USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 SER OG : rot 160:sc= -1.2! USER MOD Single : A 15 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.26) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0832 K(o=-0.083,f=-0.71) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.0256 USER MOD Single : A 36 SER OG : rot 21:sc= 0.142 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.84!) USER MOD Single : A 43 ASN : amide:sc= -0.857 K(o=-0.86,f=-0.052) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.094) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -176:sc= 0 (180deg=-0.0119) USER MOD Single : A 63 ASN : amide:sc= -0.765 K(o=-0.77,f=-1.6) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -117:sc= -0.06 (180deg=-1.17) USER MOD Single : A 72 ASN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.57 K(o=-1.6,f=-7.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -131:sc= -0.4 (180deg=-2.07!) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0775) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 112:sc= 1.19 USER MOD Single : A 90 SER OG : rot -85:sc= 0.687 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 11.149 -5.329 8.258 1.00 4.45 N ATOM 195 CA ARG A 13 9.845 -4.832 8.681 1.00 71.13 C ATOM 196 C ARG A 13 9.282 -3.848 7.660 1.00 55.12 C ATOM 197 O ARG A 13 8.066 -3.697 7.532 1.00 22.31 O ATOM 198 CB ARG A 13 9.950 -4.159 10.050 1.00 20.31 C ATOM 199 CG ARG A 13 8.661 -3.493 10.502 1.00 1.12 C ATOM 200 CD ARG A 13 8.650 -3.263 12.005 1.00 24.52 C ATOM 201 NE ARG A 13 9.862 -2.590 12.465 1.00 52.13 N ATOM 202 CZ ARG A 13 10.101 -1.297 12.276 1.00 0.30 C ATOM 203 NH1 ARG A 13 9.216 -0.541 11.642 1.00 71.12 N ATOM 204 NH2 ARG A 13 11.228 -0.758 12.724 1.00 12.31 N ATOM 0 HA ARG A 13 9.167 -5.682 8.754 1.00 71.13 H new ATOM 0 HB2 ARG A 13 10.243 -4.904 10.790 1.00 20.31 H new ATOM 0 HB3 ARG A 13 10.743 -3.412 10.018 1.00 20.31 H new ATOM 0 HG2 ARG A 13 8.542 -2.540 9.986 1.00 1.12 H new ATOM 0 HG3 ARG A 13 7.811 -4.115 10.222 1.00 1.12 H new ATOM 0 HD2 ARG A 13 7.779 -2.665 12.274 1.00 24.52 H new ATOM 0 HD3 ARG A 13 8.550 -4.220 12.517 1.00 24.52 H new ATOM 0 HE ARG A 13 10.563 -3.143 12.958 1.00 52.13 H new ATOM 0 HH11 ARG A 13 8.348 -0.952 11.298 1.00 71.12 H new ATOM 0 HH12 ARG A 13 9.403 0.451 11.499 1.00 71.12 H new ATOM 0 HH21 ARG A 13 11.911 -1.337 13.213 1.00 12.31 H new ATOM 0 HH22 ARG A 13 11.411 0.235 12.579 1.00 12.31 H new ATOM 218 N SER A 14 10.173 -3.179 6.935 1.00 25.32 N ATOM 219 CA SER A 14 9.766 -2.206 5.928 1.00 33.13 C ATOM 220 C SER A 14 9.196 -2.903 4.697 1.00 64.55 C ATOM 221 O SER A 14 8.261 -2.412 4.068 1.00 12.14 O ATOM 222 CB SER A 14 10.952 -1.327 5.528 1.00 5.22 C ATOM 223 OG SER A 14 11.165 -0.294 6.476 1.00 34.54 O ATOM 0 H SER A 14 11.182 -3.293 7.026 1.00 25.32 H new ATOM 0 HA SER A 14 8.987 -1.578 6.360 1.00 33.13 H new ATOM 0 HB2 SER A 14 11.850 -1.939 5.444 1.00 5.22 H new ATOM 0 HB3 SER A 14 10.771 -0.891 4.545 1.00 5.22 H new ATOM 0 HG SER A 14 12.081 0.045 6.390 1.00 34.54 H new ATOM 229 N ASN A 15 9.771 -4.054 4.358 1.00 22.15 N ATOM 230 CA ASN A 15 9.322 -4.821 3.202 1.00 45.13 C ATOM 231 C ASN A 15 7.931 -5.400 3.439 1.00 62.00 C ATOM 232 O ASN A 15 7.246 -5.797 2.497 1.00 15.41 O ATOM 233 CB ASN A 15 10.311 -5.948 2.896 1.00 1.30 C ATOM 234 CG ASN A 15 9.707 -7.024 2.016 1.00 32.50 C ATOM 235 OD1 ASN A 15 9.688 -6.902 0.791 1.00 0.21 O ATOM 236 ND2 ASN A 15 9.209 -8.087 2.637 1.00 13.22 N ATOM 0 H ASN A 15 10.548 -4.475 4.868 1.00 22.15 H new ATOM 0 HA ASN A 15 9.274 -4.147 2.347 1.00 45.13 H new ATOM 0 HB2 ASN A 15 11.191 -5.532 2.405 1.00 1.30 H new ATOM 0 HB3 ASN A 15 10.649 -6.395 3.831 1.00 1.30 H new ATOM 0 HD21 ASN A 15 8.790 -8.844 2.096 1.00 13.22 H new ATOM 0 HD22 ASN A 15 9.246 -8.147 3.655 1.00 13.22 H new ATOM 243 N GLN A 16 7.522 -5.443 4.703 1.00 63.35 N ATOM 244 CA GLN A 16 6.213 -5.974 5.063 1.00 73.23 C ATOM 245 C GLN A 16 5.100 -5.190 4.376 1.00 14.02 C ATOM 246 O GLN A 16 4.220 -5.769 3.740 1.00 30.11 O ATOM 247 CB GLN A 16 6.022 -5.932 6.580 1.00 14.13 C ATOM 248 CG GLN A 16 4.703 -6.528 7.044 1.00 72.11 C ATOM 249 CD GLN A 16 4.882 -7.849 7.767 1.00 41.31 C ATOM 250 OE1 GLN A 16 5.150 -8.878 7.147 1.00 41.54 O ATOM 251 NE2 GLN A 16 4.734 -7.827 9.086 1.00 11.13 N ATOM 0 H GLN A 16 8.078 -5.117 5.494 1.00 63.35 H new ATOM 0 HA GLN A 16 6.164 -7.010 4.727 1.00 73.23 H new ATOM 0 HB2 GLN A 16 6.842 -6.470 7.056 1.00 14.13 H new ATOM 0 HB3 GLN A 16 6.082 -4.897 6.917 1.00 14.13 H new ATOM 0 HG2 GLN A 16 4.202 -5.821 7.705 1.00 72.11 H new ATOM 0 HG3 GLN A 16 4.052 -6.675 6.182 1.00 72.11 H new ATOM 0 HE21 GLN A 16 4.512 -6.951 9.560 1.00 11.13 H new ATOM 0 HE22 GLN A 16 4.842 -8.686 9.626 1.00 11.13 H new ATOM 260 N ALA A 17 5.145 -3.868 4.509 1.00 24.13 N ATOM 261 CA ALA A 17 4.141 -3.004 3.900 1.00 21.23 C ATOM 262 C ALA A 17 3.969 -3.323 2.419 1.00 20.10 C ATOM 263 O ALA A 17 2.851 -3.520 1.943 1.00 52.30 O ATOM 264 CB ALA A 17 4.520 -1.542 4.087 1.00 33.35 C ATOM 0 H ALA A 17 5.866 -3.372 5.033 1.00 24.13 H new ATOM 0 HA ALA A 17 3.189 -3.187 4.397 1.00 21.23 H new ATOM 0 HB1 ALA A 17 3.762 -0.908 3.627 1.00 33.35 H new ATOM 0 HB2 ALA A 17 4.585 -1.316 5.151 1.00 33.35 H new ATOM 0 HB3 ALA A 17 5.485 -1.353 3.616 1.00 33.35 H new ATOM 270 N GLU A 18 5.083 -3.370 1.695 1.00 34.34 N ATOM 271 CA GLU A 18 5.053 -3.663 0.267 1.00 61.35 C ATOM 272 C GLU A 18 4.321 -4.975 -0.005 1.00 5.45 C ATOM 273 O GLU A 18 3.431 -5.037 -0.851 1.00 61.35 O ATOM 274 CB GLU A 18 6.476 -3.736 -0.291 1.00 63.33 C ATOM 275 CG GLU A 18 6.535 -4.124 -1.760 1.00 0.34 C ATOM 276 CD GLU A 18 6.863 -5.591 -1.963 1.00 2.41 C ATOM 277 OE1 GLU A 18 7.739 -6.108 -1.238 1.00 33.24 O ATOM 278 OE2 GLU A 18 6.245 -6.220 -2.846 1.00 11.20 O ATOM 0 H GLU A 18 6.016 -3.209 2.074 1.00 34.34 H new ATOM 0 HA GLU A 18 4.515 -2.857 -0.232 1.00 61.35 H new ATOM 0 HB2 GLU A 18 6.959 -2.768 -0.160 1.00 63.33 H new ATOM 0 HB3 GLU A 18 7.049 -4.459 0.290 1.00 63.33 H new ATOM 0 HG2 GLU A 18 5.577 -3.901 -2.230 1.00 0.34 H new ATOM 0 HG3 GLU A 18 7.286 -3.515 -2.263 1.00 0.34 H new ATOM 285 N ASN A 19 4.703 -6.021 0.721 1.00 3.31 N ATOM 286 CA ASN A 19 4.085 -7.331 0.559 1.00 13.30 C ATOM 287 C ASN A 19 2.582 -7.259 0.815 1.00 52.12 C ATOM 288 O ASN A 19 1.791 -7.884 0.108 1.00 42.34 O ATOM 289 CB ASN A 19 4.728 -8.343 1.510 1.00 14.44 C ATOM 290 CG ASN A 19 3.895 -9.600 1.664 1.00 32.41 C ATOM 291 OD1 ASN A 19 3.320 -10.101 0.697 1.00 64.31 O ATOM 292 ND2 ASN A 19 3.825 -10.119 2.885 1.00 0.40 N ATOM 0 H ASN A 19 5.438 -5.986 1.427 1.00 3.31 H new ATOM 0 HA ASN A 19 4.245 -7.656 -0.469 1.00 13.30 H new ATOM 0 HB2 ASN A 19 5.717 -8.609 1.138 1.00 14.44 H new ATOM 0 HB3 ASN A 19 4.868 -7.881 2.487 1.00 14.44 H new ATOM 0 HD21 ASN A 19 3.279 -10.965 3.049 1.00 0.40 H new ATOM 0 HD22 ASN A 19 4.317 -9.672 3.658 1.00 0.40 H new ATOM 299 N ILE A 20 2.197 -6.492 1.830 1.00 55.01 N ATOM 300 CA ILE A 20 0.789 -6.337 2.177 1.00 62.40 C ATOM 301 C ILE A 20 -0.004 -5.755 1.012 1.00 42.25 C ATOM 302 O ILE A 20 -1.034 -6.301 0.615 1.00 41.21 O ATOM 303 CB ILE A 20 0.610 -5.430 3.409 1.00 24.41 C ATOM 304 CG1 ILE A 20 1.295 -6.050 4.629 1.00 5.51 C ATOM 305 CG2 ILE A 20 -0.868 -5.198 3.685 1.00 42.02 C ATOM 306 CD1 ILE A 20 1.756 -5.029 5.646 1.00 21.22 C ATOM 0 H ILE A 20 2.839 -5.969 2.426 1.00 55.01 H new ATOM 0 HA ILE A 20 0.410 -7.332 2.410 1.00 62.40 H new ATOM 0 HB ILE A 20 1.077 -4.467 3.204 1.00 24.41 H new ATOM 0 HG12 ILE A 20 0.605 -6.744 5.109 1.00 5.51 H new ATOM 0 HG13 ILE A 20 2.154 -6.633 4.296 1.00 5.51 H new ATOM 0 HG21 ILE A 20 -0.979 -4.555 4.558 1.00 42.02 H new ATOM 0 HG22 ILE A 20 -1.329 -4.719 2.821 1.00 42.02 H new ATOM 0 HG23 ILE A 20 -1.357 -6.154 3.873 1.00 42.02 H new ATOM 0 HD11 ILE A 20 2.232 -5.539 6.483 1.00 21.22 H new ATOM 0 HD12 ILE A 20 2.470 -4.349 5.181 1.00 21.22 H new ATOM 0 HD13 ILE A 20 0.898 -4.462 6.007 1.00 21.22 H new ATOM 318 N ILE A 21 0.484 -4.646 0.467 1.00 42.32 N ATOM 319 CA ILE A 21 -0.177 -3.991 -0.655 1.00 13.33 C ATOM 320 C ILE A 21 -0.470 -4.984 -1.775 1.00 52.31 C ATOM 321 O ILE A 21 -1.555 -4.976 -2.359 1.00 34.34 O ATOM 322 CB ILE A 21 0.674 -2.837 -1.216 1.00 71.02 C ATOM 323 CG1 ILE A 21 0.922 -1.784 -0.134 1.00 30.30 C ATOM 324 CG2 ILE A 21 -0.009 -2.214 -2.424 1.00 63.22 C ATOM 325 CD1 ILE A 21 1.911 -0.716 -0.545 1.00 53.25 C ATOM 0 H ILE A 21 1.335 -4.182 0.784 1.00 42.32 H new ATOM 