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 27 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0.00554 USER MOD Set 1.3: A 50 SER OG : rot -150:sc= -2.58! USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.0687 USER MOD Single : A 9 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.11) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0377) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -15:sc= 0.559 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.6) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.0691 USER MOD Single : A 36 THR OG1 : rot 134:sc= 1.01 USER MOD Single : A 41 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.39) 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= -0.423 X(o=-0.42,f=-0.11) 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=-0.00657 USER MOD Single : A 56 TYR OH : rot 15:sc= -5.03! USER MOD Single : A 59 TYR OH : rot 60:sc= -2.94! USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= -0.0645 (180deg=-0.388) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0541 X(o=0.054,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -5.456 -12.437 17.140 1.00 4.54 N ATOM 164 CA GLY A 8 -5.864 -12.859 18.467 1.00 1.12 C ATOM 165 C GLY A 8 -7.362 -12.765 18.671 1.00 12.44 C ATOM 166 O GLY A 8 -7.931 -11.674 18.646 1.00 42.34 O ATOM 0 HA2 GLY A 8 -5.542 -13.887 18.633 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.360 -12.243 19.212 1.00 1.12 H new ATOM 170 N ASN A 9 -8.004 -13.911 18.872 1.00 51.20 N ATOM 171 CA ASN A 9 -9.448 -13.953 19.079 1.00 63.11 C ATOM 172 C ASN A 9 -9.856 -15.233 19.803 1.00 4.24 C ATOM 173 O ASN A 9 -9.626 -16.337 19.312 1.00 20.25 O ATOM 174 CB ASN A 9 -10.179 -13.857 17.738 1.00 62.31 C ATOM 175 CG ASN A 9 -11.617 -14.328 17.830 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.096 -15.063 16.967 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.314 -13.904 18.878 1.00 54.03 N ATOM 0 H ASN A 9 -7.548 -14.823 18.896 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.727 -13.101 19.699 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.159 -12.824 17.389 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.650 -14.455 16.995 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.287 -14.187 18.992 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.876 -13.295 19.569 1.00 54.03 H new ATOM 184 N VAL A 10 -10.464 -15.074 20.975 1.00 11.42 N ATOM 185 CA VAL A 10 -10.907 -16.215 21.766 1.00 24.54 C ATOM 186 C VAL A 10 -12.429 -16.295 21.814 1.00 65.31 C ATOM 187 O VAL A 10 -13.109 -15.282 21.982 1.00 73.33 O ATOM 188 CB VAL A 10 -10.362 -16.147 23.205 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.750 -17.394 23.985 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.852 -15.963 23.194 1.00 42.41 C ATOM 0 H VAL A 10 -10.661 -14.166 21.397 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.515 -17.108 21.279 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.807 -15.285 23.702 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.356 -17.326 24.999 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.836 -17.476 24.023 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.337 -18.274 23.493 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.484 -15.917 24.219 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.387 -16.803 22.679 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.602 -15.037 22.677 1.00 42.41 H new ATOM 200 N THR A 11 -12.958 -17.505 21.666 1.00 10.10 N ATOM 201 CA THR A 11 -14.400 -17.716 21.692 1.00 34.03 C ATOM 202 C THR A 11 -14.769 -18.875 22.612 1.00 20.04 C ATOM 203 O THR A 11 -13.898 -19.511 23.203 1.00 73.43 O ATOM 204 CB THR A 11 -14.951 -18.000 20.281 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.107 -18.937 19.604 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.045 -16.716 19.470 1.00 3.03 C ATOM 0 H THR A 11 -12.410 -18.354 21.527 1.00 10.10 H new ATOM 0 HA THR A 11 -14.848 -16.797 22.071 1.00 34.03 H new ATOM 0 HB THR A 11 -15.951 -18.422 20.383 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.465 -19.113 18.709 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.436 -16.940 18.478 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.712 -16.016 19.973 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.054 -16.271 19.377 1.00 3.03 H new ATOM 214 N SER A 12 -16.066 -19.143 22.725 1.00 72.20 N ATOM 215 CA SER A 12 -16.551 -20.224 23.576 1.00 63.13 C ATOM 216 C SER A 12 -16.880 -21.462 22.746 1.00 64.31 C ATOM 217 O SER A 12 -17.206 -21.363 21.564 1.00 41.10 O ATOM 218 CB SER A 12 -17.788 -19.773 24.353 1.00 31.13 C ATOM 219 OG SER A 12 -17.858 -20.411 25.618 1.00 24.24 O ATOM 0 H SER A 12 -16.799 -18.627 22.239 1.00 72.20 H new ATOM 0 HA SER A 12 -15.761 -20.481 24.282 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.762 -18.692 24.489 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.685 -20.000 23.778 1.00 31.13 H new ATOM 0 HG SER A 12 -18.657 -20.104 26.095 1.00 24.24 H new ATOM 225 N LYS A 13 -16.791 -22.628 23.376 1.00 44.22 N ATOM 226 CA LYS A 13 -17.081 -23.888 22.700 1.00 60.22 C ATOM 227 C LYS A 13 -18.540 -24.286 22.893 1.00 54.30 C ATOM 228 O LYS A 13 -18.910 -25.444 22.696 1.00 2.34 O ATOM 229 CB LYS A 13 -16.165 -24.994 23.225 1.00 51.22 C ATOM 230 CG LYS A 13 -15.903 -26.099 22.216 1.00 2.31 C ATOM 231 CD LYS A 13 -15.655 -27.433 22.899 1.00 13.33 C ATOM 232 CE LYS A 13 -15.324 -28.522 21.892 1.00 53.45 C ATOM 233 NZ LYS A 13 -16.494 -28.861 21.037 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.520 -22.727 24.354 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.899 -23.750 21.634 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.214 -24.554 23.524 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.611 -25.429 24.120 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.756 -26.187 21.543 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.040 -25.837 21.604 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.835 -27.332 23.610 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.538 -27.720 23.470 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -14.497 -28.195 21.262 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.989 -29.415 22.420 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -16.265 -29.686 20.446 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -17.312 -29.083 21.640 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.724 -28.051 20.427 1.00 51.21 H new ATOM 247 N THR A 14 -19.368 -23.319 23.280 1.00 41.41 N ATOM 248 CA THR A 14 -20.786 -23.570 23.498 1.00 75.14 C ATOM 249 C THR A 14 -21.601 -23.249 22.251 1.00 53.42 C ATOM 250 O THR A 14 -22.290 -24.114 21.709 1.00 1.11 O ATOM 251 CB THR A 14 -21.327 -22.739 24.677 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.995 -21.358 24.497 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.754 -23.235 25.997 1.00 0.42 C ATOM 0 H THR A 14 -19.079 -22.355 23.448 1.00 41.41 H new ATOM 0 HA THR A 14 -20.887 -24.630 23.731 1.00 75.14 H new ATOM 0 HB THR A 14 -22.411 -22.851 24.704 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.344 -20.837 25.250 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.150 -22.633 26.815 1.00 0.42 H new ATOM 0 HG22 THR A 14 -21.033 -24.278 26.146 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.668 -23.150 25.977 1.00 0.42 H new ATOM 261 N ASP A 15 -21.517 -22.003 21.798 1.00 13.30 N ATOM 262 CA ASP A 15 -22.245 -21.569 20.612 1.00 3.24 C ATOM 263 C ASP A 15 -21.284 -21.071 19.537 1.00 54.23 C ATOM 264 O ASP A 15 -21.589 -21.121 18.346 1.00 30.21 O ATOM 265 CB ASP A 15 -23.241 -20.466 20.974 1.00 34.54 C ATOM 266 CG ASP A 15 -24.529 -21.018 21.556 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.708 -20.929 22.788 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.356 -21.539 20.779 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.951 -21.275 22.235 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.791 -22.426 20.217 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.782 -19.787 21.693 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.470 -19.880 20.084 1.00 34.54 H new ATOM 273 N GLY A 16 -20.122 -20.588 19.966 1.00 45.50 N ATOM 274 CA GLY A 16 -19.135 -20.086 19.028 1.00 13.14 C ATOM 275 C GLY A 16 -19.060 -18.572 19.020 1.00 50.04 C ATOM 276 O GLY A 16 -18.729 -17.968 18.001 1.00 53.34 O ATOM 0 H GLY A 16 -19.847 -20.535 20.947 