USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 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 12 SER OG : rot -114:sc= 0.878 USER MOD Set 1.2: A 14 THR OG1 : rot -148:sc= 1.68 USER MOD Set 1.3: A 59 TYR OH : rot 180:sc= -0.567 USER MOD Set 2.1: A 27 THR OG1 : rot 140:sc= -0.088 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.444 K(o=0.44,f=-0.12) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -38:sc= 0.048 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 32 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.48) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 36 THR OG1 : rot 131:sc= 0.462 USER MOD Single : A 41 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0077 K(o=-0.0077,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.355 (180deg=-0.407) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 56 TYR OH : rot 30:sc= -4.86! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.0139 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.725 K(o=-0.72,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -5.698 -12.863 16.715 1.00 4.54 N ATOM 164 CA GLY A 8 -5.983 -13.055 18.125 1.00 1.12 C ATOM 165 C GLY A 8 -7.457 -12.898 18.444 1.00 12.44 C ATOM 166 O GLY A 8 -7.979 -11.784 18.468 1.00 42.34 O ATOM 0 HA2 GLY A 8 -5.653 -14.049 18.428 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.409 -12.336 18.710 1.00 1.12 H new ATOM 170 N ASN A 9 -8.130 -14.017 18.688 1.00 51.20 N ATOM 171 CA ASN A 9 -9.555 -13.999 19.006 1.00 63.11 C ATOM 172 C ASN A 9 -9.956 -15.253 19.777 1.00 4.24 C ATOM 173 O ASN A 9 -9.711 -16.374 19.330 1.00 20.25 O ATOM 174 CB ASN A 9 -10.382 -13.887 17.723 1.00 62.31 C ATOM 175 CG ASN A 9 -11.812 -14.354 17.917 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.349 -15.101 17.099 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.436 -13.911 19.002 1.00 54.03 N ATOM 0 H ASN A 9 -7.713 -14.948 18.672 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.752 -13.130 19.634 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.383 -12.851 17.384 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.912 -14.479 16.938 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.400 -14.189 19.185 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.951 -13.293 19.653 1.00 54.03 H new ATOM 184 N VAL A 10 -10.576 -15.056 20.935 1.00 11.42 N ATOM 185 CA VAL A 10 -11.013 -16.169 21.769 1.00 24.54 C ATOM 186 C VAL A 10 -12.535 -16.247 21.826 1.00 65.31 C ATOM 187 O VAL A 10 -13.210 -15.251 22.088 1.00 73.33 O ATOM 188 CB VAL A 10 -10.462 -16.050 23.202 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.955 -17.202 24.061 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.942 -15.998 23.185 1.00 42.41 C ATOM 0 H VAL A 10 -10.787 -14.135 21.318 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.621 -17.078 21.313 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.829 -15.121 23.638 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.555 -17.101 25.070 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.044 -17.187 24.099 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.620 -18.146 23.631 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.569 -15.914 24.206 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.552 -16.908 22.730 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.614 -15.134 22.607 1.00 42.41 H new ATOM 200 N THR A 11 -13.070 -17.439 21.579 1.00 10.10 N ATOM 201 CA THR A 11 -14.513 -17.648 21.602 1.00 34.03 C ATOM 202 C THR A 11 -14.882 -18.834 22.486 1.00 20.04 C ATOM 203 O THR A 11 -14.028 -19.648 22.837 1.00 73.43 O ATOM 204 CB THR A 11 -15.068 -17.887 20.186 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.148 -18.677 19.425 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.319 -16.565 19.474 1.00 3.03 C ATOM 0 H THR A 11 -12.526 -18.274 21.361 1.00 10.10 H new ATOM 0 HA THR A 11 -14.958 -16.741 22.011 1.00 34.03 H new ATOM 0 HB THR A 11 -16.015 -18.420 20.276 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.510 -18.826 18.526 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.711 -16.758 18.475 1.00 3.03 H new ATOM 0 HG22 THR A 11 -16.042 -15.978 20.040 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.384 -16.011 19.396 1.00 3.03 H new ATOM 214 N SER A 12 -16.160 -18.925 22.843 1.00 72.20 N ATOM 215 CA SER A 12 -16.641 -20.010 23.690 1.00 63.13 C ATOM 216 C SER A 12 -16.979 -21.241 22.854 1.00 64.31 C ATOM 217 O SER A 12 -17.371 -21.130 21.692 1.00 41.10 O ATOM 218 CB SER A 12 -17.872 -19.561 24.479 1.00 31.13 C ATOM 219 OG SER A 12 -17.964 -20.249 25.715 1.00 24.24 O ATOM 0 H SER A 12 -16.880 -18.261 22.559 1.00 72.20 H new ATOM 0 HA SER A 12 -15.847 -20.273 24.389 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.820 -18.487 24.660 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.771 -19.742 23.890 1.00 31.13 H new ATOM 0 HG SER A 12 -18.757 -20.825 25.711 1.00 24.24 H new ATOM 225 N LYS A 13 -16.826 -22.416 23.455 1.00 44.22 N ATOM 226 CA LYS A 13 -17.116 -23.670 22.770 1.00 60.22 C ATOM 227 C LYS A 13 -18.555 -24.108 23.022 1.00 54.30 C ATOM 228 O LYS A 13 -18.904 -25.272 22.823 1.00 2.34 O ATOM 229 CB LYS A 13 -16.149 -24.763 23.233 1.00 51.22 C ATOM 230 CG LYS A 13 -15.857 -25.807 22.169 1.00 2.31 C ATOM 231 CD LYS A 13 -16.296 -27.193 22.611 1.00 13.33 C ATOM 232 CE LYS A 13 -15.392 -28.273 22.038 1.00 53.45 C ATOM 233 NZ LYS A 13 -14.252 -28.581 22.946 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.502 -22.526 24.416 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.987 -23.509 21.700 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.212 -24.300 23.543 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.566 -25.257 24.111 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.370 -25.539 21.245 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.789 -25.815 21.950 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -16.287 -27.249 23.700 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -17.323 -27.370 22.292 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -15.973 -29.179 21.864 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -15.009 -27.950 21.070 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -13.659 -29.322 22.520 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -13.683 -27.723 23.092 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -14.617 -28.914 23.861 1.00 51.21 H new ATOM 247 N THR A 14 -19.387 -23.169 23.460 1.00 41.41 N ATOM 248 CA THR A 14 -20.788 -23.457 23.739 1.00 75.14 C ATOM 249 C THR A 14 -21.665 -23.144 22.532 1.00 53.42 C ATOM 250 O THR A 14 -22.355 -24.019 22.009 1.00 1.11 O ATOM 251 CB THR A 14 -21.296 -22.656 24.951 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.385 -21.593 25.253 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.455 -23.555 26.168 1.00 0.42 C ATOM 0 H THR A 14 -19.114 -22.201 23.629 1.00 41.41 H new ATOM 0 HA THR A 14 -20.853 -24.521 23.965 1.00 75.14 H new ATOM 0 HB THR A 14 -22.271 -22.238 24.698 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.385 -21.426 26.219 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.815 -22.966 27.011 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.172 -24.345 25.945 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.492 -23.999 26.421 1.00 0.42 H new ATOM 261 N ASP A 15 -21.633 -21.890 22.094 1.00 13.30 N ATOM 262 CA ASP A 15 -22.424 -21.461 20.946 1.00 3.24 C ATOM 263 C ASP A 15 -21.525 -20.928 19.835 1.00 54.23 C ATOM 264 O ASP A 15 -21.882 -20.973 18.659 1.00 30.21 O ATOM 265 CB ASP A 15 -23.429 -20.386 21.366 1.00 34.54 C ATOM 266 CG ASP A 15 -24.057 -20.676 22.716 1.00 5.42 C ATOM 267 OD1 ASP A 15 -23.635 -20.053 23.711 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.970 -21.526 22.775 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.068 -21.153 22.516 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.966 -22.326 20.566 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.928 -19.419 21.402 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -24.213 -20.311 20.612 1.00 34.54 H new ATOM 273 N GLY A 16 -20.356 -20.422 20.217 1.00 45.50 N ATOM 274 CA GLY A 16 -19.425 -19.886 19.242 1.00 13.14 C ATOM 275 C GLY A 16 -19.388 -18.371 19.247 1.00 50.04 C ATOM 276 O GLY A 16 -19.118 -17.748 18.220 1.00 53.34 O ATOM 0 H GLY A 16 -20.037 -20.374 21.185 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.426 -20.271 19.448 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.703 -20.236 18.248 1.00 13.14 H new ATOM 280 N GLN A 17 -19.658 -17.778 20.405 1.00 15.14 N ATOM 281 CA GLN A 17 -19.655 -16.326 20.538 1.00 71.43 C ATOM 282 C GLN A 17 -18.323 -15.833 21.090 1.00 32.32 C ATOM 283 O GLN A 17 -17.556 -16.583 21.692 1.00 12.20 O ATOM 284 CB GLN A 17 -20.798 -15.875 21.451 1.00 54.31 C ATOM 285 CG GLN A 17 -22.112 -15.659 20.719 1.00 63.40 C ATOM 286 CD GLN A 17 -22.341 -14.208 20.345 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.276 -13.839 19.172 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.610 -13.375 21.343 1.00 74.15 N ATOM 0 H GLN A 17 -19.881 -18.280 21.264 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.798 -15.895 19.547 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.945 -16.622 22.231 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.511 -14.948 21.947 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -22.125 -16.269 19.816 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.934 -16.002 21.347 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.654 -13.724 22.301 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -22.773 -12.386 21.152 1.00 74.15 H new ATOM 297 N PRO A 18 -18.038 -14.538 20.880 1.00 51.11 N ATOM 298 CA PRO A 18 -16.797 -13.915 21.350 1.00 61.23 C ATOM 299 C PRO A 18 -16.754 -13.780 22.867 1.00 5.35 C ATOM 300 O PRO A 18 -17.751 -13.427 23.497 1.00 41.13 O ATOM 301 CB PRO A 18 -16.822 -12.533 20.690 1.00 11.54 C ATOM 302 CG PRO A 18 -18.267 -12.254 20.455 1.00 0.34 C ATOM 303 CD PRO A 18 -18.906 -13.584 20.171 1.00 14.12 C ATOM 0 HA PRO A 18 -15.920 -14.510 21.093 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.372 -11.778 21.335 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -16.261 -12.530 19.756 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.720 -11.782 21.327 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.401 -11.570 19.617 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.931 -13.624 20.539 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.943 -13.792 19.102 1.00 14.12 H new ATOM 311 N ILE A 19 -15.592 -14.062 23.449 1.00 51.31 N ATOM 312 CA ILE A 19 -15.420 -13.969 24.894 1.00 72.32 C ATOM 313 C ILE A 19 -15.107 -12.540 25.319 1.00 61.13 C ATOM 314 O ILE A 19 -14.136 -11.942 24.854 1.00 31.30 O ATOM 315 CB ILE A 19 -14.295 -14.899 25.386 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.606 -16.352 25.019 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.110 -14.755 26.890 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.919 -16.850 25.582 1.00 75.31 C ATOM 0 H ILE A 19 -14.757 -14.356 22.942 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.362 -14.280 25.346 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.365 -14.612 24.895 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.626 -16.448 23.933 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.800 -16.990 25.381 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.312 -15.418 27.224 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.848 -13.724 27.127 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.038 -15.020 27.398 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.074 -17.886 25.282 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.896 -16.787 26.670 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.735 -16.236 25.200 1.00 75.31 H new ATOM 330 N ILE A 20 -15.932 -11.999 26.208 1.00 0.14 N ATOM 331 CA ILE A 20 -15.741 -10.640 26.700 1.00 33.25 C ATOM 332 C ILE A 20 -15.258 -10.641 28.146 1.00 4.43 C ATOM 333 O ILE A 20 -15.708 -11.445 28.962 1.00 31.01 O ATOM 334 CB ILE A 20 -17.041 -9.819 26.605 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.679 -9.990 25.225 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.761 -8.350 26.888 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.962 -9.209 25.052 1.00 42.20 C ATOM 0 H ILE A 20 -16.740 -12.481 26.603 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.983 -10.179 26.067 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.741 -10.186 27.355 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.966 -9.676 24.463 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.881 -11.048 25.056 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.689 -7.783 26.817 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.347 -8.245 27.891 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -16.046 -7.969 26.159 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.358 -9.377 24.051 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.692 -9.539 25.791 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.762 -8.146 25.189 1.00 42.20 H new ATOM 349 N GLY A 21 -14.340 -9.732 28.459 1.00 4.13 N ATOM 350 CA GLY A 21 -13.812 -9.643 29.807 1.00 62.52 C ATOM 351 C GLY A 21 -12.918 -10.816 30.158 1.00 10.52 C ATOM 352 O GLY A 21 -13.114 -11.470 31.182 1.00 13.11 O ATOM 0 H GLY A 21 -13.952 -9.055 27.802 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.248 -8.716 29.913 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.639 -9.596 30.515 1.00 62.52 H new ATOM 356 N ALA A 22 -11.935 -11.086 29.305 1.00 14.24 N ATOM 357 CA ALA A 22 -11.009 -12.188 29.530 1.00 24.05 C ATOM 358 C ALA A 22 -9.740 -11.705 30.225 1.00 13.45 C ATOM 359 O ALA A 22 -9.381 -10.531 30.137 1.00 23.13 O ATOM 360 CB ALA A 22 -10.665 -12.867 28.212 1.00 63.11 C ATOM 0 H ALA A 22 -11.760 -10.556 28.451 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.497 -12.912 30.182 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -9.972 -13.688 28.396 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.575 -13.255 27.754 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.201 -12.144 27.541 1.00 63.11 H new ATOM 366 N SER A 23 -9.067 -12.618 30.917 1.00 20.43 N ATOM 367 CA SER A 23 -7.839 -12.284 31.632 1.00 45.41 C ATOM 368 C SER A 23 -6.619 -12.841 30.905 1.00 32.33 C ATOM 369 O SER A 23 -6.376 -14.049 30.911 1.00 40.44 O ATOM 370 CB SER A 23 -7.891 -12.830 33.060 1.00 52.44 C ATOM 371 OG SER A 23 -9.106 -12.478 33.698 1.00 21.24 O ATOM 0 H SER A 23 -9.350 -13.594 30.998 1.00 20.43 H new ATOM 0 HA SER A 23 -7.753 -11.198 31.670 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.788 -13.915 33.042 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.050 -12.439 33.633 1.00 52.44 H new ATOM 0 HG SER A 23 -9.114 -12.841 34.608 1.00 21.24 H new ATOM 377 N VAL A 24 -5.853 -11.953 30.281 1.00 70.10 N ATOM 378 CA VAL A 24 -4.657 -12.353 29.550 1.00 11.40 C ATOM 379 C VAL A 24 -3.397 -11.819 30.222 1.00 21.15 C ATOM 380 O VAL A 24 -3.198 -10.607 30.317 1.00 75.44 O ATOM 381 CB VAL A 24 -4.697 -11.859 28.092 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.421 -12.248 27.360 1.00 65.33 C ATOM 383 CG2 VAL A 24 -5.922 -12.410 27.376 1.00 64.12 C ATOM 0 H VAL A 24 -6.040 -10.950 30.267 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.634 -13.443 29.555 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.766 -10.771 28.097 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.468 -11.890 26.331 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.563 -11.800 27.861 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.317 -13.333 27.362 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -5.934 -12.051 26.347 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -5.886 -13.499 27.380 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.824 -12.075 27.888 1.00 64.12 H new ATOM 393 N VAL A 25 -2.548 -12.731 30.687 1.00 54.40 N ATOM 394 CA VAL A 25 -1.306 -12.350 31.350 1.00 74.22 C ATOM 395 C VAL A 25 -0.154 -13.246 30.911 1.00 74.52 C ATOM 396 O VAL A 25 -0.336 -14.442 30.684 1.00 52.34 O ATOM 397 CB VAL A 25 -1.443 -12.422 32.883 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.645 -11.614 33.350 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.552 -13.868 33.340 1.00 31.03 C ATOM 0 H VAL A 25 -2.698 -13.738 30.617 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.094 -11.321 31.060 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.549 -11.990 33.332 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.726 -11.676 34.435 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.520 -10.572 33.055 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.551 -12.014 32.895 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.648 -13.900 34.425 