATOM 453 CA ALA A 29 4.820 -11.024 32.522 1.00 63.21 C ATOM 454 C ALA A 29 3.299 -10.943 32.606 1.00 61.33 C ATOM 455 O ALA A 29 2.614 -10.846 31.587 1.00 2.51 O ATOM 456 CB ALA A 29 5.368 -9.859 31.710 1.00 62.41 C ATOM 0 H ALA A 29 4.519 -12.781 31.419 1.00 21.15 H new ATOM 0 HA ALA A 29 5.218 -10.966 33.535 1.00 63.21 H new ATOM 0 HB1 ALA A 29 5.042 -8.919 32.156 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.457 -9.900 31.705 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.998 -9.923 30.687 1.00 62.41 H new ATOM 462 N THR A 30 2.776 -10.985 33.827 1.00 64.05 N ATOM 463 CA THR A 30 1.336 -10.919 34.044 1.00 52.03 C ATOM 464 C THR A 30 0.858 -9.473 34.122 1.00 44.32 C ATOM 465 O THR A 30 -0.250 -9.150 33.692 1.00 33.44 O ATOM 466 CB THR A 30 0.928 -11.652 35.336 1.00 73.01 C ATOM 467 OG1 THR A 30 1.524 -11.014 36.471 1.00 1.52 O ATOM 468 CG2 THR A 30 1.355 -13.112 35.287 1.00 41.22 C ATOM 0 H THR A 30 3.328 -11.064 34.681 1.00 64.05 H new ATOM 0 HA THR A 30 0.865 -11.410 33.192 1.00 52.03 H new ATOM 0 HB THR A 30 -0.158 -11.609 35.424 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.258 -11.485 37.288 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.056 -13.610 36.210 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.877 -13.603 34.439 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.438 -13.171 35.177 1.00 41.22 H new ATOM 476 N THR A 31 1.701 -8.604 34.672 1.00 20.21 N ATOM 477 CA THR A 31 1.364 -7.193 34.806 1.00 74.23 C ATOM 478 C THR A 31 0.936 -6.600 33.468 1.00 5.21 C ATOM 479 O THR A 31 0.135 -5.668 33.420 1.00 44.33 O ATOM 480 CB THR A 31 2.552 -6.382 35.357 1.00 70.21 C ATOM 481 OG1 THR A 31 3.684 -6.521 34.492 1.00 65.04 O ATOM 482 CG2 THR A 31 2.919 -6.845 36.759 1.00 32.33 C ATOM 0 H THR A 31 2.622 -8.854 35.032 1.00 20.21 H new ATOM 0 HA THR A 31 0.534 -7.132 35.510 1.00 74.23 H new ATOM 0 HB THR A 31 2.257 -5.334 35.403 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.434 -6.001 34.849 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.760 -6.258 37.127 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.064 -6.710 37.422 1.00 32.33 H new ATOM 0 HG23 THR A 31 3.196 -7.899 36.733 1.00 32.33 H new ATOM 490 N ASN A 32 1.475 -7.148 32.384 1.00 33.34 N ATOM 491 CA ASN A 32 1.148 -6.673 31.044 1.00 52.15 C ATOM 492 C ASN A 32 0.016 -7.495 30.437 1.00 70.20 C ATOM 493 O ASN A 32 -0.048 -7.681 29.222 1.00 25.25 O ATOM 494 CB ASN A 32 2.382 -6.739 30.142 1.00 21.20 C ATOM 495 CG ASN A 32 3.310 -5.556 30.344 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.123 -4.756 31.261 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.317 -5.441 29.486 1.00 53.21 N ATOM 0 H ASN A 32 2.140 -7.921 32.407 1.00 33.34 H new ATOM 0 HA ASN A 32 0.819 -5.637 31.123 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.926 -7.662 30.342 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.065 -6.775 29.100 1.00 21.20 H new ATOM 0 HD21 ASN A 32 4.974 -4.666 29.572 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.433 -6.128 28.741 1.00 53.21 H new ATOM 504 N GLY A 33 -0.877 -7.985 31.291 1.00 61.22 N ATOM 505 CA GLY A 33 -1.996 -8.781 30.821 1.00 53.12 C ATOM 506 C GLY A 33 -3.049 -7.944 30.122 1.00 52.44 C ATOM 507 O GLY A 33 -3.345 -6.825 30.544 1.00 13.13 O ATOM 0 H GLY A 33 -0.846 -7.845 32.301 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.631 -9.547 30.136 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.450 -9.299 31.666 1.00 53.12 H new ATOM 511 N THR A 34 -3.618 -8.486 29.050 1.00 73.43 N ATOM 512 CA THR A 34 -4.642 -7.781 28.290 1.00 24.51 C ATOM 513 C THR A 34 -5.992 -8.480 28.406 1.00 64.20 C ATOM 514 O THR A 34 -6.078 -9.605 28.900 1.00 40.52 O ATOM 515 CB THR A 34 -4.261 -7.670 26.801 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.838 -7.738 26.654 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.775 -6.367 26.207 1.00 1.21 C ATOM 0 H THR A 34 -3.387 -9.411 28.689 1.00 73.43 H new ATOM 0 HA THR A 34 -4.716 -6.780 28.714 1.00 24.51 H new ATOM 0 HB THR A 34 -4.722 -8.501 26.267 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.570 -7.264 25.839 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.494 -6.311 25.155 1.00 1.21 H new ATOM 0 HG22 THR A 34 -5.861 -6.330 26.295 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.339 -5.525 26.745 1.00 1.21 H new ATOM 525 N ILE A 35 -7.043 -7.809 27.947 1.00 53.35 N ATOM 526 CA ILE A 35 -8.388 -8.368 27.998 1.00 41.13 C ATOM 527 C ILE A 35 -9.024 -8.396 26.613 1.00 31.20 C ATOM 528 O ILE A 35 -8.750 -7.538 25.773 1.00 21.21 O ATOM 529 CB ILE A 35 -9.294 -7.567 28.952 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.199 -6.071 28.644 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.914 -7.840 30.399 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.458 -5.303 28.983 1.00 62.41 C ATOM 0 H ILE A 35 -6.989 -6.877 27.536 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.293 -9.388 28.371 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.326 -7.886 28.802 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.363 -5.646 29.200 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.977 -5.940 27.585 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.564 -7.266 31.060 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.028 -8.903 30.611 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.877 -7.546 30.565 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.319 -4.250 28.739 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.293 -5.702 28.407 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.670 -5.404 30.047 1.00 62.41 H new ATOM 544 N THR A 36 -9.879 -9.387 26.381 1.00 11.05 N ATOM 545 CA THR A 36 -10.557 -9.527 25.098 1.00 11.35 C ATOM 546 C THR A 36 -11.654 -8.481 24.938 1.00 20.04 C ATOM 547 O THR A 36 -12.245 -8.033 25.920 1.00 42.14 O ATOM 548 CB THR A 36 -11.173 -10.930 24.938 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.835 -11.314 26.149 1.00 