USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 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 Set 1.1: A 62 MET CE :methyl 146:sc= -0.314 (180deg=-1.01) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 162:sc=-0.00148 (180deg=-0.476) USER MOD Single : A 14 SER OG : rot 171:sc= -2.36! USER MOD Single : A 15 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.011) USER MOD Single : A 19 ASN : amide:sc= -0.023 K(o=-0.023,f=-0.56) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.474 USER MOD Single : A 36 SER OG : rot 35:sc= 0.201 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 44 TYR OH : rot 130:sc= -0.62 USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.766) USER MOD Single : A 50 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.5!) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.0141 (180deg=-0.159) 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 63 ASN : amide:sc= -7.82! C(o=-7.8!,f=-13!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -127:sc= 1.44 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -3.72! C(o=-3.7!,f=-11!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -131:sc= -0.368 (180deg=-2.07!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 72:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 11.383 -5.433 8.337 1.00 1.50 N ATOM 195 CA ARG A 13 10.134 -4.831 8.788 1.00 24.25 C ATOM 196 C ARG A 13 9.583 -3.869 7.740 1.00 62.23 C ATOM 197 O ARG A 13 8.373 -3.666 7.644 1.00 4.21 O ATOM 198 CB ARG A 13 10.349 -4.092 10.111 1.00 42.31 C ATOM 199 CG ARG A 13 9.382 -4.512 11.207 1.00 44.33 C ATOM 200 CD ARG A 13 8.270 -3.491 11.387 1.00 34.23 C ATOM 201 NE ARG A 13 7.843 -3.387 12.781 1.00 45.11 N ATOM 202 CZ ARG A 13 7.026 -4.254 13.366 1.00 20.43 C ATOM 203 NH1 ARG A 13 6.548 -5.285 12.683 1.00 3.25 N ATOM 204 NH2 ARG A 13 6.684 -4.092 14.639 1.00 43.23 N ATOM 0 HA ARG A 13 9.408 -5.630 8.939 1.00 24.25 H new ATOM 0 HB2 ARG A 13 11.370 -4.265 10.453 1.00 42.31 H new ATOM 0 HB3 ARG A 13 10.248 -3.020 9.940 1.00 42.31 H new ATOM 0 HG2 ARG A 13 8.951 -5.482 10.961 1.00 44.33 H new ATOM 0 HG3 ARG A 13 9.923 -4.632 12.145 1.00 44.33 H new ATOM 0 HD2 ARG A 13 8.613 -2.517 11.039 1.00 34.23 H new ATOM 0 HD3 ARG A 13 7.418 -3.769 10.767 1.00 34.23 H new ATOM 0 HE ARG A 13 8.192 -2.605 13.335 1.00 45.11 H new ATOM 0 HH11 ARG A 13 6.808 -5.414 11.705 1.00 3.25 H new ATOM 0 HH12 ARG A 13 5.920 -5.950 13.135 1.00 3.25 H new ATOM 0 HH21 ARG A 13 7.049 -3.300 15.168 1.00 43.23 H new ATOM 0 HH22 ARG A 13 6.056 -4.759 15.087 1.00 43.23 H new ATOM 218 N SER A 14 10.481 -3.280 6.956 1.00 43.41 N ATOM 219 CA SER A 14 10.086 -2.335 5.917 1.00 34.32 C ATOM 220 C SER A 14 9.448 -3.062 4.738 1.00 52.04 C ATOM 221 O SER A 14 8.550 -2.535 4.081 1.00 5.13 O ATOM 222 CB SER A 14 11.297 -1.531 5.441 1.00 33.42 C ATOM 223 OG SER A 14 11.495 -0.383 6.247 1.00 42.52 O ATOM 0 H SER A 14 11.486 -3.440 7.020 1.00 43.41 H new ATOM 0 HA SER A 14 9.351 -1.652 6.342 1.00 34.32 H new ATOM 0 HB2 SER A 14 12.188 -2.158 5.470 1.00 33.42 H new ATOM 0 HB3 SER A 14 11.153 -1.230 4.403 1.00 33.42 H new ATOM 0 HG SER A 14 12.352 0.034 6.018 1.00 42.52 H new ATOM 229 N ASN A 15 9.918 -4.276 4.474 1.00 71.04 N ATOM 230 CA ASN A 15 9.395 -5.077 3.373 1.00 43.52 C ATOM 231 C ASN A 15 8.013 -5.628 3.709 1.00 23.10 C ATOM 232 O ASN A 15 7.299 -6.116 2.833 1.00 13.23 O ATOM 233 CB ASN A 15 10.351 -6.228 3.052 1.00 61.14 C ATOM 234 CG ASN A 15 10.973 -6.096 1.675 1.00 30.11 C ATOM 235 OD1 ASN A 15 10.869 -7.000 0.845 1.00 1.41 O ATOM 236 ND2 ASN A 15 11.625 -4.966 1.426 1.00 15.11 N ATOM 0 H ASN A 15 10.661 -4.727 5.008 1.00 71.04 H new ATOM 0 HA ASN A 15 9.307 -4.432 2.499 1.00 43.52 H new ATOM 0 HB2 ASN A 15 11.141 -6.261 3.803 1.00 61.14 H new ATOM 0 HB3 ASN A 15 9.812 -7.173 3.115 1.00 61.14 H new ATOM 0 HD21 ASN A 15 12.065 -4.821 0.517 1.00 15.11 H new ATOM 0 HD22 ASN A 15 11.686 -4.244 2.144 1.00 15.11 H new ATOM 243 N GLN A 16 7.643 -5.545 4.983 1.00 2.20 N ATOM 244 CA GLN A 16 6.347 -6.036 5.435 1.00 15.11 C ATOM 245 C GLN A 16 5.211 -5.326 4.704 1.00 65.32 C ATOM 246 O GLN A 16 4.355 -5.968 4.097 1.00 13.43 O ATOM 247 CB GLN A 16 6.200 -5.837 6.944 1.00 11.42 C ATOM 248 CG GLN A 16 5.250 -6.826 7.600 1.00 60.12 C ATOM 249 CD GLN A 16 5.967 -8.035 8.166 1.00 33.24 C ATOM 250 OE1 GLN A 16 5.674 -9.174 7.796 1.00 3.13 O ATOM 251 NE2 GLN A 16 6.911 -7.796 9.068 1.00 15.02 N ATOM 0 H GLN A 16 8.222 -5.143 5.720 1.00 2.20 H new ATOM 0 HA GLN A 16 6.292 -7.101 5.209 1.00 15.11 H new ATOM 0 HB2 GLN A 16 7.181 -5.925 7.411 1.00 11.42 H new ATOM 0 HB3 GLN A 16 5.845 -4.824 7.135 1.00 11.42 H new ATOM 0 HG2 GLN A 16 4.704 -6.325 8.399 1.00 60.12 H new ATOM 0 HG3 GLN A 16 4.512 -7.155 6.868 1.00 60.12 H new ATOM 0 HE21 GLN A 16 7.121 -6.837 9.345 1.00 15.02 H new ATOM 0 HE22 GLN A 16 7.427 -8.571 9.484 1.00 15.02 H new ATOM 260 N ALA A 17 5.212 -3.998 4.766 1.00 23.45 N ATOM 261 CA ALA A 17 4.183 -3.202 4.110 1.00 64.33 C ATOM 262 C ALA A 17 4.035 -3.598 2.644 1.00 13.14 C ATOM 263 O ALA A 17 2.929 -3.857 2.171 1.00 21.13 O ATOM 264 CB ALA A 17 4.507 -1.720 4.228 1.00 22.32 C ATOM 0 H ALA A 17 5.914 -3.451 5.264 1.00 23.45 H new ATOM 0 HA ALA A 17 3.234 -3.396 4.610 1.00 64.33 H new ATOM 0 HB1 ALA A 17 3.730 -1.137 3.733 1.00 22.32 H new ATOM 0 HB2 ALA A 17 4.556 -1.441 5.281 1.00 22.32 H new ATOM 0 HB3 ALA A 17 5.468 -1.519 3.755 1.00 22.32 H new ATOM 270 N GLU A 18 5.156 -3.642 1.932 1.00 70.01 N ATOM 271 CA GLU A 18 5.149 -4.005 0.519 1.00 22.12 C ATOM 272 C GLU A 18 4.438 -5.338 0.304 1.00 3.11 C ATOM 273 O GLU A 18 3.676 -5.499 -0.648 1.00 20.20 O ATOM 274 CB GLU A 18 6.580 -4.085 -0.016 1.00 71.32 C ATOM 275 CG GLU A 18 6.669 -4.611 -1.439 1.00 53.33 C ATOM 276 CD GLU A 18 7.495 -5.878 -1.543 1.00 32.31 C ATOM 277 OE1 GLU A 18 8.545 -5.960 -0.872 1.00 34.02 O ATOM 278 OE2 GLU A 18 7.089 -6.789 -2.295 1.00 50.11 O ATOM 0 H GLU A 18 6.080 -3.431 2.309 1.00 70.01 H new ATOM 0 HA GLU A 18 4.608 -3.232 -0.027 1.00 22.12 H new ATOM 0 HB2 GLU A 18 7.030 -3.093 0.025 1.00 71.32 H new ATOM 0 HB3 GLU A 18 7.168 -4.729 0.638 1.00 71.32 H new ATOM 0 HG2 GLU A 18 5.664 -4.805 -1.814 1.00 53.33 H new ATOM 0 HG3 GLU A 18 7.105 -3.844 -2.079 1.00 53.33 H new ATOM 285 N ASN A 19 4.695 -6.289 1.195 1.00 74.13 N ATOM 286 CA ASN A 19 4.080 -7.609 1.102 1.00 61.24 C ATOM 287 C ASN A 19 2.571 -7.522 1.307 1.00 3.31 C ATOM 288 O ASN A 19 1.805 -8.237 0.660 1.00 2.21 O ATOM 289 CB ASN A 19 4.694 -8.554 2.137 1.00 23.03 C ATOM 290 CG ASN A 19 3.957 -9.878 2.220 1.00 43.31 C ATOM 291 OD1 ASN A 19 3.466 -10.390 1.215 1.00 73.14 O ATOM 292 ND2 ASN A 19 3.879 -10.437 3.422 1.00 43.33 N ATOM 0 H ASN A 19 5.324 -6.171 1.989 1.00 74.13 H new ATOM 0 HA ASN A 19 4.270 -8.002 0.103 1.00 61.24 H new ATOM 0 HB2 ASN A 19 5.738 -8.738 1.883 1.00 23.03 H new ATOM 0 HB3 ASN A 19 4.684 -8.073 3.115 1.00 23.03 H new ATOM 0 HD21 ASN A 19 3.397 -11.328 3.540 1.00 43.33 H new ATOM 0 HD22 ASN A 19 4.302 -9.975 4.227 1.00 43.33 H new ATOM 299 N ILE A 20 2.152 -6.643 2.210 1.00 5.45 N ATOM 300 CA ILE A 20 0.736 -6.461 2.500 1.00 10.15 C ATOM 301 C ILE A 20 0.003 -5.862 1.305 1.00 50.44 C ATOM 302 O ILE A 20 -1.031 -6.375 0.876 1.00 71.22 O ATOM 303 CB ILE A 20 0.522 -5.554 3.726 1.00 25.51 C ATOM 304 CG1 ILE A 20 1.223 -6.144 4.952 1.00 3.11 C ATOM 305 CG2 ILE A 20 -0.963 -5.369 3.997 1.00 22.30 C ATOM 306 CD1 ILE A 20 1.420 -5.148 6.074 1.00 50.33 C ATOM 0 H ILE A 20 2.774 -6.045 2.754 1.00 5.45 H new ATOM 0 HA ILE A 20 0.330 -7.449 2.715 1.00 10.15 H new ATOM 0 HB ILE A 20 0.957 -4.577 3.516 1.00 25.51 H new ATOM 0 HG12 ILE A 20 0.640 -6.987 5.323 1.00 3.11 H new ATOM 0 HG13 ILE A 20 2.194 -6.537 4.651 1.00 3.11 H new ATOM 0 HG21 ILE A 20 -1.097 -4.726 4.867 1.00 22.30 H new ATOM 0 HG22 ILE A 20 -1.437 -4.910 3.129 1.00 22.30 H new ATOM 0 HG23 ILE A 20 -1.421 -6.339 4.190 1.00 22.30 H new ATOM 0 HD11 ILE A 20 1.922 -5.636 6.909 1.00 50.33 H new ATOM 0 HD12 ILE A 20 2.029 -4.316 5.720 1.00 50.33 H new ATOM 0 HD13 ILE A 20 0.450 -4.773 6.402 1.00 50.33 H new ATOM 318 N ILE A 21 0.546 -4.773 0.771 1.00 54.43 N ATOM 319 CA ILE A 21 -0.055 -4.105 -0.377 1.00 70.14 C ATOM 320 C ILE A 21 -0.349 -5.097 -1.499 1.00 2.01 C ATOM 321 O ILE A 21 -1.410 -5.049 -2.122 1.00 64.25 O ATOM 322 CB ILE A 21 0.858 -2.989 -0.921 1.00 21.32 C ATOM 323 CG1 ILE A 21 1.124 -1.945 0.165 1.00 64.50 C ATOM 324 CG2 ILE A 21 0.229 -2.340 -2.145 1.00 63.01 C