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.429 -14.329 32.884 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.658 -14.413 33.039 1.00 31.03 H new ATOM 409 N GLU A 26 1.033 -12.660 30.795 1.00 60.03 N ATOM 410 CA GLU A 26 2.217 -13.406 30.383 1.00 2.03 C ATOM 411 C GLU A 26 2.786 -14.210 31.549 1.00 74.12 C ATOM 412 O GLU A 26 2.326 -14.090 32.685 1.00 32.34 O ATOM 413 CB GLU A 26 3.282 -12.454 29.837 1.00 54.12 C ATOM 414 CG GLU A 26 2.827 -11.660 28.624 1.00 11.04 C ATOM 415 CD GLU A 26 2.539 -10.208 28.952 1.00 42.11 C ATOM 416 OE1 GLU A 26 1.421 -9.918 29.428 1.00 1.54 O ATOM 417 OE2 GLU A 26 3.431 -9.362 28.732 1.00 73.20 O1- ATOM 0 H GLU A 26 1.201 -11.671 30.980 1.00 60.03 H new ATOM 0 HA GLU A 26 1.923 -14.100 29.595 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.575 -11.760 30.625 1.00 54.12 H new ATOM 0 HB3 GLU A 26 4.169 -13.029 29.572 1.00 54.12 H new ATOM 0 HG2 GLU A 26 3.596 -11.709 27.853 1.00 11.04 H new ATOM 0 HG3 GLU A 26 1.930 -12.120 28.209 1.00 11.04 H new ATOM 424 N THR A 27 3.790 -15.032 31.259 1.00 32.44 N ATOM 425 CA THR A 27 4.422 -15.857 32.281 1.00 21.42 C ATOM 426 C THR A 27 5.338 -15.025 33.170 1.00 43.23 C ATOM 427 O THR A 27 5.438 -15.265 34.374 1.00 52.43 O ATOM 428 CB THR A 27 5.237 -17.003 31.652 1.00 43.33 C ATOM 429 OG1 THR A 27 6.221 -16.472 30.759 1.00 43.23 O ATOM 430 CG2 THR A 27 4.328 -17.964 30.900 1.00 11.11 C ATOM 0 H THR A 27 4.183 -15.144 30.324 1.00 32.44 H new ATOM 0 HA THR A 27 3.620 -16.281 32.886 1.00 21.42 H new ATOM 0 HB THR A 27 5.733 -17.549 32.454 1.00 43.33 H new ATOM 0 HG1 THR A 27 7.057 -16.975 30.857 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.926 -18.765 30.464 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.599 -18.389 31.589 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.808 -17.427 30.107 1.00 11.11 H new ATOM 438 N THR A 28 6.007 -14.045 32.570 1.00 30.42 N ATOM 439 CA THR A 28 6.917 -13.178 33.308 1.00 4.41 C ATOM 440 C THR A 28 6.381 -11.753 33.379 1.00 13.12 C ATOM 441 O THR A 28 6.758 -10.980 34.261 1.00 64.00 O ATOM 442 CB THR A 28 8.317 -13.156 32.667 1.00 64.03 C ATOM 443 OG1 THR A 28 8.263 -12.503 31.394 1.00 63.55 O ATOM 444 CG2 THR A 28 8.856 -14.569 32.495 1.00 20.21 C ATOM 0 H THR A 28 5.936 -13.832 31.575 1.00 30.42 H new ATOM 0 HA THR A 28 6.994 -13.586 34.316 1.00 4.41 H new ATOM 0 HB THR A 28 8.986 -12.606 33.329 1.00 64.03 H new ATOM 0 HG1 THR A 28 9.158 -12.492 30.994 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.846 -14.528 32.040 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.924 -15.054 33.469 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.185 -15.139 31.852 1.00 20.21 H new ATOM 452 N ALA A 29 5.499 -11.409 32.446 1.00 21.15 N ATOM 453 CA ALA A 29 4.909 -10.077 32.404 1.00 63.21 C ATOM 454 C ALA A 29 3.407 -10.134 32.664 1.00 61.33 C ATOM 455 O ALA A 29 2.602 -10.002 31.742 1.00 2.51 O ATOM 456 CB ALA A 29 5.191 -9.417 31.063 1.00 62.41 C ATOM 0 H ALA A 29 5.177 -12.036 31.708 1.00 21.15 H new ATOM 0 HA ALA A 29 5.365 -9.479 33.193 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.744 -8.423 31.046 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.268 -9.334 30.918 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.763 -10.021 30.263 1.00 62.41 H new ATOM 462 N THR A 30 3.037 -10.331 33.925 1.00 64.05 N ATOM 463 CA THR A 30 1.632 -10.406 34.305 1.00 52.03 C ATOM 464 C THR A 30 1.047 -9.016 34.529 1.00 44.32 C ATOM 465 O THR A 30 -0.116 -8.762 34.213 1.00 33.44 O ATOM 466 CB THR A 30 1.440 -11.242 35.585 1.00 73.01 C ATOM 467 OG1 THR A 30 2.159 -12.476 35.475 1.00 1.52 O ATOM 468 CG2 THR A 30 -0.035 -11.528 35.829 1.00 41.22 C ATOM 0 H THR A 30 3.690 -10.441 34.700 1.00 64.05 H new ATOM 0 HA THR A 30 1.108 -10.890 33.481 1.00 52.03 H new ATOM 0 HB THR A 30 1.827 -10.670 36.428 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.093 -12.812 34.557 1.00 1.52 H new ATOM 0 HG21 THR A 30 -0.145 -12.119 36.738 1.00 41.22 H new ATOM 0 HG22 THR A 30 -0.574 -10.587 35.940 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.443 -12.082 34.984 1.00 41.22 H new ATOM 476 N THR A 31 1.860 -8.117 35.074 1.00 20.21 N ATOM 477 CA THR A 31 1.423 -6.753 35.340 1.00 74.23 C ATOM 478 C THR A 31 0.932 -6.075 34.066 1.00 5.21 C ATOM 479 O THR A 31 0.075 -5.193 34.112 1.00 44.33 O ATOM 480 CB THR A 31 2.557 -5.909 35.953 1.00 70.21 C ATOM 481 OG1 THR A 31 3.819 -6.319 35.415 1.00 65.04 O ATOM 482 CG2 THR A 31 2.576 -6.048 37.468 1.00 32.33 C ATOM 0 H THR A 31 2.826 -8.310 35.340 1.00 20.21 H new ATOM 0 HA THR A 31 0.602 -6.818 36.054 1.00 74.23 H new ATOM 0 HB THR A 31 2.379 -4.863 35.702 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.534 -5.777 35.808 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.385 -5.443 37.879 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.625 -5.707 37.877 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.732 -7.093 37.736 1.00 32.33 H new ATOM 490 N ASN A 32 1.483 -6.491 32.930 1.00 33.34 N ATOM 491 CA ASN A 32 1.100 -5.923 31.643 1.00 52.15 C ATOM 492 C ASN A 32 0.014 -6.764 30.978 1.00 70.20 C ATOM 493 O ASN A 32 -0.060 -6.845 29.753 1.00 25.25 O ATOM 494 CB ASN A 32 2.319 -5.824 30.722 1.00 21.20 C ATOM 495 CG ASN A 32 2.091 -4.879 29.560 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.711 -3.723 29.750 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.321 -5.367 28.346 1.00 53.21 N ATOM 0 H ASN A 32 2.196 -7.219 32.875 1.00 33.34 H new ATOM 0 HA ASN A 32 0.704 -4.923 31.819 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.180 -5.485 31.299 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.562 -6.815 30.338 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.184 -4.778 27.525 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.635 -6.331 28.235 1.00 53.21 H new ATOM 504 N GLY A 33 -0.828 -7.387 31.796 1.00 61.22 N ATOM 505 CA GLY A 33 -1.900 -8.213 31.271 1.00 53.12 C ATOM 506 C GLY A 33 -2.978 -7.397 30.586 1.00 52.44 C ATOM 507 O GLY A 33 -3.231 -6.250 30.959 1.00 13.13 O ATOM 0 H GLY A 33 -0.787 -7.335 32.814 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.487 -8.932 30.563 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.344 -8.786 32.084 1.00 53.12 H new ATOM 511 N THR A 34 -3.617 -7.988 29.582 1.00 73.43 N ATOM 512 CA THR A 34 -4.672 -7.307 28.842 1.00 24.51 C ATOM 513 C THR A 34 -5.972 -8.102 28.881 1.00 64.20 C ATOM 514 O THR A 34 -5.990 -9.259 29.306 1.00 40.52 O ATOM 515 CB THR A 34 -4.270 -7.075 27.373 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.207 -6.195 26.741 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.211 -8.392 26.614 1.00 1.21 C ATOM 0 H THR A 34 -3.422 -8.937 29.262 1.00 73.43 H new ATOM 0 HA THR A 34 -4.824 -6.342 29.326 1.00 24.51 H new ATOM 0 HB THR A 34 -3.279 -6.621 27.358 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.943 -6.051 25.808 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.925 -8.203 25.579 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.475 -9.048 27.080 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.190 -8.870 26.638 1.00 1.21 H new ATOM 525 N ILE A 35 -7.056 -7.478 28.435 1.00 53.35 N ATOM 526 CA ILE A 35 -8.361 -8.130 28.417 1.00 41.13 C ATOM 527 C ILE A 35 -8.966 -8.111 27.018 1.00 31.20 C ATOM 528 O ILE A 35 -8.621 -7.267 26.191 1.00 21.21 O ATOM 529 CB ILE A 35 -9.339 -7.456 29.397 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.384 -5.947 29.152 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.939 -7.752 30.834 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.634 -5.284 29.686 1.00 62.41 C ATOM 0 H ILE A 35 -7.058 -6.521 28.081 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.203 -9.163 28.727 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.336 -7.863 29.227 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.512 -5.486 29.616 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.312 -5.759 28.081 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.640 -7.268 31.514 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -8.955 -8.829 31.002 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.934 -7.371 31.018 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.597 -4.215 29.476 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.510 -5.718 29.204 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.697 -5.441 30.763 1.00 62.41 H new ATOM 544 N THR A 36 -9.873 -9.048 26.759 1.00 11.05 N ATOM 545 CA THR A 36 -10.527 -9.140 25.460 1.00 11.35 C ATOM 546 C THR A 36 -11.686 -8.153 25.357 1.00 20.04 C ATOM 547 O THR A 36 -12.332 -7.835 26.355 1.00 42.14 O ATOM 548 CB THR A 36 -11.056 -10.562 25.196 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.871 -10.993 26.291 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.905 -11.538 24.999 1.00 55.34 C ATOM 0 H THR A 36 -10.171 -9.754 27.432 1.00 11.05 H new ATOM 0 HA THR A 36 -9.775 -8.895 24.710 1.00 11.35 H new ATOM 0 HB THR A 36 -11.655 -10.541 24.285 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.715 -11.355 25.948 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.302 -12.536 24.814 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.303 -11.223 24.147 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.285 -11.555 25.895 1.00 55.34 H new ATOM 558 N ASP A 37 -11.942 -7.673 24.146 1.00 12.13 N ATOM 559 CA ASP A 37 -13.023 -6.723 23.912 1.00 12.53 C ATOM 560 C ASP A 37 -14.315 -7.449 23.547 1.00 15.53 C ATOM 561 O ASP A 37 -14.369 -8.680 23.549 1.00 0.31 O ATOM 562 CB ASP A 37 -12.642 -5.746 22.800 1.00 5.44 C ATOM 563 CG ASP A 37 -11.603 -4.736 23.247 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.521 -4.682 22.625 1.00 11.40 O ATOM 565 OD2 ASP A 37 -11.873 -3.999 24.219 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.415 -7.926 23.310 1.00 12.13 H new ATOM 0 HA ASP A 37 -13.188 -6.165 24.834 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -12.258 -6.304 21.946 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -13.534 -5.219 22.462 1.00 5.44 H new ATOM 570 N PHE A 38 -15.353 -6.680 23.235 1.00 33.31 N ATOM 571 CA PHE A 38 -16.645 -7.250 22.870 1.00 53.25 C ATOM 572 C PHE A 38 -16.506 -8.196 21.681 1.00 61.41 C ATOM 573 O PHE A 38 -17.256 -9.163 21.552 1.00 72.12 O ATOM 574 CB PHE A 38 -17.641 -6.137 22.539 1.00 35.41 C ATOM 575 CG PHE A 38 -18.398 -5.635 23.735 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.778 -5.744 23.793 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.731 -5.053 24.800 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.479 -5.283 24.891 1.00 20.23 C ATOM 579 CE2 PHE A 38 -18.425 -4.591 25.902 1.00 23.43 C ATOM 580 CZ PHE A 38 -19.801 -4.705 25.947 1.00 34.05 C ATOM 0 H PHE A 38 -15.325 -5.660 23.228 1.00 33.31 H new ATOM 0 HA PHE A 38 -17.017 -7.819 23.722 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -17.105 -5.305 22.083 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -18.351 -6.504 21.798 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -20.312 -6.195 22.970 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -16.656 -4.959 24.769 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.555 -5.374 24.924 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -17.892 -4.141 26.727 1.00 23.43 H new ATOM 0 HZ PHE A 38 -20.346 -4.343 26.806 1.00 34.05 H new ATOM 590 N ASP A 39 -15.540 -7.908 20.814 1.00 22.51 N ATOM 591 CA ASP A 39 -15.302 -8.732 19.635 1.00 30.24 C ATOM 592 C ASP A 39 -14.639 -10.051 20.019 1.00 3.40 C ATOM 593 O ASP A 39 -14.662 -11.015 19.254 1.00 20.40 O ATOM 594 CB ASP A 39 -14.426 -7.981 18.631 1.00 73.22 C ATOM 595 CG ASP A 39 -15.226 -7.023 17.768 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.131 -7.490 17.045 1.00 51.04 O ATOM 597 OD2 ASP A 39 -14.947 -5.808 17.817 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.910 -7.111 20.906 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.265 -8.950 19.174 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.657 -7.426 19.168 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.913 -8.700 17.992 1.00 73.22 H new ATOM 602 N GLY A 40 -14.047 -10.086 21.209 1.00 73.03 N ATOM 603 CA GLY A 40 -13.385 -11.292 21.673 1.00 73.43 C ATOM 604 C GLY A 40 -11.928 -11.347 21.262 1.00 75.31 C ATOM 605 O GLY A 40 -11.364 -12.428 21.093 1.00 64.34 O ATOM 0 H GLY A 40 -14.014 -9.301 21.860 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.455 -11.346 22.759 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.905 -12.164 21.276 1.00 73.43 H new ATOM 609 N ASN A 41 -11.316 -10.179 21.098 1.00 12.43 N ATOM 610 CA ASN A 41 -9.914 -10.099 20.701 1.00 23.51 C ATOM 611 C ASN A 41 -9.145 -9.145 21.609 1.00 23.24 C ATOM 612 O ASN A 41 -9.739 -8.324 22.310 1.00 21.02 O ATOM 613 CB ASN A 41 -9.800 -9.641 19.246 1.00 52.24 C ATOM 614 CG ASN A 41 -10.888 -8.655 18.863 1.00 71.23 C ATOM 615 OD1 ASN A 41 -11.648 -8.888 17.923 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.965 -7.548 19.592 1.00 22.41 N ATOM 0 H ASN A 41 -11.768 -9.275 21.234 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.478 -11.093 20.797 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.825 -9.181 19.088 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.853 -10.509 18.589 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.676 -6.848 19.382 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.313 -7.398 20.362 1.00 22.41 H new ATOM 623 N PHE A 42 -7.822 -9.256 21.591 1.00 71.21 N ATOM 624 CA PHE A 42 -6.970 -8.404 22.412 1.00 52.03 C ATOM 625 C PHE A 42 -5.658 -8.096 21.698 1.00 31.22 C ATOM 626 O PHE A 42 -5.295 -8.759 20.726 1.00 60.33 O ATOM 627 CB PHE A 42 -6.688 -9.074 23.758 1.00 2.54 C ATOM 628 CG PHE A 42 -6.103 -10.451 23.630 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.738 -10.655 23.764 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.917 -11.543 23.376 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.197 -11.922 23.647 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.381 -12.812 23.258 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.020 -13.001 23.393 1.00 22.53 C ATOM 0 H PHE A 42 -7.315 -9.929 21.016 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.497 -7.465 22.585 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -6.003 -8.448 24.330 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.616 -9.133 24.327 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.090 -9.814 23.962 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.982 -11.401 23.269 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.132 -12.067 23.754 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.027 -13.655 23.060 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.600 -13.992 23.300 1.00 22.53 H new ATOM 643 N THR A 43 -4.948 -7.083 22.187 1.00 70.14 N ATOM 644 CA THR A 43 -3.676 -6.686 21.596 1.00 1.25 C ATOM 645 C THR A 43 -2.583 -6.595 22.654 1.00 72.34 C ATOM 646 O THR A 43 -2.655 -5.770 23.567 1.00 32.41 O ATOM 647 CB THR A 43 -3.792 -5.329 20.876 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.494 -4.874 20.478 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.446 -4.292 21.776 1.00 0.43 C ATOM 0 H THR A 43 -5.233 -6.523 22.991 1.00 70.14 H new ATOM 0 HA THR A 43 -3.411 -7.454 20.869 1.00 1.25 H new ATOM 0 HB THR A 43 -4.416 -5.463 19.992 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.576 -4.012 20.020 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.517 -3.342 21.245 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.445 -4.628 22.052 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.845 -4.161 22.676 1.00 0.43 H new ATOM 657 N LEU A 44 -1.570 -7.445 22.527 1.00 30.33 N ATOM 658 CA LEU A 44 -0.459 -7.459 23.473 1.00 30.51 C ATOM 659 C LEU A 44 0.836 -7.874 22.784 1.00 15.23 C ATOM 660 O LEU A 44 1.023 -9.042 22.441 1.00 43.42 O ATOM 661 CB LEU A 44 -0.762 -8.412 24.630 1.00 2.24 C ATOM 662 CG LEU A 44 -0.383 -7.915 26.026 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.720 -8.961 27.076 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.096 -7.558 26.080 1.00 72.23 C ATOM 0 H LEU A 44 -1.495 -8.134 21.778 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.334 -6.450 23.865 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.829 -8.633 24.622 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.241 -9.351 24.447 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.962 -7.017 26.241 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -0.443 -8.589 28.062 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.790 -9.168 27.053 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -0.169 -9.878 26.866 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.349 -7.206 27.080 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.692 -8.440 25.844 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.307 -6.772 25.355 1.00 72.23 H new ATOM 676 N SER A 45 1.731 -6.911 22.586 1.00 73.42 N ATOM 677 CA SER A 45 3.010 -7.176 21.937 1.00 30.11 C ATOM 678 C SER A 45 3.902 -8.034 22.827 1.00 54.45 C ATOM 679 O SER A 45 4.424 -7.566 23.840 1.00 53.14 O ATOM 680 CB SER A 45 3.716 -5.861 21.602 1.00 12.24 C ATOM 681 OG SER A 45 3.156 -5.260 20.447 1.00 52.35 O ATOM 0 H SER A 45 1.594 -5.940 22.866 1.00 73.42 H new ATOM 0 HA SER A 45 2.816 -7.722 21.014 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.636 -5.177 22.447 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.778 -6.046 21.441 1.00 12.24 H new ATOM 0 HG SER A 45 3.624 -4.420 20.256 1.00 52.35 H new ATOM 687 N VAL A 46 4.074 -9.295 22.441 1.00 11.02 N ATOM 688 CA VAL A 46 4.906 -10.221 23.202 1.00 13.10 C ATOM 689 C VAL A 46 5.731 -11.106 22.276 1.00 41.33 C ATOM 690 O VAL A 46 5.228 -11.668 21.303 1.00 34.03 O ATOM 691 CB VAL A 46 4.052 -11.113 24.123 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.938 -12.059 24.920 1.00 64.43 C ATOM 693 CG2 VAL A 46 3.200 -10.259 25.051 1.00 21.52 C ATOM 0 H VAL A 46 3.649 -9.699 21.606 1.00 11.02 H new ATOM 0 HA VAL A 46 5.577 -9.617 23.813 1.00 13.10 H new ATOM 0 HB VAL A 46 3.385 -11.712 23.504 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.318 -12.681 25.565 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.501 -12.694 24.236 1.00 64.43 H new ATOM 0 HG13 VAL A 46 5.631 -11.480 25.531 1.00 64.43 H new ATOM 0 HG21 VAL A 46 2.603 -10.905 25.695 1.00 21.52 H new ATOM 0 HG22 VAL A 46 3.847 -9.633 25.665 1.00 21.52 H new ATOM 0 HG23 VAL A 46 2.539 -9.626 24.459 1.00 21.52 H new ATOM 703 N PRO A 47 7.029 -11.237 22.585 1.00 12.13 N ATOM 704 CA PRO A 47 7.952 -12.056 21.793 1.00 2.21 C ATOM 705 C PRO A 47 7.669 -13.548 21.931 1.00 41.24 C ATOM 706 O PRO A 47 6.826 -13.958 22.729 1.00 33.23 O ATOM 707 CB PRO A 47 9.323 -11.716 22.384 1.00 32.44 C ATOM 708 CG PRO A 47 9.036 -11.277 23.779 1.00 60.01 C ATOM 709 CD PRO A 47 7.696 -10.598 23.732 1.00 52.01 C ATOM 0 HA PRO A 47 7.868 -11.848 20.726 1.00 2.21 H new ATOM 0 HB2 PRO A 47 9.986 -12.581 22.370 1.00 32.44 H new ATOM 0 HB3 PRO A 47 9.815 -10.928 21.814 1.00 32.44 H new ATOM 0 HG2 PRO A 47 9.019 -12.128 24.460 1.00 60.01 H new ATOM 0 HG3 PRO A 47 9.806 -10.596 24.140 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.137 -10.747 24.656 1.00 52.01 H new ATOM 0 HD3 PRO A 47 7.796 -9.522 23.590 1.00 52.01 H new ATOM 717 N VAL A 48 8.378 -14.355 21.148 1.00 62.33 N ATOM 718 CA VAL A 48 8.203 -15.802 21.184 1.00 40.41 C ATOM 719 C VAL A 48 9.228 -16.458 22.102 1.00 23.10 C ATOM 720 O VAL A 48 9.656 -17.586 21.865 1.00 71.24 O ATOM 721 CB VAL A 48 8.324 -16.417 19.776 1.00 11.01 C ATOM 722 CG1 VAL A 48 9.766 -16.373 19.296 1.00 61.40 C ATOM 723 CG2 VAL A 48 7.794 -17.843 19.772 1.00 30.33 C ATOM 0 H VAL A 48 9.079 -14.031 20.481 1.00 62.33 H new ATOM 0 HA VAL A 48 7.201 -15.990 21.571 1.00 40.41 H new ATOM 0 HB VAL A 48 7.720 -15.827 19.087 1.00 11.01 H new ATOM 0 HG11 VAL A 48 9.832 -16.812 18.300 1.00 61.40 H new ATOM 0 HG12 VAL A 48 10.106 -15.338 19.260 1.00 61.40 H new ATOM 0 HG13 VAL A 48 10.396 -16.938 19.983 1.00 61.40 H new ATOM 0 HG21 VAL A 48 7.887 -18.263 18.770 1.00 30.33 H new ATOM 0 HG22 VAL A 48 8.370 -18.447 20.473 1.00 30.33 H new ATOM 0 HG23 VAL A 48 6.745 -17.842 20.069 1.00 30.33 H new ATOM 733 N ASN A 49 9.618 -15.741 23.152 1.00 53.04 N ATOM 734 CA ASN A 49 10.593 -16.253 24.107 1.00 3.42 C ATOM 735 C ASN A 49 9.899 -16.960 25.268 1.00 15.14 C ATOM 736 O ASN A 49 10.397 -17.959 25.786 1.00 41.55 O ATOM 737 CB ASN A 49 11.465 -15.113 24.637 1.00 63.41 C ATOM 738 CG ASN A 49 12.468 -14.626 23.609 1.00 20.23 C ATOM 739 OD1 ASN A 49 12.125 -14.409 22.447 1.00 0.21 O ATOM 740 ND2 ASN A 49 13.713 -14.451 24.034 1.00 2.13 N ATOM 0 H ASN A 49 9.273 -14.804 23.362 1.00 53.04 H new ATOM 0 HA ASN A 49 11.225 -16.976 23.591 1.00 3.42 H new ATOM 0 HB2 ASN A 49 10.828 -14.283 24.940 1.00 63.41 H new ATOM 0 HB3 ASN A 49 11.996 -15.449 25.528 1.00 63.41 H new ATOM 0 HD21 ASN A 49 14.431 -14.124 23.388 1.00 2.13 H new ATOM 0 HD22 ASN A 49 13.952 -14.644 25.007 1.00 2.13 H new ATOM 747 N SER A 50 8.747 -16.433 25.670 1.00 44.25 N ATOM 748 CA SER A 50 7.985 -17.011 26.772 1.00 32.14 C ATOM 749 C SER A 50 6.568 -17.362 26.327 1.00 64.13 C ATOM 750 O SER A 50 6.179 -17.101 25.189 1.00 43.22 O ATOM 751 CB SER A 50 7.937 -16.039 27.952 1.00 24.20 C ATOM 752 OG SER A 50 6.863 -15.123 27.813 1.00 2.44 O ATOM 0 H SER A 50 8.321 -15.607 25.250 1.00 44.25 H new ATOM 0 HA SER A 50 8.485 -17.927 27.087 1.00 32.14 H new ATOM 0 HB2 SER A 50 7.826 -16.596 28.882 1.00 24.20 H new ATOM 0 HB3 SER A 50 8.879 -15.494 28.017 1.00 24.20 H new ATOM 0 HG SER A 50 6.852 -14.513 28.580 1.00 2.44 H new ATOM 758 N THR A 51 5.800 -17.955 27.236 1.00 5.13 N ATOM 759 CA THR A 51 4.427 -18.343 26.940 1.00 65.34 C ATOM 760 C THR A 51 3.439 -17.299 27.446 1.00 50.11 C ATOM 761 O THR A 51 3.829 -16.313 28.074 1.00 60.11 O ATOM 762 CB THR A 51 4.082 -19.708 27.566 1.00 55.53 C ATOM 763 OG1 THR A 51 5.282 -20.434 27.853 1.00 72.33 O ATOM 764 CG2 THR A 51 3.200 -20.524 26.632 1.00 1.44 C ATOM 0 H THR A 51 6.106 -18.177 28.183 1.00 5.13 H new ATOM 0 HA THR A 51 4.346 -18.418 25.856 1.00 65.34 H new ATOM 0 HB THR A 51 3.536 -19.530 28.493 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.053 -21.299 28.252 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.969 -21.483 27.095 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.274 -19.982 26.440 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.724 -20.692 25.691 1.00 1.44 H new ATOM 772 N LEU A 52 2.158 -17.521 27.172 1.00 33.00 N ATOM 773 CA LEU A 52 1.113 -16.599 27.601 1.00 60.43 C ATOM 774 C LEU A 52 -0.028 -17.347 28.283 1.00 61.44 C ATOM 775 O LEU A 52 -0.583 -18.295 27.726 1.00 62.04 O ATOM 776 CB LEU A 52 0.578 -15.810 26.404 1.00 25.32 C ATOM 777 CG LEU A 52 1.607 -14.990 25.626 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.930 -14.195 24.521 1.00 0.43 C ATOM 779 CD2 LEU A 52 2.368 -14.063 26.563 1.00 44.14 C ATOM 0 H LEU A 52 1.818 -18.332 26.655 1.00 33.00 H new ATOM 0 HA LEU A 52 1.548 -15.905 28.320 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.105 -16.510 25.715 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.202 -15.136 26.758 1.00 25.32 H new ATOM 0 HG LEU A 52 2.319 -15.676 25.168 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.678 -13.617 23.978 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.431 -14.879 23.835 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.195 -13.518 24.957 1.00 0.43 H new ATOM 0 HD21 LEU A 52 3.096 -13.487 25.992 1.00 44.14 H new ATOM 0 HD22 LEU A 52 1.669 -13.383 27.050 1.00 44.14 H new ATOM 0 HD23 LEU A 52 2.885 -14.654 27.319 1.00 44.14 H new ATOM 791 N LYS A 53 -0.374 -16.915 29.491 1.00 74.15 N ATOM 792 CA LYS A 53 -1.451 -17.542 30.248 1.00 74.21 C ATOM 793 C LYS A 53 -2.722 -16.700 30.184 1.00 31.10 C ATOM 794 O LYS A 53 -2.724 -15.532 30.572 1.00 13.00 O ATOM 795 CB LYS A 53 -1.030 -17.738 31.706 1.00 14.13 C ATOM 796 CG LYS A 53 -2.157 -18.212 32.607 1.00 13.04 C ATOM 797 CD LYS A 53 -1.722 -18.268 34.062 1.00 71.31 C ATOM 798 CE LYS A 53 -2.816 -17.765 34.990 1.00 44.24 C ATOM 799 NZ LYS A 53 -3.058 -16.305 34.822 1.00 24.22 N1+ ATOM 0 H LYS A 53 0.076 -16.133 29.967 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.657 -18.515 29.802 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.216 -18.461 31.746 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.639 -16.797 32.092 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.010 -17.541 32.507 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.489 -19.200 32.287 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.462 -19.293 34.326 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.823 -17.666 34.198 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.739 -18.311 34.793 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.538 -17.971 36.024 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.935 -16.040 35.314 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.261 -15.772 35.224 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -3.148 -16.082 33.810 1.00 24.22 H new ATOM 813 N ILE A 54 -3.800 -17.301 29.693 1.00 64.31 N ATOM 814 CA ILE A 54 -5.077 -16.608 29.582 1.00 34.23 C ATOM 815 C ILE A 54 -6.178 -17.362 30.320 1.00 24.45 C ATOM 816 