5.11 O ATOM 550 CG2 THR A 36 -10.104 -11.955 24.592 1.00 55.34 C ATOM 0 H THR A 36 -10.118 -10.105 27.065 1.00 11.05 H new ATOM 0 HA THR A 36 -9.803 -9.379 24.325 1.00 11.35 H new ATOM 0 HB THR A 36 -11.896 -10.895 24.123 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.632 -11.841 25.933 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.563 -12.938 24.484 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.621 -11.675 23.656 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.360 -11.988 25.388 1.00 55.34 H new ATOM 558 N ASP A 37 -11.921 -8.097 23.695 1.00 12.13 N ATOM 559 CA ASP A 37 -12.950 -7.104 23.406 1.00 12.53 C ATOM 560 C ASP A 37 -14.241 -7.776 22.951 1.00 15.53 C ATOM 561 O ASP A 37 -14.348 -9.002 22.949 1.00 0.31 O ATOM 562 CB ASP A 37 -12.461 -6.130 22.333 1.00 5.44 C ATOM 563 CG ASP A 37 -12.504 -6.732 20.942 1.00 34.54 C ATOM 564 OD1 ASP A 37 -12.595 -5.960 19.964 1.00 11.40 O ATOM 565 OD2 ASP A 37 -12.446 -7.974 20.832 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.440 -8.458 22.871 1.00 12.13 H new ATOM 0 HA ASP A 37 -13.154 -6.550 24.322 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -13.076 -5.230 22.356 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -11.440 -5.824 22.562 1.00 5.44 H new ATOM 570 N PHE A 38 -15.221 -6.964 22.567 1.00 33.31 N ATOM 571 CA PHE A 38 -16.507 -7.480 22.111 1.00 53.25 C ATOM 572 C PHE A 38 -16.323 -8.444 20.943 1.00 61.41 C ATOM 573 O PHE A 38 -17.096 -9.388 20.776 1.00 72.12 O ATOM 574 CB PHE A 38 -17.424 -6.328 21.697 1.00 35.41 C ATOM 575 CG PHE A 38 -18.193 -5.732 22.841 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.550 -5.975 22.983 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.559 -4.929 23.775 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.260 -5.429 24.035 1.00 20.23 C ATOM 579 CE2 PHE A 38 -18.264 -4.380 24.830 1.00 23.43 C ATOM 580 CZ PHE A 38 -19.616 -4.629 24.959 1.00 34.05 C ATOM 0 H PHE A 38 -15.149 -5.947 22.563 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.967 -8.022 22.937 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.825 -5.548 21.227 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -18.127 -6.686 20.945 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -20.059 -6.599 22.263 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -16.502 -4.730 23.678 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.317 -5.627 24.135 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -17.758 -3.757 25.552 1.00 23.43 H new ATOM 0 HZ PHE A 38 -20.169 -4.199 25.781 1.00 34.05 H new ATOM 590 N ASP A 39 -15.295 -8.200 20.138 1.00 22.51 N ATOM 591 CA ASP A 39 -15.008 -9.046 18.986 1.00 30.24 C ATOM 592 C ASP A 39 -14.348 -10.351 19.420 1.00 3.40 C ATOM 593 O ASP A 39 -14.335 -11.330 18.675 1.00 20.40 O ATOM 594 CB ASP A 39 -14.105 -8.308 17.996 1.00 73.22 C ATOM 595 CG ASP A 39 -14.799 -7.123 17.352 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.138 -7.214 16.153 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.004 -6.106 18.047 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.646 -7.423 20.262 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.953 -9.283 18.497 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.209 -7.964 18.513 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.779 -9.000 17.220 1.00 73.22 H new ATOM 602 N GLY A 40 -13.798 -10.355 20.631 1.00 73.03 N ATOM 603 CA GLY A 40 -13.142 -11.544 21.143 1.00 73.43 C ATOM 604 C GLY A 40 -11.648 -11.538 20.888 1.00 75.31 C ATOM 605 O GLY A 40 -11.030 -12.593 20.751 1.00 64.34 O ATOM 0 H GLY A 40 -13.795 -9.557 21.266 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.324 -11.622 22.215 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.583 -12.426 20.679 1.00 73.43 H new ATOM 609 N ASN A 41 -11.066 -10.345 20.821 1.00 12.43 N ATOM 610 CA ASN A 41 -9.635 -10.205 20.578 1.00 23.51 C ATOM 611 C ASN A 41 -9.024 -9.160 21.507 1.00 23.24 C ATOM 612 O ASN A 41 -9.730 -8.311 22.053 1.00 21.02 O ATOM 613 CB ASN A 41 -9.380 -9.818 19.119 1.00 52.24 C ATOM 614 CG ASN A 41 -10.322 -10.521 18.162 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.358 -11.749 18.097 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.092 -9.741 17.411 1.00 22.41 N ATOM 0 H ASN A 41 -11.563 -9.461 20.932 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.162 -11.166 20.781 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -9.491 -8.739 19.007 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -8.351 -10.061 18.856 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.746 -10.157 16.748 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.029 -8.727 17.498 1.00 22.41 H new ATOM 623 N PHE A 42 -7.709 -9.228 21.682 1.00 71.21 N ATOM 624 CA PHE A 42 -7.003 -8.289 22.545 1.00 52.03 C ATOM 625 C PHE A 42 -5.669 -7.879 21.927 1.00 31.22 C ATOM 626 O PHE A 42 -5.209 -8.482 20.957 1.00 60.33 O ATOM 627 CB PHE A 42 -6.769 -8.908 23.924 1.00 2.54 C ATOM 628 CG PHE A 42 -6.043 -10.222 23.877 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.680 -10.284 24.116 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.724 -11.395 23.593 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.009 -11.492 24.073 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.059 -12.605 23.549 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.699 -12.654 23.788 1.00 22.53 C ATOM 0 H PHE A 42 -7.110 -9.924 21.237 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.622 -7.399 22.654 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -6.198 -8.209 24.535 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.731 -9.051 24.417 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.135 -9.378 24.338 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.787 -11.363 23.404 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -2.946 -11.527 24.262 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.602 -13.512 23.328 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.177 -13.599 23.752 1.00 22.53 H new ATOM 643 N THR A 43 -5.053 -6.847 22.495 1.00 70.14 N ATOM 644 CA THR A 43 -3.774 -6.354 22.000 1.00 1.25 C ATOM 645 C THR A 43 -2.647 -6.671 22.976 1.00 72.34 C ATOM 646 O THR A 43 -2.634 -6.181 24.106 1.00 32.41 O ATOM 647 CB THR A 43 -3.814 -4.833 21.756 1.00 55.40 C ATOM 648 OG1 THR A 43 -3.930 -4.140 23.004 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.980 -4.461 20.853 1.00 0.43 C ATOM 0 H THR A 43 -5.419 -6.336 23.298 1.00 70.14 H new ATOM 0 HA THR A 43 -3.585 -6.861 21.054 1.00 1.25 H new ATOM 0 HB THR A 43 -2.886 -4.541 21.264 1.00 55.40 H new ATOM 0 HG1 THR A 43 -3.797 -4.771 23.742 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.988 -3.383 20.695 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.873 -4.968 19.894 1.00 0.43 H new ATOM 0 HG23 THR A 43 -5.915 -4.766 21.322 1.00 0.43 H new ATOM 657 N LEU A 44 -1.701 -7.493 22.534 1.00 30.33 N ATOM 658 CA LEU A 44 -0.568 -7.875 23.370 1.00 30.51 C ATOM 659 C LEU A 44 0.713 -7.958 22.546 1.00 15.23 C ATOM 660 O LEU A 44 0.895 -8.882 21.754 1.00 43.42 O ATOM 661 CB LEU A 44 -0.840 -9.219 24.048 1.00 2.24 C ATOM 662 CG LEU A 44 -0.293 -9.378 25.467 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.524 -10.793 25.973 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.187 -9.029 25.510 1.00 72.23 C ATOM 0 H LEU A 44 -1.696 -7.907 21.602 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.437 -7.109 24.134 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.918 -9.378 24.076 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.418 -10.009 23.427 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.827 -8.689 26.121 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -0.128 -10.887 26.984 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.593 -11.007 25.980 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -0.017 -11.501 25.318 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.559 -9.148 26.527 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.737 -9.693 24.843 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.327 -7.996 25.191 1.00 72.23 H new ATOM 676 N SER A 45 1.599 -6.986 22.739 1.00 73.42 N ATOM 677 CA SER A 45 2.862 -6.948 22.013 1.00 30.11 C ATOM 678 C SER A 45 4.026 -7.317 22.928 1.00 54.45 C ATOM 679 O SER A 45 4.274 -6.654 23.935 1.00 53.14 O ATOM 680 CB SER A 45 3.090 -5.558 21.416 1.00 12.24 C ATOM 681 OG SER A 45 4.387 -5.449 20.856 1.00 52.35 O ATOM 0 H SER A 45 1.465 -6.214 23.392 1.00 73.42 H new ATOM 0 HA SER A 45 2.810 -7.679 21.206 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.342 -5.361 20.648 1.00 12.24 H new ATOM 0 HB3 SER A 45 2.960 -4.801 22.189 1.00 12.24 H new ATOM 0 HG SER A 45 4.507 -4.552 20.480 1.00 52.35 H new ATOM 687 N VAL A 46 4.738 -8.381 22.569 1.00 11.02 N ATOM 688 CA VAL A 46 5.877 -8.840 23.356 1.00 13.10 C ATOM 689 C VAL A 46 7.102 -9.055 22.475 1.00 41.33 C ATOM 690 O VAL A 46 6.999 -9.278 21.268 1.00 34.03 O ATOM 691 CB VAL A 46 5.554 -10.151 24.098 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.704 -9.873 25.328 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.857 -11.132 23.167 1.00 21.52 C ATOM 0 H VAL A 46 4.546 -8.941 21.738 1.00 11.02 H new ATOM 0 HA VAL A 46 6.092 -8.061 24.087 1.00 13.10 H new ATOM 0 HB VAL A 46 6.490 -10.602 24.428 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.486 -10.811 25.839 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.246 -9.210 26.002 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.770 -9.399 25.025 1.00 64.43 H new ATOM 0 HG21 VAL A 46 4.636 -12.052 23.708 1.00 21.52 H new ATOM 0 HG22 VAL A 46 3.928 -10.692 22.805 1.00 21.52 H new ATOM 0 HG23 VAL A 46 5.507 -11.355 22.321 1.00 21.52 H new ATOM 703 N PRO A 47 8.292 -8.989 23.090 1.00 12.13 N ATOM 704 CA PRO A 47 9.561 -9.175 22.381 1.00 2.21 C ATOM 705 C PRO A 47 9.766 -10.617 21.927 1.00 41.24 C ATOM 706 O PRO A 47 10.117 -10.872 20.775 1.00 33.23 O ATOM 707 CB PRO A 47 10.611 -8.789 23.425 1.00 32.44 C ATOM 708 CG PRO A 47 9.948 -9.031 24.737 1.00 60.01 C ATOM 709 CD PRO A 47 8.490 -8.728 24.525 1.00 52.01 C ATOM 0 HA PRO A 47 9.609 -8.580 21.469 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.513 -9.391 23.320 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.910 -7.746 23.319 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.089 -10.062 25.062 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.371 -8.392 25.512 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.854 -9.364 25.141 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.253 -7.696 24.782 1.00 52.01 H new ATOM 717 N VAL A 48 9.544 -11.557 22.841 1.00 62.33 N ATOM 718 CA VAL A 48 9.703 -12.973 22.534 1.00 40.41 C ATOM 719 C VAL A 48 8.352 -13.640 22.303 1.00 23.10 C ATOM 720 O VAL A 48 7.305 -13.014 22.461 1.00 71.24 O ATOM 721 CB VAL A 48 10.442 -13.713 23.665 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.795 -13.070 23.930 1.00 61.40 C ATOM 723 CG2 VAL A 48 9.596 -13.733 24.929 1.00 30.33 C ATOM 0 H VAL A 48 9.254 -11.363 23.799 1.00 62.33 H new ATOM 0 HA VAL A 48 10.296 -13.035 21.622 1.00 40.41 H new ATOM 0 HB VAL A 48 10.612 -14.743 23.351 1.00 11.01 H new ATOM 0 HG11 VAL A 48 12.302 -13.607 24.732 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.401 -13.112 23.025 1.00 61.40 H new ATOM 0 HG13 VAL A 48 11.652 -12.030 24.223 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.133 -14.260 25.718 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.394 -12.710 25.248 1.00 30.33 H new ATOM 0 HG23 VAL A 48 8.654 -14.243 24.728 1.00 30.33 H new ATOM 733 N ASN A 49 8.384 -14.915 21.930 1.00 53.04 N ATOM 734 CA ASN A 49 7.161 -15.668 21.677 1.00 3.42 C ATOM 735 C ASN A 49 6.891 -16.662 22.803 1.00 15.14 C ATOM 736 O ASN A 49 6.803 -17.868 22.573 1.00 41.55 O ATOM 737 CB ASN A 49 7.260 -16.409 20.342 1.00 63.41 C ATOM 738 CG ASN A 49 8.432 -17.371 20.300 1.00 20.23 C ATOM 739 OD1 ASN A 49 9.131 -17.559 21.295 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.652 -17.985 19.143 1.00 2.13 N ATOM 0 H ASN A 49 9.243 -15.448 21.796 1.00 53.04 H new ATOM 0 HA ASN A 49 6.332 -14.961 21.633 1.00 3.42 H new ATOM 0 HB2 ASN A 49 6.336 -16.959 20.165 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.359 -15.684 19.534 1.00 63.41 H new ATOM 0 HD21 ASN A 49 9.426 -18.643 19.054 1.00 2.13 H new ATOM 0 HD22 ASN A 49 8.047 -17.799 18.344 1.00 2.13 H new ATOM 747 N SER A 50 6.759 -16.145 24.021 1.00 44.25 N ATOM 748 CA SER A 50 6.502 -16.987 25.184 1.00 32.14 C ATOM 749 C SER A 50 5.070 -17.513 25.168 1.00 64.13 C ATOM 750 O SER A 50 4.353 -17.369 24.177 1.00 43.22 O ATOM 751 CB SER A 50 6.755 -16.203 26.473 1.00 24.20 C ATOM 752 OG SER A 50 5.596 -15.492 26.874 1.00 2.44 O ATOM 0 H SER A 50 6.826 -15.148 24.228 1.00 44.25 H new ATOM 0 HA SER A 50 7.183 -17.837 25.144 1.00 32.14 H new ATOM 0 HB2 SER A 50 7.058 -16.888 27.265 1.00 24.20 H new ATOM 0 HB3 SER A 50 7.579 -15.506 26.322 1.00 24.20 H new ATOM 0 HG SER A 50 5.619 -14.588 26.495 1.00 2.44 H new ATOM 758 N THR A 51 4.658 -18.124 26.275 1.00 5.13 N ATOM 759 CA THR A 51 3.313 -18.673 26.390 1.00 65.34 C ATOM 760 C THR A 51 2.338 -17.631 26.927 1.00 50.11 C ATOM 761 O THR A 51 2.728 -16.718 27.656 1.00 60.11 O ATOM 762 CB THR A 51 3.287 -19.907 27.311 1.00 55.53 C ATOM 763 OG1 THR A 51 4.582 -20.517 27.350 1.00 72.33 O ATOM 764 CG2 THR A 51 2.259 -20.920 26.829 1.00 1.44 C ATOM 0 H THR A 51 5.237 -18.251 27.105 1.00 5.13 H new ATOM 0 HA THR A 51 3.006 -18.971 25.387 1.00 65.34 H new ATOM 0 HB THR A 51 3.010 -19.579 28.313 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.557 -21.300 27.939 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.259 -21.783 27.495 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.270 -20.462 26.828 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.511 -21.242 25.819 1.00 1.44 H new ATOM 772 N LEU A 52 1.068 -17.773 26.564 1.00 33.00 N ATOM 773 CA LEU A 52 0.036 -16.844 27.010 1.00 60.43 C ATOM 774 C LEU A 52 -1.072 -17.580 27.757 1.00 61.44 C ATOM 775 O LEU A 52 -1.709 -18.483 27.214 1.00 62.04 O ATOM 776 CB LEU A 52 -0.552 -16.091 25.816 1.00 25.32 C ATOM 777 CG LEU A 52 0.192 -14.825 25.389 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.653 -15.135 25.103 1.00 0.43 C ATOM 779 CD2 LEU A 52 -0.471 -14.203 24.169 1.00 44.14 C ATOM 0 H LEU A 52 0.728 -18.523 25.962 1.00 33.00 H new ATOM 0 HA LEU A 52 0.496 -16.128 27.691 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.589 -16.771 24.965 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.581 -15.821 26.053 1.00 25.32 H new ATOM 0 HG LEU A 52 0.148 -14.107 26.208 1.00 24.22 H new ATOM 0 HD11 LEU A 52 2.166 -14.222 24.801 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.123 -15.535 26.002 1.00 0.43 H new ATOM 0 HD13 LEU A 52 1.719 -15.871 24.301 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.072 -13.303 23.879 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.458 -14.916 23.345 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -1.502 -13.944 24.408 1.00 44.14 H new ATOM 791 N LYS A 53 -1.299 -17.186 29.006 1.00 74.15 N ATOM 792 CA LYS A 53 -2.332 -17.804 29.828 1.00 74.21 C ATOM 793 C LYS A 53 -3.618 -16.983 29.794 1.00 31.10 C ATOM 794 O LYS A 53 -3.617 -15.798 30.129 1.00 13.00 O ATOM 795 CB LYS A 53 -1.845 -17.950 31.271 1.00 14.13 C ATOM 796 CG LYS A 53 -2.926 -18.411 32.234 1.00 13.04 C ATOM 797 CD LYS A 53 -2.339 -19.189 33.400 1.00 71.31 C ATOM 798 CE LYS A 53 -3.336 -19.322 34.540 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.781 -20.110 35.675 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.781 -16.441 29.471 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.542 -18.793 29.421 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -1.020 -18.661 31.297 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.451 -16.992 31.611 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.472 -17.546 32.611 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.645 -19.036 31.704 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.037 -20.180 33.062 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.440 -18.687 33.758 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.620 -18.330 34.891 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -4.244 -19.802 34.174 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.492 -20.177 36.431 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.534 -21.065 35.346 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.929 -19.639 36.041 1.00 24.22 H new ATOM 813 N ILE A 54 -4.711 -17.621 29.391 1.00 64.31 N ATOM 814 CA ILE A 54 -6.003 -16.950 29.317 1.00 34.23 C ATOM 815 C ILE A 54 -7.003 -17.575 30.284 1.00 24.45 C ATOM 816 O ILE A 54 -7.152 -18.796 30.339 1.00 52.53 O ATOM 817 CB ILE A 54 -6.583 -17.002 27.891 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.621 -16.342 26.901 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.944 -16.324 27.848 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.577 -17.289 26.351 1.00 73.40 C ATOM 0 H ILE A 54 -4.728 -18.602 29.111 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.835 -15.909 29.594 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.710 -18.046 27.604 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -6.194 -15.925 26.073 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -5.120 -15.509 27.394 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.341 -16.369 26.834 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.626 -16.834 28.528 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.841 -15.282 28.152 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.930 -16.754 25.656 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.979 -17.687 27.171 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.069 -18.110 25.829 1.00 73.40 H new ATOM 832 N THR A 55 -7.689 -16.728 31.045 1.00 53.10 N ATOM 833 