ATOM 325 CD1 ILE A 21 2.118 -0.882 -0.250 1.00 61.04 C ATOM 0 H ILE A 21 1.401 -4.335 1.115 1.00 54.43 H new ATOM 0 HA ILE A 21 -0.989 -3.663 -0.031 1.00 70.14 H new ATOM 0 HB ILE A 21 1.810 -3.429 -1.217 1.00 21.32 H new ATOM 0 HG12 ILE A 21 0.183 -1.466 0.435 1.00 64.50 H new ATOM 0 HG13 ILE A 21 1.494 -2.448 1.059 1.00 64.50 H new ATOM 0 HG21 ILE A 21 0.886 -1.554 -2.518 1.00 63.01 H new ATOM 0 HG22 ILE A 21 0.085 -3.091 -2.922 1.00 63.01 H new ATOM 0 HG23 ILE A 21 -0.735 -1.909 -1.874 1.00 63.01 H new ATOM 0 HD11 ILE A 21 2.258 -0.176 0.568 1.00 61.04 H new ATOM 0 HD12 ILE A 21 3.072 -1.351 -0.492 1.00 61.04 H new ATOM 0 HD13 ILE A 21 1.741 -0.353 -1.125 1.00 61.04 H new ATOM 337 N THR A 22 0.597 -5.997 -1.748 1.00 14.20 N ATOM 338 CA THR A 22 0.440 -7.001 -2.793 1.00 10.40 C ATOM 339 C THR A 22 -0.826 -7.824 -2.580 1.00 2.23 C ATOM 340 O THR A 22 -1.442 -8.291 -3.537 1.00 14.44 O ATOM 341 CB THR A 22 1.652 -7.949 -2.848 1.00 22.53 C ATOM 342 OG1 THR A 22 2.866 -7.191 -2.894 1.00 32.02 O ATOM 343 CG2 THR A 22 1.571 -8.862 -4.062 1.00 13.01 C ATOM 0 H THR A 22 1.480 -6.051 -1.240 1.00 14.20 H new ATOM 0 HA THR A 22 0.366 -6.464 -3.738 1.00 10.40 H new ATOM 0 HB THR A 22 1.644 -8.565 -1.949 1.00 22.53 H new ATOM 0 HG1 THR A 22 3.051 -6.816 -2.008 1.00 32.02 H new ATOM 0 HG21 THR A 22 2.438 -9.522 -4.079 1.00 13.01 H new ATOM 0 HG22 THR A 22 0.661 -9.459 -4.008 1.00 13.01 H new ATOM 0 HG23 THR A 22 1.556 -8.259 -4.970 1.00 13.01 H new ATOM 351 N ASP A 23 -1.207 -7.996 -1.319 1.00 35.12 N ATOM 352 CA ASP A 23 -2.401 -8.761 -0.979 1.00 54.30 C ATOM 353 C ASP A 23 -3.635 -8.173 -1.658 1.00 44.13 C ATOM 354 O ASP A 23 -4.235 -8.802 -2.532 1.00 43.55 O ATOM 355 CB ASP A 23 -2.603 -8.787 0.537 1.00 73.23 C ATOM 356 CG ASP A 23 -3.574 -9.866 0.974 1.00 61.42 C ATOM 357 OD1 ASP A 23 -4.650 -9.985 0.350 1.00 44.31 O ATOM 358 OD2 ASP A 23 -3.257 -10.593 1.938 1.00 14.22 O ATOM 0 H ASP A 23 -0.706 -7.616 -0.516 1.00 35.12 H new ATOM 0 HA ASP A 23 -2.262 -9.781 -1.337 1.00 54.30 H new ATOM 0 HB2 ASP A 23 -1.642 -8.948 1.026 1.00 73.23 H new ATOM 0 HB3 ASP A 23 -2.971 -7.816 0.868 1.00 73.23 H new ATOM 363 N LEU A 24 -4.009 -6.966 -1.250 1.00 52.21 N ATOM 364 CA LEU A 24 -5.172 -6.293 -1.818 1.00 11.51 C ATOM 365 C LEU A 24 -5.134 -6.333 -3.343 1.00 1.31 C ATOM 366 O LEU A 24 -6.168 -6.465 -3.997 1.00 34.01 O ATOM 367 CB LEU A 24 -5.233 -4.842 -1.336 1.00 34.25 C ATOM 368 CG LEU A 24 -5.490 -4.642 0.157 1.00 2.25 C ATOM 369 CD1 LEU A 24 -5.673 -3.166 0.475 1.00 22.01 C ATOM 370 CD2 LEU A 24 -6.708 -5.439 0.601 1.00 51.11 C ATOM 0 H LEU A 24 -3.524 -6.433 -0.528 1.00 52.21 H new ATOM 0 HA LEU A 24 -6.065 -6.819 -1.481 1.00 11.51 H new ATOM 0 HB2 LEU A 24 -4.291 -4.356 -1.591 1.00 34.25 H new ATOM 0 HB3 LEU A 24 -6.018 -4.328 -1.891 1.00 34.25 H new ATOM 0 HG LEU A 24 -4.622 -5.006 0.706 1.00 2.25 H new ATOM 0 HD11 LEU A 24 -5.855 -3.044 1.543 1.00 22.01 H new ATOM 0 HD12 LEU A 24 -4.772 -2.619 0.195 1.00 22.01 H new ATOM 0 HD13 LEU A 24 -6.523 -2.776 -0.085 1.00 22.01 H new ATOM 0 HD21 LEU A 24 -6.875 -5.284 1.667 1.00 51.11 H new ATOM 0 HD22 LEU A 24 -7.584 -5.106 0.044 1.00 51.11 H new ATOM 0 HD23 LEU A 24 -6.539 -6.499 0.411 1.00 51.11 H new ATOM 382 N LEU A 25 -3.934 -6.218 -3.903 1.00 21.54 N ATOM 383 CA LEU A 25 -3.760 -6.244 -5.350 1.00 52.04 C ATOM 384 C LEU A 25 -4.356 -7.514 -5.948 1.00 62.23 C ATOM 385 O LEU A 25 -5.172 -7.456 -6.868 1.00 30.23 O ATOM 386 CB LEU A 25 -2.276 -6.146 -5.707 1.00 0.44 C ATOM 387 CG LEU A 25 -1.793 -4.783 -6.203 1.00 11.41 C ATOM 388 CD1 LEU A 25 -2.488 -4.412 -7.505 1.00 23.42 C ATOM 389 CD2 LEU A 25 -2.033 -3.715 -5.146 1.00 13.52 C ATOM 0 H LEU A 25 -3.068 -6.106 -3.376 1.00 21.54 H new ATOM 0 HA LEU A 25 -4.286 -5.386 -5.769 1.00 52.04 H new ATOM 0 HB2 LEU A 25 -1.693 -6.418 -4.827 1.00 0.44 H new ATOM 0 HB3 LEU A 25 -2.058 -6.888 -6.475 1.00 0.44 H new ATOM 0 HG LEU A 25 -0.721 -4.845 -6.391 1.00 11.41 H new ATOM 0 HD11 LEU A 25 -2.132 -3.439 -7.843 1.00 23.42 H new ATOM 0 HD12 LEU A 25 -2.266 -5.163 -8.263 1.00 23.42 H new ATOM 0 HD13 LEU A 25 -3.565 -4.368 -7.343 1.00 23.42 H new ATOM 0 HD21 LEU A 25 -1.683 -2.751 -5.516 1.00 13.52 H new ATOM 0 HD22 LEU A 25 -3.099 -3.654 -4.926 1.00 13.52 H new ATOM 0 HD23 LEU A 25 -1.489 -3.974 -4.237 1.00 13.52 H new ATOM 401 N ASP A 26 -3.942 -8.661 -5.419 1.00 55.01 N ATOM 402 CA ASP A 26 -4.437 -9.947 -5.898 1.00 0.51 C ATOM 403 C ASP A 26 -5.943 -10.064 -5.682 1.00 13.41 C ATOM 404 O ASP A 26 -6.654 -10.650 -6.499 1.00 20.31 O ATOM 405 CB ASP A 26 -3.716 -11.092 -5.187 1.00 1.30 C ATOM 406 CG ASP A 26 -3.653 -12.350 -6.031 1.00 71.20 C ATOM 407 OD1 ASP A 26 -3.264 -12.251 -7.213 1.00 61.25 O ATOM 408 OD2 ASP A 26 -3.994 -13.432 -5.510 1.00 63.53 O ATOM 0 H ASP A 26 -3.265 -8.726 -4.659 1.00 55.01 H new ATOM 0 HA ASP A 26 -4.236 -10.011 -6.967 1.00 0.51 H new ATOM 0 HB2 ASP A 26 -2.704 -10.778 -4.933 1.00 1.30 H new ATOM 0 HB3 ASP A 26 -4.226 -11.312 -4.249 1.00 1.30 H new ATOM 413 N ASP A 27 -6.421 -9.504 -4.576 1.00 34.10 N ATOM 414 CA ASP A 27 -7.843 -9.546 -4.252 1.00 72.53 C ATOM 415 C ASP A 27 -8.665 -8.832 -5.320 1.00 22.13 C ATOM 416 O ASP A 27 -9.596 -9.405 -5.888 1.00 12.12 O ATOM 417 CB ASP A 27 -8.095 -8.909 -2.885 1.00 52.40 C ATOM 418 CG ASP A 27 -9.405 -9.358 -2.269 1.00 22.33 C ATOM 419 OD1 ASP A 27 -10.393 -9.505 -3.017 1.00 15.51 O ATOM 420 OD2 ASP A 27 -9.442 -9.563 -1.037 1.00 24.53 O ATOM 0 H ASP A 27 -5.846 -9.016 -3.889 1.00 34.10 H new ATOM 0 HA ASP A 27 -8.153 -10.591 -4.220 1.00 72.53 H new ATOM 0 HB2 ASP A 27 -7.275 -9.162 -2.213 1.00 52.40 H new ATOM 0 HB3 ASP A 27 -8.099 -7.824 -2.988 1.00 52.40 H new ATOM 425 N LEU A 28 -8.317 -7.579 -5.588 1.00 23.24 N ATOM 426 CA LEU A 28 -9.023 -6.785 -6.587 1.00 10.34 C ATOM 427 C LEU A 28 -8.604 -7.186 -7.997 1.00 64.33 C ATOM 428 O LEU A 28 -9.171 -6.715 -8.983 1.00 62.12 O ATOM 429 CB LEU A 28 -8.754 -5.295 -6.367 1.00 4.15 C ATOM 430 CG LEU A 28 -8.825 -4.807 -4.920 1.00 11.31 C ATOM 431 CD1 LEU A 28 -8.265 -3.397 -4.803 1.00 60.43 C ATOM 432 CD2 LEU A 28 -10.258 -4.857 -4.410 1.00 51.44 C ATOM 0 H LEU A 28 -7.549 -7.090 -5.127 1.00 23.24 H new ATOM 0 HA LEU A 28 -10.091 -6.975 -6.477 1.00 10.34 H new ATOM 0 HB2 LEU A 28 -7.764 -5.063 -6.759 1.00 4.15 H new ATOM 0 HB3 LEU A 28 -9.472 -4.726 -6.957 1.00 4.15 H new ATOM 0 HG LEU A 28 -8.217 -5.469 -4.304 1.00 11.31 H new ATOM 0 HD11 LEU A 28 -8.324 -3.067 -3.766 1.00 60.43 H new ATOM 0 HD12 LEU A 28 -7.224 -3.391 -5.127 1.00 60.43 H new ATOM 0 HD13 LEU A 28 -8.845 -2.722 -5.432 1.00 60.43 H new ATOM 0 HD21 LEU A 28 -10.290 -4.506 -3.378 1.00 51.44 H new ATOM 0 HD22 LEU A 28 -10.887 -4.218 -5.030 1.00 51.44 H new ATOM 0 HD23 LEU A 28 -10.625 -5.882 -4.456 1.00 51.44 H new ATOM 552 N SER A 36 -9.052 0.878 -11.438 1.00 23.31 N ATOM 553 CA SER A 36 -8.163 2.023 -11.606 1.00 75.53 C ATOM 554 C SER A 36 -7.518 2.409 -10.279 1.00 61.41 C ATOM 555 O SER A 36 -6.390 2.904 -10.245 1.00 20.44 O ATOM 556 CB SER A 36 -8.936 3.214 -12.177 1.00 22.31 C ATOM 557 OG SER A 36 -9.706 2.830 -13.303 1.00 1.53 O ATOM 0 HA SER A 36 -7.375 1.742 -12.304 1.00 75.53 H new ATOM 0 HB2 SER A 36 -9.590 3.629 -11.410 1.00 22.31 H new ATOM 0 HB3 SER A 36 -8.238 4.002 -12.461 1.00 22.31 H new ATOM 0 HG SER A 36 -10.038 1.917 -13.176 1.00 1.53 H new ATOM 563 N LEU A 37 -8.241 2.179 -9.188 1.00 62.01 N ATOM 564 CA LEU A 37 -7.739 2.503 -7.857 1.00 32.34 C ATOM 565 C LEU A 37 -6.418 1.792 -7.585 1.00 63.14 C ATOM 566 O LEU A 37 -5.534 2.334 -6.918 1.00 75.42 O ATOM 567 CB LEU A 37 -8.769 2.113 -6.794 1.00 74.34 C ATOM 568 CG LEU A 37 -8.849 3.025 -5.570 1.00 40.31 C ATOM 569 CD1 LEU A 37 -7.467 3.233 -4.969 1.00 14.32 C ATOM 570 CD2 LEU A 37 -9.479 4.361 -5.940 1.00 65.42 C ATOM 0 H LEU A 37 -9.175 1.770 -9.199 1.00 62.01 H new ATOM 0 HA LEU A 37 -7.567 3.578 -7.812 1.00 32.34 H new ATOM 0 HB2 LEU A 37 -9.752 2.082 -7.264 1.00 74.34 H new ATOM 0 HB3 LEU A 37 -8.546 1.102 -6.454 1.00 74.34 H new ATOM 0 HG LEU A 37 -9.480 2.544 -4.822 1.00 40.31 H new ATOM 0 HD11 LEU A 37 -7.543 3.885 -4.099 1.00 14.32 H new ATOM 0 HD12 LEU A 37 -7.053 2.271 -4.667 1.00 14.32 H new ATOM 0 HD13 LEU A 37 -6.813 3.693 -5.710 1.00 14.32 H new ATOM 0 HD21 LEU A 37 -9.528 4.997 -5.056 1.00 65.42 H new ATOM 0 HD22 LEU A 37 -8.875 4.848 -6.705 1.00 65.42 H new ATOM 0 HD23 LEU A 37 -10.486 4.195 -6.323 1.00 65.42 H new ATOM 582 N LYS A 38 -6.286 0.577 -8.107 1.00 31.22 N ATOM 