O ILE A 54 -6.505 -18.499 29.978 1.00 52.53 O ATOM 817 CB ILE A 54 -5.492 -16.427 28.110 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.379 -15.729 27.325 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.787 -15.634 28.019 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.612 -15.712 25.831 1.00 73.40 C ATOM 0 H ILE A 54 -3.814 -18.267 29.366 1.00 64.31 H new ATOM 0 HA ILE A 54 -4.944 -15.627 30.037 1.00 34.23 H new ATOM 0 HB ILE A 54 -5.658 -17.411 27.672 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.283 -14.703 27.681 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.432 -16.228 27.531 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.068 -15.514 26.973 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.578 -16.166 28.548 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.645 -14.652 28.471 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.784 -15.202 25.339 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -4.678 -16.735 25.461 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.542 -15.187 25.614 1.00 73.40 H new ATOM 832 N THR A 55 -6.750 -16.720 31.334 1.00 53.10 N ATOM 833 CA THR A 55 -7.816 -17.328 32.121 1.00 62.11 C ATOM 834 C THR A 55 -9.138 -16.595 31.915 1.00 50.41 C ATOM 835 O THR A 55 -9.159 -15.386 31.682 1.00 11.34 O ATOM 836 CB THR A 55 -7.473 -17.333 33.622 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.351 -15.989 34.102 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.177 -18.088 33.879 1.00 13.32 C ATOM 0 H THR A 55 -6.493 -15.778 31.630 1.00 53.10 H new ATOM 0 HA THR A 55 -7.917 -18.357 31.776 1.00 62.11 H new ATOM 0 HB THR A 55 -8.280 -17.836 34.154 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.134 -16.001 35.058 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.956 -18.078 34.946 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.283 -19.119 33.540 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.363 -17.609 33.335 1.00 13.32 H new ATOM 846 N TYR A 56 -10.238 -17.335 32.003 1.00 11.42 N ATOM 847 CA TYR A 56 -11.563 -16.756 31.826 1.00 11.02 C ATOM 848 C TYR A 56 -12.471 -17.102 33.002 1.00 62.40 C ATOM 849 O TYR A 56 -12.267 -18.108 33.683 1.00 41.44 O ATOM 850 CB TYR A 56 -12.189 -17.251 30.521 1.00 44.12 C ATOM 851 CG TYR A 56 -11.281 -17.105 29.321 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.255 -18.012 29.086 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.450 -16.061 28.420 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.422 -17.882 27.992 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.624 -15.924 27.322 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.611 -16.837 27.112 1.00 31.42 C ATOM 857 OH TYR A 56 -8.785 -16.704 26.019 1.00 41.25 O ATOM 0 H TYR A 56 -10.237 -18.337 32.196 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.454 -15.672 31.781 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.462 -18.300 30.634 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.111 -16.699 30.338 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.106 -18.833 29.771 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.241 -15.344 28.581 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.627 -18.594 27.827 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -10.770 -15.107 26.631 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.474 -17.589 25.735 1.00 41.25 H new ATOM 867 N ILE A 57 -13.475 -16.263 33.233 1.00 62.21 N ATOM 868 CA ILE A 57 -14.416 -16.480 34.326 1.00 35.22 C ATOM 869 C ILE A 57 -15.616 -17.299 33.862 1.00 41.02 C ATOM 870 O ILE A 57 -16.471 -16.804 33.128 1.00 74.23 O ATOM 871 CB ILE A 57 -14.914 -15.147 34.913 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.989 -15.401 35.972 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.452 -14.249 33.809 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.470 -14.142 36.659 1.00 34.03 C ATOM 0 H ILE A 57 -13.658 -15.427 32.678 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.881 -17.030 35.100 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.074 -14.641 35.389 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.839 -15.897 35.503 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.594 -16.086 36.722 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.800 -13.311 34.241 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.661 -14.045 33.088 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.281 -14.747 33.307 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.231 -14.398 37.397 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.631 -13.656 37.157 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.895 -13.464 35.919 1.00 34.03 H new ATOM 886 N GLY A 58 -15.674 -18.554 34.298 1.00 41.22 N ATOM 887 CA GLY A 58 -16.775 -19.420 33.919 1.00 34.45 C ATOM 888 C GLY A 58 -16.303 -20.700 33.258 1.00 45.03 C ATOM 889 O GLY A 58 -16.704 -21.795 33.654 1.00 23.42 O ATOM 0 H GLY A 58 -14.979 -18.986 34.906 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.361 -19.666 34.804 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.436 -18.885 33.238 1.00 34.45 H new ATOM 893 N TYR A 59 -15.452 -20.564 32.248 1.00 61.23 N ATOM 894 CA TYR A 59 -14.930 -21.720 31.528 1.00 30.13 C ATOM 895 C TYR A 59 -13.475 -21.984 31.906 1.00 1.25 C ATOM 896 O TYR A 59 -12.840 -21.177 32.584 1.00 60.34 O ATOM 897 CB TYR A 59 -15.044 -21.502 30.018 1.00 42.25 C ATOM 898 CG TYR A 59 -16.466 -21.550 29.506 1.00 43.24 C ATOM 899 CD1 TYR A 59 -16.869 -22.531 28.609 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.406 -20.614 29.919 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.167 -22.578 28.137 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.706 -20.655 29.454 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.082 -21.639 28.563 1.00 4.31 C ATOM 904 OH TYR A 59 -20.376 -21.682 28.096 1.00 24.41 O ATOM 0 H TYR A 59 -15.109 -19.665 31.909 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.524 -22.590 31.808 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.608 -20.536 29.765 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.456 -22.262 29.504 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.156 -23.270 28.275 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.115 -19.841 30.615 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.463 -23.346 27.438 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.425 -19.920 29.786 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.892 -20.951 28.495 1.00 24.41 H new ATOM 914 N LYS A 60 -12.954 -23.122 31.461 1.00 52.23 N ATOM 915 CA LYS A 60 -11.573 -23.496 31.749 1.00 72.32 C ATOM 916 C LYS A 60 -10.599 -22.520 31.099 1.00 51.35 C ATOM 917 O LYS A 60 -10.864 -21.955 30.037 1.00 73.04 O ATOM 918 CB LYS A 60 -11.295 -24.917 31.255 1.00 13.13 C ATOM 919 CG LYS A 60 -11.639 -25.993 32.270 1.00 75.30 C ATOM 920 CD LYS A 60 -10.714 -27.193 32.149 1.00 4.44 C ATOM 921 CE LYS A 60 -10.921 -28.173 33.293 1.00 2.10 C ATOM 922 NZ LYS A 60 -10.108 -29.409 33.117 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.467 -23.802 30.899 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.430 -23.459 32.829 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -11.866 -25.094 30.343 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.241 -25.001 30.992 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.570 -25.580 33.276 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.671 -26.313 32.127 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -10.893 -27.697 31.199 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -9.678 -26.856 32.140 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -10.654 -27.694 34.235 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.976 -28.438 33.358 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -10.276 -30.052 33.917 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -10.380 -29.880 32.231 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.099 -29.159 33.081 1.00 3.41 H new ATOM 936 N PRO A 61 -9.442 -22.316 31.747 1.00 20.42 N ATOM 937 CA PRO A 61 -8.404 -21.409 31.248 1.00 52.34 C ATOM 938 C PRO A 61 -7.720 -21.945 29.995 1.00 43.11 C ATOM 939 O PRO A 61 -8.066 -23.016 29.497 1.00 71.32 O ATOM 940 CB PRO A 61 -7.410 -21.335 32.410 1.00 12.55 C ATOM 941 CG PRO A 61 -7.602 -22.610 33.155 1.00 64.21 C ATOM 942 CD PRO A 61 -9.060 -22.955 33.018 1.00 62.33 C ATOM 0 HA PRO