0 HA ILE A 21 -1.115 -3.586 -0.276 1.00 13.33 H new ATOM 0 HB ILE A 21 1.637 -3.236 -1.534 1.00 71.02 H new ATOM 0 HG12 ILE A 21 -0.025 -1.310 0.124 1.00 30.30 H new ATOM 0 HG13 ILE A 21 1.287 -2.279 0.766 1.00 30.30 H new ATOM 0 HG21 ILE A 21 0.605 -1.400 -2.809 1.00 63.22 H new ATOM 0 HG22 ILE A 21 -0.138 -2.970 -3.199 1.00 63.22 H new ATOM 0 HG23 ILE A 21 -0.984 -1.826 -2.130 1.00 63.22 H new ATOM 0 HD11 ILE A 21 2.038 -0.004 0.271 1.00 53.25 H new ATOM 0 HD12 ILE A 21 2.871 -1.178 -0.775 1.00 53.25 H new ATOM 0 HD13 ILE A 21 1.538 -0.195 -1.427 1.00 53.25 H new ATOM 337 N THR A 22 0.503 -5.839 -2.071 1.00 22.10 N ATOM 338 CA THR A 22 0.351 -6.838 -3.120 1.00 33.41 C ATOM 339 C THR A 22 -0.849 -7.740 -2.850 1.00 65.24 C ATOM 340 O THR A 22 -1.465 -8.263 -3.778 1.00 53.24 O ATOM 341 CB THR A 22 1.614 -7.709 -3.254 1.00 51.34 C ATOM 342 OG1 THR A 22 2.759 -6.880 -3.485 1.00 71.33 O ATOM 343 CG2 THR A 22 1.465 -8.706 -4.395 1.00 23.14 C ATOM 0 H THR A 22 1.406 -5.859 -1.598 1.00 22.10 H new ATOM 0 HA THR A 22 0.193 -6.296 -4.052 1.00 33.41 H new ATOM 0 HB THR A 22 1.748 -8.262 -2.324 1.00 51.34 H new ATOM 0 HG1 THR A 22 3.005 -6.424 -2.654 1.00 71.33 H new ATOM 0 HG21 THR A 22 2.369 -9.310 -4.471 1.00 23.14 H new ATOM 0 HG22 THR A 22 0.610 -9.354 -4.202 1.00 23.14 H new ATOM 0 HG23 THR A 22 1.309 -8.168 -5.330 1.00 23.14 H new ATOM 351 N ASP A 23 -1.173 -7.917 -1.575 1.00 34.01 N ATOM 352 CA ASP A 23 -2.301 -8.755 -1.183 1.00 44.01 C ATOM 353 C ASP A 23 -3.606 -8.214 -1.758 1.00 0.42 C ATOM 354 O ASP A 23 -4.215 -8.831 -2.633 1.00 2.31 O ATOM 355 CB ASP A 23 -2.396 -8.839 0.342 1.00 51.13 C ATOM 356 CG ASP A 23 -3.212 -10.029 0.806 1.00 21.33 C ATOM 357 OD1 ASP A 23 -3.203 -11.064 0.107 1.00 10.13 O ATOM 358 OD2 ASP A 23 -3.861 -9.925 1.868 1.00 24.35 O ATOM 0 H ASP A 23 -0.672 -7.492 -0.795 1.00 34.01 H new ATOM 0 HA ASP A 23 -2.136 -9.755 -1.584 1.00 44.01 H new ATOM 0 HB2 ASP A 23 -1.393 -8.904 0.763 1.00 51.13 H new ATOM 0 HB3 ASP A 23 -2.844 -7.923 0.726 1.00 51.13 H new ATOM 363 N LEU A 24 -4.032 -7.058 -1.259 1.00 61.44 N ATOM 364 CA LEU A 24 -5.265 -6.433 -1.723 1.00 33.22 C ATOM 365 C LEU A 24 -5.315 -6.388 -3.247 1.00 23.22 C ATOM 366 O LEU A 24 -6.377 -6.540 -3.849 1.00 15.14 O ATOM 367 CB LEU A 24 -5.388 -5.018 -1.154 1.00 71.54 C ATOM 368 CG LEU A 24 -5.492 -4.912 0.368 1.00 60.43 C ATOM 369 CD1 LEU A 24 -5.839 -3.492 0.782 1.00 14.44 C ATOM 370 CD2 LEU A 24 -6.525 -5.894 0.901 1.00 14.53 C ATOM 0 H LEU A 24 -3.541 -6.535 -0.533 1.00 61.44 H new ATOM 0 HA LEU A 24 -6.103 -7.034 -1.370 1.00 33.22 H new ATOM 0 HB2 LEU A 24 -4.523 -4.441 -1.480 1.00 71.54 H new ATOM 0 HB3 LEU A 24 -6.268 -4.547 -1.592 1.00 71.54 H new ATOM 0 HG LEU A 24 -4.523 -5.166 0.798 1.00 60.43 H new ATOM 0 HD11 LEU A 24 -5.909 -3.436 1.868 1.00 14.44 H new ATOM 0 HD12 LEU A 24 -5.063 -2.811 0.433 1.00 14.44 H new ATOM 0 HD13 LEU A 24 -6.795 -3.208 0.342 1.00 14.44 H new ATOM 0 HD21 LEU A 24 -6.586 -5.805 1.986 1.00 14.53 H new ATOM 0 HD22 LEU A 24 -7.498 -5.672 0.463 1.00 14.53 H new ATOM 0 HD23 LEU A 24 -6.232 -6.910 0.636 1.00 14.53 H new ATOM 382 N LEU A 25 -4.157 -6.180 -3.864 1.00 15.20 N ATOM 383 CA LEU A 25 -4.066 -6.116 -5.319 1.00 31.24 C ATOM 384 C LEU A 25 -4.651 -7.374 -5.955 1.00 51.34 C ATOM 385 O LEU A 25 -5.498 -7.295 -6.845 1.00 50.01 O ATOM 386 CB LEU A 25 -2.610 -5.942 -5.751 1.00 54.34 C ATOM 387 CG LEU A 25 -2.211 -4.539 -6.212 1.00 31.14 C ATOM 388 CD1 LEU A 25 -2.905 -4.188 -7.519 1.00 35.23 C ATOM 389 CD2 LEU A 25 -2.539 -3.511 -5.139 1.00 72.30 C ATOM 0 H LEU A 25 -3.268 -6.053 -3.380 1.00 15.20 H new ATOM 0 HA LEU A 25 -4.644 -5.256 -5.658 1.00 31.24 H new ATOM 0 HB2 LEU A 25 -1.968 -6.225 -4.917 1.00 54.34 H new ATOM 0 HB3 LEU A 25 -2.406 -6.641 -6.562 1.00 54.34 H new ATOM 0 HG LEU A 25 -1.134 -4.527 -6.382 1.00 31.14 H new ATOM 0 HD11 LEU A 25 -2.609 -3.186 -7.831 1.00 35.23 H new ATOM 0 HD12 LEU A 25 -2.619 -4.907 -8.287 1.00 35.23 H new ATOM 0 HD13 LEU A 25 -3.985 -4.219 -7.377 1.00 35.23 H new ATOM 0 HD21 LEU A 25 -2.248 -2.519 -5.485 1.00 72.30 H new ATOM 0 HD22 LEU A 25 -3.610 -3.525 -4.937 1.00 72.30 H new ATOM 0 HD23 LEU A 25 -1.994 -3.751 -4.226 1.00 72.30 H new ATOM 401 N ASP A 26 -4.193 -8.532 -5.493 1.00 53.13 N ATOM 402 CA ASP A 26 -4.673 -9.806 -6.015 1.00 65.32 C ATOM 403 C ASP A 26 -6.163 -9.978 -5.744 1.00 73.31 C ATOM 404 O ASP A 26 -6.923 -10.378 -6.627 1.00 73.34 O ATOM 405 CB ASP A 26 -3.891 -10.963 -5.391 1.00 72.53 C ATOM 406 CG ASP A 26 -4.001 -12.240 -6.202 1.00 31.41 C ATOM 407 OD1 ASP A 26 -5.117 -12.795 -6.284 1.00 54.11 O ATOM 408 OD2 ASP A 26 -2.972 -12.686 -6.752 1.00 13.42 O ATOM 0 H ASP A 26 -3.490 -8.615 -4.758 1.00 53.13 H new ATOM 0 HA ASP A 26 -4.516 -9.811 -7.094 1.00 65.32 H new ATOM 0 HB2 ASP A 26 -2.842 -10.682 -5.302 1.00 72.53 H new ATOM 0 HB3 ASP A 26 -4.260 -11.144 -4.381 1.00 72.53 H new ATOM 413 N ASP A 27 -6.576 -9.674 -4.519 1.00 23.41 N ATOM 414 CA ASP A 27 -7.976 -9.795 -4.131 1.00 32.53 C ATOM 415 C ASP A 27 -8.858 -8.897 -4.992 1.00 61.02 C ATOM 416 O ASP A 27 -10.023 -9.208 -5.243 1.00 32.13 O ATOM 417 CB ASP A 27 -8.152 -9.438 -2.654 1.00 65.43 C ATOM 418 CG ASP A 27 -7.543 -10.476 -1.731 1.00 41.01 C ATOM 419 OD1 ASP A 27 -6.299 -10.531 -1.639 1.00 23.00 O ATOM 420 OD2 ASP A 27 -8.311 -11.231 -1.100 1.00 44.02 O ATOM 0 H ASP A 27 -5.960 -9.342 -3.777 1.00 23.41 H new ATOM 0 HA ASP A 27 -8.281 -10.830 -4.285 1.00 32.53 H new ATOM 0 HB2 ASP A 27 -7.692 -8.469 -2.460 1.00 65.43 H new ATOM 0 HB3 ASP A 27 -9.214 -9.337 -2.432 1.00 65.43 H new ATOM 425 N LEU A 28 -8.296 -7.781 -5.443 1.00 22.13 N ATOM 426 CA LEU A 28 -9.031 -6.835 -6.276 1.00 24.21 C ATOM 427 C LEU A 28 -9.313 -7.429 -7.653 1.00 14.33 C ATOM 428 O LEU A 28 -10.262 -7.031 -8.328 1.00 73.45 O ATOM 429 CB LEU A 28 -8.243 -5.532 -6.420 1.00 71.22 C ATOM 430 CG LEU A 28 -8.366 -4.542 -5.263 1.00 12.31 C ATOM 431 CD1 LEU A 28 -7.494 -3.321 -5.510 1.00 3.42 C ATOM 432 CD2 LEU A 28 -9.817 -4.131 -5.064 1.00 32.23 C ATOM 0 H LEU A 28 -7.333 -7.509 -5.246 1.00 22.13 H new ATOM 0 HA LEU A 28 -9.983 -6.623 -5.790 1.00 24.21 H new ATOM 0 HB2 LEU A 28 -7.190 -5.780 -6.549 1.00 71.22 H new ATOM 0 HB3 LEU A 28 -8.567 -5.034 -7.334 1.00 71.22 H new ATOM 0 HG LEU A 28 -8.020 -5.032 -4.353 1.00 12.31 H new ATOM 0 HD11 LEU A 28 -7.595 -2.627 -4.675 1.00 3.42 H new ATOM 0 HD12 LEU A 28 -6.453 -3.630 -5.601 1.00 3.42 H new ATOM 0 HD13 LEU A 28 -7.809 -2.829 -6.431 1.00 3.42 H new ATOM 0 HD21 LEU A 28 -9.885 -3.426 -4.236 1.00 32.23 H new ATOM 0 HD22 LEU A 28 -10.190 -3.660 -5.973 1.00 32.23 H new ATOM 0 HD23 LEU A 28 -10.417 -5.013 -4.840 1.00 32.23 H new ATOM 552 N SER A 36 -8.688 1.332 -11.764 1.00 41.13 N ATOM 553 CA SER A 36 -7.673 2.357 -11.981 1.00 23.13 C ATOM 554 C SER A 36 -7.026 2.769 -10.661 1.00 74.32 C ATOM 555 O SER A 36 -5.900 3.267 -10.638 1.00 24.30 O ATOM 556 CB SER A 36 -8.291 3.580 -12.663 1.00 23.32 C ATOM 557 OG SER A 36 -8.996 3.209 -13.834 1.00 21.31 O ATOM 0 HA SER A 36 -6.902 1.939 -12.629 1.00 23.13 H new ATOM 0 HB2 SER A 36 -8.967 4.083 -11.972 1.00 23.32 H new ATOM 0 HB3 SER A 36 -7.507 4.293 -12.917 1.00 23.32 H new ATOM 0 HG SER A 36 -9.229 2.258 -13.788 1.00 21.31 H new ATOM 563 N LEU A 37 -7.746 2.558 -9.566 1.00 31.51 N ATOM 564 CA LEU A 37 -7.244 2.906 -8.241 1.00 63.14 C ATOM 565 C LEU A 37 -5.934 2.181 -7.948 1.00 15.14 C ATOM 566 O LEU A 37 -5.068 2.701 -7.245 1.00 12.45 O ATOM 567 CB LEU A 37 -8.282 2.560 -7.173 1.00 52.12 C ATOM 568 CG LEU A 37 -7.930 2.960 -5.739 1.00 53.32 C ATOM 569 CD1 LEU A 37 -6.996 1.936 -5.114 1.00 10.01 C ATOM 570 CD2 LEU A 37 -7.301 4.345 -5.712 1.00 74.13 C ATOM 0 H LEU A 37 -8.680 2.148 -9.569 1.00 31.51 H new ATOM 0 HA LEU A 37 -7.056 3.980 -8.221 1.00 63.14 H new ATOM 0 HB2 LEU A 37 -9.224 3.039 -7.442 1.00 52.12 H new ATOM 0 HB3 LEU A 37 -8.454 1.484 -7.197 1.00 52.12 H new ATOM 0 HG LEU A 37 -8.849 2.988 -5.153 1.00 53.32 H new ATOM 0 HD11 LEU A 37 -6.756 2.237 -4.094 1.00 10.01 H new ATOM 0 HD12 LEU A 37 -7.483 0.961 -5.100 1.00 10.01 H new ATOM 0 HD13 LEU A 37 -6.079 1.875 -5.699 1.00 10.01 H new ATOM 0 HD21 LEU A 37 -7.057 4.614 -4.684 1.00 74.13 H new ATOM 0 HD22 LEU A 37 -6.391 4.343 -6.313 1.00 74.13 H new ATOM 0 HD23 LEU A 37 -8.004 5.072 -6.120 1.00 74.13 H new ATOM 582 N LYS A 38 -5.796 0.978 -8.492 1.00 65.24 N ATOM 583 CA LYS A 38 -4.590 0.181 -8.293 1.00 1.12 C ATOM 584 C LYS A 38 -3.340 0.998 -8.606 1.00 34.45 C ATOM 585 O LYS A 38 -2.267 0.746 -8.058 1.00 34.45 O ATOM 586 CB LYS A 38 -4.629 -1.069 -9.174 1.00 23.30 C ATOM 587 CG LYS A 38 -5.796 -1.993 -8.867 1.00 63.21 C ATOM 588 CD LYS A 38 -6.151 -2.858 -10.064 1.00 70.24 C ATOM 589 CE LYS A 38 -5.426 -4.194 -10.022 1.00 64.51 C ATOM 590 NZ LYS A 38 -5.361 -4.833 -11.366 1.00 32.43 N ATOM 0 H LYS A 38 -6.504 0.532 -9.075 1.00 65.24 H new ATOM 0 HA LYS A 38 -4.553 -0.121 -7.246 1.00 1.12 H new ATOM 0 HB2 LYS A 38 -4.682 -0.765 -10.219 1.00 23.30 H new ATOM 0 HB3 LYS A 38 -3.697 -1.620 -9.049 1.00 23.30 H new ATOM 0 HG2 LYS A 38 -5.544 -2.630 -8.019 1.00 63.21 H new ATOM 0 HG3 LYS A 38 -6.663 -1.401 -8.575 1.00 63.21 H new ATOM 0 HD2 LYS A 38 -7.227 -3.028 -10.085 1.00 70.24 H new ATOM 0 HD3 LYS A 38 -5.893 -2.332 -10.983 1.00 70.24 H new ATOM 0 HE2 LYS A 38 -4.416 -4.047 -9.641 1.00 64.51 H new ATOM 0 HE3 LYS A 38 -5.935 -4.862 -9.327 1.00 64.51 H new ATOM 0 HZ1 LYS A 38 -4.859 -5.741 -11.295 1.00 32.43 H new ATOM 0 HZ2 LYS A 38 -6.325 -4.997 -11.719 1.00 32.43 H new ATOM 0 HZ3 LYS A 38 -4.853 -4.208 -12.024 1.00 32.43 H new ATOM 604 N LYS A 39 -3.487 1.979 -9.489 1.00 60.22 N ATOM 605 CA LYS A 39 -2.371 2.835 -9.874 1.00 10.02 C ATOM 606 C LYS A 39 -1.690 3.427 -8.644 1.00 72.13 C ATOM 607 O LYS A 39 -0.467 3.568 -8.606 1.00 74.15 O ATOM 608 CB LYS A 39 -2.857 3.960 -10.791 1.00 62.21 C ATOM 609 CG LYS A 39 -3.588 5.070 -10.058 1.00 34.14 C ATOM 610 CD LYS A 39 -4.550 5.806 -10.975 1.00 43.53 C ATOM 611 CE LYS A 39 -5.855 6.136 -10.267 1.00 52.44 C ATOM 612 NZ LYS A 39 -6.966 6.367 -11.231 1.00 60.23 N ATOM 0 H LYS A 39 -4.368 2.201 -9.952 1.00 60.22 H new ATOM 0 HA LYS A 39 -1.646 2.224 -10.411 1.00 10.02 H new ATOM 0 HB2 LYS A 39 -2.001 4.385 -11.315 1.00 62.21 H new ATOM 0 HB3 LYS A 39 -3.518 3.540 -11.549 1.00 62.21 H new ATOM 0 HG2 LYS A 39 -4.137 4.650 -9.215 1.00 34.14 H new ATOM 0 HG3 LYS A 39 -2.864 5.774 -9.648 1.00 34.14 H new ATOM 0 HD2 LYS A 39 -4.085 6.726 -11.329 1.00 43.53 H new ATOM 0 HD3 LYS A 39 -4.756 5.195 -11.853 1.00 43.53 H new ATOM 0 HE2 LYS A 39 -6.121 5.319 -9.596 1.00 52.44 H new ATOM 0 HE3 LYS A 39 -5.719 7.024 -9.650 1.00 52.44 H new ATOM 0 HZ1 LYS A 39 -7.337 7.331 -11.109 1.00 60.23 H new ATOM 0 HZ2 LYS A 39 -6.612 6.253 -12.202 1.00 60.23 H new ATOM 0 HZ3 LYS A 39 -7.726 5.679 -11.056 1.00 60.23 H new ATOM 626 N VAL A 40 -2.488 3.769 -7.639 1.00 0.44 N ATOM 627 CA VAL A 40 -1.962 4.343 -6.405 1.00 50.41 C ATOM 628 C VAL A 40 -1.150 3.316 -5.625 1.00 3.11 C ATOM 629 O VAL A 40 0.019 3.544 -5.310 1.00 22.23 O ATOM 630 CB VAL A 40 -3.094 4.876 -5.507 1.00 20.21 C ATOM 631 CG1 VAL A 40 -2.687 4.815 -4.043 1.00 5.14 C ATOM 632 CG2 VAL A 40 -3.467 6.295 -5.906 1.00 13.40 C ATOM 0 H VAL A 40 -3.502 3.659 -7.654 1.00 0.44 H new ATOM 0 HA VAL A 40 -1.315 5.172 -6.691 1.00 50.41 H new ATOM 0 HB VAL A 40 -3.971 4.243 -5.643 1.00 20.21 H new ATOM 0 HG11 VAL A 40 -3.499 5.196 -3.423 1.00 5.14 H new ATOM 0 HG12 VAL A 40 -2.474 3.782 -3.767 1.00 5.14 H new ATOM 0 HG13 VAL A 40 -1.796 5.423 -3.887 1.00 5.14 H new ATOM 0 HG21 VAL A 40 -4.268 6.656 -5.261 1.00 13.40 H new ATOM 0 HG22 VAL A 40 -2.597 6.943 -5.801 1.00 13.40 H new ATOM 0 HG23 VAL A 40 -3.803 6.305 -6.943 1.00 13.40 H new ATOM 642 N LEU A 41 -1.775 2.185 -5.315 1.00 53.55 N ATOM 643 CA LEU A 41 -1.109 1.122 -4.572 1.00 21.42 C ATOM 644 C LEU A 41 0.164 0.675 -5.282 1.00 70.22 C ATOM 645 O LEU A 41 1.238 0.628 -4.682 1.00 12.43 O ATOM 646 CB LEU A 41 -2.052 -0.069 -4.393 1.00 30.21 C ATOM 647 CG LEU A 41 -3.118 0.075 -3.306 1.00 51.35 C ATOM 648 CD1 LEU A 41 -2.473 0.374 -1.963 1.00 24.54 C ATOM 649 CD2 LEU A 41 -4.112 1.167 -3.676 1.00 23.02 C ATOM 0 H LEU A 41 -2.742 1.981 -5.567 1.00 53.55 H new ATOM 0 HA LEU A 41 -0.837 1.513 -3.592 1.00 21.42 H new ATOM 0 HB2 LEU A 41 -2.553 -0.256 -5.343 1.00 30.21 H new ATOM 0 HB3 LEU A 41 -1.452 -0.951 -4.171 1.00 30.21 H new ATOM 0 HG LEU A 41 -3.657 -0.869 -3.225 1.00 51.35 H new ATOM 0 HD11 LEU A 41 -3.247 0.473 -1.202 1.00 24.54 H new ATOM 0 HD12 LEU A 41 -1.801 -0.440 -1.693 1.00 24.54 H new ATOM 0 HD13 LEU A 41 -1.908 1.304 -2.030 1.00 24.54 H new ATOM 0 HD21 LEU A 41 -4.864 1.256 -2.892 1.00 23.02 H new ATOM 0 HD22 LEU A 41 -3.587 2.116 -3.784 1.00 23.02 H new ATOM 0 HD23 LEU A 41 -4.599 0.912 -4.617 1.00 23.02 H new ATOM 661 N GLU A 42 0.037 0.349 -6.565 1.00 3.33 N ATOM 662 CA GLU A 42 1.179 -0.093 -7.358 1.00 12.24 C ATOM 663 C GLU A 42 2.301 0.940 -7.317 1.00 4.02 C ATOM 664 O GLU A 42 3.447 0.615 -7.006 1.00 2.34 O ATOM 665 CB GLU A 42 0.755 -0.345 -8.806 1.00 64.22 C ATOM 666 CG GLU A 42 0.082 -1.691 -9.018 1.00 12.44 C ATOM 667 CD GLU A 42 0.533 -2.375 -10.294 1.00 3.54 C ATOM 668 OE1 GLU A 42 0.780 -1.665 -11.292 1.00 21.41 O ATOM 669 OE2 GLU A 42 0.639 -3.619 -10.293 1.00 53.43 O ATOM 0 H GLU A 42 -0.845 0.383 -7.077 1.00 3.33 H new ATOM 0 HA GLU A 42 1.550 -1.024 -6.929 1.00 12.24 H new ATOM 0 HB2 GLU A 42 0.073 0.446 -9.119 1.00 64.22 H new ATOM 0 HB3 GLU A 42 1.633 -0.282 -9.449 1.00 64.22 H new ATOM 0 HG2 GLU A 42 0.297 -2.338 -8.168 1.00 12.44 H new ATOM 0 HG3 GLU A 42 -0.999 -1.552 -9.047 1.00 12.44 H new ATOM 676 N ASN A 43 1.964 2.185 -7.634 1.00 11.43 N ATOM 677 CA ASN A 43 2.943 3.266 -7.634 1.00 55.23 C ATOM 678 C ASN A 43 3.706 3.311 -6.314 1.00 31.43 C ATOM 679 O ASN A 43 4.902 3.023 -6.265 1.00 73.34 O ATOM 680 CB ASN A 43 2.251 4.609 -7.882 1.00 42.13 C ATOM 681 CG ASN A 43 2.151 4.944 -9.357 1.00 54.02 C ATOM 682 OD1 ASN A 43 2.419 6.073 -9.769 1.00 23.21 O ATOM 683 ND2 ASN A 43 1.762 3.961 -10.161 1.00 53.44 N ATOM 0 H ASN A 43 1.020 2.471 -7.894 1.00 11.43 H new ATOM 0 HA ASN A 43 3.655 3.077 -8.438 1.00 55.23 H new ATOM 0 HB2 ASN A 43 1.251 4.585 -7.449 1.00 42.13 H new ATOM 0 HB3 ASN A 43 2.801 5.398 -7.369 1.00 42.13 H new ATOM 0 HD21 ASN A 43 1.675 4.126 -11.164 1.00 53.44 H new ATOM 0 HD22 ASN A 43 1.550 3.041 -9.776 1.00 53.44 H new ATOM 690 N TYR A 44 3.005 3.672 -5.244 1.00 45.12 N ATOM 691 CA TYR A 44 3.616 3.756 -3.923 1.00 62.04 C ATOM 692 C TYR A 44 4.352 2.464 -3.581 1.00 4.44 C ATOM 693 O TYR A 44 5.437 2.489 -2.996 1.00 55.13 O ATOM 694 CB TYR A 44 2.552 4.046 -2.864 1.00 23.10 C ATOM 695 CG TYR A 44 2.153 5.502 -2.789 1.00 11.34 C ATOM 696 CD1 TYR A 44 3.109 6.496 -2.618 1.00 52.25 C ATOM 697 CD2 TYR A 44 0.821 5.884 -2.887 1.00 14.23 C ATOM 698 CE1 TYR A 44 2.749 7.829 -2.549 1.00 63.31 C ATOM 699 CE2 TYR A 44 0.453 7.214 -2.819 1.00 73.43 C ATOM 700 CZ TYR A 44 1.420 8.182 -2.650 1.00 52.44 C ATOM 701 OH TYR A 44 1.056 9.507 -2.582 1.00 44.50 O ATOM 0 H TYR A 44 2.014 3.911 -5.266 1.00 45.12 H new ATOM 0 HA TYR A 44 4.338 4.572 -3.935 1.00 62.04 H new ATOM 0 HB2 TYR A 44 1.667 3.446 -3.076 1.00 23.10 H new ATOM 0 HB3 TYR A 44 2.925 3.730 -1.890 1.00 23.10 H new ATOM 0 HD1 TYR A 44 4.151 6.223 -2.538 1.00 52.25 H new ATOM 0 HD2 TYR A 44 0.060 5.129 -3.019 1.00 14.23 H new ATOM 0 HE1 TYR A 44 3.504 8.589 -2.417 1.00 63.31 H new ATOM 0 HE2 TYR A 44 -0.587 7.494 -2.898 1.00 73.43 H new ATOM 0 HH TYR A 44 0.083 9.584 -2.671 1.00 44.50 H new ATOM 711 N LEU A 45 3.755 1.335 -3.949 1.00 3.34 N ATOM 712 CA LEU A 45 4.354 0.032 -3.682 1.00 31.14 C ATOM 713 C LEU A 45 5.746 -0.064 -4.295 1.00 63.02 C ATOM 714 O LEU A 45 6.655 -0.648 -3.705 1.00 0.45 O ATOM 715 CB LEU A 45 3.463 -1.083 -4.235 1.00 14.54 C ATOM 716 CG LEU A 45 4.107 -2.464 -4.345 1.00 62.11 C ATOM 717 CD1 LEU A 45 3.095 -3.552 -4.024 1.00 72.11 C ATOM 718 CD2 LEU A 45 4.692 -2.671 -5.734 1.00 43.14 C ATOM 0 H LEU A 45 2.858 1.296 -4.433 1.00 3.34 H new ATOM 0 HA LEU A 45 4.445 -0.084 -2.602 1.00 31.14 H new ATOM 0 HB2 LEU A 45 2.581 -1.165 -3.599 1.00 14.54 H new ATOM 0 HB3 LEU A 45 3.116 -0.786 -5.225 1.00 14.54 H new ATOM 0 HG LEU A 45 4.917 -2.524 -3.619 1.00 62.11 H new ATOM 0 HD11 LEU A 45 3.572 -4.529 -4.108 1.00 72.11 H new ATOM 0 HD12 LEU A 45 2.724 -3.415 -3.008 1.00 72.11 H new ATOM 0 HD13 LEU A 45 2.263 -3.493 -4.726 1.00 72.11 H new ATOM 0 HD21 LEU A 45 5.146 -3.660 -5.794 1.00 43.14 H new ATOM 0 HD22 LEU A 45 3.900 -2.590 -6.478 1.00 43.14 H new ATOM 0 HD23 LEU A 45 5.450 -1.911 -5.927 1.00 43.14 H new ATOM 730 N GLU A 46 5.908 0.515 -5.481 1.00 14.44 N ATOM 731 CA GLU A 46 7.191 0.496 -6.171 1.00 52.55 C ATOM 732 C GLU A 46 8.222 1.339 -5.428 1.00 65.21 C ATOM 733 O GLU A 46 9.418 1.053 -5.469 1.00 43.25 O ATOM 734 CB GLU A 46 7.032 1.012 -7.604 1.00 30.41 C ATOM 735 CG GLU A 46 7.136 -0.078 -8.658 1.00 61.51 C ATOM 736 CD GLU A 46 6.246 0.183 -9.857 1.00 5.11 C ATOM 737 OE1 GLU A 46 6.567 1.094 -10.648 1.00 2.25 O ATOM 738 OE2 GLU A 46 5.228 -0.525 -10.005 1.00 12.12 O ATOM 0 H GLU A 46 5.166 1.003 -5.983 1.00 14.44 H new ATOM 0 HA GLU A 46 7.543 -0.535 -6.200 1.00 52.55 H new ATOM 0 HB2 GLU A 46 6.065 1.506 -7.698 1.00 30.41 H new ATOM 0 HB3 GLU A 46 7.795 1.766 -7.797 1.00 30.41 H new ATOM 0 HG2 GLU A 46 8.171 -0.160 -8.990 1.00 61.51 H new ATOM 0 HG3 GLU A 46 6.867 -1.036 -8.212 1.00 61.51 H new ATOM 745 N GLU A 47 7.749 2.379 -4.749 1.00 3.05 N ATOM 746 CA GLU A 47 8.631 3.264 -3.996 1.00 41.23 C ATOM 747 C GLU A 47 9.473 2.475 -2.998 1.00 70.11 C ATOM 748 O GLU A 47 10.667 2.730 -2.838 1.00 3.20 O ATOM 749 CB GLU A 47 7.815 4.330 -3.261 1.00 35.54 C ATOM 750 CG GLU A 47 6.897 5.129 -4.171 1.00 14.24 C ATOM 751 CD GLU A 47 7.614 6.271 -4.864 1.00 70.45 C ATOM 752 OE1 GLU A 47 8.476 6.907 -4.224 1.00 22.52 O ATOM 753 OE2 GLU A 47 7.313 6.527 -6.049 1.00 32.14 O ATOM 0 H GLU A 47 6.761 2.630 -4.705 1.00 3.05 H new ATOM 0 HA GLU A 47 9.301 3.753 -4.703 1.00 41.23 H new ATOM 0 HB2 GLU A 47 7.217 3.848 -2.488 1.00 35.54 H new ATOM 0 HB3 GLU A 47 8.497 5.014 -2.756 1.00 35.54 H new ATOM 0 HG2 GLU A 47 6.468 4.465 -4.922 1.00 14.24 H new ATOM 0 HG3 GLU A 47 6.068 5.527 -3.586 1.00 14.24 H new ATOM 760 N LEU A 48 8.843 1.515 -2.330 1.00 61.23 N ATOM 761 CA LEU A 48 9.533 0.687 -1.347 1.00 51.12 C ATOM 762 C LEU A 48 10.707 -0.050 -1.984 1.00 14.41 C ATOM 763 O LEU A 48 11.655 -0.437 -1.301 1.00 50.31 O ATOM 764 CB LEU A 48 8.562 -0.317 -0.726 1.00 32.52 C ATOM 765 CG LEU A 48 7.470 0.269 0.170 1.00 51.12 C ATOM 766 CD1 LEU A 48 6.194 0.499 -0.626 1.00 12.52 C ATOM 767 CD2 LEU A 48 7.203 -0.646 1.356 1.00 64.05 C ATOM 0 H LEU A 48 7.855 1.291 -2.451 1.00 61.23 H new ATOM 0 HA LEU A 48 9.920 1.340 -0.565 1.00 51.12 H new ATOM 0 HB2 LEU A 48 8.083 -0.874 -1.531 1.00 32.52 H new ATOM 0 HB3 LEU A 48 9.138 -1.034 -0.141 1.00 32.52 H new ATOM 0 HG LEU A 48 7.816 1.230 0.550 1.00 51.12 H new ATOM 0 HD11 LEU A 48 5.428 0.916 0.027 1.00 12.52 H new ATOM 0 HD12 LEU A 48 6.394 1.195 -1.441 1.00 12.52 H new ATOM 0 HD13 LEU A 48 5.845 -0.449 -1.035 1.00 12.52 H new ATOM 0 HD21 LEU A 48 6.423 -0.212 1.982 1.00 64.05 H new ATOM 0 HD22 LEU A 48 6.878 -1.622 0.996 1.00 64.05 H new ATOM 0 HD23 LEU A 48 8.116 -0.760 1.941 1.00 64.05 H new ATOM 779 N LYS A 49 10.638 -0.239 -3.298 1.00 23.13 N ATOM 780 CA LYS A 49 11.696 -0.925 -4.028 1.00 63.32 C ATOM 781 C LYS A 49 12.930 -0.039 -4.160 1.00 71.14 C ATOM 782 O LYS A 49 14.055 -0.495 -3.961 1.00 65.15 O ATOM 783 CB LYS A 49 11.200 -1.337 -5.417 1.00 32.42 C ATOM 784 CG LYS A 49 9.818 -1.968 -5.407 1.00 11.25 C ATOM 785 CD LYS A 49 9.805 -3.273 -4.629 1.00 5.22 C ATOM 786 CE LYS A 49 8.410 -3.875 -4.574 1.00 52.14 C ATOM 787 NZ LYS A 49 8.130 -4.736 -5.756 1.00 50.14 N ATOM 0 H LYS A 49 9.860 0.074 -3.878 1.00 23.13 H new ATOM 0 HA LYS A 49 11.971 -1.818 -3.466 1.00 63.32 H new ATOM 0 HB2 LYS A 49 11.185 -0.459 -6.063 1.00 32.42 H new ATOM 0 HB3 LYS A 49 11.909 -2.041 -5.853 1.00 32.42 H new ATOM 0 HG2 LYS A 49 9.103 -1.273 -4.966 1.00 11.25 H new ATOM 0 HG3 LYS A 49 9.493 -2.151 -6.431 1.00 11.25 H new ATOM 0 HD2 LYS A 49 10.490 -3.982 -5.094 1.00 5.22 H new ATOM 0 HD3 LYS A 49 10.167 -3.097 -3.616 1.00 5.22 H new ATOM 0 HE2 LYS A 49 8.304 -4.464 -3.663 1.00 52.14 H new ATOM 0 HE3 LYS A 49 7.671 -3.075 -4.524 1.00 52.14 H new ATOM 0 HZ1 LYS A 49 7.169 -5.127 -5.681 1.00 50.14 H new ATOM 0 HZ2 LYS A 49 8.206 -4.169 -6.624 1.00 50.14 H new ATOM 0 HZ3 LYS A 49 8.819 -5.514 -5.790 1.00 50.14 H new ATOM 801 N GLN A 50 12.711 1.227 -4.495 1.00 12.31 N ATOM 802 CA GLN A 50 13.806 2.177 -4.653 1.00 3.55 C ATOM 803 C GLN A 50 14.308 2.658 -3.294 1.00 51.44 C ATOM 804 O GLN A 50 13.673 2.422 -2.267 1.00 14.52 O ATOM 805 CB GLN A 50 13.357 3.372 -5.496 1.00 24.40 C ATOM 806 CG GLN A 50 12.586 2.977 -6.746 1.00 25.13 C ATOM 807 CD GLN A 50 12.116 4.177 -7.544 1.00 44.45 C ATOM 808 OE1 GLN A 50 12.754 5.231 -7.536 1.00 50.34 O ATOM 809 NE2 GLN A 50 10.996 4.024 -8.240 1.00 30.12 N ATOM 0 H GLN A 50 11.785 1.620 -4.663 1.00 12.31 H new ATOM 0 HA GLN A 50 14.624 1.669 -5.164 1.00 3.55 H new ATOM 0 HB2 GLN A 50 12.733 4.024 -4.885 1.00 24.40 H new ATOM 0 HB3 GLN A 50 14.233 3.951 -5.787 1.00 24.40 H new ATOM 0 HG2 GLN A 50 13.218 2.351 -7.376 1.00 25.13 H new ATOM 0 HG3 GLN A 50 11.724 2.374 -6.461 1.00 25.13 H new ATOM 0 HE21 GLN A 50 10.499 3.133 -8.218 1.00 30.12 H new ATOM 0 HE22 GLN A 50 10.632 4.797 -8.797 1.00 30.12 H new ATOM 818 N LYS A 51 15.451 3.335 -3.299 1.00 30.14 N ATOM 819 CA LYS A 51 16.039 3.852 -2.068 1.00 24.34 C ATOM 820 C LYS A 51 15.912 5.370 -2.000 1.00 63.24 C ATOM 821 O LYS A 51 16.600 6.026 -1.217 1.00 31.44 O ATOM 822 CB LYS A 51 17.513 3.447 -1.974 1.00 33.14 C ATOM 823 CG LYS A 51 18.332 3.847 -3.188 1.00 72.43 C ATOM 824 CD LYS A 51 19.815 3.601 -2.966 1.00 72.11 C ATOM 825 CE LYS A 51 20.458 4.740 -2.190 1.00 42.14 C ATOM 826 NZ LYS A 51 20.626 5.958 -3.030 1.00 34.21 N ATOM 0 H LYS A 51 15.989 3.539 -4.141 1.00 30.14 H new ATOM 0 HA LYS A 51 15.496 3.422 -1.226 1.00 24.34 H new ATOM 0 HB2 LYS A 51 17.950 3.902 -1.085 1.00 33.14 H new ATOM 0 HB3 LYS A 51 17.577 2.367 -1.843 1.00 33.14 H new ATOM 0 HG2 LYS A 51 17.995 3.283 -4.057 1.00 72.43 H new ATOM 0 HG3 LYS A 51 18.166 4.902 -3.409 1.00 72.43 H new ATOM 0 HD2 LYS A 51 19.953 2.666 -2.423 1.00 72.11 H new ATOM 0 HD3 LYS A 51 20.314 3.487 -3.928 1.00 72.11 H new ATOM 0 HE2 LYS A 51 19.844 4.980 -1.322 1.00 42.14 H new ATOM 0 HE3 LYS A 51 21.430 4.421 -1.815 1.00 42.14 H new ATOM 0 HZ1 LYS A 51 21.257 6.629 -2.547 1.00 34.21 H new ATOM 0 HZ2 LYS A 51 21.040 5.693 -3.947 1.00 34.21 H new ATOM 0 HZ3 LYS A 51 19.699 6.404 -3.184 1.00 34.21 H new ATOM 840 N SER A 52 15.028 5.923 -2.824 1.00 20.43 N ATOM 841 CA SER A 52 14.813 7.365 -2.859 1.00 23.42 C ATOM 842 C SER A 52 13.815 7.792 -1.786 1.00 60.34 C ATOM 843 O SER A 52 14.177 8.454 -0.815 1.00 11.34 O ATOM 844 CB SER A 52 14.311 7.794 -4.239 1.00 1.21 C ATOM 845 OG SER A 52 14.157 9.201 -4.311 1.00 64.31 O ATOM 0 H SER A 52 14.449 5.394 -3.476 1.00 20.43 H new ATOM 0 HA SER A 52 15.766 7.855 -2.659 1.00 23.42 H new ATOM 0 HB2 SER A 52 15.013 7.462 -5.004 1.00 1.21 H new ATOM 0 HB3 SER A 52 13.358 7.309 -4.449 1.00 1.21 H new ATOM 0 HG SER A 52 13.837 9.450 -5.203 1.00 64.31 H new ATOM 851 N ALA A 53 12.557 7.405 -1.971 1.00 3.02 N ATOM 852 CA ALA A 53 11.507 7.745 -1.020 1.00 13.20 C ATOM 853 C ALA A 53 11.637 6.924 0.258 1.00 1.54 C ATOM 854 O ALA A 53 11.901 5.722 0.213 1.00 53.32 O ATOM 855 CB ALA A 53 10.137 7.533 -1.647 1.00 71.44 C ATOM 0 H ALA A 53 12.241 6.856 -2.771 1.00 3.02 H new ATOM 0 HA ALA A 53 11.616 8.797 -0.758 1.00 13.20 H new ATOM 0 HB1 ALA A 53 9.362 7.791 -0.925 1.00 71.44 H new ATOM 0 HB2 ALA A 53 10.038 8.167 -2.528 1.00 71.44 H new ATOM 0 HB3 ALA A 53 10.028 6.488 -1.938 1.00 71.44 H new ATOM 861 N SER A 54 11.452 7.581 1.400 1.00 75.12 N ATOM 862 CA SER A 54 11.553 6.912 2.691 1.00 2.11 C ATOM 863 C SER A 54 10.369 5.976 2.913 1.00 1.45 C ATOM 864 O SER A 54 9.253 6.253 2.473 1.00 41.12 O ATOM 865 CB SER A 54 11.622 7.943 3.820 1.00 54.55 C ATOM 866 OG SER A 54 12.951 8.104 4.284 1.00 12.20 O ATOM 0 H SER A 54 11.232 8.575 1.456 1.00 75.12 H new ATOM 0 HA SER A 54 12.467 6.319 2.694 1.00 2.11 H new ATOM 0 HB2 SER A 54 11.239 8.900 3.466 1.00 54.55 H new ATOM 0 HB3 SER A 54 10.982 7.628 4.644 1.00 54.55 H new ATOM 0 HG SER A 54 12.968 8.769 5.004 1.00 12.20 H new ATOM 872 N VAL A 55 10.620 4.867 3.601 1.00 64.34 N ATOM 873 CA VAL A 55 9.576 3.890 3.884 1.00 64.24 C ATOM 874 C VAL A 55 8.354 4.555 4.506 1.00 5.21 C ATOM 875 O VAL A 55 7.239 4.467 3.993 1.00 72.02 O ATOM 876 CB VAL A 55 10.083 2.785 4.830 1.00 71.21 C ATOM 877 CG1 VAL A 55 8.945 2.253 5.689 1.00 51.34 C ATOM 878 CG2 VAL A 55 10.732 1.660 4.036 1.00 5.51 C ATOM 0 H VAL A 55 11.538 4.623 3.973 1.00 64.34 H new ATOM 0 HA VAL A 55 9.296 3.442 2.931 1.00 64.24 H new ATOM 0 HB VAL A 55 10.836 3.215 5.491 1.00 71.21 H new ATOM 0 HG11 VAL A 55 9.322 1.473 6.351 1.00 51.34 H new ATOM 0 HG12 VAL A 55 8.529 3.065 6.285 1.00 51.34 H new ATOM 0 HG13 VAL A 55 8.167 1.839 5.047 1.00 51.34 H new ATOM 0 HG21 VAL A 55 11.084 0.888 4.720 1.00 5.51 H new ATOM 0 HG22 VAL A 55 10.002 1.231 3.350 1.00 5.51 H new ATOM 0 HG23 VAL A 55 11.575 2.054 3.469 1.00 