583 CA LYS A 38 -5.071 -0.207 -7.924 1.00 34.25 C ATOM 584 C LYS A 38 -3.837 0.608 -8.295 1.00 24.03 C ATOM 585 O LYS A 38 -2.744 0.369 -7.780 1.00 0.33 O ATOM 586 CB LYS A 38 -5.129 -1.479 -8.772 1.00 72.31 C ATOM 587 CG LYS A 38 -6.185 -2.470 -8.313 1.00 2.24 C ATOM 588 CD LYS A 38 -6.696 -3.316 -9.467 1.00 1.24 C ATOM 589 CE LYS A 38 -5.949 -4.638 -9.563 1.00 12.41 C ATOM 590 NZ LYS A 38 -4.780 -4.547 -10.481 1.00 70.50 N ATOM 0 H LYS A 38 -7.007 0.114 -8.661 1.00 31.22 H new ATOM 0 HA LYS A 38 -5.000 -0.482 -6.872 1.00 34.25 H new ATOM 0 HB2 LYS A 38 -5.326 -1.206 -9.809 1.00 72.31 H new ATOM 0 HB3 LYS A 38 -4.153 -1.965 -8.750 1.00 72.31 H new ATOM 0 HG2 LYS A 38 -5.767 -3.118 -7.543 1.00 2.24 H new ATOM 0 HG3 LYS A 38 -7.017 -1.932 -7.859 1.00 2.24 H new ATOM 0 HD2 LYS A 38 -7.761 -3.507 -9.335 1.00 1.24 H new ATOM 0 HD3 LYS A 38 -6.584 -2.765 -10.401 1.00 1.24 H new ATOM 0 HE2 LYS A 38 -5.610 -4.937 -8.571 1.00 12.41 H new ATOM 0 HE3 LYS A 38 -6.628 -5.415 -9.915 1.00 12.41 H new ATOM 0 HZ1 LYS A 38 -4.297 -5.467 -10.520 1.00 70.50 H new ATOM 0 HZ2 LYS A 38 -5.106 -4.287 -11.434 1.00 70.50 H new ATOM 0 HZ3 LYS A 38 -4.120 -3.824 -10.131 1.00 70.50 H new ATOM 604 N LYS A 39 -4.017 1.573 -9.191 1.00 22.40 N ATOM 605 CA LYS A 39 -2.919 2.426 -9.629 1.00 21.41 C ATOM 606 C LYS A 39 -2.195 3.038 -8.433 1.00 73.13 C ATOM 607 O LYS A 39 -0.977 3.216 -8.457 1.00 41.11 O ATOM 608 CB LYS A 39 -3.442 3.536 -10.544 1.00 61.42 C ATOM 609 CG LYS A 39 -4.068 4.698 -9.794 1.00 13.42 C ATOM 610 CD LYS A 39 -4.522 5.794 -10.744 1.00 13.12 C ATOM 611 CE LYS A 39 -5.646 5.316 -11.650 1.00 41.32 C ATOM 612 NZ LYS A 39 -6.055 6.364 -12.626 1.00 62.33 N ATOM 0 H LYS A 39 -4.914 1.784 -9.628 1.00 22.40 H new ATOM 0 HA LYS A 39 -2.212 1.809 -10.183 1.00 21.41 H new ATOM 0 HB2 LYS A 39 -2.620 3.909 -11.155 1.00 61.42 H new ATOM 0 HB3 LYS A 39 -4.180 3.115 -11.226 1.00 61.42 H new ATOM 0 HG2 LYS A 39 -4.920 4.342 -9.214 1.00 13.42 H new ATOM 0 HG3 LYS A 39 -3.347 5.105 -9.085 1.00 13.42 H new ATOM 0 HD2 LYS A 39 -4.858 6.658 -10.170 1.00 13.12 H new ATOM 0 HD3 LYS A 39 -3.679 6.123 -11.351 1.00 13.12 H new ATOM 0 HE2 LYS A 39 -5.325 4.424 -12.188 1.00 41.32 H new ATOM 0 HE3 LYS A 39 -6.505 5.030 -11.043 1.00 41.32 H new ATOM 0 HZ1 LYS A 39 -6.823 6.000 -13.225 1.00 62.33 H new ATOM 0 HZ2 LYS A 39 -6.386 7.206 -12.113 1.00 62.33 H new ATOM 0 HZ3 LYS A 39 -5.242 6.619 -13.222 1.00 62.33 H new ATOM 626 N VAL A 40 -2.952 3.357 -7.389 1.00 24.45 N ATOM 627 CA VAL A 40 -2.382 3.946 -6.183 1.00 3.44 C ATOM 628 C VAL A 40 -1.497 2.946 -5.447 1.00 73.43 C ATOM 629 O VAL A 40 -0.294 3.160 -5.293 1.00 52.02 O ATOM 630 CB VAL A 40 -3.483 4.442 -5.227 1.00 20.14 C ATOM 631 CG1 VAL A 40 -2.925 4.635 -3.825 1.00 11.13 C ATOM 632 CG2 VAL A 40 -4.099 5.732 -5.746 1.00 53.04 C ATOM 0 H VAL A 40 -3.962 3.218 -7.354 1.00 24.45 H new ATOM 0 HA VAL A 40 -1.777 4.795 -6.501 1.00 3.44 H new ATOM 0 HB VAL A 40 -4.267 3.686 -5.180 1.00 20.14 H new ATOM 0 HG11 VAL A 40 -3.717 4.986 -3.163 1.00 11.13 H new ATOM 0 HG12 VAL A 40 -2.536 3.687 -3.454 1.00 11.13 H new ATOM 0 HG13 VAL A 40 -2.122 5.371 -3.851 1.00 11.13 H new ATOM 0 HG21 VAL A 40 -4.875 6.067 -5.058 1.00 53.04 H new ATOM 0 HG22 VAL A 40 -3.327 6.498 -5.824 1.00 53.04 H new ATOM 0 HG23 VAL A 40 -4.537 5.557 -6.729 1.00 53.04 H new ATOM 642 N LEU A 41 -2.100 1.851 -4.996 1.00 1.24 N ATOM 643 CA LEU A 41 -1.368 0.816 -4.276 1.00 41.32 C ATOM 644 C LEU A 41 -0.118 0.399 -5.046 1.00 63.31 C ATOM 645 O LEU A 41 0.986 0.405 -4.504 1.00 65.32 O ATOM 646 CB LEU A 41 -2.265 -0.401 -4.040 1.00 44.50 C ATOM 647 CG LEU A 41 -3.239 -0.298 -2.866 1.00 52.31 C ATOM 648 CD1 LEU A 41 -2.488 -0.047 -1.569 1.00 20.32 C ATOM 649 CD2 LEU A 41 -4.260 0.804 -3.116 1.00 64.02 C ATOM 0 H LEU A 41 -3.094 1.658 -5.117 1.00 1.24 H new ATOM 0 HA LEU A 41 -1.061 1.225 -3.313 1.00 41.32 H new ATOM 0 HB2 LEU A 41 -2.839 -0.586 -4.948 1.00 44.50 H new ATOM 0 HB3 LEU A 41 -1.628 -1.272 -3.883 1.00 44.50 H new ATOM 0 HG LEU A 41 -3.770 -1.245 -2.775 1.00 52.31 H new ATOM 0 HD11 LEU A 41 -3.198 0.023 -0.745 1.00 20.32 H new ATOM 0 HD12 LEU A 41 -1.797 -0.870 -1.383 1.00 20.32 H new ATOM 0 HD13 LEU A 41 -1.929 0.886 -1.647 1.00 20.32 H new ATOM 0 HD21 LEU A 41 -4.945 0.864 -2.271 1.00 64.02 H new ATOM 0 HD22 LEU A 41 -3.745 1.757 -3.233 1.00 64.02 H new ATOM 0 HD23 LEU A 41 -4.821 0.581 -4.023 1.00 64.02 H new ATOM 661 N GLU A 42 -0.302 0.039 -6.312 1.00 22.14 N ATOM 662 CA GLU A 42 0.812 -0.380 -7.156 1.00 11.40 C ATOM 663 C GLU A 42 1.886 0.702 -7.215 1.00 50.30 C ATOM 664 O GLU A 42 3.066 0.434 -6.998 1.00 32.33 O ATOM 665 CB GLU A 42 0.318 -0.702 -8.568 1.00 35.23 C ATOM 666 CG GLU A 42 -0.389 -2.043 -8.674 1.00 11.41 C ATOM 667 CD GLU A 42 -0.079 -2.764 -9.971 1.00 55.11 C ATOM 668 OE1 GLU A 42 -0.381 -2.205 -11.046 1.00 74.54 O ATOM 669 OE2 GLU A 42 0.464 -3.887 -9.911 1.00 12.13 O ATOM 0 H GLU A 42 -1.210 0.029 -6.776 1.00 22.14 H new ATOM 0 HA GLU A 42 1.249 -1.278 -6.719 1.00 11.40 H new ATOM 0 HB2 GLU A 42 -0.362 0.085 -8.894 1.00 35.23 H new ATOM 0 HB3 GLU A 42 1.167 -0.693 -9.252 1.00 35.23 H new ATOM 0 HG2 GLU A 42 -0.095 -2.672 -7.834 1.00 11.41 H new ATOM 0 HG3 GLU A 42 -1.465 -1.889 -8.596 1.00 11.41 H new ATOM 676 N ASN A 43 1.466 1.928 -7.514 1.00 22.21 N ATOM 677 CA ASN A 43 2.392 3.052 -7.603 1.00 72.44 C ATOM 678 C ASN A 43 3.189 3.205 -6.312 1.00 20.30 C ATOM 679 O ASN A 43 4.399 2.979 -6.287 1.00 64.00 O ATOM 680 CB ASN A 43 1.630 4.345 -7.902 1.00 23.15 C ATOM 681 CG ASN A 43 1.322 4.507 -9.378 1.00 4.41 C ATOM 682 OD1 ASN A 43 1.136 3.525 -10.096 1.00 53.41 O ATOM 683 ND2 ASN A 43 1.269 5.753 -9.837 1.00 34.21 N ATOM 0 H ASN A 43 0.492 2.168 -7.698 1.00 22.21 H new ATOM 0 HA ASN A 43 3.089 2.852 -8.417 1.00 72.44 H new ATOM 0 HB2 ASN A 43 0.698 4.353 -7.336 1.00 23.15 H new ATOM 0 HB3 ASN A 43 2.218 5.197 -7.561 1.00 23.15 H new ATOM 0 HD21 ASN A 43 1.067 5.926 -10.822 1.00 34.21 H new ATOM 0 HD22 ASN A 43 1.430 6.537 -9.204 1.00 34.21 H new ATOM 690 N TYR A 44 2.503 3.588 -5.242 1.00 12.12 N ATOM 691 CA TYR A 44 3.147 3.772 -3.946 1.00 41.54 C ATOM 692 C TYR A 44 3.985 2.553 -3.576 1.00 71.21 C ATOM 693 O TYR A 44 5.067 2.679 -3.001 1.00 34.13 O ATOM 694 CB TYR A 44 2.098 4.032 -2.864 1.00 0.43 C ATOM 695 CG TYR A 44 1.601 5.460 -2.833 1.00 10.02 C ATOM 696 CD1 TYR A 44 2.257 6.429 -2.083 1.00 31.43 C ATOM 697 CD2 TYR A 44 0.475 5.841 -3.552 1.00 51.42 C ATOM 698 CE1 TYR A 44 1.806 7.735 -2.050 1.00 62.34 C ATOM 699 CE2 TYR A 44 0.018 7.145 -3.528 1.00 20.51 C ATOM 700 CZ TYR A 44 0.687 8.087 -2.775 1.00 24.33 C ATOM 701 OH TYR A 44 0.234 9.386 -2.746 1.00 4.01 O ATOM 0 H TYR A 44 1.501 3.777 -5.246 1.00 12.12 H new ATOM 0 HA TYR A 44 3.808 4.636 -4.017 1.00 41.54 H new ATOM 0 HB2 TYR A 44 1.251 3.365 -3.023 1.00 0.43 H new ATOM 0 HB3 TYR A 44 2.522 3.782 -1.891 1.00 0.43 H new ATOM 0 HD1 TYR A 44 3.135 6.157 -1.516 1.00 31.43 H new ATOM 0 HD2 TYR A 44 -0.053 5.105 -4.140 1.00 51.42 H new ATOM 0 HE1 TYR A 44 2.327 8.475 -1.460 1.00 62.34 H new ATOM 0 HE2 TYR A 44 -0.857 7.425 -4.095 1.00 20.51 H new ATOM 0 HH TYR A 44 0.093 9.704 -3.662 1.00 4.01 H new ATOM 711 N LEU A 45 3.477 1.371 -3.909 1.00 1.31 N ATOM 712 CA LEU A 45 4.178 0.126 -3.613 1.00 40.23 C ATOM 713 C LEU A 45 5.559 0.112 -4.259 1.00 62.21 C ATOM 714 O LEU A 45 6.543 -0.281 -3.634 1.00 45.41 O ATOM 715 CB LEU A 45 3.361 -1.071 -4.103 1.00 0.14 C ATOM 716 CG LEU A 45 4.040 -2.436 -3.994 1.00 73.12 C ATOM 717 CD1 LEU A 45 4.107 -2.885 -2.542 1.00 51.34 C ATOM 718 CD2 LEU A 45 3.305 -3.466 -4.839 1.00 51.31 C ATOM 0 H LEU A 45 2.583 1.249 -4.384 1.00 1.31 H new ATOM 0 HA LEU A 45 4.302 0.056 -2.532 1.00 40.23 H new ATOM 0 HB2 LEU A 45 2.429 -1.105 -3.539 1.00 0.14 H new ATOM 0 HB3 LEU A 45 3.096 -0.902 -5.147 1.00 0.14 H new ATOM 0 HG LEU A 45 5.058 -2.345 -4.372 1.00 73.12 H new ATOM 0 HD11 LEU A 45 4.594 -3.859 -2.484 1.00 51.34 H new ATOM 0 HD12 LEU A 45 4.678 -2.159 -1.963 1.00 51.34 H new ATOM 0 HD13 LEU A 45 3.098 -2.959 -2.137 1.00 51.34 H new ATOM 0 HD21 LEU A 45 3.802 -4.432 -4.749 1.00 51.31 H new ATOM 0 HD22 LEU A 45 2.276 -3.554 -4.491 1.00 51.31 H new ATOM 0 HD23 LEU A 45 3.310 -3.151 -5.882 1.00 51.31 H new ATOM 730 N GLU A 46 5.625 0.545 -5.515 1.00 12.42 N ATOM 731 CA GLU A 46 6.887 0.583 -6.244 1.00 53.45 C ATOM 732 C GLU A 46 7.850 1.583 -5.613 1.00 4.24 C ATOM 733 O GLU A 46 9.068 1.442 -5.723 1.00 71.52 O ATOM 734 CB