A 61 -8.813 -20.442 30.957 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.386 -21.238 32.049 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.608 -20.472 33.045 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -6.974 -23.400 32.744 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.325 -22.495 34.203 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.217 -24.033 32.989 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.645 -22.570 33.853 1.00 62.33 H new ATOM 950 N VAL A 62 -6.746 -21.194 29.491 1.00 41.12 N ATOM 951 CA VAL A 62 -6.012 -21.594 28.297 1.00 22.22 C ATOM 952 C VAL A 62 -4.599 -21.020 28.301 1.00 13.54 C ATOM 953 O VAL A 62 -4.367 -19.916 28.794 1.00 74.11 O ATOM 954 CB VAL A 62 -6.734 -21.139 27.015 1.00 23.31 C ATOM 955 CG1 VAL A 62 -6.518 -19.652 26.779 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.259 -21.950 25.819 1.00 33.21 C ATOM 0 H VAL A 62 -6.447 -20.305 29.891 1.00 41.12 H new ATOM 0 HA VAL A 62 -5.959 -22.683 28.309 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.803 -21.312 27.141 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -7.036 -19.349 25.869 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -6.912 -19.088 27.625 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -5.452 -19.451 26.674 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -6.780 -21.615 24.922 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -5.186 -21.811 25.689 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.471 -23.006 25.988 1.00 33.21 H new ATOM 966 N THR A 63 -3.657 -21.778 27.750 1.00 11.33 N ATOM 967 CA THR A 63 -2.266 -21.347 27.692 1.00 11.40 C ATOM 968 C THR A 63 -1.688 -21.543 26.295 1.00 54.21 C ATOM 969 O THR A 63 -1.812 -22.618 25.706 1.00 35.44 O ATOM 970 CB THR A 63 -1.397 -22.112 28.707 1.00 13.53 C ATOM 971 OG1 THR A 63 -1.689 -23.512 28.644 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.639 -21.601 30.120 1.00 60.11 C ATOM 0 H THR A 63 -3.832 -22.694 27.337 1.00 11.33 H new ATOM 0 HA THR A 63 -2.253 -20.286 27.942 1.00 11.40 H new ATOM 0 HB THR A 63 -0.350 -21.948 28.453 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.809 -23.779 27.709 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.014 -22.156 30.820 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.388 -20.541 30.172 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.688 -21.739 30.382 1.00 60.11 H new ATOM 980 N VAL A 64 -1.053 -20.500 25.769 1.00 54.51 N ATOM 981 CA VAL A 64 -0.455 -20.559 24.441 1.00 53.21 C ATOM 982 C VAL A 64 0.721 -19.595 24.326 1.00 13.32 C ATOM 983 O VAL A 64 0.796 -18.600 25.046 1.00 10.04 O ATOM 984 CB VAL A 64 -1.484 -20.230 23.345 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.459 -21.384 23.164 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.225 -18.944 23.679 1.00 14.45 C ATOM 0 H VAL A 64 -0.940 -19.604 26.243 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.101 -21.580 24.299 1.00 53.21 H new ATOM 0 HB VAL A 64 -0.953 -20.083 22.405 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.179 -21.133 22.385 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -1.911 -22.281 22.876 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -2.986 -21.565 24.101 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -2.949 -18.726 22.893 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -2.745 -19.060 24.630 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.513 -18.122 23.754 1.00 14.45 H new ATOM 996 N LYS A 65 1.639 -19.896 23.412 1.00 23.50 N ATOM 997 CA LYS A 65 2.811 -19.055 23.199 1.00 33.44 C ATOM 998 C LYS A 65 2.436 -17.778 22.453 1.00 51.13 C ATOM 999 O LYS A 65 1.472 -17.755 21.689 1.00 14.12 O ATOM 1000 CB LYS A 65 3.878 -19.822 22.415 1.00 53.40 C ATOM 1001 CG LYS A 65 3.369 -20.411 21.111 1.00 44.43 C ATOM 1002 CD LYS A 65 4.511 -20.726 20.159 1.00 43.14 C ATOM 1003 CE LYS A 65 5.285 -21.958 20.607 1.00 1.42 C ATOM 1004 NZ LYS A 65 6.648 -22.002 20.011 1.00 70.32 N1+ ATOM 0 H LYS A 65 1.593 -20.716 22.807 1.00 23.50 H new ATOM 0 HA LYS A 65 3.213 -18.780 24.174 1.00 33.44 H new ATOM 0 HB2 LYS A 65 4.711 -19.152 22.201 1.00 53.40 H new ATOM 0 HB3 LYS A 65 4.268 -20.626 23.039 1.00 53.40 H new ATOM 0 HG2 LYS A 65 2.804 -21.320 21.317 1.00 44.43 H new ATOM 0 HG3 LYS A 65 2.682 -19.710 20.637 1.00 44.43 H new ATOM 0 HD2 LYS A 65 4.116 -20.888 19.156 1.00 43.14 H new ATOM 0 HD3 LYS A 65 5.185 -19.872 20.102 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.363 -21.962 21.694 1.00 1.42 H new ATOM 0 HE3 LYS A 65 4.735 -22.856 20.323 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 7.143 -22.855 20.340 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 6.573 -22.023 18.974 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 7.182 -21.158 20.302 1.00 70.32 H new ATOM 1018 N ALA A 66 3.206 -16.720 22.679 1.00 25.33 N ATOM 1019 CA ALA A 66 2.957 -15.441 22.025 1.00 72.41 C ATOM 1020 C ALA A 66 2.995 -15.584 20.507 1.00 62.14 C ATOM 1021 O ALA A 66 4.006 -15.994 19.938 1.00 13.22 O ATOM 1022 CB ALA A 66 3.973 -14.406 22.485 1.00 71.52 C ATOM 0 H ALA A 66 4.008 -16.723 23.310 1.00 25.33 H new ATOM 0 HA ALA A 66 1.959 -15.105 22.307 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.775 -13.456 21.989 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.895 -14.275 23.564 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.978 -14.745 22.232 1.00 71.52 H new ATOM 1028 N ALA A 67 1.887 -15.243 19.857 1.00 60.43 N ATOM 1029 CA ALA A 67 1.796 -15.332 18.405 1.00 33.34 C ATOM 1030 C ALA A 67 0.870 -14.256 17.846 1.00 63.13 C ATOM 1031 O ALA A 67 -0.067 -13.821 18.516 1.00 55.04 O ATOM 1032 CB ALA A 67 1.311 -16.714 17.991 1.00 32.31 C ATOM 0 H ALA A 67 1.040 -14.903 20.313 1.00 60.43 H new ATOM 0 HA ALA A 67 2.792 -15.169 17.992 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.248 -16.767 16.904 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.011 -17.468 18.351 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.327 -16.898 18.421 1.00 32.31 H new ATOM 1038 N ALA A 68 1.140 -13.830 16.617 1.00 60.23 N ATOM 1039 CA ALA A 68 0.330 -12.806 15.968 1.00 73.13 C ATOM 1040 C ALA A 68 -1.151 -13.165 16.017 1.00 2.42 C ATOM 1041 O ALA A 68 -1.976 -12.372 16.473 1.00 53.41 O ATOM 1042 CB ALA A 68 0.781 -12.611 14.529 1.00 13.31 C ATOM 0 H ALA A 68 1.913 -14.178 16.050 1.00 60.23 H new ATOM 0 HA ALA A 68 0.468 -11.870 16.510 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.168 -11.844 14.056 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.826 -12.301 14.514 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.673 -13.549 13.984 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.481 -14.361 15.544 1.00 72.31 N ATOM 1049 CA ILE A 69 -2.863 -14.825 15.535 1.00 43.13 C ATOM 1050 C ILE A 69 -3.036 -16.059 16.413 1.00 23.51 C ATOM 1051 O ILE A 69 -2.248 -17.002 16.339 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.337 -15.153 14.107 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.132 -13.948 13.187 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -4.799 -15.575 14.118 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -1.833 -13.993 12.414 1.00 23.11 C ATOM 0 H ILE A 69 -0.810 -15.027 15.162 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.471 -14.012 15.933 1.00 43.13 H new ATOM 0 HB ILE A 69 -2.742 -15.982 13.725 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -3.963 -13.893 12.483 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.159 -13.036 13.784 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.119 -15.804 13.102 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -4.918 -16.460 14.743 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.409 -14.764 14.517 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -1.754 -13.108 11.783 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -0.995 -14.017 13.111 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -1.812 -14.887 11.790 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.073 -16.048 17.244 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.352 -17.168 18.135 1.00 74.42 C ATOM 1069 C VAL A 70 -5.852 -17.348 18.339 1.00 52.51 C ATOM 1070 O VAL A 70 -6.529 -16.461 18.857 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.678 -16.975 19.507 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.078 -15.640 20.115 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -4.031 -18.124 20.439 1.00 74.33 C ATOM 0 H VAL A 70 -4.734 -15.275 17.319 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.943 -18.060 17.660 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.597 -16.972 19.365 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.592 -15.521 21.084 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.769 -14.831 19.453 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.160 -15.609 20.245 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.547 -17.972 21.404 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -5.112 -18.161 20.577 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.688 -19.063 20.005 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.365 -18.504 17.928 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.786 -18.801 18.067 1.00 11.52 C ATOM 1085 C ASN A 71 -8.001 -20.040 18.929 1.00 55.40 C ATOM 1086 O ASN A 71 -7.703 -21.160 18.512 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.422 -19.006 16.690 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.422 -17.738 15.858 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -7.855 -17.698 14.766 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.062 -16.694 16.372 1.00 50.40 N ATOM 0 H ASN A 71 -5.818 -19.249 17.497 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.263 -17.953 18.558 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.882 -19.788 16.156 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.447 -19.355 16.815 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.097 -15.814 15.858 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.518 -16.772 17.281 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.522 -19.834 20.134 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.780 -20.934 21.055 1.00 24.20 C ATOM 1099 C VAL A 72 -10.223 -20.914 21.545 1.00 31.43 C ATOM 1100 O VAL A 72 -10.807 -19.849 21.750 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.836 -20.881 22.271 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -7.991 -22.132 23.122 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.394 -20.709 21.819 1.00 24.11 C ATOM 0 H VAL A 72 -8.774 -18.914 20.496 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.599 -21.857 20.504 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.106 -20.019 22.882 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.316 -22.077 23.976 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.019 -22.206 23.476 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.749 -23.011 22.525 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.741 -20.674 22.691 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.108 -21.549 21.186 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.298 -19.781 21.256 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.795 -22.099 21.731 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.171 -22.219 22.199 1.00 72.02 C ATOM 1115 C LEU A 73 -12.218 -22.445 23.706 1.00 3.23 C ATOM 1116 O LEU A 73 -11.348 -23.110 24.272 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.877 -23.369 21.477 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.938 -23.268 19.953 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.703 -23.896 19.327 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.202 -23.931 19.425 1.00 64.32 C ATOM 0 H LEU A 73 -10.327 -22.990 21.565 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.687 -21.285 21.975 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.374 -24.300 21.740 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.896 -23.439 21.858 1.00 3.23 H new ATOM 0 HG LEU A 73 -12.963 -22.213 19.678 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.764 -23.815 18.242 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.812 -23.377 19.680 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -11.646 -24.947 19.610 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.229 -23.850 18.338 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.207 -24.983 19.710 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -15.076 -23.436 19.848 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.237 -21.891 24.352 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.398 -22.033 25.794 1.00 22.25 C ATOM 1134 C LEU A 74 -14.182 -23.297 26.133 1.00 10.24 C ATOM 1135 O LEU A 74 -15.320 -23.468 25.696 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.109 -20.808 26.372 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.368 -20.062 27.481 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.969 -19.676 27.022 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.150 -18.829 27.910 1.00 34.41 C ATOM 0 H LEU A 74 -13.965 -21.338 23.899 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.406 -22.113 26.239 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.304 -20.109 25.559 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.078 -21.124 26.759 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.276 -20.726 28.341 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.456 -19.146 27.824 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.409 -20.575 26.766 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.039 -19.030 26.147 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.607 -18.311 28.700 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.274 -18.162 27.057 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.130 -19.130 28.280 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.567 -24.178 26.915 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.208 -25.425 27.312 1.00 73.42 C ATOM 1153 C GLU A 75 -14.806 -25.308 28.711 1.00 44.11 C ATOM 1154 O GLU A 75 -14.177 -24.772 29.623 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.204 -26.578 27.270 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.837 -27.928 26.981 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.809 -29.026 26.789 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.601 -28.710 26.755 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -13.212 -30.203 26.673 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.625 -24.051 27.286 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.013 -25.629 26.607 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.454 -26.368 26.508 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -12.682 -26.628 28.225 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.501 -28.197 27.803 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -14.453 -27.852 26.085 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.025 -25.813 28.872 1.00 14.42 N ATOM 1167 CA GLU A 76 -16.709 -25.764 30.159 1.00 55.40 C ATOM 1168 C GLU A 76 -15.855 -26.397 31.253 1.00 52.44 C ATOM 1169 O GLU A 76 -15.198 -27.415 31.032 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.060 -26.478 30.072 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.857 -26.124 28.830 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.350 -26.305 29.023 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.951 -25.507 29.772 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.916 -27.245 28.427 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.559 -26.261 28.127 1.00 14.42 H new ATOM 0 HA GLU A 76 -16.876 -24.717 30.413 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -17.894 -27.555 30.092 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -18.650 -26.230 30.955 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.653 -25.089 28.555 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.524 -26.746 28.000 1.00 75.12 H new ATOM 1181 N ASP A 77 -15.868 -25.786 32.434 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.095 -26.289 33.563 1.00 14.13 C ATOM 1183 C ASP A 77 -16.006 -26.942 34.597 1.00 2.45 C ATOM 1184 O ASP A 77 -16.449 -26.295 35.547 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.299 -25.155 34.210 1.00 0.41 C ATOM 1186 CG ASP A 77 -13.375 -25.648 35.306 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.010 -26.842 35.282 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -13.016 -24.840 36.188 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.405 -24.942 32.633 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.401 -27.042 33.189 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -13.712 -24.645 33.446 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -14.990 -24.421 34.624 1.00 0.41 H new