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.157 -20.494 19.282 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.378 -20.440 18.026 1.00 13.14 H new ATOM 280 N GLN A 17 -19.370 -17.960 20.158 1.00 15.14 N ATOM 281 CA GLN A 17 -19.338 -16.506 20.276 1.00 71.43 C ATOM 282 C GLN A 17 -18.044 -16.042 20.934 1.00 32.32 C ATOM 283 O GLN A 17 -17.351 -16.807 21.607 1.00 12.20 O ATOM 284 CB GLN A 17 -20.540 -16.014 21.084 1.00 54.31 C ATOM 285 CG GLN A 17 -21.742 -15.651 20.226 1.00 63.40 C ATOM 286 CD GLN A 17 -22.727 -14.755 20.951 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.359 -13.701 21.470 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.987 -15.170 20.990 1.00 74.15 N ATOM 0 H GLN A 17 -19.646 -18.447 21.011 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.385 -16.083 19.272 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.831 -16.788 21.794 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.243 -15.142 21.667 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.399 -15.150 19.321 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.249 -16.564 19.913 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -24.248 -16.051 20.546 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.694 -14.608 21.464 1.00 74.15 H new ATOM 297 N PRO A 18 -17.705 -14.759 20.736 1.00 51.11 N ATOM 298 CA PRO A 18 -16.492 -14.163 21.303 1.00 61.23 C ATOM 299 C PRO A 18 -16.573 -14.011 22.818 1.00 5.35 C ATOM 300 O PRO A 18 -17.635 -13.711 23.365 1.00 41.13 O ATOM 301 CB PRO A 18 -16.423 -12.791 20.630 1.00 11.54 C ATOM 302 CG PRO A 18 -17.834 -12.474 20.271 1.00 0.34 C ATOM 303 CD PRO A 18 -18.484 -13.791 19.945 1.00 14.12 C ATOM 0 HA PRO A 18 -15.613 -14.783 21.128 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.007 -12.041 21.303 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.785 -12.815 19.746 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.345 -11.980 21.097 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.877 -11.796 19.419 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.538 -13.799 20.224 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.435 -14.011 18.879 1.00 14.12 H new ATOM 311 N ILE A 19 -15.447 -14.220 23.491 1.00 51.31 N ATOM 312 CA ILE A 19 -15.392 -14.104 24.942 1.00 72.32 C ATOM 313 C ILE A 19 -14.975 -12.699 25.365 1.00 61.13 C ATOM 314 O ILE A 19 -13.862 -12.257 25.077 1.00 31.30 O ATOM 315 CB ILE A 19 -14.412 -15.123 25.552 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.812 -16.546 25.158 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.370 -14.978 27.066 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.207 -16.927 25.603 1.00 75.31 C ATOM 0 H ILE A 19 -14.560 -14.471 23.054 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.396 -14.311 25.313 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.414 -14.925 25.161 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.745 -16.647 24.075 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -14.098 -17.248 25.588 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.673 -15.705 27.482 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.043 -13.971 27.326 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.365 -15.153 27.476 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.423 -17.948 25.290 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.274 -16.859 26.689 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.931 -16.249 25.152 1.00 75.31 H new ATOM 330 N ILE A 20 -15.874 -12.002 26.053 1.00 0.14 N ATOM 331 CA ILE A 20 -15.599 -10.649 26.519 1.00 33.25 C ATOM 332 C ILE A 20 -15.168 -10.649 27.981 1.00 4.43 C ATOM 333 O ILE A 20 -15.579 -11.508 28.760 1.00 31.01 O ATOM 334 CB ILE A 20 -16.828 -9.737 26.356 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.408 -9.871 24.946 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.457 -8.290 26.647 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.679 -9.079 24.738 1.00 42.20 C ATOM 0 H ILE A 20 -16.799 -12.353 26.300 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.787 -10.262 25.904 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.589 -10.048 27.072 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.662 -9.542 24.222 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.608 -10.923 24.742 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.337 -7.658 26.527 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.087 -8.208 27.669 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.681 -7.967 25.953 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.033 -9.221 23.717 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.441 -9.423 25.438 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.481 -8.021 24.909 1.00 42.20 H new ATOM 349 N GLY A 21 -14.339 -9.676 28.348 1.00 4.13 N ATOM 350 CA GLY A 21 -13.869 -9.580 29.718 1.00 62.52 C ATOM 351 C GLY A 21 -13.003 -10.759 30.117 1.00 10.52 C ATOM 352 O GLY A 21 -13.206 -11.357 31.173 1.00 13.11 O ATOM 0 H GLY A 21 -13.985 -8.953 27.722 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.301 -8.658 29.840 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.725 -9.518 30.389 1.00 62.52 H new ATOM 356 N ALA A 22 -12.035 -11.093 29.271 1.00 14.24 N ATOM 357 CA ALA A 22 -11.135 -12.208 29.541 1.00 24.05 C ATOM 358 C ALA A 22 -9.849 -11.726 30.204 1.00 13.45 C ATOM 359 O ALA A 22 -9.484 -10.555 30.095 1.00 23.13 O ATOM 360 CB ALA A 22 -10.820 -12.955 28.254 1.00 63.11 C ATOM 0 H ALA A 22 -11.853 -10.608 28.392 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.635 -12.889 30.230 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.147 -13.785 28.470 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.743 -13.340 27.821 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.343 -12.276 27.547 1.00 63.11 H new ATOM 366 N SER A 23 -9.166 -12.636 30.891 1.00 20.43 N ATOM 367 CA SER A 23 -7.923 -12.303 31.575 1.00 45.41 C ATOM 368 C SER A 23 -6.721 -12.873 30.828 1.00 32.33 C ATOM 369 O SER A 23 -6.486 -14.082 30.837 1.00 40.44 O ATOM 370 CB SER A 23 -7.946 -12.837 33.009 1.00 52.44 C ATOM 371 OG SER A 23 -8.004 -11.776 33.947 1.00 21.24 O ATOM 0 H SER A 23 -9.453 -13.610 30.988 1.00 20.43 H new ATOM 0 HA SER A 23 -7.832 -11.217 31.600 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.807 -13.492 33.143 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.056 -13.439 33.191 1.00 52.44 H new ATOM 0 HG SER A 23 -8.019 -12.143 34.856 1.00 21.24 H new ATOM 377 N VAL A 24 -5.963 -11.993 30.179 1.00 70.10 N ATOM 378 CA VAL A 24 -4.786 -12.408 29.427 1.00 11.40 C ATOM 379 C VAL A 24 -3.508 -11.889 30.077 1.00 21.15 C ATOM 380 O VAL A 24 -3.218 -10.692 30.033 1.00 75.44 O ATOM 381 CB VAL A 24 -4.846 -11.911 27.970 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.725 -12.527 27.149 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.203 -12.224 27.357 1.00 64.12 C ATOM 0 H VAL A 24 -6.144 -10.989 30.160 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.776 -13.498 29.431 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.712 -10.829 27.967 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.784 -12.164 26.123 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.763 -12.247 27.578 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.823 -13.613 27.156 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.229 -11.866 26.328 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.369 -13.301 27.371 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.985 -11.729 27.933 1.00 64.12 H new ATOM 393 N VAL A 25 -2.746 -12.795 30.679 1.00 54.40 N ATOM 394 CA VAL A 25 -1.498 -12.429 31.338 1.00 74.22 C ATOM 395 C VAL A 25 -0.343 -13.296 30.848 1.00 74.52 C ATOM 396 O VAL A 25 -0.501 -14.499 30.646 1.00 52.34 O ATOM 397 CB VAL A 25 -1.610 -12.562 32.868 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.799 -11.767 33.387 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.720 -14.025 33.270 1.00 31.03 C ATOM 0 H VAL A 25 -2.971 -13.789 30.724 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.301 -11.387 31.085 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.705 -12.153 33.318 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.863 -11.873 34.470 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.672 -10.715 33.132 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.715 -12.143 32.931 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.798 -14.099 34.355 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.607 -14.463 32.811 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.834 -14.563 32.932 1.00 31.03 H new ATOM 409 N GLU A 26 0.817 -12.675 30.659 1.00 60.03 N ATOM 410 CA GLU A 26 1.998 -13.391 30.192 1.00 2.03 C ATOM 411 C GLU A 26 2.822 -13.908 31.368 1.00 74.12 C ATOM 412 O GLU A 26 2.601 -13.518 32.514 1.00 32.34 O ATOM 413 CB GLU A 26 2.859 -12.481 29.313 1.00 54.12 C ATOM 414 CG GLU A 26 2.064 -11.709 28.274 1.00 11.04 C ATOM 415 CD GLU A 26 1.476 -10.424 28.826 1.00 42.11 C ATOM 416 OE1 GLU A 26 0.260 -10.399 29.104 1.00 1.54 O ATOM 417 OE2 GLU A 26 2.235 -9.444 28.979 1.00 73.20 O1- ATOM 0 H GLU A 26 0.964 -11.679 30.822 1.00 60.03 H new ATOM 0 HA GLU A 26 1.664 -14.244 29.602 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.392 -11.774 29.949 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.612 -13.085 28.807 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.710 -11.475 27.428 1.00 11.04 H new ATOM 0 HG3 GLU A 26 1.259 -12.339 27.896 1.00 11.04 H new ATOM 424 N THR A 27 3.772 -14.791 31.075 1.00 32.44 N ATOM 425 CA THR A 27 4.627 -15.364 32.106 1.00 21.42 C ATOM 426 C THR A 27 5.778 -14.424 32.451 1.00 43.23 C ATOM 427 O THR A 27 6.221 -14.362 33.598 1.00 52.43 O ATOM 428 CB THR A 27 5.204 -16.723 31.668 1.00 43.33 C ATOM 429 OG1 THR A 27 5.906 -16.580 30.428 1.00 43.23 O ATOM 430 CG2 THR A 27 4.097 -17.755 31.513 1.00 11.11 C ATOM 0 H THR A 27 3.968 -15.125 30.131 1.00 32.44 H new ATOM 0 HA THR A 27 4.003 -15.510 32.988 1.00 21.42 H new ATOM 0 HB THR A 27 5.894 -17.066 32.439 1.00 43.33 H new ATOM 0 HG1 THR A 27 6.403 -17.403 30.237 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.528 -18.707 31.203 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.582 -17.882 32.465 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.386 -17.416 30.759 1.00 11.11 H new ATOM 438 N THR A 28 6.259 -13.693 31.450 1.00 30.42 N ATOM 439 CA THR A 28 7.358 -12.757 31.646 1.00 4.41 C ATOM 440 C THR A 28 6.868 -11.456 32.272 1.00 13.12 C ATOM 441 O THR A 28 7.643 -10.719 32.881 1.00 64.00 O ATOM 442 CB THR A 28 8.069 -12.439 30.317 1.00 64.03 C ATOM 443 OG1 THR A 28 7.104 -12.113 29.311 1.00 63.55 O ATOM 444 CG2 THR A 28 8.910 -13.619 29.856 1.00 20.21 C ATOM 0 H THR A 28 5.904 -13.732 30.495 1.00 30.42 H new ATOM 0 HA THR A 28 8.065 -13.238 32.322 1.00 4.41 H new ATOM 0 HB THR A 28 8.728 -11.586 30.479 1.00 64.03 H new ATOM 0 HG1 THR A 28 7.564 -11.911 28.470 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.402 -13.370 28.916 1.00 20.21 H new ATOM 0 HG22 THR A 28 9.663 -13.846 30.611 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.269 -14.488 29.711 1.00 20.21 H new ATOM 452 N ALA A 29 5.577 -11.181 32.119 1.00 21.15 N ATOM 453 CA ALA A 29 4.983 -9.971 32.671 1.00 63.21 C ATOM 454 C ALA A 29 3.469 -10.107 32.789 1.00 61.33 C ATOM 455 O ALA A 29 2.746 -10.010 31.798 1.00 2.51 O ATOM 456 CB ALA A 29 5.341 -8.767 31.811 1.00 62.41 C ATOM 0 H ALA A 29 4.922 -11.781 31.617 1.00 21.15 H new ATOM 0 HA ALA A 29 5.387 -9.822 33.672 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.890 -7.870 32.235 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.424 -8.650 31.782 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.965 -8.918 30.799 1.00 62.41 H new ATOM 462 N THR A 30 2.993 -10.334 34.011 1.00 64.05 N ATOM 463 CA THR A 30 1.565 -10.485 34.258 1.00 52.03 C ATOM 464 C THR A 30 0.901 -9.132 34.494 1.00 44.32 C ATOM 465 O THR A 30 -0.242 -8.912 34.095 1.00 33.44 O ATOM 466 CB THR A 30 1.299 -11.393 35.474 1.00 73.01 C ATOM 467 OG1 THR A 30 1.829 -12.701 35.233 1.00 1.52 O ATOM 468 CG2 THR A 30 -0.191 -11.488 35.762 1.00 41.22 C ATOM 0 H THR A 30 3.576 -10.417 34.844 1.00 64.05 H new ATOM 0 HA THR A 30 1.137 -10.946 33.368 1.00 52.03 H new ATOM 0 HB THR A 30 1.793 -10.956 36.342 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.029 -12.802 34.279 1.00 1.52 H new ATOM 0 HG21 THR A 30 -0.354 -12.134 36.624 1.00 41.22 H new ATOM 0 HG22 THR A 30 -0.585 -10.494 35.974 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.703 -11.904 34.895 1.00 41.22 H new ATOM 476 N THR A 31 1.626 -8.228 35.144 1.00 20.21 N ATOM 477 CA THR A 31 1.107 -6.897 35.434 1.00 74.23 C ATOM 478 C THR A 31 0.613 -6.212 34.164 1.00 5.21 C ATOM 479 O THR A 31 -0.269 -5.357 34.214 1.00 44.33 O ATOM 480 CB THR A 31 2.177 -6.010 36.099 1.00 70.21 C ATOM 481 OG1 THR A 31 3.275 -5.810 35.202 1.00 65.04 O ATOM 482 CG2 THR A 31 2.676 -6.641 37.390 1.00 32.33 C ATOM 0 H THR A 31 2.575 -8.393 35.480 1.00 20.21 H new ATOM 0 HA THR A 31 0.272 -7.025 36.123 1.00 74.23 H new ATOM 0 HB THR A 31 1.724 -5.047 36.336 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.950 -5.244 35.632 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.431 -5.997 37.842 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.842 -6.763 38.081 1.00 32.33 H new ATOM 0 HG23 THR A 31 3.113 -7.616 37.173 1.00 32.33 H new ATOM 490 N ASN A 32 1.187 -6.596 33.029 1.00 33.34 N ATOM 491 CA ASN A 32 0.804 -6.018 31.745 1.00 52.15 C ATOM 492 C ASN A 32 -0.272 -6.862 31.069 1.00 70.20 C ATOM 493 O ASN A 32 -0.338 -6.935 29.842 1.00 25.25 O ATOM 494 CB ASN A 32 2.025 -5.898 30.832 1.00 21.20 C ATOM 495 CG ASN A 32 1.737 -5.082 29.587 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.291 -3.938 29.671 1.00 74.30 O ATOM 497 ND2 ASN A 32 1.992 -5.669 28.423 1.00 53.21 N ATOM 0 H ASN A 32 1.919 -7.304 32.971 1.00 33.34 H new ATOM 0 HA ASN A 32 0.398 -5.023 31.928 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.844 -5.437 31.384 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.357 -6.895 30.541 1.00 21.20 H new ATOM 0 HD21 ASN A 32 1.818 -5.169 27.551 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.361 -6.619 28.401 1.00 53.21 H new ATOM 504 N GLY A 33 -1.114 -7.497 31.877 1.00 61.22 N ATOM 505 CA GLY A 33 -2.175 -8.328 31.339 1.00 53.12 C ATOM 506 C GLY A 33 -3.225 -7.520 30.602 1.00 52.44 C ATOM 507 O GLY A 33 -3.573 -6.414 31.015 1.00 13.13 O ATOM 0 H GLY A 33 -1.081 -7.451 32.895 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.746 -9.066 30.661 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.649 -8.879 32.152 1.00 53.12 H new ATOM 511 N THR A 34 -3.733 -8.074 29.504 1.00 73.43 N ATOM 512 CA THR A 34 -4.747 -7.396 28.706 1.00 24.51 C ATOM 513 C THR A 34 -6.074 -8.145 28.753 1.00 64.20 C ATOM 514 O THR A 34 -6.120 -9.324 29.105 1.00 40.52 O ATOM 515 CB THR A 34 -4.303 -7.253 27.238 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.907 -6.939 27.177 1.00 72.33 O ATOM 517 CG2 THR A 34 -5.103 -6.168 26.534 1.00 1.21 C ATOM 0 H THR A 34 -3.458 -8.990 29.148 1.00 73.43 H new ATOM 0 HA THR A 34 -4.877 -6.403 29.137 1.00 24.51 H new ATOM 0 HB THR A 34 -4.484 -8.202 26.733 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.666 -6.695 26.259 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.772 -6.085 25.499 1.00 1.21 H new ATOM 0 HG22 THR A 34 -6.162 -6.424 26.557 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.949 -5.216 27.041 1.00 1.21 H new ATOM 525 N ILE A 35 -7.150 -7.454 28.395 1.00 53.35 N ATOM 526 CA ILE A 35 -8.478 -8.056 28.395 1.00 41.13 C ATOM 527 C ILE A 35 -9.070 -8.083 26.990 1.00 31.20 C ATOM 528 O ILE A 35 -8.799 -7.202 26.173 1.00 21.21 O ATOM 529 CB ILE A 35 -9.441 -7.299 29.330 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.409 -5.800 29.023 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.076 -7.555 30.785 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.600 -5.046 29.573 1.00 62.41 C ATOM 0 H ILE A 35 -7.129 -6.477 28.101 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.360 -9.077 28.757 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.454 -7.665 29.160 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.496 -5.372 29.436 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.367 -5.659 27.943 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.765 -7.014 31.434 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.143 -8.623 30.995 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.058 -7.212 30.970 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.511 -3.990 29.318 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.516 -5.448 29.141 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.631 -5.156 30.657 1.00 62.41 H new ATOM 544 N THR A 36 -9.881 -9.099 26.713 1.00 11.05 N ATOM 545 CA