GLU A 46 6.643 0.949 -7.710 1.00 51.41 C ATOM 735 CG GLU A 46 6.867 2.420 -8.016 1.00 73.00 C ATOM 736 CD GLU A 46 6.181 2.861 -9.294 1.00 53.24 C ATOM 737 OE1 GLU A 46 6.225 2.099 -10.283 1.00 10.51 O ATOM 738 OE2 GLU A 46 5.601 3.967 -9.306 1.00 62.32 O ATOM 0 H GLU A 46 4.820 0.874 -6.048 1.00 12.42 H new ATOM 0 HA GLU A 46 7.336 -0.409 -6.194 1.00 53.45 H new ATOM 0 HB2 GLU A 46 7.302 0.351 -8.339 1.00 51.41 H new ATOM 0 HB3 GLU A 46 5.620 0.683 -7.977 1.00 51.41 H new ATOM 0 HG2 GLU A 46 6.498 3.020 -7.184 1.00 73.00 H new ATOM 0 HG3 GLU A 46 7.937 2.611 -8.098 1.00 73.00 H new ATOM 745 N GLU A 47 7.296 2.595 -4.952 1.00 4.13 N ATOM 746 CA GLU A 47 8.106 3.620 -4.304 1.00 30.40 C ATOM 747 C GLU A 47 8.949 3.018 -3.183 1.00 43.54 C ATOM 748 O GLU A 47 10.061 3.477 -2.913 1.00 22.04 O ATOM 749 CB GLU A 47 7.214 4.730 -3.746 1.00 41.43 C ATOM 750 CG GLU A 47 6.240 5.299 -4.765 1.00 35.50 C ATOM 751 CD GLU A 47 5.490 6.508 -4.244 1.00 0.55 C ATOM 752 OE1 GLU A 47 5.969 7.132 -3.273 1.00 63.34 O ATOM 753 OE2 GLU A 47 4.424 6.833 -4.808 1.00 31.44 O ATOM 0 H GLU A 47 6.290 2.727 -4.851 1.00 4.13 H new ATOM 0 HA GLU A 47 8.776 4.044 -5.052 1.00 30.40 H new ATOM 0 HB2 GLU A 47 6.652 4.341 -2.897 1.00 41.43 H new ATOM 0 HB3 GLU A 47 7.844 5.536 -3.369 1.00 41.43 H new ATOM 0 HG2 GLU A 47 6.785 5.576 -5.668 1.00 35.50 H new ATOM 0 HG3 GLU A 47 5.525 4.527 -5.049 1.00 35.50 H new ATOM 760 N LEU A 48 8.414 1.991 -2.534 1.00 73.15 N ATOM 761 CA LEU A 48 9.116 1.326 -1.442 1.00 61.32 C ATOM 762 C LEU A 48 10.438 0.736 -1.923 1.00 55.34 C ATOM 763 O LEU A 48 11.462 0.848 -1.250 1.00 2.14 O ATOM 764 CB LEU A 48 8.240 0.224 -0.843 1.00 42.31 C ATOM 765 CG LEU A 48 7.053 0.693 -0.001 1.00 64.11 C ATOM 766 CD1 LEU A 48 5.783 -0.031 -0.419 1.00 75.42 C ATOM 767 CD2 LEU A 48 7.331 0.476 1.480 1.00 55.14 C ATOM 0 H LEU A 48 7.496 1.600 -2.745 1.00 73.15 H new ATOM 0 HA LEU A 48 9.330 2.070 -0.674 1.00 61.32 H new ATOM 0 HB2 LEU A 48 7.861 -0.394 -1.657 1.00 42.31 H new ATOM 0 HB3 LEU A 48 8.869 -0.416 -0.224 1.00 42.31 H new ATOM 0 HG LEU A 48 6.910 1.760 -0.171 1.00 64.11 H new ATOM 0 HD11 LEU A 48 4.949 0.316 0.191 1.00 75.42 H new ATOM 0 HD12 LEU A 48 5.575 0.176 -1.469 1.00 75.42 H new ATOM 0 HD13 LEU A 48 5.913 -1.104 -0.279 1.00 75.42 H new ATOM 0 HD21 LEU A 48 6.476 0.815 2.064 1.00 55.14 H new ATOM 0 HD22 LEU A 48 7.500 -0.584 1.667 1.00 55.14 H new ATOM 0 HD23 LEU A 48 8.216 1.041 1.771 1.00 55.14 H new ATOM 779 N LYS A 49 10.408 0.109 -3.094 1.00 30.01 N ATOM 780 CA LYS A 49 11.604 -0.497 -3.669 1.00 13.21 C ATOM 781 C LYS A 49 12.653 0.564 -3.984 1.00 55.52 C ATOM 782 O LYS A 49 13.850 0.280 -4.004 1.00 34.02 O ATOM 783 CB LYS A 49 11.248 -1.270 -4.941 1.00 22.41 C ATOM 784 CG LYS A 49 10.436 -2.528 -4.680 1.00 14.34 C ATOM 785 CD LYS A 49 8.953 -2.219 -4.562 1.00 34.03 C ATOM 786 CE LYS A 49 8.102 -3.357 -5.105 1.00 11.52 C ATOM 787 NZ LYS A 49 8.487 -4.668 -4.516 1.00 43.21 N ATOM 0 H LYS A 49 9.568 0.007 -3.664 1.00 30.01 H new ATOM 0 HA LYS A 49 12.020 -1.188 -2.935 1.00 13.21 H new ATOM 0 HB2 LYS A 49 10.686 -0.617 -5.608 1.00 22.41 H new ATOM 0 HB3 LYS A 49 12.167 -1.542 -5.460 1.00 22.41 H new ATOM 0 HG2 LYS A 49 10.597 -3.241 -5.489 1.00 14.34 H new ATOM 0 HG3 LYS A 49 10.784 -3.003 -3.763 1.00 14.34 H new ATOM 0 HD2 LYS A 49 8.699 -2.040 -3.517 1.00 34.03 H new ATOM 0 HD3 LYS A 49 8.727 -1.302 -5.106 1.00 34.03 H new ATOM 0 HE2 LYS A 49 7.052 -3.158 -4.893 1.00 11.52 H new ATOM 0 HE3 LYS A 49 8.205 -3.402 -6.189 1.00 11.52 H new ATOM 0 HZ1 LYS A 49 7.687 -5.328 -4.586 1.00 43.21 H new ATOM 0 HZ2 LYS A 49 9.302 -5.055 -5.033 1.00 43.21 H new ATOM 0 HZ3 LYS A 49 8.742 -4.538 -3.516 1.00 43.21 H new ATOM 801 N GLN A 50 12.195 1.788 -4.229 1.00 40.34 N ATOM 802 CA GLN A 50 13.095 2.892 -4.543 1.00 65.01 C ATOM 803 C GLN A 50 13.874 3.327 -3.306 1.00 60.33 C ATOM 804 O GLN A 50 13.332 3.372 -2.202 1.00 24.03 O ATOM 805 CB GLN A 50 12.308 4.076 -5.107 1.00 60.33 C ATOM 806 CG GLN A 50 11.442 3.715 -6.303 1.00 34.10 C ATOM 807 CD GLN A 50 12.233 3.631 -7.594 1.00 0.12 C ATOM 808 OE1 GLN A 50 13.421 3.955 -7.629 1.00 34.25 O ATOM 809 NE2 GLN A 50 11.577 3.195 -8.662 1.00 43.15 N ATOM 0 H GLN A 50 11.207 2.040 -4.216 1.00 40.34 H new ATOM 0 HA GLN A 50 13.805 2.546 -5.295 1.00 65.01 H new ATOM 0 HB2 GLN A 50 11.675 4.488 -4.321 1.00 60.33 H new ATOM 0 HB3 GLN A 50 13.006 4.861 -5.398 1.00 60.33 H new ATOM 0 HG2 GLN A 50 10.954 2.758 -6.118 1.00 34.10 H new ATOM 0 HG3 GLN A 50 10.653 4.459 -6.413 1.00 34.10 H new ATOM 0 HE21 GLN A 50 10.593 2.938 -8.586 1.00 43.15 H new ATOM 0 HE22 GLN A 50 12.057 3.117 -9.559 1.00 43.15 H new ATOM 818 N LYS A 51 15.149 3.647 -3.498 1.00 21.20 N ATOM 819 CA LYS A 51 16.004 4.080 -2.400 1.00 21.24 C ATOM 820 C LYS A 51 15.875 5.582 -2.168 1.00 55.44 C ATOM 821 O LYS A 51 16.582 6.156 -1.340 1.00 43.44 O ATOM 822 CB LYS A 51 17.463 3.722 -2.689 1.00 41.12 C ATOM 823 CG LYS A 51 18.017 4.390 -3.937 1.00 25.15 C ATOM 824 CD LYS A 51 18.709 5.701 -3.605 1.00 44.23 C ATOM 825 CE LYS A 51 19.755 6.058 -4.651 1.00 2.23 C ATOM 826 NZ LYS A 51 20.957 5.184 -4.555 1.00 72.20 N ATOM 0 H LYS A 51 15.613 3.614 -4.406 1.00 21.20 H new ATOM 0 HA LYS A 51 15.681 3.562 -1.497 1.00 21.24 H new ATOM 0 HB2 LYS A 51 18.075 4.006 -1.833 1.00 41.12 H new ATOM 0 HB3 LYS A 51 17.549 2.641 -2.797 1.00 41.12 H new ATOM 0 HG2 LYS A 51 18.722 3.719 -4.428 1.00 25.15 H new ATOM 0 HG3 LYS A 51 17.207 4.573 -4.643 1.00 25.15 H new ATOM 0 HD2 LYS A 51 17.969 6.499 -3.541 1.00 44.23 H new ATOM 0 HD3 LYS A 51 19.182 5.626 -2.626 1.00 44.23 H new ATOM 0 HE2 LYS A 51 19.319 5.968 -5.646 1.00 2.23 H new ATOM 0 HE3 LYS A 51 20.052 7.099 -4.527 1.00 2.23 H new ATOM 0 HZ1 LYS A 51 21.752 5.631 -5.054 1.00 72.20 H new ATOM 0 HZ2 LYS A 51 21.208 5.048 -3.555 1.00 72.20 H new ATOM 0 HZ3 LYS A 51 20.751 4.262 -4.989 1.00 72.20 H new ATOM 840 N SER A 52 14.965 6.213 -2.904 1.00 41.54 N ATOM 841 CA SER A 52 14.744 7.650 -2.781 1.00 24.10 C ATOM 842 C SER A 52 13.773 7.954 -1.645 1.00 24.34 C ATOM 843 O SER A 52 14.156 8.518 -0.621 1.00 2.41 O ATOM 844 CB SER A 52 14.205 8.219 -4.095 1.00 34.14 C ATOM 845 OG SER A 52 14.991 7.797 -5.194 1.00 62.25 O ATOM 0 H SER A 52 14.369 5.752 -3.592 1.00 41.54 H new ATOM 0 HA SER A 52 15.700 8.122 -2.555 1.00 24.10 H new ATOM 0 HB2 SER A 52 13.173 7.898 -4.238 1.00 34.14 H new ATOM 0 HB3 SER A 52 14.196 9.308 -4.047 1.00 34.14 H new ATOM 0 HG SER A 52 14.625 8.173 -6.022 1.00 62.25 H new ATOM 851 N ALA A 53 12.514 7.576 -1.834 1.00 13.34 N ATOM 852 CA ALA A 53 11.486 7.807 -0.825 1.00 45.14 C ATOM 853 C ALA A 53 11.653 6.855 0.355 1.00 41.21 C ATOM 854 O ALA A 53 11.971 5.679 0.176 1.00 42.41 O ATOM 855 CB ALA A 53 10.102 7.655 -1.437 1.00 31.31 C ATOM 0 H ALA A 53 12.180 7.108 -2.677 1.00 13.34 H new ATOM 0 HA ALA A 53 11.597 8.826 -0.455 1.00 45.14 H new ATOM 0 HB1 ALA A 53 9.345 7.830 -0.673 1.00 31.31 H new ATOM 0 HB2 ALA A 53 9.979 8.379 -2.242 1.00 31.31 H new ATOM 0 HB3 ALA A 53 9.989 6.647 -1.835 1.00 31.31 H new ATOM 861 N SER A 54 11.436 7.371 1.560 1.00 31.32 N ATOM 862 CA SER A 54 11.566 6.567 2.770 1.00 1.21 C ATOM 863 C SER A 54 10.366 5.641 2.940 1.00 50.05 C ATOM 864 O SER A 54 9.263 5.946 2.486 1.00 12.33 O ATOM 865 CB SER A 54 11.704 7.472 3.997 1.00 71.21 C ATOM 866 OG SER A 54 13.065 7.744 4.280 1.00 34.44 O ATOM 0 H SER A 54 11.169 8.342 1.725 1.00 31.32 H new ATOM 0 HA SER A 54 12.463 5.956 2.675 1.00 1.21 H new ATOM 0 HB2 SER A 54 11.171 8.407 3.825 1.00 71.21 H new ATOM 0 HB3 SER A 54 11.239 6.994 4.859 1.00 71.21 H new ATOM 0 HG SER A 54 13.126 8.325 5.067 1.00 34.44 H new ATOM 872 N VAL A 55 10.589 4.507 3.596 1.00 63.23 N ATOM 873 CA VAL A 55 9.527 3.535 3.826 1.00 65.52 C ATOM 874 C VAL A 55 8.300 4.198 4.441 1.00 53.10 C ATOM 875 O VAL A 55 7.196 4.143 3.897 1.00 10.00 O ATOM 876 CB VAL A 55 9.999 2.396 4.750 1.00 4.31 C ATOM 877 CG1 VAL A 55 8.837 1.859 5.571 1.00 22.40 C ATOM 878 CG2 VAL A 55 10.649 1.286 3.938 1.00 14.35 C ATOM 0 H VAL A 55 11.496 4.239 3.978 1.00 63.23 H new ATOM 0 HA VAL A 55 9.263 3.118 2.854 1.00 65.52 H new ATOM 0 HB VAL A 55 10.745 2.794 5.438 1.00 4.31 H new ATOM 0 HG11 VAL A 55 9.189 1.055 6.218 1.00 22.40 H new ATOM 0 HG12 VAL A 55 8.422 2.661 6.182 1.00 22.40 H new ATOM 0 HG13 VAL A 55 8.066 1.476 4.903 1.00 22.40 H new ATOM 0 HG21 VAL A 55 10.976 0.490 4.607 1.00 14.35 H new ATOM 0 HG22 VAL A 55 9.928 0.887 3.225 1.00 14.35 H new