5.51 H new ATOM 888 N PRO A 56 8.567 5.239 5.640 1.00 3.54 N ATOM 889 CA PRO A 56 7.495 5.935 6.358 1.00 11.53 C ATOM 890 C PRO A 56 6.988 7.158 5.600 1.00 51.21 C ATOM 891 O PRO A 56 5.914 7.683 5.896 1.00 43.54 O ATOM 892 CB PRO A 56 8.161 6.358 7.669 1.00 1.04 C ATOM 893 CG PRO A 56 9.613 6.445 7.345 1.00 13.11 C ATOM 894 CD PRO A 56 9.871 5.387 6.310 1.00 72.34 C ATOM 0 HA PRO A 56 6.619 5.301 6.494 1.00 11.53 H new ATOM 0 HB2 PRO A 56 7.775 7.316 8.018 1.00 1.04 H new ATOM 0 HB3 PRO A 56 7.975 5.632 8.460 1.00 1.04 H new ATOM 0 HG2 PRO A 56 9.869 7.434 6.964 1.00 13.11 H new ATOM 0 HG3 PRO A 56 10.222 6.278 8.234 1.00 13.11 H new ATOM 0 HD2 PRO A 56 10.650 5.691 5.611 1.00 72.34 H new ATOM 0 HD3 PRO A 56 10.198 4.452 6.764 1.00 72.34 H new ATOM 902 N LEU A 57 7.767 7.605 4.621 1.00 42.31 N ATOM 903 CA LEU A 57 7.397 8.767 3.820 1.00 50.22 C ATOM 904 C LEU A 57 6.376 8.388 2.752 1.00 14.42 C ATOM 905 O LEU A 57 5.590 9.225 2.307 1.00 52.21 O ATOM 906 CB LEU A 57 8.638 9.374 3.163 1.00 55.50 C ATOM 907 CG LEU A 57 8.379 10.403 2.062 1.00 53.11 C ATOM 908 CD1 LEU A 57 7.666 11.622 2.628 1.00 21.51 C ATOM 909 CD2 LEU A 57 9.684 10.810 1.394 1.00 62.10 C ATOM 0 H LEU A 57 8.658 7.181 4.363 1.00 42.31 H new ATOM 0 HA LEU A 57 6.946 9.506 4.482 1.00 50.22 H new ATOM 0 HB2 LEU A 57 9.241 9.846 3.939 1.00 55.50 H new ATOM 0 HB3 LEU A 57 9.235 8.564 2.743 1.00 55.50 H new ATOM 0 HG LEU A 57 7.736 9.947 1.310 1.00 53.11 H new ATOM 0 HD11 LEU A 57 7.490 12.344 1.830 1.00 21.51 H new ATOM 0 HD12 LEU A 57 6.712 11.318 3.059 1.00 21.51 H new ATOM 0 HD13 LEU A 57 8.284 12.079 3.401 1.00 21.51 H new ATOM 0 HD21 LEU A 57 9.480 11.543 0.613 1.00 62.10 H new ATOM 0 HD22 LEU A 57 10.352 11.247 2.136 1.00 62.10 H new ATOM 0 HD23 LEU A 57 10.156 9.932 0.953 1.00 62.10 H new ATOM 921 N ILE A 58 6.393 7.123 2.346 1.00 21.33 N ATOM 922 CA ILE A 58 5.465 6.634 1.334 1.00 64.43 C ATOM 923 C ILE A 58 4.155 6.174 1.964 1.00 52.55 C ATOM 924 O ILE A 58 3.074 6.591 1.545 1.00 33.45 O ATOM 925 CB ILE A 58 6.073 5.467 0.532 1.00 61.22 C ATOM 926 CG1 ILE A 58 7.358 5.914 -0.168 1.00 70.21 C ATOM 927 CG2 ILE A 58 5.068 4.940 -0.480 1.00 53.21 C ATOM 928 CD1 ILE A 58 8.443 4.861 -0.169 1.00 45.31 C ATOM 0 H ILE A 58 7.039 6.418 2.702 1.00 21.33 H new ATOM 0 HA ILE A 58 5.267 7.466 0.659 1.00 64.43 H new ATOM 0 HB ILE A 58 6.320 4.661 1.223 1.00 61.22 H new ATOM 0 HG12 ILE A 58 7.126 6.186 -1.198 1.00 70.21 H new ATOM 0 HG13 ILE A 58 7.735 6.812 0.321 1.00 70.21 H new ATOM 0 HG21 ILE A 58 5.512 4.116 -1.039 1.00 53.21 H new ATOM 0 HG22 ILE A 58 4.178 4.587 0.041 1.00 53.21 H new ATOM 0 HG23 ILE A 58 4.792 5.739 -1.169 1.00 53.21 H new ATOM 0 HD11 ILE A 58 9.324 5.247 -0.682 1.00 45.31 H new ATOM 0 HD12 ILE A 58 8.704 4.606 0.858 1.00 45.31 H new ATOM 0 HD13 ILE A 58 8.085 3.970 -0.684 1.00 45.31 H new ATOM 940 N LEU A 59 4.259 5.317 2.973 1.00 73.21 N ATOM 941 CA LEU A 59 3.080 4.802 3.663 1.00 43.31 C ATOM 942 C LEU A 59 2.252 5.942 4.249 1.00 63.23 C ATOM 943 O LEU A 59 1.034 5.830 4.383 1.00 11.41 O ATOM 944 CB LEU A 59 3.497 3.836 4.774 1.00 50.42 C ATOM 945 CG LEU A 59 4.284 2.603 4.329 1.00 30.30 C ATOM 946 CD1 LEU A 59 4.741 1.799 5.536 1.00 65.13 C ATOM 947 CD2 LEU A 59 3.444 1.741 3.399 1.00 54.12 C ATOM 0 H LEU A 59 5.146 4.964 3.332 1.00 73.21 H new ATOM 0 HA LEU A 59 2.467 4.268 2.937 1.00 43.31 H new ATOM 0 HB2 LEU A 59 4.099 4.385 5.499 1.00 50.42 H new ATOM 0 HB3 LEU A 59 2.599 3.502 5.294 1.00 50.42 H new ATOM 0 HG LEU A 59 5.167 2.936 3.784 1.00 30.30 H new ATOM 0 HD11 LEU A 59 5.300 0.925 5.201 1.00 65.13 H new ATOM 0 HD12 LEU A 59 5.380 2.419 6.165 1.00 65.13 H new ATOM 0 HD13 LEU A 59 3.871 1.476 6.109 1.00 65.13 H new ATOM 0 HD21 LEU A 59 4.020 0.868 3.092 1.00 54.12 H new ATOM 0 HD22 LEU A 59 2.543 1.416 3.919 1.00 54.12 H new ATOM 0 HD23 LEU A 59 3.166 2.320 2.518 1.00 54.12 H new ATOM 959 N SER A 60 2.921 7.037 4.593 1.00 21.53 N ATOM 960 CA SER A 60 2.247 8.196 5.167 1.00 72.24 C ATOM 961 C SER A 60 1.307 8.836 4.149 1.00 33.32 C ATOM 962 O SER A 60 0.096 8.905 4.364 1.00 63.41 O ATOM 963 CB SER A 60 3.274 9.224 5.645 1.00 11.14 C ATOM 964 OG SER A 60 2.635 10.355 6.214 1.00 3.12 O ATOM 0 H SER A 60 3.929 7.146 4.484 1.00 21.53 H new ATOM 0 HA SER A 60 1.657 7.858 6.019 1.00 72.24 H new ATOM 0 HB2 SER A 60 3.935 8.767 6.381 1.00 11.14 H new ATOM 0 HB3 SER A 60 3.897 9.537 4.807 1.00 11.14 H new ATOM 0 HG SER A 60 3.312 10.997 6.514 1.00 3.12 H new ATOM 970 N ARG A 61 1.873 9.301 3.041 1.00 52.14 N ATOM 971 CA ARG A 61 1.087 9.936 1.989 1.00 2.13 C ATOM 972 C ARG A 61 0.133 8.935 1.344 1.00 4.14 C ATOM 973 O ARG A 61 -0.970 9.291 0.930 1.00 2.33 O ATOM 974 CB ARG A 61 2.009 10.538 0.927 1.00 35.41 C ATOM 975 CG ARG A 61 2.408 11.976 1.211 1.00 42.43 C ATOM 976 CD ARG A 61 3.835 12.257 0.763 1.00 22.04 C ATOM 977 NE ARG A 61 3.878 13.067 -0.450 1.00 40.23 N ATOM 978 CZ ARG A 61 4.984 13.644 -0.910 1.00 30.23 C ATOM 979 NH1 ARG A 61 6.130 13.500 -0.259 1.00 22.52 N ATOM 980 NH2 ARG A 61 4.943 14.367 -2.021 1.00 0.11 N ATOM 0 H ARG A 61 2.873 9.250 2.848 1.00 52.14 H new ATOM 0 HA ARG A 61 0.497 10.733 2.441 1.00 2.13 H new ATOM 0 HB2 ARG A 61 2.909 9.928 0.852 1.00 35.41 H new ATOM 0 HB3 ARG A 61 1.512 10.493 -0.042 1.00 35.41 H new ATOM 0 HG2 ARG A 61 1.724 12.653 0.698 1.00 42.43 H new ATOM 0 HG3 ARG A 61 2.314 12.177 2.278 1.00 42.43 H new ATOM 0 HD2 ARG A 61 4.371 12.771 1.561 1.00 22.04 H new ATOM 0 HD3 ARG A 61 4.352 11.314 0.588 1.00 22.04 H new ATOM 0 HE ARG A 61 3.012 13.198 -0.974 1.00 40.23 H new ATOM 0 HH11 ARG A 61 6.164 12.946 0.597 1.00 22.52 H new ATOM 0 HH12 ARG A 61 6.977 13.944 -0.614 1.00 22.52 H new ATOM 0 HH21 ARG A 61 4.063 14.481 -2.523 1.00 0.11 H new ATOM 0 HH22 ARG A 61 5.792 14.809 -2.373 1.00 0.11 H new ATOM 994 N MET A 62 0.567 7.681 1.260 1.00 2.23 N ATOM 995 CA MET A 62 -0.249 6.630 0.666 1.00 64.30 C ATOM 996 C MET A 62 -1.639 6.599 1.294 1.00 64.42 C ATOM 997 O MET A 62 -2.646 6.732 0.599 1.00 24.54 O ATOM 998 CB MET A 62 0.431 5.269 0.837 1.00 71.02 C ATOM 999 CG MET A 62 -0.316 4.127 0.168 1.00 13.30 C ATOM 1000 SD MET A 62 0.574 2.563 0.266 1.00 74.15 S ATOM 1001 CE MET A 62 -0.296 1.762 1.612 1.00 44.43 C ATOM 0 H MET A 62 1.478 7.369 1.596 1.00 2.23 H new ATOM 0 HA MET A 62 -0.355 6.845 -0.397 1.00 64.30 H new ATOM 0 HB2 MET A 62 1.439 5.322 0.427 1.00 71.02 H new ATOM 0 HB3 MET A 62 0.531 5.053 1.901 1.00 71.02 H new ATOM 0 HG2 MET A 62 -1.294 4.014 0.636 1.00 13.30 H new ATOM 0 HG3 MET A 62 -0.491 4.376 -0.879 1.00 13.30 H new ATOM 0 HE1 MET A 62 0.184 0.811 1.841 1.00 44.43 H new ATOM 0 HE2 MET A 62 -0.271 2.402 2.494 1.00 44.43 H new ATOM 0 HE3 MET A 62 -1.332 1.585 1.322 1.00 44.43 H new ATOM 1011 N ASN A 63 -1.684 6.422 2.610 1.00 15.03 N ATOM 1012 CA ASN A 63 -2.952 6.373 3.331 1.00 64.25 C ATOM 1013 C ASN A 63 -3.796 7.608 3.031 1.00 60.22 C ATOM 1014 O ASN A 63 -5.022 7.529 2.941 1.00 31.51 O ATOM 1015 CB ASN A 63 -2.703 6.266 4.836 1.00 64.45 C ATOM 1016 CG ASN A 63 -1.679 5.201 5.177 1.00 24.33 C ATOM 1017 OD1 ASN A 63 -1.449 4.273 4.402 1.00 70.40 O ATOM 1018 ND2 ASN A 63 -1.057 5.330 6.345 1.00 54.31 N ATOM 0 H ASN A 63 -0.859 6.310 3.199 1.00 15.03 H new ATOM 0 HA ASN A 63 -3.498 5.491 2.996 1.00 64.25 H new ATOM 0 HB2 ASN A 63 -2.361 7.229 5.215 1.00 64.45 H new ATOM 0 HB3 ASN A 63 -3.642 6.039 5.342 1.00 64.45 H new ATOM 0 HD21 ASN A 63 -0.358 4.644 6.629 1.00 54.31 H new ATOM 0 HD22 ASN A 63 -1.279 6.115 6.957 1.00 54.31 H new ATOM 1025 N LEU A 64 -3.133 8.748 2.875 1.00 1.23 N ATOM 1026 CA LEU A 64 -3.821 10.001 2.584 1.00 71.43 C ATOM 1027 C LEU A 64 -4.368 10.003 1.160 1.00 11.51 C ATOM 1028 O LEU A 64 -5.339 10.697 0.858 1.00 4.43 O ATOM 1029 CB LEU A 64 -2.873 11.185 2.781 1.00 73.10 C ATOM 1030 CG LEU A 64 -2.214 11.295 4.156 1.00 23.13 C ATOM 1031 CD1 LEU A 64 -0.948 12.133 4.076 1.00 44.44 C ATOM 1032 CD2 LEU A 64 -3.184 11.887 5.167 1.00 13.34 C ATOM 0 H LEU A 64 -2.119 8.831 2.945 1.00 1.23 H new ATOM 0 HA LEU A 64 -4.658 10.096 3.275 1.00 71.43 H new ATOM 0 HB2 LEU A 64 -2.088 11.125 2.028 1.00 73.10 H new ATOM 0 HB3 LEU A 64 -3.427 12.104 2.591 1.00 73.10 H new ATOM 0 HG LEU A 64 -1.942 10.293 4.488 1.00 23.13 H new ATOM 0 HD11 LEU A 64 -0.493 12.200 5.064 1.00 44.44 H new ATOM 0 HD12 LEU A 64 -0.246 11.667 3.384 1.00 44.44 H new ATOM 0 HD13 LEU A 64 -1.196 13.134 3.722 1.00 44.44 H new ATOM 0 HD21 LEU A 64 -2.697 11.958 6.140 1.00 