THR A 36 -10.511 -9.241 25.408 1.00 11.35 C ATOM 546 C THR A 36 -11.596 -8.190 25.205 1.00 20.04 C ATOM 547 O THR A 36 -12.222 -7.735 26.162 1.00 42.14 O ATOM 548 CB THR A 36 -11.130 -10.641 25.232 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.911 -10.981 26.383 1.00 5.11 O ATOM 550 CG2 THR A 36 -10.047 -11.689 25.021 1.00 55.34 C ATOM 0 H THR A 36 -10.117 -9.837 27.377 1.00 11.05 H new ATOM 0 HA THR A 36 -9.728 -9.101 24.662 1.00 11.35 H new ATOM 0 HB THR A 36 -11.772 -10.621 24.351 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.774 -11.346 26.096 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.508 -12.669 24.899 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.473 -11.444 24.127 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.383 -11.705 25.885 1.00 55.34 H new ATOM 558 N ASP A 37 -11.815 -7.808 23.951 1.00 12.13 N ATOM 559 CA ASP A 37 -12.828 -6.811 23.621 1.00 12.53 C ATOM 560 C ASP A 37 -14.193 -7.464 23.435 1.00 15.53 C ATOM 561 O ASP A 37 -14.377 -8.642 23.739 1.00 0.31 O ATOM 562 CB ASP A 37 -12.432 -6.054 22.353 1.00 5.44 C ATOM 563 CG ASP A 37 -12.819 -4.588 22.409 1.00 34.54 C ATOM 564 OD1 ASP A 37 -12.368 -3.821 21.533 1.00 11.40 O ATOM 565 OD2 ASP A 37 -13.572 -4.209 23.330 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.305 -8.173 23.147 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.894 -6.106 24.450 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.355 -6.137 22.205 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.909 -6.520 21.491 1.00 5.44 H new ATOM 570 N PHE A 38 -15.151 -6.688 22.935 1.00 33.31 N ATOM 571 CA PHE A 38 -16.500 -7.191 22.710 1.00 53.25 C ATOM 572 C PHE A 38 -16.493 -8.346 21.713 1.00 61.41 C ATOM 573 O PHE A 38 -17.330 -9.246 21.782 1.00 72.12 O ATOM 574 CB PHE A 38 -17.407 -6.069 22.199 1.00 35.41 C ATOM 575 CG PHE A 38 -16.855 -5.352 21.000 1.00 23.40 C ATOM 576 CD1 PHE A 38 -16.166 -4.159 21.146 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.027 -5.870 19.727 1.00 13.51 C ATOM 578 CE1 PHE A 38 -15.657 -3.497 20.044 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.520 -5.213 18.622 1.00 23.43 C ATOM 580 CZ PHE A 38 -15.835 -4.024 18.781 1.00 34.05 C ATOM 0 H PHE A 38 -15.017 -5.710 22.679 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.886 -7.558 23.661 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -18.381 -6.487 21.946 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.568 -5.349 23.001 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -16.025 -3.741 22.132 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -17.564 -6.798 19.596 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -15.121 -2.568 20.171 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -16.659 -5.629 17.635 1.00 23.43 H new ATOM 0 HZ PHE A 38 -15.440 -3.508 17.919 1.00 34.05 H new ATOM 590 N ASP A 39 -15.542 -8.313 20.786 1.00 22.51 N ATOM 591 CA ASP A 39 -15.422 -9.356 19.774 1.00 30.24 C ATOM 592 C ASP A 39 -14.423 -10.424 20.210 1.00 3.40 C ATOM 593 O ASP A 39 -13.931 -11.199 19.390 1.00 20.40 O ATOM 594 CB ASP A 39 -14.993 -8.753 18.436 1.00 73.22 C ATOM 595 CG ASP A 39 -15.591 -9.486 17.252 1.00 23.23 C ATOM 596 OD1 ASP A 39 -14.832 -9.828 16.322 1.00 51.04 O ATOM 597 OD2 ASP A 39 -16.819 -9.719 17.255 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.842 -7.574 20.714 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.399 -9.825 19.654 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -15.293 -7.706 18.400 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.906 -8.776 18.362 1.00 73.22 H new ATOM 602 N GLY A 40 -14.126 -10.456 21.505 1.00 73.03 N ATOM 603 CA GLY A 40 -13.185 -11.431 22.026 1.00 73.43 C ATOM 604 C GLY A 40 -11.791 -11.253 21.458 1.00 75.31 C ATOM 605 O GLY A 40 -11.029 -12.212 21.353 1.00 64.34 O ATOM 0 H GLY A 40 -14.520 -9.825 22.203 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.145 -11.348 23.112 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.542 -12.435 21.796 1.00 73.43 H new ATOM 609 N ASN A 41 -11.458 -10.020 21.087 1.00 12.43 N ATOM 610 CA ASN A 41 -10.147 -9.720 20.523 1.00 23.51 C ATOM 611 C ASN A 41 -9.348 -8.816 21.456 1.00 23.24 C ATOM 612 O ASN A 41 -9.879 -7.853 22.011 1.00 21.02 O ATOM 613 CB ASN A 41 -10.297 -9.054 19.154 1.00 52.24 C ATOM 614 CG ASN A 41 -10.572 -7.567 19.263 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.654 -6.749 19.206 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.842 -7.209 19.418 1.00 22.41 N ATOM 0 H ASN A 41 -12.078 -9.214 21.167 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.607 -10.659 20.405 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -9.387 -9.211 18.575 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -11.110 -9.532 18.607 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -12.088 -6.222 19.495 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -12.571 -7.921 19.460 1.00 22.41 H new ATOM 623 N PHE A 42 -8.069 -9.131 21.626 1.00 71.21 N ATOM 624 CA PHE A 42 -7.195 -8.347 22.492 1.00 52.03 C ATOM 625 C PHE A 42 -5.902 -7.978 21.771 1.00 31.22 C ATOM 626 O PHE A 42 -5.600 -8.510 20.702 1.00 60.33 O ATOM 627 CB PHE A 42 -6.876 -9.127 23.769 1.00 2.54 C ATOM 628 CG PHE A 42 -6.309 -10.493 23.512 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.942 -10.712 23.567 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.143 -11.559 23.213 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.417 -11.968 23.331 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.624 -12.817 22.977 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.258 -13.023 23.035 1.00 22.53 C ATOM 0 H PHE A 42 -7.613 -9.925 21.175 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.717 -7.427 22.756 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -6.167 -8.555 24.367 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.786 -9.226 24.361 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.279 -9.891 23.797 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.211 -11.404 23.164 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.349 -12.125 23.378 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.285 -13.640 22.747 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.850 -14.006 22.849 1.00 22.53 H new ATOM 643 N THR A 43 -5.142 -7.062 22.363 1.00 70.14 N ATOM 644 CA THR A 43 -3.882 -6.621 21.778 1.00 1.25 C ATOM 645 C THR A 43 -2.724 -6.824 22.748 1.00 72.34 C ATOM 646 O THR A 43 -2.693 -6.229 23.827 1.00 32.41 O ATOM 647 CB THR A 43 -3.942 -5.136 21.371 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.636 -4.672 21.014 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.495 -4.286 22.507 1.00 0.43 C ATOM 0 H THR A 43 -5.377 -6.611 23.247 1.00 70.14 H new ATOM 0 HA THR A 43 -3.717 -7.228 20.888 1.00 1.25 H new ATOM 0 HB THR A 43 -4.606 -5.044 20.512 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.684 -3.728 20.755 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.528 -3.242 22.197 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.501 -4.623 22.757 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.852 -4.385 23.382 1.00 0.43 H new ATOM 657 N LEU A 44 -1.773 -7.665 22.359 1.00 30.33 N ATOM 658 CA LEU A 44 -0.611 -7.946 23.194 1.00 30.51 C ATOM 659 C LEU A 44 0.640 -8.129 22.342 1.00 15.23 C ATOM 660 O LEU A 44 0.672 -8.965 21.440 1.00 43.42 O ATOM 661 CB LEU A 44 -0.856 -9.199 24.038 1.00 2.24 C ATOM 662 CG LEU A 44 -0.573 -9.064 25.535 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.825 -10.386 26.246 1.00 14.32 C ATOM 664 CD2 LEU A 44 0.856 -8.596 25.768 1.00 72.23 C ATOM 0 H LEU A 44 -1.784 -8.165 21.470 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.455 -7.094 23.856 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.895 -9.501 23.911 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.239 -10.006 23.643 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.251 -8.317 25.948 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -0.619 -10.272 27.310 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.865 -10.681 26.108 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -0.172 -11.153 25.830 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.039 -8.506 26.839 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.550 -9.320 25.341 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.004 -7.627 25.292 1.00 72.23 H new ATOM 676 N SER A 45 1.672 -7.344 22.637 