ATOM 0 HG23 VAL A 55 11.509 1.685 3.400 1.00 14.35 H new ATOM 888 N PRO A 56 8.494 4.842 5.601 1.00 34.11 N ATOM 889 CA PRO A 56 7.414 5.529 6.315 1.00 42.40 C ATOM 890 C PRO A 56 6.943 6.783 5.585 1.00 3.23 C ATOM 891 O PRO A 56 5.883 7.331 5.892 1.00 52.42 O ATOM 892 CB PRO A 56 8.054 5.899 7.656 1.00 74.12 C ATOM 893 CG PRO A 56 9.514 5.976 7.369 1.00 22.13 C ATOM 894 CD PRO A 56 9.782 4.948 6.306 1.00 41.20 C ATOM 0 HA PRO A 56 6.526 4.904 6.409 1.00 42.40 H new ATOM 0 HB2 PRO A 56 7.673 6.850 8.028 1.00 74.12 H new ATOM 0 HB3 PRO A 56 7.839 5.150 8.418 1.00 74.12 H new ATOM 0 HG2 PRO A 56 9.792 6.973 7.027 1.00 22.13 H new ATOM 0 HG3 PRO A 56 10.099 5.772 8.266 1.00 22.13 H new ATOM 0 HD2 PRO A 56 10.582 5.262 5.636 1.00 41.20 H new ATOM 0 HD3 PRO A 56 10.084 3.993 6.737 1.00 41.20 H new ATOM 902 N LEU A 57 7.737 7.232 4.620 1.00 42.53 N ATOM 903 CA LEU A 57 7.401 8.422 3.845 1.00 13.24 C ATOM 904 C LEU A 57 6.426 8.084 2.722 1.00 62.24 C ATOM 905 O LEU A 57 5.715 8.955 2.221 1.00 51.12 O ATOM 906 CB LEU A 57 8.669 9.052 3.264 1.00 33.34 C ATOM 907 CG LEU A 57 8.456 10.147 2.219 1.00 72.22 C ATOM 908 CD1 LEU A 57 7.585 11.260 2.780 1.00 32.34 C ATOM 909 CD2 LEU A 57 9.793 10.699 1.746 1.00 12.12 C ATOM 0 H LEU A 57 8.618 6.791 4.355 1.00 42.53 H new ATOM 0 HA LEU A 57 6.921 9.137 4.514 1.00 13.24 H new ATOM 0 HB2 LEU A 57 9.252 9.469 4.085 1.00 33.34 H new ATOM 0 HB3 LEU A 57 9.271 8.262 2.815 1.00 33.34 H new ATOM 0 HG LEU A 57 7.942 9.710 1.363 1.00 72.22 H new ATOM 0 HD11 LEU A 57 7.445 12.030 2.021 1.00 32.34 H new ATOM 0 HD12 LEU A 57 6.615 10.853 3.068 1.00 32.34 H new ATOM 0 HD13 LEU A 57 8.069 11.696 3.654 1.00 32.34 H new ATOM 0 HD21 LEU A 57 9.623 11.477 1.002 1.00 12.12 H new ATOM 0 HD22 LEU A 57 10.334 11.119 2.594 1.00 12.12 H new ATOM 0 HD23 LEU A 57 10.382 9.896 1.302 1.00 12.12 H new ATOM 921 N ILE A 58 6.398 6.814 2.333 1.00 62.23 N ATOM 922 CA ILE A 58 5.509 6.360 1.271 1.00 41.20 C ATOM 923 C ILE A 58 4.245 5.729 1.845 1.00 1.11 C ATOM 924 O ILE A 58 3.150 5.908 1.309 1.00 30.42 O ATOM 925 CB ILE A 58 6.205 5.341 0.351 1.00 62.04 C ATOM 926 CG1 ILE A 58 7.522 5.915 -0.179 1.00 32.31 C ATOM 927 CG2 ILE A 58 5.290 4.954 -0.801 1.00 35.13 C ATOM 928 CD1 ILE A 58 8.471 4.862 -0.708 1.00 31.45 C ATOM 0 H ILE A 58 6.981 6.081 2.737 1.00 62.23 H new ATOM 0 HA ILE A 58 5.240 7.240 0.687 1.00 41.20 H new ATOM 0 HB ILE A 58 6.427 4.445 0.930 1.00 62.04 H new ATOM 0 HG12 ILE A 58 7.304 6.628 -0.974 1.00 32.31 H new ATOM 0 HG13 ILE A 58 8.015 6.469 0.620 1.00 32.31 H new ATOM 0 HG21 ILE A 58 5.797 4.233 -1.442 1.00 35.13 H new ATOM 0 HG22 ILE A 58 4.376 4.509 -0.406 1.00 35.13 H new ATOM 0 HG23 ILE A 58 5.040 5.842 -1.381 1.00 35.13 H new ATOM 0 HD11 ILE A 58 9.382 5.341 -1.067 1.00 31.45 H new ATOM 0 HD12 ILE A 58 8.719 4.162 0.090 1.00 31.45 H new ATOM 0 HD13 ILE A 58 7.997 4.324 -1.529 1.00 31.45 H new ATOM 940 N LEU A 59 4.403 4.992 2.939 1.00 15.02 N ATOM 941 CA LEU A 59 3.273 4.336 3.588 1.00 71.11 C ATOM 942 C LEU A 59 2.211 5.353 3.994 1.00 43.43 C ATOM 943 O LEU A 59 1.069 5.288 3.540 1.00 24.42 O ATOM 944 CB LEU A 59 3.748 3.559 4.817 1.00 35.03 C ATOM 945 CG LEU A 59 4.332 2.171 4.550 1.00 53.50 C ATOM 946 CD1 LEU A 59 4.852 1.554 5.839 1.00 20.41 C ATOM 947 CD2 LEU A 59 3.289 1.268 3.907 1.00 3.43 C ATOM 0 H LEU A 59 5.302 4.834 3.395 1.00 15.02 H new ATOM 0 HA LEU A 59 2.829 3.641 2.875 1.00 71.11 H new ATOM 0 HB2 LEU A 59 4.502 4.156 5.330 1.00 35.03 H new ATOM 0 HB3 LEU A 59 2.907 3.452 5.502 1.00 35.03 H new ATOM 0 HG LEU A 59 5.168 2.276 3.859 1.00 53.50 H new ATOM 0 HD11 LEU A 59 5.264 0.567 5.630 1.00 20.41 H new ATOM 0 HD12 LEU A 59 5.631 2.191 6.259 1.00 20.41 H new ATOM 0 HD13 LEU A 59 4.034 1.462 6.554 1.00 20.41 H new ATOM 0 HD21 LEU A 59 3.722 0.285 3.724 1.00 3.43 H new ATOM 0 HD22 LEU A 59 2.433 1.169 4.574 1.00 3.43 H new ATOM 0 HD23 LEU A 59 2.964 1.703 2.962 1.00 3.43 H new ATOM 959 N SER A 60 2.597 6.294 4.850 1.00 61.35 N ATOM 960 CA SER A 60 1.679 7.325 5.318 1.00 0.05 C ATOM 961 C SER A 60 1.104 8.115 4.146 1.00 64.53 C ATOM 962 O SER A 60 -0.066 8.497 4.155 1.00 51.14 O ATOM 963 CB SER A 60 2.391 8.272 6.285 1.00 11.21 C ATOM 964 OG SER A 60 2.084 7.953 7.632 1.00 72.55 O ATOM 0 H SER A 60 3.540 6.363 5.233 1.00 61.35 H new ATOM 0 HA SER A 60 0.858 6.834 5.840 1.00 0.05 H new ATOM 0 HB2 SER A 60 3.468 8.212 6.130 1.00 11.21 H new ATOM 0 HB3 SER A 60 2.096 9.300 6.075 1.00 11.21 H new ATOM 0 HG SER A 60 2.553 8.572 8.230 1.00 72.55 H new ATOM 970 N ARG A 61 1.937 8.354 3.138 1.00 3.01 N ATOM 971 CA ARG A 61 1.513 9.099 1.959 1.00 44.34 C ATOM 972 C ARG A 61 0.441 8.334 1.188 1.00 31.25 C ATOM 973 O ARG A 61 -0.578 8.901 0.796 1.00 33.12 O ATOM 974 CB ARG A 61 2.711 9.376 1.047 1.00 70.15 C ATOM 975 CG ARG A 61 2.510 10.564 0.121 1.00 14.33 C ATOM 976 CD ARG A 61 3.221 11.803 0.643 1.00 12.24 C ATOM 977 NE ARG A 61 3.094 12.933 -0.273 1.00 14.13 N ATOM 978 CZ ARG A 61 3.745 13.022 -1.427 1.00 24.41 C ATOM 979 NH1 ARG A 61 4.566 12.052 -1.804 1.00 73.53 N ATOM 980 NH2 ARG A 61 3.577 14.082 -2.205 1.00 51.32 N ATOM 0 H ARG A 61 2.908 8.043 3.114 1.00 3.01 H new ATOM 0 HA ARG A 61 1.090 10.047 2.292 1.00 44.34 H new ATOM 0 HB2 ARG A 61 3.593 9.552 1.663 1.00 70.15 H new ATOM 0 HB3 ARG A 61 2.913 8.489 0.447 1.00 70.15 H new ATOM 0 HG2 ARG A 61 2.885 10.320 -0.873 1.00 14.33 H new ATOM 0 HG3 ARG A 61 1.445 10.771 0.018 1.00 14.33 H new ATOM 0 HD2 ARG A 61 2.808 12.076 1.614 1.00 12.24 H new ATOM 0 HD3 ARG A 61 4.276 11.578 0.797 1.00 12.24 H new ATOM 0 HE ARG A 61 2.470 13.697 -0.012 1.00 14.13 H new ATOM 0 HH11 ARG A 61 4.699 11.235 -1.207 1.00 73.53 H new ATOM 0 HH12 ARG A 61 5.065 12.122 -2.691 1.00 73.53 H new ATOM 0 HH21 ARG A 61 2.947 14.831 -1.918 1.00 51.32 H new ATOM 0 HH22 ARG A 61 4.078 14.149 -3.091 1.00 51.32 H new ATOM 994 N MET A 62 0.679 7.044 0.975 1.00 13.14 N ATOM 995 CA MET A 62 -0.268 6.202 0.253 1.00 24.04 C ATOM 996 C MET A 62 -1.668 6.328 0.843 1.00 34.04 C ATOM 997 O MET A 62 -2.624 6.643 0.135 1.00 5.13 O ATOM 998 CB MET A 62 0.185 4.741 0.292 1.00 55.14 C ATOM 999 CG MET A 62 -0.558 3.849 -0.690 1.00 24.34 C ATOM 1000 SD MET A 62 -0.070 2.118 -0.561 1.00 71.14 S ATOM 1001 CE MET A 62 -0.460 1.782 1.154 1.00 44.34 C ATOM 0 H MET A 62 1.519 6.559 1.292 1.00 13.14 H new ATOM 0 HA MET A 62 -0.299 6.539 -0.783 1.00 24.04 H new ATOM 0 HB2 MET A 62 1.253 4.694 0.077 1.00 55.14 H new ATOM 0 HB3 MET A 62 0.046 4.352 1.301 1.00 55.14 H new ATOM 0 HG2 MET A 62 -1.630 3.934 -0.513 1.00 24.34 H new ATOM 0 HG3 MET A 62 -0.373 4.200 -1.705 1.00 24.34 H new ATOM 0 HE1 MET A 62 -0.799 0.751 1.255 1.00 44.34 H new ATOM 0 HE2 MET A 62 0.429 1.933 1.766 1.00 44.34 H new ATOM 0 HE3 MET A 62 -1.248 2.457 1.487 1.00 44.34 H new ATOM 1011 N ASN A 63 -1.782 6.081 2.145 1.00 42.30 N ATOM 1012 CA ASN A 63 -3.067 6.166 2.829 1.00 3.20 C ATOM 1013 C ASN A 63 -3.734 7.513 2.568 1.00 12.51 C ATOM 1014 O ASN A 63 -4.941 7.585 2.332 1.00 10.15 O ATOM 1015 CB ASN A 63 -2.881 5.960 4.334 1.00 30.21 C ATOM 1016 CG ASN A 63 -4.067 5.264 4.973 1.00 2.43 C ATOM 1017 OD1 ASN A 63 -4.737 4.448 4.341 1.00 75.32 O ATOM 1018 ND2 ASN A 63 -4.333 5.586 6.234 1.00 63.23 N ATOM 0 H ASN A 63 -1.000 5.821 2.746 1.00 42.30 H new ATOM 0 HA ASN A 63 -3.712 5.379 2.438 1.00 3.20 H new ATOM 0 HB2 ASN A 63 -1.980 5.371 4.509 1.00 30.21 H new ATOM 0 HB3 ASN A 63 -2.728 6.927 4.814 1.00 30.21 H new ATOM 0 HD21 ASN A 63 -5.120 5.151 6.716 1.00 63.23 H new ATOM 0 HD22 ASN A 63 -3.751 6.268 6.720 1.00 63.23 H new ATOM 1025 N LEU A 64 -2.941 8.578 2.611 1.00 40.24 N ATOM 1026 CA LEU A 64 -3.454 9.923 2.378 1.00 52.51 C ATOM 1027 C LEU A 64 -3.983 10.066 0.955 1.00 75.33 C ATOM 1028 O LEU A 64 -4.840 10.906 0.681 1.00 13.43 O ATOM 1029 CB LEU A 64 -2.357 10.960 2.631 1.00 51.02 C ATOM 1030 CG LEU A 64 -1.818 11.030 4.060 1.00 61.11 C ATOM 1031 CD1 LEU A 64 -0.421 11.632 4.074 1.00 25.45 C ATOM 1032 CD2 LEU A 64 -2.757 11.835 4.946 1.00 31.13 C ATOM 0 H LEU A 64 -1.941 8.536 2.805 1.00 40.24 H new ATOM 0 HA LEU A 64 -4.277 10.095 3.072 1.00 52.51 H new ATOM 0 HB2 LEU A 64 -1.524 10.750 1.960 1.00 51.02 H new ATOM 0 HB3 LEU A 64 -2.744 11.943 2.361 1.00 51.02 H new ATOM 0 HG LEU A 64 -1.759 10.016 4.456 1.00 61.11 H new ATOM 0 HD11 LEU A 64 -0.053 11.674 5.099 1.00 25.45 H new ATOM 0 HD12 LEU A 64 0.247 11.015 3.474 1.00 25.45 H new ATOM 0 HD13 LEU A 64 -0.455 12.639 3.659 1.00 25.45 H new ATOM 0 HD21 