13.34 H new ATOM 0 HD22 LEU A 64 -3.488 12.881 4.840 1.00 13.34 H new ATOM 0 HD23 LEU A 64 -4.063 11.247 5.246 1.00 13.34 H new ATOM 1044 N ASP A 65 -3.740 9.222 0.289 1.00 25.43 N ATOM 1045 CA ASP A 65 -4.164 9.131 -1.102 1.00 52.44 C ATOM 1046 C ASP A 65 -5.267 8.090 -1.268 1.00 2.51 C ATOM 1047 O ASP A 65 -6.333 8.382 -1.811 1.00 72.12 O ATOM 1048 CB ASP A 65 -2.977 8.780 -1.999 1.00 45.43 C ATOM 1049 CG ASP A 65 -3.189 9.210 -3.437 1.00 53.21 C ATOM 1050 OD1 ASP A 65 -4.313 9.644 -3.768 1.00 31.54 O ATOM 1051 OD2 ASP A 65 -2.231 9.115 -4.232 1.00 73.14 O ATOM 0 H ASP A 65 -2.934 8.642 0.522 1.00 25.43 H new ATOM 0 HA ASP A 65 -4.558 10.103 -1.398 1.00 52.44 H new ATOM 0 HB2 ASP A 65 -2.078 9.257 -1.609 1.00 45.43 H new ATOM 0 HB3 ASP A 65 -2.807 7.704 -1.966 1.00 45.43 H new ATOM 1056 N ILE A 66 -5.003 6.876 -0.795 1.00 53.42 N ATOM 1057 CA ILE A 66 -5.973 5.793 -0.891 1.00 53.04 C ATOM 1058 C ILE A 66 -7.291 6.175 -0.226 1.00 20.31 C ATOM 1059 O ILE A 66 -8.360 6.043 -0.822 1.00 34.11 O ATOM 1060 CB ILE A 66 -5.440 4.501 -0.244 1.00 63.44 C ATOM 1061 CG1 ILE A 66 -4.089 4.121 -0.852 1.00 62.44 C ATOM 1062 CG2 ILE A 66 -6.442 3.370 -0.416 1.00 71.40 C ATOM 1063 CD1 ILE A 66 -3.477 2.881 -0.236 1.00 44.52 C ATOM 0 H ILE A 66 -4.126 6.619 -0.342 1.00 53.42 H new ATOM 0 HA ILE A 66 -6.143 5.615 -1.953 1.00 53.04 H new ATOM 0 HB ILE A 66 -5.301 4.677 0.823 1.00 63.44 H new ATOM 0 HG12 ILE A 66 -4.214 3.961 -1.923 1.00 62.44 H new ATOM 0 HG13 ILE A 66 -3.398 4.955 -0.732 1.00 62.44 H new ATOM 0 HG21 ILE A 66 -6.051 2.464 0.046 1.00 71.40 H new ATOM 0 HG22 ILE A 66 -7.384 3.643 0.060 1.00 71.40 H new ATOM 0 HG23 ILE A 66 -6.611 3.192 -1.478 1.00 71.40 H new ATOM 0 HD11 ILE A 66 -2.521 2.671 -0.715 1.00 44.52 H new ATOM 0 HD12 ILE A 66 -3.320 3.044 0.830 1.00 44.52 H new ATOM 0 HD13 ILE A 66 -4.148 2.034 -0.379 1.00 44.52 H new ATOM 1075 N SER A 67 -7.207 6.650 1.013 1.00 52.45 N ATOM 1076 CA SER A 67 -8.393 7.050 1.760 1.00 34.45 C ATOM 1077 C SER A 67 -9.211 8.072 0.976 1.00 2.23 C ATOM 1078 O SER A 67 -10.439 8.096 1.057 1.00 41.32 O ATOM 1079 CB SER A 67 -7.994 7.631 3.118 1.00 3.44 C ATOM 1080 OG SER A 67 -9.118 8.176 3.790 1.00 63.43 O ATOM 0 H SER A 67 -6.330 6.767 1.520 1.00 52.45 H new ATOM 0 HA SER A 67 -9.008 6.164 1.919 1.00 34.45 H new ATOM 0 HB2 SER A 67 -7.542 6.852 3.732 1.00 3.44 H new ATOM 0 HB3 SER A 67 -7.239 8.405 2.978 1.00 3.44 H new ATOM 0 HG SER A 67 -8.837 8.539 4.656 1.00 63.43 H new ATOM 1086 N LYS A 68 -8.520 8.917 0.219 1.00 44.15 N ATOM 1087 CA LYS A 68 -9.178 9.942 -0.582 1.00 33.15 C ATOM 1088 C LYS A 68 -9.895 9.322 -1.777 1.00 75.30 C ATOM 1089 O LYS A 68 -11.025 9.692 -2.096 1.00 1.54 O ATOM 1090 CB LYS A 68 -8.157 10.975 -1.066 1.00 34.33 C ATOM 1091 CG LYS A 68 -8.209 12.286 -0.300 1.00 55.25 C ATOM 1092 CD LYS A 68 -7.122 13.243 -0.759 1.00 72.04 C ATOM 1093 CE LYS A 68 -7.520 13.965 -2.037 1.00 45.44 C ATOM 1094 NZ LYS A 68 -7.089 13.221 -3.253 1.00 31.03 N ATOM 0 H LYS A 68 -7.503 8.912 0.143 1.00 44.15 H new ATOM 0 HA LYS A 68 -9.918 10.438 0.046 1.00 33.15 H new ATOM 0 HB2 LYS A 68 -7.156 10.553 -0.979 1.00 34.33 H new ATOM 0 HB3 LYS A 68 -8.328 11.175 -2.124 1.00 34.33 H new ATOM 0 HG2 LYS A 68 -9.186 12.750 -0.437 1.00 55.25 H new ATOM 0 HG3 LYS A 68 -8.096 12.090 0.766 1.00 55.25 H new ATOM 0 HD2 LYS A 68 -6.923 13.973 0.026 1.00 72.04 H new ATOM 0 HD3 LYS A 68 -6.196 12.692 -0.924 1.00 72.04 H new ATOM 0 HE2 LYS A 68 -8.602 14.098 -2.057 1.00 45.44 H new ATOM 0 HE3 LYS A 68 -7.077 14.961 -2.045 1.00 45.44 H new ATOM 0 HZ1 LYS A 68 -6.406 13.795 -3.787 1.00 31.03 H new ATOM 0 HZ2 LYS A 68 -6.643 12.325 -2.972 1.00 31.03 H new ATOM 0 HZ3 LYS A 68 -7.917 13.023 -3.851 1.00 31.03 H new ATOM 1108 N ALA A 69 -9.232 8.376 -2.433 1.00 32.32 N ATOM 1109 CA ALA A 69 -9.808 7.701 -3.590 1.00 52.42 C ATOM 1110 C ALA A 69 -11.135 7.039 -3.236 1.00 31.25 C ATOM 1111 O ALA A 69 -11.951 6.755 -4.112 1.00 75.12 O ATOM 1112 CB ALA A 69 -8.833 6.673 -4.142 1.00 0.10 C ATOM 0 H ALA A 69 -8.295 8.059 -2.183 1.00 32.32 H new ATOM 0 HA ALA A 69 -10.000 8.451 -4.358 1.00 52.42 H new ATOM 0 HB1 ALA A 69 -9.277 6.177 -5.005 1.00 0.10 H new ATOM 0 HB2 ALA A 69 -7.911 7.171 -4.444 1.00 0.10 H new ATOM 0 HB3 ALA A 69 -8.611 5.933 -3.373 1.00 0.10 H new ATOM 1118 N ILE A 70 -11.342 6.794 -1.946 1.00 33.33 N ATOM 1119 CA ILE A 70 -12.571 6.164 -1.477 1.00 4.53 C ATOM 1120 C ILE A 70 -13.781 7.055 -1.742 1.00 24.45 C ATOM 1121 O ILE A 70 -14.608 6.754 -2.602 1.00 72.13 O ATOM 1122 CB ILE A 70 -12.500 5.847 0.029 1.00 11.33 C ATOM 1123 CG1 ILE A 70 -11.168 5.176 0.369 1.00 21.32 C ATOM 1124 CG2 ILE A 70 -13.667 4.960 0.438 1.00 70.23 C ATOM 1125 CD1 ILE A 70 -11.097 4.659 1.789 1.00 33.34 C ATOM 0 H ILE A 70 -10.676 7.022 -1.208 1.00 33.33 H new ATOM 0 HA ILE A 70 -12.681 5.232 -2.032 1.00 4.53 H new ATOM 0 HB ILE A 70 -12.566 6.781 0.586 1.00 11.33 H new ATOM 0 HG12 ILE A 70 -11.002 4.347 -0.319 1.00 21.32 H new ATOM 0 HG13 ILE A 70 -10.360 5.890 0.210 1.00 21.32 H new ATOM 0 HG21 ILE A 70 -13.604 4.744 1.505 1.00 70.23 H new ATOM 0 HG22 ILE A 70 -14.605 5.473 0.227 1.00 70.23 H new ATOM 0 HG23 ILE A 70 -13.629 4.027 -0.124 1.00 70.23 H new ATOM 0 HD11 ILE A 70 -10.125 4.196 1.959 1.00 33.34 H new ATOM 0 HD12 ILE A 70 -11.232 5.487 2.485 1.00 33.34 H new ATOM 0 HD13 ILE A 70 -11.883 3.921 1.947 1.00 33.34 H new ATOM 1137 N ARG A 71 -13.875 8.151 -0.997 1.00 34.14 N ATOM 1138 CA ARG A 71 -14.984 9.086 -1.151 1.00 30.31 C ATOM 1139 C ARG A 71 -15.005 9.676 -2.558 1.00 51.24 C ATOM 1140 O ARG A 71 -16.049 9.723 -3.206 1.00 73.00 O ATOM 1141 CB ARG A 71 -14.881 10.207 -0.116 1.00 52.34 C ATOM 1142 CG ARG A 71 -13.542 10.928 -0.130 1.00 72.34 C ATOM 1143 CD ARG A 71 -13.197 11.488 1.240 1.00 0.30 C ATOM 1144 NE ARG A 71 -13.869 12.760 1.496 1.00 23.01 N ATOM 1145 CZ ARG A 71 -13.624 13.519 2.558 1.00 53.10 C ATOM 1146 NH1 ARG A 71 -12.728 13.138 3.458 1.00 31.13 N ATOM 1147 NH2 ARG A 71 -14.276 14.664 2.722 1.00 74.41 N ATOM 0 H ARG A 71 -13.198 8.414 -0.281 1.00 34.14 H new ATOM 0 HA ARG A 71 -15.913 8.539 -0.991 1.00 30.31 H new ATOM 0 HB2 ARG A 71 -15.676 10.931 -0.296 1.00 52.34 H new ATOM 0 HB3 ARG A 71 -15.049 9.790 0.877 1.00 52.34 H new ATOM 0 HG2 ARG A 71 -12.760 10.239 -0.450 1.00 72.34 H new ATOM 0 HG3 ARG A 71 -13.571 11.738 -0.859 1.00 72.34 H new ATOM 0 HD2 ARG A 71 -13.479 10.768 2.008 1.00 0.30 H new ATOM 0 HD3 ARG A 71 -12.118 11.626 1.314 1.00 0.30 H new ATOM 0 HE ARG A 71 -14.564 13.083 0.823 1.00 23.01 H new ATOM 0 HH11 ARG A 71 -12.224 12.259 3.336 1.00 31.13 H new ATOM 0 HH12 ARG A 71 -12.542 13.723 4.272 1.00 31.13 H new ATOM 0 HH21 ARG A 71 -14.966 14.961 2.032 1.00 74.41 H new ATOM 0 HH22 ARG A 71 -14.087 15.246 3.538 1.00 74.41 H new ATOM 1161 N ASN A 72 -13.844 10.126 -3.022 1.00 52.32 N ATOM 1162 CA ASN A 72 -13.729 10.715 -4.352 1.00 72.32 C ATOM 1163 C ASN A 72 -14.273 9.766 -5.416 1.00 74.22 C ATOM 1164 O ASN A 72 -15.377 9.956 -5.925 1.00 34.23 O ATOM 1165 CB ASN A 72 -12.270 11.057 -4.657 1.00 2.44 C ATOM 1166 CG ASN A 72 -11.882 12.435 -4.152 1.00 62.53 C ATOM 1167 OD1 ASN A 72 -11.744 13.377 -4.932 1.00 64.33 O ATOM 1168 ND2 ASN A 72 -11.703 12.555 -2.842 1.00 13.54 N ATOM 0 H ASN A 72 -12.970 10.094 -2.498 1.00 52.32 H new ATOM 0 HA ASN A 72 -14.321 11.630 -4.369 1.00 72.32 H new ATOM 0 HB2 ASN A 72 -11.621 10.310 -4.200 1.00 2.44 H new ATOM 0 HB3 ASN A 72 -12.105 11.008 -5.733 1.00 2.44 H new ATOM 0 HD21 ASN A 72 -11.440 13.456 -2.444 1.00 13.54 H new ATOM 0 HD22 ASN A 72 -11.829 11.746 -2.234 1.00 13.54 H new ATOM 1175 N ASP A 73 -13.490 8.745 -5.746 1.00 52.31 N ATOM 1176 CA ASP A 73 -13.893 7.766 -6.748 1.00 22.50 C ATOM 1177 C ASP A 73 -15.257 7.171 -6.409 1.00 43.43 C ATOM 1178 O ASP A 73 -16.180 7.205 -7.223 1.00 44.53 O ATOM 1179 CB ASP A 73 -12.850 6.652 -6.852 1.00 11.12 C ATOM 1180 CG ASP A 73 -12.837 5.997 -8.219 1.00 61.33 C ATOM 1181 OD1 ASP A 73 -13.920 5.871 -8.827 1.00 74.00 O ATOM 1182 OD2 ASP A 73 -11.743 5.608 -8.682 1.00 31.15 O ATOM 0 H ASP A 73 -12.573 8.574 -5.334 1.00 52.31 H new ATOM 0 HA ASP A 73 -13.967 8.276 -7.709 1.00 22.50 H new ATOM 0 HB2 ASP A 73 -11.863 7.062 -6.639 1.00 11.12 H new ATOM 0 HB3 ASP A 73 -13.052 5.897 -6.092 1.00 11.12 H new ATOM 1187 N GLY A 74 -15.376 6.626 -5.203 1.00 33.34 N ATOM 1188 CA GLY A 74 -16.630 6.030 -4.779 1.00 12.51 C ATOM 1189 C GLY A 74 -16.528 4.528 -4.603 1.00 13.10 C ATOM 