CA THR A 55 -8.676 -17.196 32.010 1.00 62.11 C ATOM 834 C THR A 55 -9.871 -16.251 32.076 1.00 50.41 C ATOM 835 O THR A 55 -9.711 -15.031 32.059 1.00 11.34 O ATOM 836 CB THR A 55 -8.065 -17.332 33.418 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.754 -16.037 33.944 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.807 -18.186 33.381 1.00 13.32 C ATOM 0 H THR A 55 -7.579 -15.714 31.012 1.00 53.10 H new ATOM 0 HA THR A 55 -9.010 -18.177 31.671 1.00 62.11 H new ATOM 0 HB THR A 55 -8.797 -17.819 34.063 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.368 -16.132 34.840 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.393 -18.268 34.386 1.00 13.32 H new ATOM 0 HG22 THR A 55 -7.053 -19.180 33.008 1.00 13.32 H new ATOM 0 HG23 THR A 55 -6.072 -17.723 32.723 1.00 13.32 H new ATOM 846 N TYR A 56 -11.067 -16.823 32.153 1.00 11.42 N ATOM 847 CA TYR A 56 -12.290 -16.032 32.220 1.00 11.02 C ATOM 848 C TYR A 56 -13.260 -16.614 33.244 1.00 62.40 C ATOM 849 O TYR A 56 -13.582 -17.802 33.204 1.00 41.44 O ATOM 850 CB TYR A 56 -12.958 -15.969 30.846 1.00 44.12 C ATOM 851 CG TYR A 56 -14.175 -15.073 30.804 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.174 -13.837 31.440 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.326 -15.461 30.130 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.284 -13.015 31.406 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.439 -14.645 30.089 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.414 -13.423 30.728 1.00 31.42 C ATOM 857 OH TYR A 56 -17.522 -12.608 30.691 1.00 41.25 O ATOM 0 H TYR A 56 -11.216 -17.832 32.171 1.00 11.42 H new ATOM 0 HA TYR A 56 -12.023 -15.023 32.533 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.232 -15.615 30.114 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.248 -16.976 30.546 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.290 -13.514 31.970 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.351 -16.418 29.629 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.267 -12.059 31.907 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.325 -14.962 29.559 1.00 41.03 H new ATOM 0 HH TYR A 56 -17.361 -11.864 30.073 1.00 41.25 H new ATOM 867 N ILE A 57 -13.723 -15.768 34.158 1.00 62.21 N ATOM 868 CA ILE A 57 -14.658 -16.197 35.191 1.00 35.22 C ATOM 869 C ILE A 57 -15.853 -16.924 34.583 1.00 41.02 C ATOM 870 O ILE A 57 -16.592 -16.359 33.778 1.00 74.23 O ATOM 871 CB ILE A 57 -15.165 -15.004 36.022 1.00 72.44 C ATOM 872 CG1 ILE A 57 -16.197 -15.472 37.050 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.761 -13.940 35.112 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.665 -16.514 38.009 1.00 34.03 C ATOM 0 H ILE A 57 -13.466 -14.782 34.204 1.00 62.21 H new ATOM 0 HA ILE A 57 -14.115 -16.879 35.845 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.321 -14.567 36.556 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.547 -14.611 37.619 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -17.061 -15.880 36.526 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -16.115 -13.103 35.714 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -15.000 -13.589 34.415 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.596 -14.364 34.554 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.450 -16.799 38.709 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.341 -17.392 37.450 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.819 -16.103 38.560 1.00 34.03 H new ATOM 886 N GLY A 58 -16.038 -18.180 34.977 1.00 41.22 N ATOM 887 CA GLY A 58 -17.146 -18.964 34.463 1.00 34.45 C ATOM 888 C GLY A 58 -16.695 -20.281 33.863 1.00 45.03 C ATOM 889 O GLY A 58 -17.225 -21.339 34.202 1.00 23.42 O ATOM 0 H GLY A 58 -15.440 -18.669 35.643 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.854 -19.159 35.269 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.676 -18.386 33.706 1.00 34.45 H new ATOM 893 N TYR A 59 -15.716 -20.217 32.967 1.00 61.23 N ATOM 894 CA TYR A 59 -15.198 -21.414 32.316 1.00 30.13 C ATOM 895 C TYR A 59 -13.798 -21.748 32.824 1.00 1.25 C ATOM 896 O TYR A 59 -13.177 -20.957 33.533 1.00 60.34 O ATOM 897 CB TYR A 59 -15.169 -21.222 30.798 1.00 42.25 C ATOM 898 CG TYR A 59 -16.540 -21.229 30.161 1.00 43.24 C ATOM 899 CD1 TYR A 59 -16.899 -22.217 29.251 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.476 -20.249 30.467 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.150 -22.228 28.666 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.730 -20.253 29.888 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.062 -21.244 28.987 1.00 4.31 C ATOM 904 OH TYR A 59 -20.310 -21.251 28.407 1.00 24.41 O ATOM 0 H TYR A 59 -15.266 -19.349 32.675 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.861 -22.245 32.559 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.676 -20.277 30.569 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.566 -22.013 30.352 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.188 -22.989 28.997 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.219 -19.470 31.170 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.413 -23.003 27.961 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.447 -19.485 30.139 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.830 -20.491 28.741 1.00 24.41 H new ATOM 914 N LYS A 60 -13.308 -22.927 32.455 1.00 52.23 N ATOM 915 CA LYS A 60 -11.982 -23.368 32.870 1.00 72.32 C ATOM 916 C LYS A 60 -10.895 -22.552 32.177 1.00 51.35 C ATOM 917 O LYS A 60 -11.112 -21.952 31.125 1.00 73.04 O ATOM 918 CB LYS A 60 -11.796 -24.855 32.557 1.00 13.13 C ATOM 919 CG LYS A 60 -12.321 -25.776 33.645 1.00 75.30 C ATOM 920 CD LYS A 60 -11.575 -27.099 33.663 1.00 4.44 C ATOM 921 CE LYS A 60 -11.988 -27.988 32.499 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.770 -29.430 32.798 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.810 -23.594 31.869 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.896 -23.215 33.946 