LEU A 64 -2.357 11.874 5.959 1.00 31.13 H new ATOM 0 HD22 LEU A 64 -2.849 12.848 4.553 1.00 31.13 H new ATOM 0 HD23 LEU A 64 -3.738 11.361 4.961 1.00 31.13 H new ATOM 1044 N ASP A 65 -3.470 9.237 0.052 1.00 2.02 N ATOM 1045 CA ASP A 65 -3.894 9.268 -1.343 1.00 2.33 C ATOM 1046 C ASP A 65 -5.130 8.399 -1.555 1.00 42.20 C ATOM 1047 O ASP A 65 -6.056 8.783 -2.270 1.00 44.50 O ATOM 1048 CB ASP A 65 -2.760 8.794 -2.254 1.00 31.35 C ATOM 1049 CG ASP A 65 -2.761 9.500 -3.595 1.00 23.20 C ATOM 1050 OD1 ASP A 65 -2.316 10.666 -3.653 1.00 24.24 O ATOM 1051 OD2 ASP A 65 -3.206 8.886 -4.587 1.00 43.42 O ATOM 0 H ASP A 65 -2.760 8.535 0.261 1.00 2.02 H new ATOM 0 HA ASP A 65 -4.148 10.297 -1.597 1.00 2.33 H new ATOM 0 HB2 ASP A 65 -1.804 8.964 -1.758 1.00 31.35 H new ATOM 0 HB3 ASP A 65 -2.850 7.719 -2.412 1.00 31.35 H new ATOM 1056 N ILE A 66 -5.136 7.226 -0.929 1.00 14.44 N ATOM 1057 CA ILE A 66 -6.259 6.304 -1.049 1.00 70.10 C ATOM 1058 C ILE A 66 -7.521 6.889 -0.424 1.00 2.10 C ATOM 1059 O ILE A 66 -8.613 6.771 -0.980 1.00 4.53 O ATOM 1060 CB ILE A 66 -5.949 4.951 -0.382 1.00 45.32 C ATOM 1061 CG1 ILE A 66 -4.667 4.353 -0.965 1.00 63.54 C ATOM 1062 CG2 ILE A 66 -7.117 3.993 -0.561 1.00 61.31 C ATOM 1063 CD1 ILE A 66 -4.132 3.181 -0.171 1.00 40.34 C ATOM 0 H ILE A 66 -4.377 6.892 -0.335 1.00 14.44 H new ATOM 0 HA ILE A 66 -6.425 6.146 -2.115 1.00 70.10 H new ATOM 0 HB ILE A 66 -5.799 5.114 0.685 1.00 45.32 H new ATOM 0 HG12 ILE A 66 -4.859 4.031 -1.989 1.00 63.54 H new ATOM 0 HG13 ILE A 66 -3.903 5.129 -1.013 1.00 63.54 H new ATOM 0 HG21 ILE A 66 -6.883 3.041 -0.084 1.00 61.31 H new ATOM 0 HG22 ILE A 66 -8.010 4.418 -0.103 1.00 61.31 H new ATOM 0 HG23 ILE A 66 -7.296 3.832 -1.624 1.00 61.31 H new ATOM 0 HD11 ILE A 66 -3.223 2.807 -0.642 1.00 40.34 H new ATOM 0 HD12 ILE A 66 -3.908 3.502 0.846 1.00 40.34 H new ATOM 0 HD13 ILE A 66 -4.879 2.388 -0.145 1.00 40.34 H new ATOM 1075 N SER A 67 -7.363 7.521 0.735 1.00 61.33 N ATOM 1076 CA SER A 67 -8.490 8.123 1.437 1.00 44.33 C ATOM 1077 C SER A 67 -9.292 9.025 0.504 1.00 1.02 C ATOM 1078 O SER A 67 -10.519 8.941 0.443 1.00 1.33 O ATOM 1079 CB SER A 67 -7.997 8.926 2.642 1.00 43.14 C ATOM 1080 OG SER A 67 -9.077 9.318 3.470 1.00 34.55 O ATOM 0 H SER A 67 -6.465 7.629 1.207 1.00 61.33 H new ATOM 0 HA SER A 67 -9.140 7.320 1.785 1.00 44.33 H new ATOM 0 HB2 SER A 67 -7.292 8.327 3.218 1.00 43.14 H new ATOM 0 HB3 SER A 67 -7.459 9.809 2.299 1.00 43.14 H new ATOM 0 HG SER A 67 -8.735 9.828 4.234 1.00 34.55 H new ATOM 1086 N LYS A 68 -8.590 9.888 -0.222 1.00 50.54 N ATOM 1087 CA LYS A 68 -9.234 10.806 -1.154 1.00 32.31 C ATOM 1088 C LYS A 68 -9.915 10.043 -2.286 1.00 54.51 C ATOM 1089 O LYS A 68 -10.946 10.474 -2.805 1.00 64.13 O ATOM 1090 CB LYS A 68 -8.208 11.784 -1.730 1.00 2.20 C ATOM 1091 CG LYS A 68 -7.729 11.414 -3.122 1.00 45.35 C ATOM 1092 CD LYS A 68 -6.536 12.256 -3.544 1.00 32.43 C ATOM 1093 CE LYS A 68 -6.956 13.667 -3.925 1.00 33.22 C ATOM 1094 NZ LYS A 68 -5.790 14.589 -4.007 1.00 40.35 N ATOM 0 H LYS A 68 -7.574 9.971 -0.183 1.00 50.54 H new ATOM 0 HA LYS A 68 -9.993 11.365 -0.607 1.00 32.31 H new ATOM 0 HB2 LYS A 68 -8.646 12.782 -1.759 1.00 2.20 H new ATOM 0 HB3 LYS A 68 -7.349 11.832 -1.060 1.00 2.20 H new ATOM 0 HG2 LYS A 68 -7.457 10.359 -3.146 1.00 45.35 H new ATOM 0 HG3 LYS A 68 -8.542 11.550 -3.835 1.00 45.35 H new ATOM 0 HD2 LYS A 68 -5.813 12.298 -2.730 1.00 32.43 H new ATOM 0 HD3 LYS A 68 -6.037 11.783 -4.390 1.00 32.43 H new ATOM 0 HE2 LYS A 68 -7.471 13.646 -4.886 1.00 33.22 H new ATOM 0 HE3 LYS A 68 -7.667 14.045 -3.191 1.00 33.22 H new ATOM 0 HZ1 LYS A 68 -6.118 15.541 -4.269 1.00 40.35 H new ATOM 0 HZ2 LYS A 68 -5.313 14.629 -3.083 1.00 40.35 H new ATOM 0 HZ3 LYS A 68 -5.123 14.242 -4.726 1.00 40.35 H new ATOM 1108 N ALA A 69 -9.335 8.909 -2.662 1.00 42.24 N ATOM 1109 CA ALA A 69 -9.888 8.085 -3.730 1.00 35.23 C ATOM 1110 C ALA A 69 -11.224 7.475 -3.317 1.00 44.11 C ATOM 1111 O ALA A 69 -12.020 7.071 -4.164 1.00 62.21 O ATOM 1112 CB ALA A 69 -8.904 6.992 -4.117 1.00 64.42 C ATOM 0 H ALA A 69 -8.482 8.539 -2.243 1.00 42.24 H new ATOM 0 HA ALA A 69 -10.062 8.724 -4.595 1.00 35.23 H new ATOM 0 HB1 ALA A 69 -9.330 6.385 -4.915 1.00 64.42 H new ATOM 0 HB2 ALA A 69 -7.975 7.445 -4.462 1.00 64.42 H new ATOM 0 HB3 ALA A 69 -8.701 6.362 -3.251 1.00 64.42 H new ATOM 1118 N ILE A 70 -11.461 7.412 -2.011 1.00 72.20 N ATOM 1119 CA ILE A 70 -12.700 6.851 -1.486 1.00 40.54 C ATOM 1120 C ILE A 70 -13.904 7.680 -1.920 1.00 54.42 C ATOM 1121 O ILE A 70 -14.714 7.238 -2.736 1.00 74.33 O ATOM 1122 CB ILE A 70 -12.675 6.769 0.051 1.00 40.22 C ATOM 1123 CG1 ILE A 70 -11.392 6.084 0.525 1.00 62.21 C ATOM 1124 CG2 ILE A 70 -13.900 6.025 0.562 1.00 0.12 C ATOM 1125 CD1 ILE A 70 -11.318 5.912 2.027 1.00 63.02 C ATOM 0 H ILE A 70 -10.812 7.742 -1.297 1.00 72.20 H new ATOM 0 HA ILE A 70 -12.788 5.844 -1.893 1.00 40.54 H new ATOM 0 HB ILE A 70 -12.695 7.781 0.455 1.00 40.22 H new ATOM 0 HG12 ILE A 70 -11.316 5.105 0.051 1.00 62.21 H new ATOM 0 HG13 ILE A 70 -10.534 6.667 0.191 1.00 62.21 H new ATOM 0 HG21 ILE A 70 -13.868 5.975 1.650 1.00 0.12 H new ATOM 0 HG22 ILE A 70 -14.802 6.551 0.249 1.00 0.12 H new ATOM 0 HG23 ILE A 70 -13.909 5.015 0.153 1.00 0.12 H new ATOM 0 HD11 ILE A 70 -10.382 5.420 2.291 1.00 63.02 H new ATOM 0 HD12 ILE A 70 -11.362 6.889 2.508 1.00 63.02 H new ATOM 0 HD13 ILE A 70 -12.156 5.303 2.365 1.00 63.02 H new ATOM 1137 N ARG A 71 -14.016 8.885 -1.371 1.00 11.24 N ATOM 1138 CA ARG A 71 -15.121 9.776 -1.701 1.00 31.13 C ATOM 1139 C ARG A 71 -15.177 10.040 -3.203 1.00 2.22 C ATOM 1140 O ARG A 71 -16.240 10.322 -3.754 1.00 62.55 O ATOM 1141 CB ARG A 71 -14.982 11.099 -0.945 1.00 71.10 C ATOM 1142 CG ARG A 71 -16.002 12.148 -1.359 1.00 65.30 C ATOM 1143 CD ARG A 71 -15.836 13.431 -0.560 1.00 62.11 C ATOM 1144 NE ARG A 71 -16.280 13.275 0.823 1.00 11.54 N ATOM 1145 CZ ARG A 71 -17.554 13.141 1.175 1.00 62.22 C ATOM 1146 NH1 ARG A 71 -18.504 13.142 0.250 1.00 30.43 N ATOM 1147 NH2 ARG A 71 -17.879 13.004 2.455 1.00 72.14 N ATOM 0 H ARG A 71 -13.354 9.267 -0.695 1.00 11.24 H new ATOM 0 HA ARG A 71 -16.049 9.289 -1.400 1.00 31.13 H new ATOM 0 HB2 ARG A 71 -15.082 10.909 0.124 1.00 71.10 H new ATOM 0 HB3 ARG A 71 -13.980 11.496 -1.106 1.00 71.10 H new ATOM 0 HG2 ARG A 71 -15.893 12.363 -2.422 1.00 65.30 H new ATOM 0 HG3 ARG A 71 -17.009 11.756 -1.214 1.00 65.30 H new ATOM 0 HD2 ARG A 71 -14.789 13.733 -0.573 1.00 62.11 H new ATOM 0 HD3 ARG A 71 -16.404 14.230 -1.035 1.00 62.11 H new ATOM 0 HE ARG A 71 -15.573 13.269 1.558 1.00 11.54 H new ATOM 0 HH11 ARG A 71 -18.257 13.246 -0.734 1.00 30.43 H new ATOM 0 HH12 ARG A 71 -19.481 13.039 0.523 1.00 30.43 H new ATOM 0 HH21 ARG A 71 -17.150 13.002 3.169 1.00 72.14 H new ATOM 0 HH22 ARG A 71 -18.857 12.901 2.725 1.00 72.14 H new ATOM 1161 N ASN A 72 -14.024 9.946 -3.858 1.00 51.02 N ATOM 1162 CA ASN A 72 -13.942 10.176 -5.296 1.00 30.12 C ATOM 1163 C ASN A 72 -14.969 9.329 -6.042 1.00 4.32 C ATOM 1164 O ASN A 72 -15.987 9.840 -6.511 1.00 43.23 O ATOM 1165 CB ASN A 72 -12.535 9.855 -5.804 1.00 44.52 C ATOM 1166 CG ASN A 72 -11.695 11.102 -6.004 1.00 64.12 C ATOM 1167 OD1 ASN A 72 -11.023 11.254 -7.025 1.00 42.21 O ATOM 1168 ND2 ASN A 72 -11.728 12.001 -5.027 1.00 52.10 N ATOM 0 H ASN A 72 -13.135 9.712 -3.416 1.00 51.02 H new ATOM 0 HA ASN A 72 -14.159 11.227 -5.484 1.00 30.12 H new ATOM 0 HB2 ASN A 72 -12.037 9.195 -5.094 1.00 44.52 H new ATOM 0 HB3 ASN A 72 -12.607 9.313 -6.747 1.00 44.52 H new ATOM 0 HD21 ASN A 72 -11.182 12.859 -5.105 1.00 52.10 H new ATOM 0 HD22 ASN A 72 -12.299 11.833 -4.199 1.00 52.10 H new ATOM 1175 N ASP A 73 -14.696 8.034 -6.147 1.00 64.23 N ATOM 1176 CA ASP A 73 -15.596 7.115 -6.834 1.00 11.43 C ATOM 1177 C ASP A 73 -16.505 6.401 -5.840 1.00 30.55 C ATOM 1178 O ASP A 73 -17.052 5.339 -6.135 1.00 33.11 O ATOM 1179 CB ASP A 73 -14.797 6.092 -7.642 1.00 21.25 C ATOM 1180 CG ASP A 73 -14.110 6.711 -8.842 1.00 64.32 C ATOM 1181 OD1 ASP A 73 -14.814 7.287 -9.698 1.00 4.41 O ATOM 1182 OD2 ASP A 73 -12.867 6.619 -8.927 1.00 22.01 O ATOM 0 H ASP A 73 -13.858 7.596 -5.765 1.00 64.23 H new ATOM 0 HA ASP A 73 -16.218 7.696 -7.515 1.00 11.43 H new ATOM 0 HB2 ASP A 73 -14.049 5.629 -6.998 1.00 21.25 H new ATOM 0 HB3 ASP A 73 -15.464 5.298 -7.978 1.00 21.25 H new ATOM 1187 N GLY A 74 -16.662 6.990 -4.658 1.00 22.34 N ATOM 1188 CA GLY A 74 -17.504 6.394 -3.638 1.00 4.02 C ATOM 1189 C GLY A 74 -17.158 4.941 -3.375 1.00 3.22 C ATOM 1190 O GLY A 74 -18.042 4.117 -3.144 1.00 62.34 O ATOM 0 H GLY A 74 -16.221 7.869 -4.389 1.00 22.34 H new ATOM 0 HA2 GLY A 74 -17.404 6.961 -2.712 1.00 4.02 H new ATOM 0 HA3 GLY A 74 -18.547 6.466 -3.945 1.00 4.02 H new ATOM 1194 N VAL A 75 -15.866 4.627 -3.411 1.00 75.52 N ATOM 1195 CA VAL A 75 -15.405 3.264 -3.177 1.00 21.34 C ATOM 1196 C VAL A 75 -15.371 2.945 -1.686 1.00 22.41 C ATOM 1197 O VAL A 75 -14.793 3.689 -0.893 1.00 22.44 O ATOM 1198 CB VAL A 75 -14.003 3.036 -3.771 1.00 70.00 C ATOM 1199 CG1 VAL A 75 -13.600 1.574 -3.643 1.00 52.33 C ATOM 1200 CG2 VAL A 75 -13.962 3.483 -5.224 1.00 52.32 C ATOM 0 H VAL A 75 -15.121 5.298 -3.600 1.00 75.52 H new ATOM 0 HA VAL A 75 -16.113 2.600 -3.673 1.00 21.34 H new ATOM 0 HB VAL A 75 -13.287 3.636 -3.209 1.00 70.00 H new ATOM 0 HG11 VAL A 75 -12.606 1.432 -4.068 1.00 52.33 H new ATOM 0 HG12 VAL A 75 -13.588 1.291 -2.591 1.00 52.33 H new ATOM 0 HG13 VAL A 75 -14.316 0.951 -4.179 1.00 52.33 H new ATOM 0 HG21 VAL A 75 -12.964 3.315 -5.628 1.00 52.32 H new ATOM 0 HG22 VAL A 75 -14.688 2.911 -5.801 1.00 52.32 H new ATOM 0 HG23 VAL A 75 -14.204 4.544 -5.285 1.00 52.32 H new ATOM 1210 N THR A 76 -15.994 1.832 -1.309 1.00 54.13 N ATOM 1211 CA THR A 76 -16.036 1.414 0.086 1.00 50.15 C ATOM 1212 C THR A 76 -15.015 0.317 0.362 1.00 44.22 C ATOM 1213 O THR A 76 -14.973 -0.697 -0.337 1.00 1.13 O ATOM 1214 CB THR A 76 -17.437 0.908 0.479 1.00 64.33 C ATOM 1215 OG1 THR A 76 -18.434 1.843 0.052 1.00 71.21 O ATOM 1216 CG2 THR A 76 -17.536 0.703 1.983 1.00 74.04 C ATOM 0 H THR A 76 -16.477 1.204 -1.952 1.00 54.13 H new ATOM 0 HA THR A 76 -15.794 2.291 0.686 1.00 50.15 H new ATOM 0 HB THR A 76 -17.605 -0.050 -0.014 1.00 64.33 H new ATOM 0 HG1 THR A 76 -19.322 1.513 0.304 1.00 71.21 H new ATOM 0 HG21 THR A 76 -18.534 0.346 2.237 1.00 74.04 H new ATOM 0 HG22 THR A 76 -16.796 -0.032 2.300 1.00 74.04 H new ATOM 0 HG23 THR A 76 -17.349 1.648 2.492 1.00 74.04 H new ATOM 1224 N LEU A 77 -14.193 0.524 1.385 1.00 54.35 N ATOM 1225 CA LEU A 77 -13.171 -0.449 1.754 1.00 31.01 C ATOM 1226 C LEU A 77 -13.794 -1.655 2.451 1.00 64.23 C ATOM 1227 O LEU A 77 -14.564 -1.507 3.400 1.00 42.14 O ATOM 1228 CB LEU A 77 -12.128 0.198 2.667 1.00 73.12 C ATOM 1229 CG LEU A 77 -11.575 1.547 2.202 1.00 35.05 C ATOM 1230 CD1 LEU A 77 -11.750 2.596 3.289 1.00 41.31 C ATOM 1231 CD2 LEU A 77 -10.110 1.417 1.814 1.00 72.04 C ATOM 0 H LEU A 77 -14.214 1.357 1.974 1.00 54.35 H new ATOM 0 HA LEU A 77 -12.684 -0.791 0.841 1.00 31.01 H new ATOM 0 HB2 LEU A 77 -12.570 0.330 3.655 1.00 73.12 H new ATOM 0 HB3 LEU A 77 -11.294 -0.495 2.781 1.00 73.12 H new ATOM 0 HG LEU A 77 -12.135 1.866 1.323 1.00 35.05 H new ATOM 0 HD11 LEU A 77 -11.352 3.549 2.942 1.00 41.31 H new ATOM 0 HD12 LEU A 77 -12.809 2.708 3.520 1.00 41.31 H new ATOM 0 HD13 LEU A 77 -11.215 2.284 4.186 1.00 41.31 H new ATOM 0 HD21 LEU A 77 -9.733 2.386 1.486 1.00 72.04 H new ATOM 0 HD22 LEU A 77 -9.534 1.076 2.675 1.00 72.04 H new ATOM 0 HD23 LEU A 77 -10.011 0.696 1.003 1.00 72.04 H new ATOM 1243 N SER A 78 -13.454 -2.848 1.973 1.00 21.32 N ATOM 1244 CA SER A 78 -13.981 -4.080 2.549 1.00 22.24 C ATOM 1245 C SER A 78 -13.339 -4.364 3.904 1.00 32.31 C ATOM 1246 O SER A 78 -12.383 -3.699 4.303 1.00 33.02 O ATOM 1247 CB SER A 78 -13.739 -5.255 1.601 1.00 74.44 C ATOM 1248 OG SER A 78 -14.334 -6.442 2.097 1.00 14.00 O ATOM 0 H SER A 78 -12.817 -2.988 1.189 1.00 21.32 H new ATOM 0 HA SER A 78 -15.054 -3.955 2.694 1.00 22.24 H new ATOM 0 HB2 SER A 78 -14.148 -5.023 0.618 1.00 74.44 H new ATOM 0 HB3 SER A 78 -12.667 -5.408 1.473 1.00 74.44 H new ATOM 0 HG SER A 78 -13.663 -7.155 2.130 1.00 14.00 H new ATOM 1254 N ASP A 79 -13.873 -5.357 4.607 1.00 64.40 N ATOM 1255 CA ASP A 79 -13.353 -5.732 5.917 1.00 44.13 C ATOM 1256 C ASP A 79 -11.843 -5.946 5.862 1.00 74.41 C ATOM 1257 O ASP A 79 -11.084 -5.263 6.549 1.00 64.24 O ATOM 1258 CB ASP A 79 -14.043 -7.002 6.419 1.00 2.12 C ATOM 1259 CG ASP A 79 -13.998 -7.126 7.930 1.00 14.12 C ATOM 1260 OD1 ASP A 79 -14.279 -6.121 8.615 1.00 24.23 O ATOM 1261 OD2 ASP A 79 -13.682 -8.228 8.426 1.00 13.02 O ATOM 0 H ASP A 79 -14.665 -5.917 4.292 1.00 64.40 H new ATOM 0 HA ASP A 79 -13.561 -4.917 6.610 1.00 44.13 H new ATOM 0 HB2 ASP A 79 -15.081 -7.003 6.088 1.00 2.12 H new ATOM 0 HB3 ASP A 79 -13.565 -7.873 5.971 1.00 2.12 H new ATOM 1266 N TYR A 80 -11.416 -6.900 5.041 1.00 2.14 N ATOM 1267 CA TYR A 80 -9.998 -7.207 4.899 1.00 22.31 C ATOM 1268 C TYR A 80 -9.210 -5.965 4.495 1.00 45.44 C ATOM 1269 O TYR A 80 -8.079 -5.763 4.937 1.00 60.22 O ATOM 1270 CB TYR A 80 -9.796 -8.313 3.862 1.00 42.40 C ATOM 1271 CG TYR A 80 -10.312 -7.955 2.487 1.00 22.14 C ATOM 1272 CD1 TYR A 80 -11.626 -8.224 2.125 1.00 12.22 C ATOM 1273 CD2 TYR A 80 -9.485 -7.348 1.550 1.00 12.42 C ATOM 1274 CE1 TYR A 80 -12.101 -7.899 0.869 1.00 34.34 C ATOM 1275 CE2 TYR A 80 -9.953 -7.019 0.292 1.00 51.12 C ATOM 1276 CZ TYR A 80 -11.261 -7.296 -0.044 1.00 73.40 C ATOM 1277 OH TYR A 80 -11.731 -6.971 -1.295 1.00 72.03 O ATOM 0 H TYR A 80 -12.032 -7.473 4.464 1.00 2.14 H new ATOM 0 HA TYR A 80 -9.628 -7.552 5.865 1.00 22.31 H new ATOM 0 HB2 TYR A 80 -8.733 -8.545 3.793 1.00 42.40 H new ATOM 0 HB3 TYR A 80 -10.298 -9.217 4.205 1.00 42.40 H new ATOM 0 HD1 TYR A 80 -12.287 -8.695 2.837 1.00 12.22 H new ATOM 0 HD2 TYR A 80 -8.460 -7.130 1.809 1.00 12.42 H new ATOM 0 HE1 TYR A 80 -13.125 -8.116 0.603 1.00 34.34 H new ATOM 0 HE2 TYR A 80 -9.297 -6.547 -0.425 1.00 51.12 H new ATOM 0 HH TYR A 80 -11.014 -6.553 -1.815 1.00 72.03 H new ATOM 1287 N GLN A 81 -9.816 -5.135 3.653 1.00 53.21 N ATOM 1288 CA GLN A 81 -9.172 -3.912 3.188 1.00 72.20 C ATOM 1289 C GLN A 81 -8.793 -3.017 4.362 1.00 4.02 C ATOM 1290 O GLN A 81 -7.622 -2.923 4.732 1.00 54.11 O ATOM 1291 CB GLN A 81 -10.095 -3.155 2.231 1.00 32.54 C ATOM 1292 CG GLN A 81 -9.780 -3.398 0.763 1.00 35.15 C ATOM 1293 CD GLN A 81 -10.008 -2.168 -0.093 1.00 34.03 C ATOM 1294 OE1 GLN A 81 -10.464 -1.133 0.396 1.00 42.43 O ATOM 1295 NE2 GLN A 81 -9.693 -2.274 -1.378 1.00 34.11 N ATOM 0 H GLN A 81 -10.753 -5.287 3.278 1.00 53.21 H new ATOM 0 HA GLN A 81 -8.261 -4.190 2.658 1.00 72.20 H new ATOM 0 HB2 GLN A 81 -11.127 -3.448 2.426 1.00 32.54 H new ATOM 0 HB3 GLN A 81 -10.023 -2.087 2.438 1.00 32.54 H new ATOM 0 HG2 GLN A 81 -8.742 -3.717 0.666 1.00 35.15 H new ATOM 0 HG3 GLN A 81 -10.400 -4.214 0.392 1.00 35.15 H new ATOM 0 HE21 GLN A 81 -9.318 -3.151 -1.741 1.00 34.11 H new ATOM 0 HE22 GLN A 81 -9.826 -1.479 -2.003 1.00 34.11 H new ATOM 1304 N SER A 82 -9.791 -2.360 4.946 1.00 22.11 N ATOM 1305 CA SER A 82 -9.561 -1.468 6.077 1.00 31.42 C ATOM 1306 C SER A 82 -8.724 -2.157 7.150 1.00 51.10 C ATOM 1307 O SER A 82 -7.933 -1.516 7.844 1.00 55.10 O ATOM 1308 CB SER A 82 -10.894 -1.010 6.670 1.00 53.20 C ATOM 1309 OG SER A 82 -10.691 -0.116 7.751 1.00 40.55 O ATOM 0 H SER A 82 -10.766 -2.429 4.655 1.00 22.11 H new ATOM 0 HA SER A 82 -9.013 -0.597 5.717 1.00 31.42 H new ATOM 0 HB2 SER A 82 -11.491 -0.523 5.899 1.00 53.20 H new ATOM 0 HB3 SER A 82 -11.460 -1.876 7.012 1.00 53.20 H new ATOM 0 HG SER A 82 -11.558 0.163 8.112 1.00 40.55 H new ATOM 1315 N LYS A 83 -8.903 -3.467 7.281 1.00 3.24 N ATOM 1316 CA LYS A 83 -8.164 -4.246 8.269 1.00 0.31 C ATOM 1317 C LYS A 83 -6.676 -4.276 7.935 1.00 72.01 C ATOM 1318 O LYS A 83 -5.829 -4.096 8.810 1.00 1.51 O ATOM 1319 CB LYS A 83 -8.712 -5.673 8.337 1.00 42.11 C ATOM 1320 CG LYS A 83 -9.934 -5.813 9.227 1.00 53.31 C ATOM 1321 CD LYS A 83 -10.563 -7.190 9.097 1.00 14.50 C ATOM 1322 CE LYS A 83 -9.714 -8.257 9.770 1.00 72.11 C ATOM 1323 NZ LYS A 83 -8.649 -8.771 8.866 1.00 73.11 N ATOM 0 H LYS A 83 -9.554 -4.012 6.715 1.00 3.24 H new ATOM 0 HA LYS A 83 -8.291 -3.769 9.241 1.00 0.31 H new ATOM 0 HB2 LYS A 83 -8.966 -6.004 7.330 1.00 42.11 H new ATOM 0 HB3 LYS A 83 -7.929 -6.337 8.702 1.00 42.11 H new ATOM 0 HG2 LYS A 83 -9.651 -5.638 10.265 1.00 53.31 H new ATOM 0 HG3 LYS A 83 -10.667 -5.051 8.963 1.00 53.31 H new ATOM 0 HD2 LYS A 83 -11.558 -7.180 9.543 1.00 14.50 H new ATOM 0 HD3 LYS A 83 -10.689 -7.435 8.042 1.00 14.50 H new ATOM 0 HE2 LYS A 83 -9.258 -7.844 10.670 1.00 72.11 H new ATOM 0 HE3 LYS A 83 -10.352 -9.083 10.086 1.00 72.11 H new ATOM 0 HZ1 LYS A 83 -8.660 -9.811 8.872 1.00 73.11 H new ATOM 0 HZ2 LYS A 83 -8.820 -8.429 7.899 1.00 73.11 H new ATOM 0 HZ3 LYS A 83 -7.722 -8.433 9.194 1.00 73.11 H new ATOM 1337 N LYS A 84 -6.364 -4.504 6.663 1.00 31.24 N ATOM 1338 