1190 O GLY A 74 -17.515 3.809 -4.765 1.00 62.02 O ATOM 0 H GLY A 74 -14.627 6.586 -4.512 1.00 33.34 H new ATOM 0 HA2 GLY A 74 -16.944 6.482 -3.838 1.00 12.51 H new ATOM 0 HA3 GLY A 74 -17.403 6.255 -5.514 1.00 12.51 H new ATOM 1194 N VAL A 75 -15.333 4.052 -4.271 1.00 43.23 N ATOM 1195 CA VAL A 75 -15.106 2.626 -4.073 1.00 60.24 C ATOM 1196 C VAL A 75 -15.597 2.176 -2.702 1.00 63.25 C ATOM 1197 O VAL A 75 -16.216 2.946 -1.967 1.00 55.24 O ATOM 1198 CB VAL A 75 -13.613 2.270 -4.215 1.00 34.31 C ATOM 1199 CG1 VAL A 75 -13.074 2.755 -5.551 1.00 43.44 C ATOM 1200 CG2 VAL A 75 -12.815 2.858 -3.063 1.00 2.32 C ATOM 0 H VAL A 75 -14.506 4.634 -4.133 1.00 43.23 H new ATOM 0 HA VAL A 75 -15.671 2.105 -4.846 1.00 60.24 H new ATOM 0 HB VAL A 75 -13.510 1.185 -4.182 1.00 34.31 H new ATOM 0 HG11 VAL A 75 -12.019 2.495 -5.634 1.00 43.44 H new ATOM 0 HG12 VAL A 75 -13.629 2.281 -6.361 1.00 43.44 H new ATOM 0 HG13 VAL A 75 -13.187 3.837 -5.618 1.00 43.44 H new ATOM 0 HG21 VAL A 75 -11.763 2.597 -3.179 1.00 2.32 H new ATOM 0 HG22 VAL A 75 -12.922 3.943 -3.063 1.00 2.32 H new ATOM 0 HG23 VAL A 75 -13.187 2.456 -2.120 1.00 2.32 H new ATOM 1210 N THR A 76 -15.314 0.923 -2.360 1.00 64.32 N ATOM 1211 CA THR A 76 -15.727 0.368 -1.077 1.00 42.42 C ATOM 1212 C THR A 76 -14.742 -0.690 -0.592 1.00 53.53 C ATOM 1213 O THR A 76 -14.413 -1.626 -1.322 1.00 23.12 O ATOM 1214 CB THR A 76 -17.133 -0.255 -1.159 1.00 54.24 C ATOM 1215 OG1 THR A 76 -17.952 0.503 -2.058 1.00 13.44 O ATOM 1216 CG2 THR A 76 -17.786 -0.302 0.213 1.00 1.34 C ATOM 0 H THR A 76 -14.800 0.273 -2.954 1.00 64.32 H new ATOM 0 HA THR A 76 -15.746 1.195 -0.368 1.00 42.42 H new ATOM 0 HB THR A 76 -17.033 -1.275 -1.530 1.00 54.24 H new ATOM 0 HG1 THR A 76 -18.844 0.100 -2.106 1.00 13.44 H new ATOM 0 HG21 THR A 76 -18.778 -0.746 0.129 1.00 1.34 H new ATOM 0 HG22 THR A 76 -17.175 -0.903 0.886 1.00 1.34 H new ATOM 0 HG23 THR A 76 -17.874 0.710 0.609 1.00 1.34 H new ATOM 1224 N LEU A 77 -14.276 -0.536 0.642 1.00 3.10 N ATOM 1225 CA LEU A 77 -13.328 -1.480 1.224 1.00 33.32 C ATOM 1226 C LEU A 77 -14.040 -2.742 1.700 1.00 23.51 C ATOM 1227 O LEU A 77 -15.164 -3.026 1.288 1.00 12.22 O ATOM 1228 CB LEU A 77 -12.583 -0.830 2.391 1.00 3.54 C ATOM 1229 CG LEU A 77 -12.320 0.671 2.268 1.00 12.13 C ATOM 1230 CD1 LEU A 77 -11.544 1.178 3.473 1.00 41.00 C ATOM 1231 CD2 LEU A 77 -11.570 0.977 0.980 1.00 24.23 C ATOM 0 H LEU A 77 -14.539 0.233 1.259 1.00 3.10 H new ATOM 0 HA LEU A 77 -12.610 -1.759 0.453 1.00 33.32 H new ATOM 0 HB2 LEU A 77 -13.154 -1.005 3.303 1.00 3.54 H new ATOM 0 HB3 LEU A 77 -11.626 -1.337 2.512 1.00 3.54 H new ATOM 0 HG LEU A 77 -13.280 1.187 2.237 1.00 12.13 H new ATOM 0 HD11 LEU A 77 -11.366 2.248 3.367 1.00 41.00 H new ATOM 0 HD12 LEU A 77 -12.119 0.993 4.380 1.00 41.00 H new ATOM 0 HD13 LEU A 77 -10.589 0.656 3.537 1.00 41.00 H new ATOM 0 HD21 LEU A 77 -11.391 2.050 0.909 1.00 24.23 H new ATOM 0 HD22 LEU A 77 -10.616 0.450 0.980 1.00 24.23 H new ATOM 0 HD23 LEU A 77 -12.165 0.651 0.127 1.00 24.23 H new ATOM 1243 N SER A 78 -13.377 -3.497 2.571 1.00 13.55 N ATOM 1244 CA SER A 78 -13.947 -4.729 3.103 1.00 64.01 C ATOM 1245 C SER A 78 -13.256 -5.130 4.403 1.00 22.52 C ATOM 1246 O SER A 78 -12.372 -4.426 4.892 1.00 33.21 O ATOM 1247 CB SER A 78 -13.820 -5.857 2.077 1.00 71.13 C ATOM 1248 OG SER A 78 -14.617 -6.971 2.443 1.00 42.32 O ATOM 0 H SER A 78 -12.445 -3.277 2.923 1.00 13.55 H new ATOM 0 HA SER A 78 -15.002 -4.553 3.312 1.00 64.01 H new ATOM 0 HB2 SER A 78 -14.124 -5.495 1.095 1.00 71.13 H new ATOM 0 HB3 SER A 78 -12.777 -6.163 1.995 1.00 71.13 H new ATOM 0 HG SER A 78 -14.520 -7.678 1.771 1.00 42.32 H new ATOM 1254 N ASP A 79 -13.665 -6.266 4.957 1.00 51.11 N ATOM 1255 CA ASP A 79 -13.087 -6.762 6.200 1.00 22.43 C ATOM 1256 C ASP A 79 -11.564 -6.811 6.110 1.00 54.32 C ATOM 1257 O ASP A 79 -10.870 -5.999 6.722 1.00 4.14 O ATOM 1258 CB ASP A 79 -13.635 -8.153 6.523 1.00 60.24 C ATOM 1259 CG ASP A 79 -13.113 -8.689 7.842 1.00 15.14 C ATOM 1260 OD1 ASP A 79 -13.459 -8.113 8.895 1.00 34.11 O ATOM 1261 OD2 ASP A 79 -12.362 -9.685 7.822 1.00 71.31 O ATOM 0 H ASP A 79 -14.395 -6.861 4.565 1.00 51.11 H new ATOM 0 HA ASP A 79 -13.364 -6.075 7.000 1.00 22.43 H new ATOM 0 HB2 ASP A 79 -14.724 -8.113 6.556 1.00 60.24 H new ATOM 0 HB3 ASP A 79 -13.365 -8.842 5.722 1.00 60.24 H new ATOM 1266 N TYR A 80 -11.053 -7.767 5.343 1.00 25.31 N ATOM 1267 CA TYR A 80 -9.612 -7.923 5.175 1.00 4.35 C ATOM 1268 C TYR A 80 -8.970 -6.612 4.733 1.00 5.15 C ATOM 1269 O TYR A 80 -7.863 -6.278 5.155 1.00 42.32 O ATOM 1270 CB TYR A 80 -9.313 -9.021 4.154 1.00 43.43 C ATOM 1271 CG TYR A 80 -9.776 -8.687 2.753 1.00 24.44 C ATOM 1272 CD1 TYR A 80 -11.075 -8.964 2.346 1.00 72.43 C ATOM 1273 CD2 TYR A 80 -8.915 -8.094 1.839 1.00 73.43 C ATOM 1274 CE1 TYR A 80 -11.502 -8.663 1.068 1.00 12.30 C ATOM 1275 CE2 TYR A 80 -9.334 -7.787 0.558 1.00 1.23 C ATOM 1276 CZ TYR A 80 -10.628 -8.074 0.177 1.00 4.54 C ATOM 1277 OH TYR A 80 -11.050 -7.769 -1.096 1.00 75.43 O ATOM 0 H TYR A 80 -11.614 -8.445 4.828 1.00 25.31 H new ATOM 0 HA TYR A 80 -9.188 -8.207 6.138 1.00 4.35 H new ATOM 0 HB2 TYR A 80 -8.239 -9.208 4.138 1.00 43.43 H new ATOM 0 HB3 TYR A 80 -9.793 -9.945 4.476 1.00 43.43 H new ATOM 0 HD1 TYR A 80 -11.763 -9.423 3.041 1.00 72.43 H new ATOM 0 HD2 TYR A 80 -7.901 -7.869 2.134 1.00 73.43 H new ATOM 0 HE1 TYR A 80 -12.515 -8.887 0.767 1.00 12.30 H new ATOM 0 HE2 TYR A 80 -8.652 -7.325 -0.140 1.00 1.23 H new ATOM 0 HH TYR A 80 -10.313 -7.358 -1.595 1.00 75.43 H new ATOM 1287 N GLN A 81 -9.674 -5.873 3.881 1.00 25.52 N ATOM 1288 CA GLN A 81 -9.173 -4.599 3.381 1.00 44.52 C ATOM 1289 C GLN A 81 -8.933 -3.621 4.527 1.00 22.14 C ATOM 1290 O GLN A 81 -7.791 -3.353 4.899 1.00 5.11 O ATOM 1291 CB GLN A 81 -10.160 -3.997 2.379 1.00 0.32 C ATOM 1292 CG GLN A 81 -9.745 -4.185 0.929 1.00 50.21 C ATOM 1293 CD GLN A 81 -10.081 -2.985 0.065 1.00 21.54 C ATOM 1294 OE1 GLN A 81 -10.331 -1.891 0.572 1.00 22.02 O ATOM 1295 NE2 GLN A 81 -10.089 -3.184 -1.247 1.00 60.01 N ATOM 0 H GLN A 81 -10.593 -6.135 3.523 1.00 25.52 H new ATOM 0 HA GLN A 81 -8.223 -4.782 2.879 1.00 44.52 H new ATOM 0 HB2 GLN A 81 -11.140 -4.450 2.530 1.00 0.32 H new ATOM 0 HB3 GLN A 81 -10.267 -2.932 2.582 1.00 0.32 H new ATOM 0 HG2 GLN A 81 -8.672 -4.372 0.884 1.00 50.21 H new ATOM 0 HG3 GLN A 81 -10.240 -5.068 0.525 1.00 50.21 H new ATOM 0 HE21 GLN A 81 -9.876 -4.107 -1.624 1.00 60.01 H new ATOM 0 HE22 GLN A 81 -10.308 -2.414 -1.878 1.00 60.01 H new ATOM 1304 N SER A 82 -10.019 -3.090 5.082 1.00 64.35 N ATOM 1305 CA SER A 82 -9.925 -2.138 6.183 1.00 13.21 C ATOM 1306 C SER A 82 -9.005 -2.664 7.280 1.00 12.25 C ATOM 1307 O SER A 82 -8.313 -1.896 7.949 1.00 52.40 O ATOM 1308 CB SER A 82 -11.314 -1.856 6.759 1.00 10.02 C ATOM 1309 OG SER A 82 -11.299 -0.706 7.587 1.00 1.20 O ATOM 0 H SER A 82 -10.972 -3.303 4.788 1.00 64.35 H new ATOM 0 HA SER A 82 -9.504 -1.211 5.794 1.00 13.21 H new ATOM 0 HB2 SER A 82 -12.026 -1.713 5.946 1.00 10.02 H new ATOM 0 HB3 SER A 82 -11.655 -2.717 7.334 1.00 10.02 H new ATOM 0 HG SER A 82 -12.199 -0.546 7.941 1.00 1.20 H new ATOM 1315 N LYS A 83 -9.002 -3.981 7.459 1.00 5.14 N ATOM 1316 CA LYS A 83 -8.165 -4.612 8.474 1.00 33.33 C ATOM 1317 C LYS A 83 -6.687 -4.463 8.131 1.00 20.24 C ATOM 1318 O LYS A 83 -5.893 -4.002 8.951 1.00 64.15 O ATOM 1319 CB LYS A 83 -8.522 -6.095 8.607 1.00 51.44 C ATOM 1320 CG LYS A 83 -9.756 -6.351 9.455 1.00 43.41 C ATOM 1321 CD LYS A 83 -10.193 -7.804 9.381 1.00 43.15 C ATOM 1322 CE LYS A 83 -9.198 -8.721 10.076 1.00 53.01 C ATOM 1323 NZ LYS A 83 -8.095 -9.135 9.165 1.00 24.03 N ATOM 0 H LYS A 83 -9.569 -4.632 6.915 1.00 5.14 H new ATOM 0 HA LYS A 83 -8.350 -4.112 9.425 1.00 33.33 H new ATOM 0 HB2 LYS A 83 -8.682 -6.512 7.613 1.00 51.44 H new ATOM 0 HB3 LYS A 83 -7.676 -6.626 9.043 1.00 51.44 H new ATOM 0 HG2 LYS A 83 -9.548 -6.085 10.491 1.00 43.41 H new ATOM 0 HG3 LYS A 83 -10.569 -5.708 9.118 1.00 43.41 H new ATOM 0 HD2 LYS A 83 -11.174 -7.914 9.842 1.00 43.15 H new ATOM 0 HD3 LYS A 83 -10.296 -8.101 8.337 1.00 43.15 H new ATOM 0 HE2 LYS A 83 -8.780 -8.212 10.944 1.00 53.01 H new ATOM 0 HE3 LYS A 83 -9.716 -9.606 10.445 1.00 53.01 H new ATOM 0 HZ1 LYS A 83 -7.971 -10.166 9.216 1.00 24.03 H new ATOM 0 HZ2 LYS A 83 -8.330 -8.862 8.189 1.00 24.03 H new ATOM 0 HZ3 LYS A 83 -7.213 -8.666 9.453 1.00 24.03 H new ATOM 1337 N LYS A 84 -6.324 -4.855 6.914 1.00 63.02 N ATOM 1338 CA LYS