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.303 -25.087 31.620 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.736 -25.055 32.403 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.222 -25.288 34.615 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.384 -25.959 33.487 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -10.502 -26.913 33.618 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -11.770 -27.615 34.603 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -13.040 -27.820 32.269 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.420 -27.711 31.611 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -12.063 -30.002 31.981 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -10.762 -29.596 32.993 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -12.332 -29.701 33.630 1.00 3.41 H new ATOM 936 N PRO A 61 -9.697 -22.529 32.779 1.00 20.42 N ATOM 937 CA PRO A 61 -8.552 -21.791 32.236 1.00 52.34 C ATOM 938 C PRO A 61 -8.008 -22.424 30.960 1.00 43.11 C ATOM 939 O PRO A 61 -8.318 -23.572 30.643 1.00 71.32 O ATOM 940 CB PRO A 61 -7.514 -21.872 33.358 1.00 12.55 C ATOM 941 CG PRO A 61 -7.870 -23.104 34.116 1.00 64.21 C ATOM 942 CD PRO A 61 -9.367 -23.221 34.036 1.00 62.33 C ATOM 0 HA PRO A 61 -8.819 -20.772 31.956 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.502 -21.932 32.957 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.552 -20.990 33.997 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.386 -23.981 33.685 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.539 -23.034 35.152 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.688 -24.262 34.018 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.853 -22.753 34.892 1.00 62.33 H new ATOM 950 N VAL A 62 -7.194 -21.667 30.231 1.00 41.12 N ATOM 951 CA VAL A 62 -6.605 -22.154 28.989 1.00 22.22 C ATOM 952 C VAL A 62 -5.262 -21.486 28.719 1.00 13.54 C ATOM 953 O VAL A 62 -5.041 -20.335 29.097 1.00 74.11 O ATOM 954 CB VAL A 62 -7.540 -21.907 27.790 1.00 23.31 C ATOM 955 CG1 VAL A 62 -7.752 -20.417 27.576 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.980 -22.560 26.535 1.00 33.21 C ATOM 0 H VAL A 62 -6.927 -20.714 30.479 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.456 -23.227 29.108 1.00 22.22 H new ATOM 0 HB VAL A 62 -8.508 -22.359 28.007 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.415 -20.262 26.725 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.200 -19.981 28.469 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -6.793 -19.937 27.381 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.653 -22.376 25.698 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -6.000 -22.139 26.312 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.886 -23.634 26.695 1.00 33.21 H new ATOM 966 N THR A 63 -4.366 -22.215 28.060 1.00 11.33 N ATOM 967 CA THR A 63 -3.044 -21.693 27.739 1.00 11.40 C ATOM 968 C THR A 63 -2.694 -21.945 26.277 1.00 54.21 C ATOM 969 O THR A 63 -2.863 -23.054 25.770 1.00 35.44 O ATOM 970 CB THR A 63 -1.959 -22.325 28.631 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.030 -23.753 28.552 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.122 -21.883 30.078 1.00 60.11 C ATOM 0 H THR A 63 -4.532 -23.169 27.738 1.00 11.33 H new ATOM 0 HA THR A 63 -3.075 -20.619 27.923 1.00 11.40 H new ATOM 0 HB THR A 63 -0.986 -21.990 28.273 1.00 13.53 H new ATOM 0 HG1 THR A 63 -2.317 -24.017 27.653 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.344 -22.342 30.688 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.038 -20.798 30.139 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.101 -22.192 30.445 1.00 60.11 H new ATOM 980 N VAL A 64 -2.204 -20.909 25.603 1.00 54.51 N ATOM 981 CA VAL A 64 -1.828 -21.019 24.199 1.00 53.21 C ATOM 982 C VAL A 64 -0.512 -20.301 23.924 1.00 13.32 C ATOM 983 O VAL A 64 0.021 -19.606 24.790 1.00 10.04 O ATOM 984 CB VAL A 64 -2.919 -20.439 23.279 1.00 74.21 C ATOM 985 CG1 VAL A 64 -4.193 -21.264 23.375 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.189 -18.983 23.626 1.00 14.45 C ATOM 0 H VAL A 64 -2.058 -19.984 26.007 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.710 -22.081 23.985 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.563 -20.483 22.250 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.952 -20.839 22.718 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.985 -22.291 23.073 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.556 -21.255 24.403 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.962 -18.589 22.966 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.524 -18.912 24.661 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.275 -18.403 23.500 1.00 14.45 H new ATOM 996 N LYS A 65 0.008 -20.472 22.714 1.00 23.50 N ATOM 997 CA LYS A 65 1.262 -19.839 22.323 1.00 33.44 C ATOM 998 C LYS A 65 1.011 -18.460 21.721 1.00 51.13 C ATOM 999 O LYS A 65 -0.080 -18.177 21.227 1.00 14.12 O ATOM 1000 CB LYS A 65 2.008 -20.717 21.316 1.00 53.40 C ATOM 1001 CG LYS A 65 1.265 -20.906 20.005 1.00 44.43 C ATOM 1002 CD LYS A 65 0.821 -22.347 19.818 1.00 43.14 C ATOM 1003 CE LYS A 65 1.888 -23.172 19.113 1.00 1.42 C ATOM 1004 NZ LYS A 65 3.065 -23.421 19.990 1.00 70.32 N1+ ATOM 0 H LYS A 65 -0.420 -21.044 21.986 1.00 23.50 H new ATOM 0 HA LYS A 65 1.874 -19.721 23.217 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.982 -20.273 21.111 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.191 -21.694 21.764 1.00 53.40 H new ATOM 0 HG2 LYS A 65 0.395 -20.250 19.981 1.00 44.43 H new ATOM 0 HG3 LYS A 65 1.908 -20.612 19.176 1.00 44.43 H new ATOM 0 HD2 LYS A 65 0.600 -22.790 20.789 1.00 43.14 H new ATOM 0 HD3 LYS A 65 -0.102 -22.372 19.239 1.00 43.14 H new ATOM 0 HE2 LYS A 65 1.462 -24.124 18.798 1.00 1.42 H new ATOM 0 HE3 LYS A 65 2.211 -22.653 18.210 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 3.681 -24.134 19.550 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 3.596 -22.536 20.118 