1.00 73.42 N ATOM 677 CA SER A 45 2.925 -7.419 21.897 1.00 30.11 C ATOM 678 C SER A 45 4.013 -8.082 22.737 1.00 54.45 C ATOM 679 O SER A 45 4.519 -7.495 23.694 1.00 53.14 O ATOM 680 CB SER A 45 3.376 -6.020 21.472 1.00 12.24 C ATOM 681 OG SER A 45 4.297 -6.085 20.397 1.00 52.35 O ATOM 0 H SER A 45 1.664 -6.649 23.384 1.00 73.42 H new ATOM 0 HA SER A 45 2.756 -8.025 21.007 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.509 -5.429 21.177 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.836 -5.510 22.319 1.00 12.24 H new ATOM 0 HG SER A 45 4.568 -5.178 20.143 1.00 52.35 H new ATOM 687 N VAL A 46 4.369 -9.310 22.372 1.00 11.02 N ATOM 688 CA VAL A 46 5.396 -10.054 23.090 1.00 13.10 C ATOM 689 C VAL A 46 6.292 -10.823 22.126 1.00 41.33 C ATOM 690 O VAL A 46 5.885 -11.200 21.027 1.00 34.03 O ATOM 691 CB VAL A 46 4.775 -11.043 24.095 1.00 71.43 C ATOM 692 CG1 VAL A 46 3.851 -10.314 25.059 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.030 -12.148 23.362 1.00 21.52 C ATOM 0 H VAL A 46 3.961 -9.810 21.583 1.00 11.02 H new ATOM 0 HA VAL A 46 5.994 -9.323 23.634 1.00 13.10 H new ATOM 0 HB VAL A 46 5.578 -11.499 24.674 1.00 71.43 H new ATOM 0 HG11 VAL A 46 3.421 -11.028 25.761 1.00 64.43 H new ATOM 0 HG12 VAL A 46 4.418 -9.562 25.607 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.051 -9.829 24.500 1.00 64.43 H new ATOM 0 HG21 VAL A 46 3.597 -12.838 24.087 1.00 21.52 H new ATOM 0 HG22 VAL A 46 3.235 -11.712 22.757 1.00 21.52 H new ATOM 0 HG23 VAL A 46 4.723 -12.687 22.716 1.00 21.52 H new ATOM 703 N PRO A 47 7.544 -11.061 22.544 1.00 12.13 N ATOM 704 CA PRO A 47 8.525 -11.788 21.733 1.00 2.21 C ATOM 705 C PRO A 47 8.183 -13.268 21.598 1.00 41.24 C ATOM 706 O PRO A 47 7.283 -13.771 22.272 1.00 33.23 O ATOM 707 CB PRO A 47 9.831 -11.610 22.511 1.00 32.44 C ATOM 708 CG PRO A 47 9.405 -11.381 23.920 1.00 60.01 C ATOM 709 CD PRO A 47 8.098 -10.640 23.842 1.00 52.01 C ATOM 0 HA PRO A 47 8.567 -11.412 20.711 1.00 2.21 H new ATOM 0 HB2 PRO A 47 10.465 -12.493 22.428 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.407 -10.767 22.130 1.00 32.44 H new ATOM 0 HG2 PRO A 47 9.287 -12.326 24.451 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.151 -10.801 24.464 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.436 -10.905 24.666 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.245 -9.561 23.885 1.00 52.01 H new ATOM 717 N VAL A 48 8.907 -13.962 20.725 1.00 62.33 N ATOM 718 CA VAL A 48 8.681 -15.384 20.504 1.00 40.41 C ATOM 719 C VAL A 48 9.591 -16.230 21.389 1.00 23.10 C ATOM 720 O VAL A 48 10.312 -17.100 20.904 1.00 71.24 O ATOM 721 CB VAL A 48 8.917 -15.768 19.030 1.00 11.01 C ATOM 722 CG1 VAL A 48 7.845 -15.156 18.141 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.305 -15.333 18.583 1.00 30.33 C ATOM 0 H VAL A 48 9.655 -13.561 20.159 1.00 62.33 H new ATOM 0 HA VAL A 48 7.641 -15.582 20.762 1.00 40.41 H new ATOM 0 HB VAL A 48 8.854 -16.852 18.940 1.00 11.01 H new ATOM 0 HG11 VAL A 48 8.028 -15.438 17.104 1.00 61.40 H new ATOM 0 HG12 VAL A 48 6.865 -15.521 18.449 1.00 61.40 H new ATOM 0 HG13 VAL A 48 7.873 -14.070 18.232 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.455 -15.612 17.540 1.00 30.33 H new ATOM 0 HG22 VAL A 48 10.399 -14.252 18.687 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.057 -15.823 19.202 1.00 30.33 H new ATOM 733 N ASN A 49 9.550 -15.967 22.691 1.00 53.04 N ATOM 734 CA ASN A 49 10.370 -16.703 23.646 1.00 3.42 C ATOM 735 C ASN A 49 9.739 -16.685 25.034 1.00 15.14 C ATOM 736 O ASN A 49 10.438 -16.636 26.045 1.00 41.55 O ATOM 737 CB ASN A 49 11.778 -16.108 23.706 1.00 63.41 C ATOM 738 CG ASN A 49 12.795 -17.083 24.266 1.00 20.23 C ATOM 739 OD1 ASN A 49 13.271 -17.974 23.561 1.00 0.21 O ATOM 740 ND2 ASN A 49 13.134 -16.919 25.539 1.00 2.13 N ATOM 0 H ASN A 49 8.958 -15.250 23.109 1.00 53.04 H new ATOM 0 HA ASN A 49 10.434 -17.738 23.309 1.00 3.42 H new ATOM 0 HB2 ASN A 49 12.084 -15.804 22.705 1.00 63.41 H new ATOM 0 HB3 ASN A 49 11.763 -15.209 24.322 1.00 63.41 H new ATOM 0 HD21 ASN A 49 13.814 -17.545 25.970 1.00 2.13 H new ATOM 0 HD22 ASN A 49 12.714 -16.167 26.086 1.00 2.13 H new ATOM 747 N SER A 50 8.410 -16.727 25.075 1.00 44.25 N ATOM 748 CA SER A 50 7.684 -16.712 26.339 1.00 32.14 C ATOM 749 C SER A 50 6.308 -17.353 26.182 1.00 64.13 C ATOM 750 O SER A 50 5.814 -17.525 25.067 1.00 43.22 O ATOM 751 CB SER A 50 7.535 -15.277 26.848 1.00 24.20 C ATOM 752 OG SER A 50 7.169 -15.258 28.218 1.00 2.44 O ATOM 0 H SER A 50 7.815 -16.772 24.247 1.00 44.25 H new ATOM 0 HA SER A 50 8.255 -17.291 27.065 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.474 -14.740 26.711 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.781 -14.755 26.259 1.00 24.20 H new ATOM 0 HG SER A 50 6.636 -14.457 28.403 1.00 2.44 H new ATOM 758 N THR A 51 5.695 -17.705 27.307 1.00 5.13 N ATOM 759 CA THR A 51 4.378 -18.329 27.297 1.00 65.34 C ATOM 760 C THR A 51 3.283 -17.305 27.578 1.00 50.11 C ATOM 761 O THR A 51 3.556 -16.205 28.058 1.00 60.11 O ATOM 762 CB THR A 51 4.284 -19.463 28.336 1.00 55.53 C ATOM 763 OG1 THR A 51 5.590 -19.979 28.616 1.00 72.33 O ATOM 764 CG2 THR A 51 3.387 -20.584 27.834 1.00 1.44 C ATOM 0 H THR A 51 6.090 -17.569 28.238 1.00 5.13 H new ATOM 0 HA THR A 51 4.234 -18.748 26.301 1.00 65.34 H new ATOM 0 HB THR A 51 3.851 -19.055 29.249 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.523 -20.698 29.278 1.00 72.33 H new ATOM 0 HG21 THR A 51 3.336 -21.373 28.584 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.386 -20.194 27.649 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.795 -20.990 26.908 1.00 1.44 H new ATOM 772 N LEU A 52 2.043 -17.675 27.275 1.00 33.00 N ATOM 773 CA LEU A 52 0.905 -16.789 27.497 1.00 60.43 C ATOM 774 C LEU A 52 -0.211 -17.512 28.243 1.00 61.44 C ATOM 775 O LEU A 52 -0.780 -18.483 27.742 1.00 62.04 O ATOM 776 CB LEU A 52 0.381 -16.256 26.162 1.00 25.32 C ATOM 777 CG LEU A 52 1.372 -15.445 25.327 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.720 -14.967 24.039 1.00 0.43 C ATOM 779 CD2 LEU A 52 1.902 -14.264 26.129 1.00 44.14 C ATOM 0 H LEU A 52 1.800 -18.582 26.875 1.00 33.00 H new ATOM 0 HA LEU A 52 1.241 -15.952 28.109 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.040 -17.102 25.565 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.492 -15.633 26.360 1.00 25.32 H new ATOM 0 HG LEU A 52 2.212 -16.089 25.067 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.441 -14.392 23.458 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.389 -15.828 23.457 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -0.138 -14.339 24.277 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.606 -13.697 25.520 1.00 44.14 H new ATOM 0 HD22 LEU A 52 1.072 -13.619 26.419 1.00 44.14 H new ATOM 0 HD23 LEU A 52 2.408 -14.629 27.023 1.00 44.14 H new ATOM 791 N LYS A 53 -0.524 -17.031 29.441 1.00 74.15 N ATOM 792 CA LYS A 53 -1.574 -17.628 30.256 1.00 74.21 C ATOM 793 C LYS A 53 -2.852 -16.796 30.191 1.00 31.10 C ATOM 794 O LYS A 53 -2.843 -15.604 30.501 1.00 13.00 O ATOM 795 CB LYS A 53 -1.111 -17.758 31.709 1.00 14.13 C ATOM 796 CG LYS A 53 -2.148 -18.386 32.625 1.00 13.04 C ATOM 797 CD LYS A 53 -1.542 -18.788 33.958 1.00 71.31 C ATOM 798 CE LYS A 53 -2.559 -18.688 35.085 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.141 -19.471 36.281 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.064 -16.228 29.869 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.786 -18.621 29.859 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.201 -18.358 31.739 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.854 -16.769 32.089 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.962 -17.681 32.792 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.579 -19.262 32.141 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.166 -19.809 33.895 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.688 -18.147 34.179 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.691 -17.642 35.363 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.526 -19.049 34.735 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -2.860 -19.377 37.026 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.040 -20.473 36.022 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.231 -19.110 36.631 1.00 24.22 H new ATOM 813 N ILE A 54 -3.946 -17.432 29.789 1.00 64.31 N ATOM 814 CA ILE A 54 -5.231 -16.751 29.687 1.00 34.23 C ATOM 815 C ILE A 54 -6.294 -17.453 30.525 1.00 24.45 C ATOM 816 O ILE A 54 -6.563 -18.640 30.340 1.00 52.53 O ATOM 817 CB ILE A 54 -5.713 -16.674 28.225 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.576 -16.211 27.314 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.907 -15.738 28.110 1.00 55.33 C ATOM 820 CD1 ILE A 54 -3.837 -17.348 26.644 1.00 73.40 C ATOM 0 H ILE A 54 -3.969 -18.418 29.528 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.083 -15.740 30.066 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.024 -17.669 27.907 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.981 -15.550 26.548 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.869 -15.624 27.899 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.236 -15.694 27.072 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.721 -16.108 28.733 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.621 -14.740 28.442 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.044 -16.945 26.013 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.402 -17.997 27.404 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -4.532 -17.922 26.031 1.00 73.40 H new ATOM 832 N THR A 55 -6.897 -16.710 31.448 1.00 53.10 N ATOM 833 CA THR A 55 -7.931 -17.260 32.315 1.00 62.11 C ATOM 834 C THR A 55 -9.264 -16.551 32.101 1.00 50.41 C ATOM 835 O THR A 55 -9.303 -15.346 31.850 1.00 11.34 O ATOM 836 CB THR A 55 -7.538 -17.150 33.800 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.368 -15.774 34.160 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.252 -17.914 34.077 1.00 13.32 C ATOM 0 H THR A 55 -6.687 -15.726 31.614 1.00 53.10 H new ATOM 0 HA THR A 55 -8.035 -18.312 32.051 1.00 62.11 H new ATOM 0 HB THR A 55 -8.337 -17.586 34.399 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.120 -15.712 35.106 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.994 -17.822 35.132 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.393 -18.966 33.828 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.446 -17.502 33.469 1.00 13.32 H new ATOM 846 N TYR A 56 -10.353 -17.305 32.201 1.00 11.42 N ATOM 847 CA TYR A 56 -11.687 -16.748 32.017 1.00 11.02 C ATOM 848 C TYR A 56 -12.583 -17.071 33.208 1.00 62.40 C ATOM 849 O TYR A 56 -12.360 -18.053 33.917 1.00 41.44 O ATOM 850 CB TYR A 56 -12.316 -17.289 30.730 1.00 44.12 C ATOM 851 CG TYR A 56 -11.419 -17.162 29.520 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.369 -18.047 29.313 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.624 -16.158 28.581 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.547 -17.935 28.207 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.809 -16.038 27.472 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.772 -16.929 27.290 1.00 31.42 C ATOM 857 OH TYR A 56 -8.957 -16.815 26.188 1.00 41.25 O ATOM 0 H TYR A 56 -10.338 -18.304 32.408 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.592 -15.665 31.941 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.572 -18.339 30.874 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.248 -16.757 30.539 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.191 -18.836 30.028 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.435 -15.459 28.721 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.734 -18.631 28.062 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -10.983 -15.252 26.752 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.438 -17.639 26.078 1.00 41.25 H new ATOM 867 N ILE A 57 -13.597 -16.239 33.421 1.00 62.21 N ATOM 868 CA ILE A 57 -14.527 -16.437 34.526 1.00 35.22 C ATOM 869 C ILE A 57 -15.735 -17.258 34.087 1.00 41.02 C ATOM 870 O ILE A 57 -16.596 -16.775 33.353 1.00 74.23 O ATOM 871 CB ILE A 57 -15.016 -15.093 35.098 1.00 72.44 C ATOM 872 CG1 ILE A 57 -16.079 -15.328 36.172 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.566 -14.212 33.985 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.560 -14.056 36.834 1.00 34.03 C ATOM 0 H ILE A 57 -13.795 -15.422 32.843 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.985 -16.978 35.302 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.170 -14.581 35.556 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.931 -15.839 35.723 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.673 -15.994 36.934 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.908 -13.266 34.405 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.783 -14.022 33.251 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.402 -14.717 33.501 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.312 -14.298 37.584 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.719 -13.554 37.312 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.996 -13.397 36.083 1.00 34.03 H new ATOM 886 N GLY A 58 -15.793 -18.506 34.544 1.00 41.22 N ATOM 887 CA GLY A 58 -16.899 -19.376 34.190 1.00 34.45 C ATOM 888 C GLY A 58 -16.439 -20.655 33.519 1.00 45.03 C ATOM 889 O GLY A 58 -16.833 -21.751 33.920 1.00 23.42 O ATOM 0 H GLY A 58 -15.093 -18.930 35.153 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.464 -19.624 35.088 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.577 -18.843 33.523 1.00 34.45 H new ATOM 893 N TYR A 59 -15.607 -20.517 32.493 1.00 61.23 N ATOM 894 CA TYR A 59 -15.097 -21.671 31.762 1.00 30.13 C ATOM 895 C TYR A 59 -13.638 -21.939 32.118 1.00 1.25 C ATOM 896 O TYR A 59 -12.990 -21.133 32.785 1.00 60.34 O ATOM 897 CB TYR A 59 -15.234 -21.449 30.256 1.00 42.25 C ATOM 898 CG TYR A 59 -16.662 -21.499 29.763 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.076 -22.479 28.869 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.599 -20.567 30.191 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.379 -22.529 28.415 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.905 -20.610 29.745 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.291 -21.593 28.857 1.00 4.31 C ATOM 904 OH TYR A 59 -20.591 -21.638 28.409 1.00 24.41 O ATOM 0 H TYR A 59 -15.271 -19.618 32.149 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.688 -22.541 32.049 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.804 -20.481 30.000 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.651 -22.206 29.731 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.365 -23.215 28.523 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.301 -19.795 30.885 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.682 -23.296 27.718 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.621 -19.878 30.089 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.993 -22.497 28.656 1.00 24.41 H new ATOM 914 N LYS A 60 -13.125 -23.079 31.666 1.00 52.23 N ATOM 915 CA LYS A 60 -11.742 -23.456 31.933 1.00 72.32 C ATOM 916 C LYS A 60 -10.775 -22.526 31.206 1.00 51.35 C ATOM 917 O LYS A 60 -11.034 -22.068 30.093 1.00 73.04 O ATOM 918 CB LYS A 60 -11.494 -24.904 31.503 1.00 13.13 C ATOM 919 CG LYS A 60 -11.583 -25.901 32.645 1.00 75.30 C ATOM 920 CD LYS A 60 -10.627 -27.065 32.444 1.00 4.44 C ATOM 921 CE LYS A 60 -10.305 -27.755 33.760 1.00 2.10 C ATOM 922 NZ LYS A 60 -9.517 -26.876 34.669 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.647 -23.758 31.113 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.568 -23.367 33.005 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.220 -25.176 30.737 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.507 -24.975 31.046 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.355 -25.400 33.586 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.603 -26.276 32.723 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.068 -27.784 31.753 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -9.706 -26.706 31.985 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.232 -28.049 34.252 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -9.745 -28.669 33.563 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -8.981 -27.462 35.340 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -8.857 -26.300 34.109 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -10.162 -26.252 35.194 1.00 3.41 H new ATOM 936 N PRO A 61 -9.633 -22.241 31.849 1.00 20.42 N ATOM 937 CA PRO A 61 -8.604 -21.364 31.281 1.00 52.34 C ATOM 938 C PRO A 61 -7.891 -22.002 30.094 1.00 43.11 C ATOM 939 O PRO A 61 -8.157 -23.150 29.741 1.00 71.32 O ATOM 940 CB PRO A 61 -7.629 -21.163 32.444 1.00 12.55 C ATOM 941 CG PRO A 61 -7.810 -22.366 33.303 1.00 64.21 C ATOM 942 CD PRO A 61 -9.258 -22.751 