CA LYS A 84 -4.978 -4.555 6.212 1.00 14.31 C ATOM 1339 C LYS A 84 -4.301 -3.198 6.378 1.00 35.43 C ATOM 1340 O LYS A 84 -3.076 -3.111 6.463 1.00 22.13 O ATOM 1341 CB LYS A 84 -4.913 -4.994 4.748 1.00 40.43 C ATOM 1342 CG LYS A 84 -4.925 -3.835 3.765 1.00 35.05 C ATOM 1343 CD LYS A 84 -3.516 -3.414 3.382 1.00 21.35 C ATOM 1344 CE LYS A 84 -3.481 -1.980 2.875 1.00 61.42 C ATOM 1345 NZ LYS A 84 -2.623 -1.841 1.666 1.00 31.04 N ATOM 0 H LYS A 84 -7.053 -4.656 5.926 1.00 31.24 H new ATOM 0 HA LYS A 84 -4.448 -5.283 6.827 1.00 14.31 H new ATOM 0 HB2 LYS A 84 -4.008 -5.582 4.593 1.00 40.43 H new ATOM 0 HB3 LYS A 84 -5.758 -5.649 4.536 1.00 40.43 H new ATOM 0 HG2 LYS A 84 -5.476 -4.122 2.869 1.00 35.05 H new ATOM 0 HG3 LYS A 84 -5.452 -2.988 4.206 1.00 35.05 H new ATOM 0 HD2 LYS A 84 -2.858 -3.512 4.246 1.00 21.35 H new ATOM 0 HD3 LYS A 84 -3.132 -4.083 2.612 1.00 21.35 H new ATOM 0 HE2 LYS A 84 -4.494 -1.652 2.641 1.00 61.42 H new ATOM 0 HE3 LYS A 84 -3.108 -1.325 3.663 1.00 61.42 H new ATOM 0 HZ1 LYS A 84 -2.855 -0.953 1.176 1.00 31.04 H new ATOM 0 HZ2 LYS A 84 -1.623 -1.829 1.950 1.00 31.04 H new ATOM 0 HZ3 LYS A 84 -2.792 -2.644 1.026 1.00 31.04 H new ATOM 1359 N LEU A 85 -5.106 -2.143 6.426 1.00 3.02 N ATOM 1360 CA LEU A 85 -4.585 -0.790 6.584 1.00 41.52 C ATOM 1361 C LEU A 85 -3.946 -0.609 7.957 1.00 31.04 C ATOM 1362 O LEU A 85 -2.961 0.116 8.106 1.00 73.10 O ATOM 1363 CB LEU A 85 -5.703 0.236 6.391 1.00 74.21 C ATOM 1364 CG LEU A 85 -5.304 1.545 5.709 1.00 32.35 C ATOM 1365 CD1 LEU A 85 -6.422 2.037 4.804 1.00 12.00 C ATOM 1366 CD2 LEU A 85 -4.952 2.601 6.747 1.00 70.44 C ATOM 0 H LEU A 85 -6.122 -2.198 6.358 1.00 3.02 H new ATOM 0 HA LEU A 85 -3.820 -0.632 5.823 1.00 41.52 H new ATOM 0 HB2 LEU A 85 -6.497 -0.228 5.806 1.00 74.21 H new ATOM 0 HB3 LEU A 85 -6.124 0.473 7.368 1.00 74.21 H new ATOM 0 HG LEU A 85 -4.423 1.359 5.095 1.00 32.35 H new ATOM 0 HD11 LEU A 85 -6.120 2.970 4.327 1.00 12.00 H new ATOM 0 HD12 LEU A 85 -6.627 1.288 4.039 1.00 12.00 H new ATOM 0 HD13 LEU A 85 -7.321 2.207 5.396 1.00 12.00 H new ATOM 0 HD21 LEU A 85 -4.670 3.526 6.244 1.00 70.44 H new ATOM 0 HD22 LEU A 85 -5.815 2.784 7.387 1.00 70.44 H new ATOM 0 HD23 LEU A 85 -4.118 2.250 7.355 1.00 70.44 H new ATOM 1378 N LYS A 86 -4.510 -1.275 8.959 1.00 31.33 N ATOM 1379 CA LYS A 86 -3.996 -1.192 10.320 1.00 3.42 C ATOM 1380 C LYS A 86 -2.681 -1.954 10.452 1.00 71.33 C ATOM 1381 O LYS A 86 -2.010 -1.878 11.481 1.00 74.33 O ATOM 1382 CB LYS A 86 -5.021 -1.748 11.310 1.00 10.34 C ATOM 1383 CG LYS A 86 -6.458 -1.416 10.948 1.00 31.00 C ATOM 1384 CD LYS A 86 -7.270 -1.035 12.175 1.00 63.31 C ATOM 1385 CE LYS A 86 -6.906 0.355 12.674 1.00 75.51 C ATOM 1386 NZ LYS A 86 -7.266 0.540 14.107 1.00 12.34 N ATOM 0 H LYS A 86 -5.325 -1.879 8.853 1.00 31.33 H new ATOM 0 HA LYS A 86 -3.812 -0.142 10.549 1.00 3.42 H new ATOM 0 HB2 LYS A 86 -4.910 -2.831 11.365 1.00 10.34 H new ATOM 0 HB3 LYS A 86 -4.805 -1.354 12.303 1.00 10.34 H new ATOM 0 HG2 LYS A 86 -6.473 -0.595 10.232 1.00 31.00 H new ATOM 0 HG3 LYS A 86 -6.918 -2.274 10.458 1.00 31.00 H new ATOM 0 HD2 LYS A 86 -8.333 -1.070 11.935 1.00 63.31 H new ATOM 0 HD3 LYS A 86 -7.098 -1.764 12.967 1.00 63.31 H new ATOM 0 HE2 LYS A 86 -5.836 0.519 12.544 1.00 75.51 H new ATOM 0 HE3 LYS A 86 -7.419 1.104 12.071 1.00 75.51 H new ATOM 0 HZ1 LYS A 86 -7.002 1.499 14.410 1.00 12.34 H new ATOM 0 HZ2 LYS A 86 -8.291 0.408 14.227 1.00 12.34 H new ATOM 0 HZ3 LYS A 86 -6.757 -0.158 14.686 1.00 12.34 H new ATOM 1400 N GLU A 87 -2.319 -2.688 9.404 1.00 54.33 N ATOM 1401 CA GLU A 87 -1.084 -3.462 9.404 1.00 73.05 C ATOM 1402 C GLU A 87 0.135 -2.545 9.418 1.00 14.50 C ATOM 1403 O GLU A 87 0.783 -2.370 10.450 1.00 13.33 O ATOM 1404 CB GLU A 87 -1.032 -4.379 8.180 1.00 73.43 C ATOM 1405 CG GLU A 87 -2.146 -5.412 8.144 1.00 23.24 C ATOM 1406 CD GLU A 87 -1.909 -6.559 9.109 1.00 54.15 C ATOM 1407 OE1 GLU A 87 -2.325 -6.443 10.281 1.00 50.20 O ATOM 1408 OE2 GLU A 87 -1.308 -7.570 8.692 1.00 64.50 O ATOM 0 H GLU A 87 -2.864 -2.762 8.545 1.00 54.33 H new ATOM 0 HA GLU A 87 -1.068 -4.071 10.308 1.00 73.05 H new ATOM 0 HB2 GLU A 87 -1.084 -3.770 7.278 1.00 73.43 H new ATOM 0 HB3 GLU A 87 -0.071 -4.893 8.162 1.00 73.43 H new ATOM 0 HG2 GLU A 87 -3.093 -4.929 8.385 1.00 23.24 H new ATOM 0 HG3 GLU A 87 -2.238 -5.806 7.132 1.00 23.24 H new ATOM 1415 N LEU A 88 0.441 -1.961 8.264 1.00 1.20 N ATOM 1416 CA LEU A 88 1.583 -1.060 8.142 1.00 32.22 C ATOM 1417 C LEU A 88 1.366 0.208 8.962 1.00 71.41 C ATOM 1418 O LEU A 88 2.260 1.047 9.076 1.00 33.35 O ATOM 1419 CB LEU A 88 1.816 -0.698 6.675 1.00 43.11 C ATOM 1420 CG LEU A 88 0.565 -0.393 5.850 1.00 12.52 C ATOM 1421 CD1 LEU A 88 -0.041 -1.676 5.305 1.00 32.12 C ATOM 1422 CD2 LEU A 88 -0.454 0.367 6.689 1.00 64.52 C ATOM 0 H LEU A 88 -0.085 -2.095 7.400 1.00 1.20 H new ATOM 0 HA LEU A 88 2.463 -1.574 8.528 1.00 32.22 H new ATOM 0 HB2 LEU A 88 2.473 0.171 6.636 1.00 43.11 H new ATOM 0 HB3 LEU A 88 2.349 -1.521 6.199 1.00 43.11 H new ATOM 0 HG LEU A 88 0.853 0.235 5.007 1.00 12.52 H new ATOM 0 HD11 LEU A 88 -0.930 -1.439 4.721 1.00 32.12 H new ATOM 0 HD12 LEU A 88 0.687 -2.181 4.670 1.00 32.12 H new ATOM 0 HD13 LEU A 88 -0.315 -2.330 6.133 1.00 32.12 H new ATOM 0 HD21 LEU A 88 -1.338 0.576 6.087 1.00 64.52 H new ATOM 0 HD22 LEU A 88 -0.737 -0.236 7.552 1.00 64.52 H new ATOM 0 HD23 LEU A 88 -0.017 1.306 7.030 1.00 64.52 H new ATOM 1434 N THR A 89 0.174 0.339 9.534 1.00 12.44 N ATOM 1435 CA THR A 89 -0.160 1.504 10.345 1.00 74.13 C ATOM 1436 C THR A 89 0.720 1.580 11.587 1.00 24.22 C ATOM 1437 O THR A 89 0.930 2.657 12.145 1.00 31.03 O ATOM 1438 CB THR A 89 -1.639 1.482 10.778 1.00 2.14 C ATOM 1439 OG1 THR A 89 -2.178 2.807 10.746 1.00 15.22 O ATOM 1440 CG2 THR A 89 -1.783 0.904 12.178 1.00 33.12 C ATOM 0 H THR A 89 -0.577 -0.347 9.451 1.00 12.44 H new ATOM 0 HA THR A 89 0.016 2.382 9.724 1.00 74.13 H new ATOM 0 HB THR A 89 -2.190 0.850 10.082 1.00 2.14 H new ATOM 0 HG1 THR A 89 -3.118 2.784 11.021 1.00 15.22 H new ATOM 0 HG21 THR A 89 -2.835 0.898 12.463 1.00 33.12 H new ATOM 0 HG22 THR A 89 -1.398 -0.116 12.192 1.00 33.12 H new ATOM 0 HG23 THR A 89 -1.220 1.515 12.883 1.00 33.12 H new ATOM 1448 N SER A 90 1.234 0.431 12.014 1.00 0.30 N ATOM 1449 CA SER A 90 2.090 0.367 13.193 1.00 42.45 C ATOM 1450 C SER A 90 3.499 0.854 12.867 1.00 50.04 C ATOM 1451 O SER A 90 4.088 1.630 13.620 1.00 65.03 O ATOM 1452 CB SER A 90 2.145 -1.063 13.733 1.00 70.04 C ATOM 1453 OG SER A 90 2.717 -1.097 15.028 1.00 32.04 O ATOM 0 H SER A 90 1.073 -0.469 11.561 1.00 0.30 H new ATOM 0 HA SER A 90 1.665 1.019 13.956 1.00 42.45 H new ATOM 0 HB2 SER A 90 1.139 -1.482 13.765 1.00 70.04 H new ATOM 0 HB3 SER A 90 2.729 -1.688 13.057 1.00 70.04 H new ATOM 0 HG SER A 90 2.739 -2.022 15.352 1.00 32.04 H new ATOM 1459 N ILE A 91 4.033 0.393 11.740 1.00 33.12 N ATOM 1460 CA ILE A 91 5.372 0.782 11.314 1.00 35.42 C ATOM 1461 C ILE A 91 5.442 2.276 11.022 1.00 43.43 C ATOM 1462 O ILE A 91 6.503 2.892 11.135 1.00 52.24 O ATOM 1463 CB ILE A 91 5.811 0.003 10.060 1.00 33.52 C ATOM 1464 CG1 ILE A 91 5.628 -1.500 10.277 1.00 74.13 C ATOM 1465 CG2 ILE A 91 7.259 0.322 9.720 1.00 11.25 C ATOM 1466 CD1 ILE A 91 6.014 -2.335 9.076 1.00 65.44 C ATOM 0 H ILE A 91 3.559 -0.250 11.106 1.00 33.12 H new ATOM 0 HA ILE A 91 6.048 0.543 12.135 1.00 35.42 H new ATOM 0 HB ILE A 91 5.185 0.309 9.222 1.00 33.52 H new ATOM 0 HG12 ILE A 91 6.227 -1.811 11.133 1.00 74.13 H new ATOM 0 HG13 ILE A 91 4.586 -1.699 10.528 1.00 74.13 H new ATOM 0 HG21 ILE A 91 7.556 -0.236 8.832 1.00 11.25 H new ATOM 0 HG22 ILE A 91 7.361 1.390 9.529 1.00 11.25 H new ATOM 0 HG23 ILE A 91 7.900 0.040 10.556 1.00 11.25 H new ATOM 0 HD11 ILE A 91 5.859 -3.390 9.301 1.00 65.44 H new ATOM 0 HD12 ILE A 91 5.398 -2.052 8.223 1.00 65.44 H new ATOM 0 HD13 ILE A 91 7.064 -2.166 8.837 1.00 65.44 H new ATOM 1478 N SER A 92 4.306 2.855 10.646 1.00 23.13 N ATOM 1479 CA SER A 92 4.240 4.278 10.336 1.00 43.34 C ATOM 1480 C SER A 92 4.361 5.117 11.604 1.00 44.53 C ATOM 1481 O SER A 92 3.654 4.887 12.584 1.00 40.43 O ATOM 1482 CB SER A 92 2.929 4.605 9.619 1.00 74.24 C ATOM 1483 OG SER A 92 2.692 3.701 8.552 1.00 2.43 O ATOM 0 H SER A 92 3.419 2.360 10.549 1.00 23.13 H new ATOM 0 HA SER A 92 5.076 4.520 9.680 1.00 43.34 H new ATOM 0 HB2 SER A 92 2.102 4.561 10.328 1.00 74.24 H new ATOM 0 HB3 SER A 92 2.965 5.624 9.235 1.00 74.24 H new ATOM 0 HG SER A 92 2.450 2.823 8.915 1.00 2.43 H new