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 2.741 -23.768 20.915 1.00 70.32 H new ATOM 1018 N ALA A 66 2.028 -17.605 21.766 1.00 25.33 N ATOM 1019 CA ALA A 66 1.917 -16.257 21.223 1.00 72.41 C ATOM 1020 C ALA A 66 2.402 -16.207 19.778 1.00 62.14 C ATOM 1021 O ALA A 66 3.490 -16.686 19.461 1.00 13.22 O ATOM 1022 CB ALA A 66 2.704 -15.277 22.080 1.00 71.52 C ATOM 0 H ALA A 66 2.938 -17.822 22.173 1.00 25.33 H new ATOM 0 HA ALA A 66 0.865 -15.971 21.236 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.612 -14.274 21.663 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.310 -15.285 23.096 1.00 71.52 H new ATOM 0 HB3 ALA A 66 3.754 -15.569 22.096 1.00 71.52 H new ATOM 1028 N ALA A 67 1.587 -15.623 18.905 1.00 60.43 N ATOM 1029 CA ALA A 67 1.935 -15.509 17.494 1.00 33.34 C ATOM 1030 C ALA A 67 1.044 -14.491 16.790 1.00 63.13 C ATOM 1031 O ALA A 67 0.223 -13.827 17.423 1.00 55.04 O ATOM 1032 CB ALA A 67 1.829 -16.865 16.813 1.00 32.31 C ATOM 0 H ALA A 67 0.682 -15.222 19.150 1.00 60.43 H new ATOM 0 HA ALA A 67 2.965 -15.160 17.426 1.00 33.34 H new ATOM 0 HB1 ALA A 67 2.092 -16.765 15.760 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.511 -17.567 17.292 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.808 -17.236 16.898 1.00 32.31 H new ATOM 1038 N ALA A 68 1.212 -14.372 15.477 1.00 60.23 N ATOM 1039 CA ALA A 68 0.423 -13.435 14.688 1.00 73.13 C ATOM 1040 C ALA A 68 -1.070 -13.644 14.919 1.00 2.42 C ATOM 1041 O ALA A 68 -1.806 -12.693 15.183 1.00 53.41 O ATOM 1042 CB ALA A 68 0.755 -13.579 13.210 1.00 13.31 C ATOM 0 H ALA A 68 1.888 -14.913 14.938 1.00 60.23 H new ATOM 0 HA ALA A 68 0.676 -12.425 15.009 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.158 -12.873 12.633 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.814 -13.373 13.053 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.531 -14.595 12.884 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.510 -14.894 14.818 1.00 72.31 N ATOM 1049 CA ILE A 69 -2.915 -15.227 15.017 1.00 43.13 C ATOM 1050 C ILE A 69 -3.067 -16.519 15.812 1.00 23.51 C ATOM 1051 O ILE A 69 -2.697 -17.596 15.344 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.654 -15.374 13.673 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.521 -14.092 12.850 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.120 -15.709 13.909 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.178 -12.890 13.492 1.00 23.11 C ATOM 0 H ILE A 69 -0.914 -15.692 14.600 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.358 -14.404 15.578 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.200 -16.191 13.113 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -2.464 -13.878 12.695 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.961 -14.254 11.866 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.629 -15.810 12.950 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.195 -16.647 14.460 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.587 -14.911 14.486 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.044 -12.017 12.853 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -5.243 -13.084 13.623 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -3.722 -12.702 14.464 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.616 -16.404 17.017 1.00 42.53 N ATOM 1068 CA VAL A 70 -3.820 -17.564 17.878 1.00 74.42 C ATOM 1069 C VAL A 70 -5.271 -17.660 18.334 1.00 52.51 C ATOM 1070 O VAL A 70 -5.818 -16.716 18.903 1.00 11.54 O ATOM 1071 CB VAL A 70 -2.906 -17.512 19.116 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.120 -16.216 19.883 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.152 -18.717 20.010 1.00 74.33 C ATOM 0 H VAL A 70 -3.927 -15.520 17.419 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.568 -18.445 17.288 1.00 74.42 H new ATOM 0 HB VAL A 70 -1.869 -17.542 18.782 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.466 -16.197 20.755 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -2.889 -15.369 19.237 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.159 -16.153 20.207 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.498 -18.664 20.880 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.192 -18.721 20.337 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -2.943 -19.631 19.454 1.00 74.33 H new ATOM 1083 N ASN A 71 -5.890 -18.809 18.082 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.279 -19.030 18.468 1.00 11.52 C ATOM 1085 C ASN A 71 -7.363 -19.813 19.774 1.00 55.40 C ATOM 1086 O ASN A 71 -6.657 -20.803 19.964 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.024 -19.780 17.362 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.291 -18.908 16.150 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -7.957 -19.274 15.023 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -8.895 -17.748 16.378 1.00 50.40 N ATOM 0 H ASN A 71 -5.452 -19.601 17.612 1.00 53.23 H new ATOM 0 HA ASN A 71 -7.747 -18.057 18.618 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.440 -20.649 17.059 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -8.971 -20.153 17.754 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.100 -17.119 15.602 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.154 -17.486 17.329 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.233 -19.363 20.673 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.411 -20.021 21.961 1.00 24.20 C ATOM 1099 C VAL A 72 -9.882 -20.323 22.226 1.00 31.43 C ATOM 1100 O VAL A 72 -10.766 -19.579 21.799 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.860 -19.160 23.113 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -7.865 -19.945 24.416 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.460 -18.665 22.785 1.00 24.11 C ATOM 0 H VAL A 72 -8.826 -18.545 20.532 1.00 51.53 H new ATOM 0 HA VAL A 72 -7.853 -20.956 21.917 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.508 -18.292 23.237 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.472 -19.321 25.218 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -8.885 -20.245 24.656 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.241 -20.832 24.309 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.086 -18.058 23.610 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -5.799 -19.518 22.633 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.490 -18.063 21.877 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.138 -21.418 22.932 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.504 -21.819 23.255 1.00 72.02 C ATOM 1115 C LEU A 73 -11.664 -22.049 24.754 1.00 3.23 C ATOM 1116 O LEU A 73 -10.795 -22.637 25.399 1.00 44.43 O ATOM 1117 CB LEU A 73 -11.877 -23.090 22.490 1.00 3.23 C ATOM 1118 CG LEU A 73 -11.014 -24.320 22.770 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.806 -25.595 22.525 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -9.758 -24.297 21.911 1.00 64.32 C ATOM 0 H LEU A 73 -9.418 -22.045 23.292 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.174 -21.012 22.957 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.913 -23.338 22.721 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -11.831 -22.874 21.423 1.00 3.23 H new ATOM 0 HG LEU A 73 -10.714 -24.299 23.818 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.175 -26.460 22.729 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -12.675 -25.616 23.183 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.136 -25.624 21.487 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -9.156 -25.180 22.124 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -10.038 -24.294 20.858 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -9.180 -23.401 22.136 1.00 64.32 H new ATOM 1132 N LEU A 74 -12.780 -21.583 25.303 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.056 -21.739 26.726 1.00 22.25 C ATOM 1134 C LEU A 74 -13.781 -23.053 27.000 1.00 10.24 C ATOM 1135 O LEU A 74 -14.830 -23.327 26.418 1.00 22.34 O ATOM 1136 CB LEU A 74 -13.896 -20.566 27.235 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.290 -19.755 28.382 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.885 -19.296 28.027 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.174 -18.563 28.716 1.00 34.41 C ATOM 0 H LEU A 74 -13.509 -21.094 24.784 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.103 -21.753 27.255 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.086 -19.891 26.400 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -14.863 -20.951 27.560 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.229 -20.395 29.262 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.470 -18.721 28.855 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.255 -20.165 27.838 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.921 -18.672 27.134 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.728 -17.997 29.534 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.267 -17.922 27.839 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.162 -18.915 29.014 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.214 -23.862 27.890 1.00 25.11 N ATOM 1152 CA GLU A 75 -13.807 -25.147 28.240 1.00 73.42 C ATOM 1153 C GLU A 75 -14.766 -25.000 29.419 1.00 44.11 C ATOM 1154 O GLU A 75 -14.466 -24.310 30.392 1.00 4.12 O ATOM 1155 CB GLU A 75 -12.715 -26.163 28.581 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.179 -27.607 28.499 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.057 -28.561 28.141 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -10.881 -28.149 28.219 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.354 -29.720 27.782 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.346 -23.650 28.381 1.00 25.11 H new ATOM 0 HA GLU A 75 -14.369 -25.505 27.378 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -11.874 -26.021 27.902 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -12.348 -25.965 29.588 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -13.609 -27.901 29.456 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -13.971 -27.688 27.755 1.00 21.34 H new ATOM 1166 N GLU A 76 -15.919 -25.654 29.321 1.00 14.42 N ATOM 1167 CA GLU A 76 -16.921 -25.595 30.379 1.00 55.40 C ATOM 1168 C GLU A 76 -16.351 -26.105 31.699 1.00 52.44 C ATOM 1169 O GLU A 76 -15.602 -27.081 31.728 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.152 -26.418 29.991 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.598 -26.206 28.554 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.031 -26.642 28.318 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.933 -26.107 28.996 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.251 -27.518 27.456 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.182 -26.230 28.521 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.214 -24.553 30.509 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -17.934 -27.475 30.143 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -18.975 -26.163 30.659 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.496 -25.151 28.298 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -17.939 -26.761 27.887 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.710 -25.436 32.789 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.235 -25.820 34.113 1.00 14.13 C ATOM 1183 C ASP A 77 -17.260 -26.696 34.826 1.00 2.45 C ATOM 1184 O ASP A 77 -17.436 -26.602 36.041 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.936 -24.576 34.952 1.00 0.41 C ATOM 1186 CG ASP A 77 -17.198 -23.869 35.407 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -18.247 -24.048 34.754 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -17.136 -23.137 36.417 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.329 -24.625 32.782 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.317 -26.395 33.990 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -15.348 -24.862 35.824 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.326 -23.886 34.369 1.00 0.41 H new