33.179 1.00 62.33 C ATOM 0 HA PRO A 61 -9.026 -20.436 30.895 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.602 -21.081 32.089 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.851 -20.248 32.993 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.161 -23.179 32.977 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.552 -22.148 34.339 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.394 -23.830 33.249 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.862 -22.302 33.967 1.00 62.33 H new ATOM 950 N VAL A 62 -6.984 -21.248 29.480 1.00 41.12 N ATOM 951 CA VAL A 62 -6.231 -21.741 28.333 1.00 22.22 C ATOM 952 C VAL A 62 -4.842 -21.114 28.276 1.00 13.54 C ATOM 953 O VAL A 62 -4.657 -19.952 28.641 1.00 74.11 O ATOM 954 CB VAL A 62 -6.967 -21.448 27.011 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.386 -21.996 27.058 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.974 -19.955 26.723 1.00 33.21 C ATOM 0 H VAL A 62 -6.753 -20.294 29.758 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.135 -22.820 28.458 1.00 22.22 H new ATOM 0 HB VAL A 62 -6.435 -21.948 26.201 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.891 -21.780 26.116 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.355 -23.074 27.214 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -8.930 -21.527 27.877 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.498 -19.768 25.786 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -7.481 -19.431 27.533 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -5.948 -19.595 26.643 1.00 33.21 H new ATOM 966 N THR A 63 -3.866 -21.891 27.816 1.00 11.33 N ATOM 967 CA THR A 63 -2.493 -21.414 27.713 1.00 11.40 C ATOM 968 C THR A 63 -1.924 -21.676 26.324 1.00 54.21 C ATOM 969 O THR A 63 -2.138 -22.740 25.744 1.00 35.44 O ATOM 970 CB THR A 63 -1.585 -22.082 28.762 1.00 13.53 C ATOM 971 OG1 THR A 63 -1.898 -23.475 28.864 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.750 -21.420 30.121 1.00 60.11 C ATOM 0 H THR A 63 -4.002 -22.854 27.509 1.00 11.33 H new ATOM 0 HA THR A 63 -2.517 -20.340 27.897 1.00 11.40 H new ATOM 0 HB THR A 63 -0.550 -21.965 28.442 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.315 -23.893 29.532 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.099 -21.909 30.845 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.483 -20.366 30.047 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.786 -21.510 30.446 1.00 60.11 H new ATOM 980 N VAL A 64 -1.196 -20.697 25.793 1.00 54.51 N ATOM 981 CA VAL A 64 -0.593 -20.823 24.471 1.00 53.21 C ATOM 982 C VAL A 64 0.691 -20.007 24.373 1.00 13.32 C ATOM 983 O VAL A 64 0.984 -19.183 25.239 1.00 10.04 O ATOM 984 CB VAL A 64 -1.564 -20.367 23.366 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.732 -21.335 23.247 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.059 -18.954 23.641 1.00 14.45 C ATOM 0 H VAL A 64 -1.010 -19.809 26.258 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.361 -21.878 24.328 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.029 -20.362 22.417 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.407 -20.996 22.461 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.358 -22.328 23.000 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.269 -21.375 24.195 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -2.744 -18.648 22.850 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -2.577 -18.930 24.600 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.210 -18.270 23.670 1.00 14.45 H new ATOM 996 N LYS A 65 1.454 -20.242 23.311 1.00 23.50 N ATOM 997 CA LYS A 65 2.708 -19.528 23.096 1.00 33.44 C ATOM 998 C LYS A 65 2.475 -18.248 22.301 1.00 51.13 C ATOM 999 O LYS A 65 1.495 -18.131 21.565 1.00 14.12 O ATOM 1000 CB LYS A 65 3.708 -20.422 22.362 1.00 53.40 C ATOM 1001 CG LYS A 65 3.287 -20.770 20.945 1.00 44.43 C ATOM 1002 CD LYS A 65 4.436 -21.374 20.154 1.00 43.14 C ATOM 1003 CE LYS A 65 5.495 -20.332 19.826 1.00 1.42 C ATOM 1004 NZ LYS A 65 6.576 -20.891 18.967 1.00 70.32 N1+ ATOM 0 H LYS A 65 1.226 -20.922 22.585 1.00 23.50 H new ATOM 0 HA LYS A 65 3.117 -19.260 24.070 1.00 33.44 H new ATOM 0 HB2 LYS A 65 4.676 -19.922 22.332 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.843 -21.343 22.929 1.00 53.40 H new ATOM 0 HG2 LYS A 65 2.455 -21.473 20.974 1.00 44.43 H new ATOM 0 HG3 LYS A 65 2.929 -19.873 20.440 1.00 44.43 H new ATOM 0 HD2 LYS A 65 4.887 -22.185 20.726 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.054 -21.810 19.231 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.029 -19.487 19.319 1.00 1.42 H new ATOM 0 HE3 LYS A 65 5.927 -19.950 20.751 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 7.278 -20.150 18.766 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 7.038 -21.681 19.461 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 6.168 -21.233 18.074 1.00 70.32 H new ATOM 1018 N ALA A 66 3.383 -17.289 22.454 1.00 25.33 N ATOM 1019 CA ALA A 66 3.277 -16.018 21.747 1.00 72.41 C ATOM 1020 C ALA A 66 3.078 -16.238 20.250 1.00 62.14 C ATOM 1021 O ALA A 66 3.830 -16.977 19.617 1.00 13.22 O ATOM 1022 CB ALA A 66 4.516 -15.171 21.998 1.00 71.52 C ATOM 0 H ALA A 66 4.199 -17.368 23.061 1.00 25.33 H new ATOM 0 HA ALA A 66 2.404 -15.488 22.129 1.00 72.41 H new ATOM 0 HB1 ALA A 66 4.424 -14.225 21.465 1.00 71.52 H new ATOM 0 HB2 ALA A 66 4.614 -14.977 23.066 1.00 71.52 H new ATOM 0 HB3 ALA A 66 5.399 -15.703 21.643 1.00 71.52 H new ATOM 1028 N ALA A 67 2.061 -15.590 19.693 1.00 60.43 N ATOM 1029 CA ALA A 67 1.763 -15.713 18.271 1.00 33.34 C ATOM 1030 C ALA A 67 0.882 -14.565 17.793 1.00 63.13 C ATOM 1031 O ALA A 67 -0.007 -14.111 18.512 1.00 55.04 O ATOM 1032 CB ALA A 67 1.094 -17.049 17.985 1.00 32.31 C ATOM 0 H ALA A 67 1.429 -14.974 20.205 1.00 60.43 H new ATOM 0 HA ALA A 67 2.704 -15.666 17.723 1.00 33.34 H new ATOM 0 HB1 ALA A 67 0.877 -17.127 16.920 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.760 -17.860 18.280 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.165 -17.119 18.550 1.00 32.31 H new ATOM 1038 N ALA A 68 1.135 -14.099 16.574 1.00 60.23 N ATOM 1039 CA ALA A 68 0.363 -13.004 16.000 1.00 73.13 C ATOM 1040 C ALA A 68 -1.132 -13.297 16.059 1.00 2.42 C ATOM 1041 O ALA A 68 -1.921 -12.461 16.500 1.00 53.41 O ATOM 1042 CB ALA A 68 0.797 -12.749 14.564 1.00 13.31 C ATOM 0 H ALA A 68 1.868 -14.463 15.965 1.00 60.23 H new ATOM 0 HA ALA A 68 0.554 -12.108 16.590 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.212 -11.929 14.147 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.855 -12.487 14.545 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.635 -13.648 13.970 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.516 -14.487 15.609 1.00 72.31 N ATOM 1049 CA ILE A 69 -2.916 -14.889 15.612 1.00 43.13 C ATOM 1050 C ILE A 69 -3.126 -16.151 16.444 1.00 23.51 C ATOM 1051 O ILE A 69 -2.558 -17.202 16.149 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.434 -15.139 14.183 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.192 -13.907 13.307 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -4.912 -15.496 14.209 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.466 -14.147 11.839 1.00 23.11 C ATOM 0 H ILE A 69 -0.876 -15.189 15.238 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.478 -14.067 16.055 1.00 43.13 H new ATOM 0 HB ILE A 69 -2.886 -15.979 13.756 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -3.825 -13.092 13.658 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.158 -13.583 13.427 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.262 -15.669 13.192 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.058 -16.399 14.802 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.477 -14.676 14.652 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.274 -13.232 11.279 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -2.815 -14.941 11.472 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -4.507 -14.442 11.707 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.946 -16.038 17.483 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.233 -17.170 18.357 1.00 74.42 C ATOM 1069 C VAL A 70 -5.735 -17.352 18.545 1.00 52.51 C ATOM 1070 O VAL A 70 -6.430 -16.440 18.989 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.571 -16.996 19.737 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.001 -15.684 20.373 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.908 -18.172 20.640 1.00 74.33 C ATOM 0 H VAL A 70 -4.424 -15.174 17.741 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.820 -18.056 17.874 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.490 -16.969 19.602 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.524 -15.578 21.347 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.704 -14.854 19.731 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.084 -15.678 20.497 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.432 -18.033 21.611 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.988 -18.233 20.771 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.545 -19.094 20.187 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.230 -18.537 18.202 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.650 -18.840 18.333 1.00 11.52 C ATOM 1085 C ASN A 71 -7.870 -20.019 19.276 1.00 55.40 C ATOM 1086 O ASN A 71 -7.483 -21.148 18.977 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.256 -19.149 16.962 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.366 -17.915 16.087 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -7.874 -17.894 14.960 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.014 -16.879 16.606 1.00 50.40 N ATOM 0 H ASN A 71 -5.668 -19.303 17.831 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.145 -17.964 18.753 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.643 -19.896 16.457 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.246 -19.586 17.095 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.120 -16.021 16.065 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.406 -16.941 17.546 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.496 -19.748 20.418 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.770 -20.786 21.404 1.00 24.20 C ATOM 1099 C VAL A 72 -10.243 -20.795 21.797 1.00 31.43 C ATOM 1100 O VAL A 72 -10.905 -19.756 21.794 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.914 -20.596 22.671 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.054 -21.796 23.595 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.456 -20.367 22.299 1.00 24.11 C ATOM 0 H VAL A 72 -8.822 -18.818 20.682 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.514 -21.739 20.940 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.273 -19.715 23.202 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.442 -21.644 24.484 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.098 -21.910 23.888 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.722 -22.695 23.076 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.866 -20.235 23.206 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.082 -21.228 21.745 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.375 -19.474 21.679 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.752 -21.975 22.134 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.148 -22.121 22.531 1.00 72.02 C ATOM 1115 C LEU A 73 -12.266 -22.349 24.035 1.00 3.23 C ATOM 1116 O LEU A 73 -11.414 -22.995 24.645 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.794 -23.283 21.775 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.752 -23.198 20.250 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.834 -24.586 19.634 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -13.879 -22.316 19.733 1.00 64.32 C ATOM 0 H LEU A 73 -10.219 -22.845 22.140 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.670 -21.197 22.281 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.303 -24.207 22.081 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.836 -23.358 22.086 1.00 3.23 H new ATOM 0 HG LEU A 73 -11.803 -22.749 19.958 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.803 -24.504 18.548 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -11.992 -25.187 19.977 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -13.767 -25.063 19.935 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -13.833 -22.267 18.645 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.838 -22.735 20.037 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -13.774 -21.313 20.146 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.329 -21.815 24.627 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.561 -21.962 26.060 1.00 22.25 C ATOM 1134 C LEU A 74 -14.332 -23.245 26.358 1.00 10.24 C ATOM 1135 O LEU A 74 -15.429 -23.453 25.841 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.329 -20.754 26.598 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.629 -19.948 27.694 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.261 -19.482 27.220 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.485 -18.761 28.111 1.00 34.41 C ATOM 0 H LEU A 74 -14.044 -21.277 24.137 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.592 -22.019 26.557 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.545 -20.085 25.765 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.287 -21.101 26.985 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.490 -20.592 28.562 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.777 -18.910 28.012 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.648 -20.348 26.971 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.377 -18.853 26.337 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.972 -18.199 28.891 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.655 -18.115 27.250 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.442 -19.118 28.491 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.752 -24.097 27.196 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.386 -25.358 27.564 1.00 73.42 C ATOM 1153 C GLU A 75 -15.018 -25.265 28.950 1.00 44.11 C ATOM 1154 O GLU A 75 -14.396 -24.778 29.895 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.365 -26.496 27.531 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.969 -27.863 27.808 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.955 -28.985 27.685 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.777 -28.758 28.030 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -13.341 -30.087 27.244 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.844 -23.938 27.633 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.173 -25.565 26.839 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.883 -26.512 26.554 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -12.586 -26.296 28.267 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.395 -27.871 28.811 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -14.789 -28.041 27.112 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.255 -25.735 29.063 1.00 14.42 N ATOM 1167 CA GLU A 76 -16.970 -25.704 30.333 1.00 55.40 C ATOM 1168 C GLU A 76 -16.133 -26.329 31.445 1.00 52.44 C ATOM 1169 O GLU A 76 -15.468 -27.344 31.240 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.306 -26.441 30.211 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.217 -27.734 29.417 1.00 75.12 C ATOM 1172 CD GLU A 76 -19.187 -28.790 29.909 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.100 -28.439 30.687 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -19.032 -29.966 29.520 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.783 -26.142 28.291 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.160 -24.661 30.587 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.682 -26.663 31.210 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.033 -25.782 29.736 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.416 -27.525 28.366 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -17.201 -28.124 29.477 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.170 -25.714 32.622 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.415 -26.209 33.768 1.00 14.13 C ATOM 1183 C ASP A 77 -16.288 -27.091 34.654 1.00 2.45 C ATOM 1184 O ASP A 77 -17.439 -26.758 34.940 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.857 -25.040 34.581 1.00 0.41 C ATOM 1186 CG ASP A 77 -15.899 -24.416 35.488 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -17.010 -24.123 35.000 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -15.602 -24.219 36.686 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.715 -24.872 32.808 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.586 -26.810 33.394 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.017 -25.388 35.183 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -14.470 -24.281 33.902 1.00 0.41 H new