A 84 -4.941 -4.762 6.461 1.00 11.31 C ATOM 1339 C LYS A 84 -4.438 -3.324 6.538 1.00 32.11 C ATOM 1340 O LYS A 84 -3.233 -3.079 6.606 1.00 75.43 O ATOM 1341 CB LYS A 84 -4.817 -5.281 5.026 1.00 42.30 C ATOM 1342 CG LYS A 84 -4.983 -4.200 3.972 1.00 11.52 C ATOM 1343 CD LYS A 84 -3.644 -3.607 3.567 1.00 55.24 C ATOM 1344 CE LYS A 84 -3.794 -2.175 3.075 1.00 12.33 C ATOM 1345 NZ LYS A 84 -2.903 -1.890 1.916 1.00 20.23 N ATOM 0 H LYS A 84 -6.969 -5.240 6.224 1.00 63.02 H new ATOM 0 HA LYS A 84 -4.328 -5.378 7.118 1.00 11.31 H new ATOM 0 HB2 LYS A 84 -3.842 -5.751 4.902 1.00 42.30 H new ATOM 0 HB3 LYS A 84 -5.567 -6.055 4.862 1.00 42.30 H new ATOM 0 HG2 LYS A 84 -5.477 -4.618 3.095 1.00 11.52 H new ATOM 0 HG3 LYS A 84 -5.630 -3.412 4.357 1.00 11.52 H new ATOM 0 HD2 LYS A 84 -2.962 -3.631 4.417 1.00 55.24 H new ATOM 0 HD3 LYS A 84 -3.197 -4.217 2.782 1.00 55.24 H new ATOM 0 HE2 LYS A 84 -4.830 -1.996 2.789 1.00 12.33 H new ATOM 0 HE3 LYS A 84 -3.564 -1.486 3.888 1.00 12.33 H new ATOM 0 HZ1 LYS A 84 -3.130 -0.953 1.525 1.00 20.23 H new ATOM 0 HZ2 LYS A 84 -1.911 -1.903 2.229 1.00 20.23 H new ATOM 0 HZ3 LYS A 84 -3.044 -2.614 1.183 1.00 20.23 H new ATOM 1359 N LEU A 85 -5.369 -2.376 6.528 1.00 1.24 N ATOM 1360 CA LEU A 85 -5.020 -0.961 6.599 1.00 63.10 C ATOM 1361 C LEU A 85 -4.286 -0.645 7.899 1.00 41.15 C ATOM 1362 O LEU A 85 -3.455 0.262 7.951 1.00 73.43 O ATOM 1363 CB LEU A 85 -6.279 -0.099 6.489 1.00 2.23 C ATOM 1364 CG LEU A 85 -6.257 0.987 5.413 1.00 52.32 C ATOM 1365 CD1 LEU A 85 -7.665 1.491 5.135 1.00 4.42 C ATOM 1366 CD2 LEU A 85 -5.350 2.134 5.832 1.00 42.32 C ATOM 0 H LEU A 85 -6.370 -2.561 6.471 1.00 1.24 H new ATOM 0 HA LEU A 85 -4.357 -0.734 5.764 1.00 63.10 H new ATOM 0 HB2 LEU A 85 -7.128 -0.755 6.298 1.00 2.23 H new ATOM 0 HB3 LEU A 85 -6.455 0.377 7.454 1.00 2.23 H new ATOM 0 HG LEU A 85 -5.861 0.554 4.494 1.00 52.32 H new ATOM 0 HD11 LEU A 85 -7.630 2.263 4.367 1.00 4.42 H new ATOM 0 HD12 LEU A 85 -8.286 0.664 4.790 1.00 4.42 H new ATOM 0 HD13 LEU A 85 -8.090 1.907 6.049 1.00 4.42 H new ATOM 0 HD21 LEU A 85 -5.346 2.898 5.054 1.00 42.32 H new ATOM 0 HD22 LEU A 85 -5.716 2.566 6.763 1.00 42.32 H new ATOM 0 HD23 LEU A 85 -4.336 1.761 5.979 1.00 42.32 H new ATOM 1378 N LYS A 86 -4.596 -1.401 8.946 1.00 34.20 N ATOM 1379 CA LYS A 86 -3.964 -1.205 10.246 1.00 12.10 C ATOM 1380 C LYS A 86 -2.510 -1.666 10.218 1.00 52.22 C ATOM 1381 O LYS A 86 -1.766 -1.455 11.175 1.00 70.01 O ATOM 1382 CB LYS A 86 -4.731 -1.967 11.329 1.00 51.04 C ATOM 1383 CG LYS A 86 -4.409 -3.451 11.373 1.00 61.21 C ATOM 1384 CD LYS A 86 -5.604 -4.268 11.830 1.00 35.41 C ATOM 1385 CE LYS A 86 -5.789 -4.191 13.338 1.00 24.22 C ATOM 1386 NZ LYS A 86 -4.887 -5.134 14.056 1.00 34.41 N ATOM 0 H LYS A 86 -5.282 -2.156 8.920 1.00 34.20 H new ATOM 0 HA LYS A 86 -3.985 -0.140 10.476 1.00 12.10 H new ATOM 0 HB2 LYS A 86 -4.506 -1.526 12.300 1.00 51.04 H new ATOM 0 HB3 LYS A 86 -5.801 -1.841 11.162 1.00 51.04 H new ATOM 0 HG2 LYS A 86 -4.095 -3.785 10.384 1.00 61.21 H new ATOM 0 HG3 LYS A 86 -3.571 -3.622 12.048 1.00 61.21 H new ATOM 0 HD2 LYS A 86 -6.504 -3.907 11.333 1.00 35.41 H new ATOM 0 HD3 LYS A 86 -5.471 -5.308 11.531 1.00 35.41 H new ATOM 0 HE2 LYS A 86 -5.594 -3.173 13.676 1.00 24.22 H new ATOM 0 HE3 LYS A 86 -6.825 -4.417 13.589 1.00 24.22 H new ATOM 0 HZ1 LYS A 86 -5.043 -5.051 15.081 1.00 34.41 H new ATOM 0 HZ2 LYS A 86 -5.090 -6.108 13.752 1.00 34.41 H new ATOM 0 HZ3 LYS A 86 -3.897 -4.902 13.837 1.00 34.41 H new ATOM 1400 N GLU A 87 -2.114 -2.293 9.116 1.00 74.45 N ATOM 1401 CA GLU A 87 -0.749 -2.782 8.965 1.00 24.32 C ATOM 1402 C GLU A 87 0.240 -1.622 8.891 1.00 50.20 C ATOM 1403 O GLU A 87 0.904 -1.293 9.875 1.00 12.32 O ATOM 1404 CB GLU A 87 -0.629 -3.649 7.710 1.00 60.34 C ATOM 1405 CG GLU A 87 -1.401 -4.955 7.796 1.00 2.03 C ATOM 1406 CD GLU A 87 -0.642 -6.032 8.548 1.00 31.11 C ATOM 1407 OE1 GLU A 87 -0.685 -6.025 9.796 1.00 2.10 O ATOM 1408 OE2 GLU A 87 -0.007 -6.881 7.889 1.00 31.23 O ATOM 0 H GLU A 87 -2.718 -2.474 8.315 1.00 74.45 H new ATOM 0 HA GLU A 87 -0.509 -3.387 9.840 1.00 24.32 H new ATOM 0 HB2 GLU A 87 -0.987 -3.081 6.851 1.00 60.34 H new ATOM 0 HB3 GLU A 87 0.423 -3.870 7.531 1.00 60.34 H new ATOM 0 HG2 GLU A 87 -2.356 -4.776 8.290 1.00 2.03 H new ATOM 0 HG3 GLU A 87 -1.624 -5.308 6.789 1.00 2.03 H new ATOM 1415 N LEU A 88 0.332 -1.006 7.718 1.00 51.42 N ATOM 1416 CA LEU A 88 1.239 0.119 7.513 1.00 22.12 C ATOM 1417 C LEU A 88 0.857 1.296 8.403 1.00 10.43 C ATOM 1418 O LEU A 88 1.602 2.270 8.521 1.00 73.02 O ATOM 1419 CB LEU A 88 1.228 0.549 6.046 1.00 55.13 C ATOM 1420 CG LEU A 88 -0.139 0.553 5.359 1.00 71.40 C ATOM 1421 CD1 LEU A 88 -0.482 -0.837 4.845 1.00 61.04 C ATOM 1422 CD2 LEU A 88 -1.215 1.051 6.313 1.00 45.01 C ATOM 0 H LEU A 88 -0.210 -1.266 6.894 1.00 51.42 H new ATOM 0 HA LEU A 88 2.245 -0.204 7.782 1.00 22.12 H new ATOM 0 HB2 LEU A 88 1.649 1.552 5.979 1.00 55.13 H new ATOM 0 HB3 LEU A 88 1.891 -0.113 5.489 1.00 55.13 H new ATOM 0 HG LEU A 88 -0.094 1.232 4.508 1.00 71.40 H new ATOM 0 HD11 LEU A 88 -1.458 -0.815 4.359 1.00 61.04 H new ATOM 0 HD12 LEU A 88 0.274 -1.156 4.127 1.00 61.04 H new ATOM 0 HD13 LEU A 88 -0.508 -1.537 5.680 1.00 61.04 H new ATOM 0 HD21 LEU A 88 -2.180 1.047 5.807 1.00 45.01 H new ATOM 0 HD22 LEU A 88 -1.259 0.398 7.184 1.00 45.01 H new ATOM 0 HD23 LEU A 88 -0.977 2.066 6.632 1.00 45.01 H new ATOM 1434 N THR A 89 -0.311 1.201 9.032 1.00 3.15 N ATOM 1435 CA THR A 89 -0.793 2.258 9.914 1.00 72.43 C ATOM 1436 C THR A 89 -0.041 2.253 11.240 1.00 14.40 C ATOM 1437 O THR A 89 0.389 3.300 11.725 1.00 42.23 O ATOM 1438 CB THR A 89 -2.301 2.113 10.191 1.00 55.43 C ATOM 1439 OG1 THR A 89 -3.052 2.515 9.039 1.00 4.42 O ATOM 1440 CG2 THR A 89 -2.714 2.953 11.390 1.00 44.21 C ATOM 0 H THR A 89 -0.941 0.403 8.947 1.00 3.15 H new ATOM 0 HA THR A 89 -0.614 3.204 9.402 1.00 72.43 H new ATOM 0 HB THR A 89 -2.508 1.066 10.412 1.00 55.43 H new ATOM 0 HG1 THR A 89 -3.497 1.734 8.650 1.00 4.42 H new ATOM 0 HG21 THR A 89 -3.783 2.835 11.566 1.00 44.21 H new ATOM 0 HG22 THR A 89 -2.162 2.625 12.271 1.00 44.21 H new ATOM 0 HG23 THR A 89 -2.493 4.002 11.193 1.00 44.21 H new ATOM 1448 N SER A 90 0.115 1.069 11.823 1.00 33.31 N ATOM 1449 CA SER A 90 0.812 0.929 13.095 1.00 61.31 C ATOM 1450 C SER A 90 2.321 1.057 12.905 1.00 1.54 C ATOM 1451 O SER A 90 3.017 1.628 13.745 1.00 31.43 O ATOM 1452 CB SER A 90 0.481 -0.420 13.737 1.00 41.13 C ATOM 1453 OG SER A 90 0.644 -1.480 12.810 1.00 34.02 O ATOM 0 H SER A 90 -0.232 0.192 11.434 1.00 33.31 H new ATOM 0 HA SER A 90 0.477 1.730 13.754 1.00 61.31 H new ATOM 0 HB2 SER A 90 1.127 -0.584 14.599 1.00 41.13 H new ATOM 0 HB3 SER A 90 -0.545 -0.409 14.105 1.00 41.13 H new ATOM 0 HG SER A 90 -0.173 -1.578 12.278 1.00 34.02 H new ATOM 1459 N ILE A 91 2.818 0.524 11.795 1.00 21.31 N ATOM 1460 CA ILE A 91 4.244 0.579 11.493 1.00 13.25 C ATOM 1461 C ILE A 91 4.696 2.013 11.244 1.00 4.11 C ATOM 1462 O ILE A 91 5.844 2.368 11.517 1.00 13.51 O ATOM 1463 CB ILE A 91 4.592 -0.278 10.262 1.00 72.01 C ATOM 1464 CG1 ILE A 91 4.155 -1.728 10.483 1.00 22.32 C ATOM 1465 CG2 ILE A 91 6.083 -0.206 9.972 1.00 62.43 C ATOM 1466 CD1 ILE A 91 4.101 -2.544 9.210 1.00 3.42 C ATOM 0 H ILE A 91 2.255 0.049 11.089 1.00 21.31 H new ATOM 0 HA ILE A 91 4.767 0.180 12.362 1.00 13.25 H new ATOM 0 HB ILE A 91 4.055 0.116 9.399 1.00 72.01 H new ATOM 0 HG12 ILE A 91 4.844 -2.204 11.181 1.00 22.32 H new ATOM 0 HG13 ILE A 91 3.171 -1.735 10.951 1.00 22.32 H new ATOM 0 HG21 ILE A 91 6.314 -0.817 9.099 1.00 62.43 H new ATOM 0 HG22 ILE A 91 6.366 0.828 9.776 1.00 62.43 H new ATOM 0 HG23 ILE A 91 6.639 -0.578 10.832 1.00 62.43 H new ATOM 0 HD11 ILE A 91 3.784 -3.561 9.443 1.00 3.42 H new ATOM 0 HD12 ILE A 91 3.391 -2.092 8.518 1.00 3.42 H new ATOM 0 HD13 ILE A 91 5.089 -2.568 8.751 1.00 3.42 H new ATOM 1478 N SER A 92 3.788 2.834 10.726 1.00 63.21 N ATOM 1479 CA SER A 92 4.095 4.230 10.439 1.00 43.24 C ATOM 1480 C SER A 92 4.230 5.034 11.729 1.00 1.14 C ATOM 1481 O SER A 92 4.856 6.093 11.752 1.00 72.11 O ATOM 1482 CB SER A 92 3.007 4.843 9.554 1.00 22.53 C ATOM 1483 OG SER A 92 3.386 6.129 9.097 1.00 34.32 O ATOM 0 H SER A 92 2.834 2.556 10.497 1.00 63.21 H new ATOM 0 HA SER A 92 5.047 4.265 9.909 1.00 43.24 H new ATOM 0 HB2 SER A 92 2.818 4.192 8.701 1.00 22.53 H new ATOM 0 HB3 SER A 92 2.075 4.913 10.114 1.00 22.53 H new ATOM 0 HG SER A 92 2.675 6.498 8.533 1.00 34.32 H new