USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 738 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 83 ASN : amide:sc= 0.696 K(o=1.3,f=-0.35) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -174:sc= 0.644 (180deg=0) USER MOD Set 2.1: A 16 GLN : amide:sc= -0.229 K(o=0.067,f=-2.7) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 172:sc= 0.296 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.71) USER MOD Single : A 15 THR OG1 : rot 33:sc= 0.0522 USER MOD Single : A 18 THR OG1 : rot 66:sc= 0.19 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.631 F(o=-2.7!,f=-0.63) USER MOD Single : A 23 SER OG : rot 28:sc= 0.201 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0219 (180deg=-0.185) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 149:sc= -0.141 (180deg=-0.649) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.00846 USER MOD Single : A 49 SER OG : rot -128:sc= 1.41 USER MOD Single : A 54 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.028) USER MOD Single : A 63 SER OG : rot -62:sc= 0.233 USER MOD Single : A 70 SER OG : rot -75:sc= 0.09 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.17) USER MOD Single : A 77 ASN : amide:sc= -0.556 K(o=-0.56,f=-2.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 94 MET CE :methyl -131:sc= -0.194 (180deg=-0.966) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -15:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 -0.221 -4.589 11.286 1.00 43.32 N ATOM 202 CA ILE A 13 0.576 -3.769 10.361 1.00 15.24 C ATOM 203 C ILE A 13 1.591 -2.927 11.165 1.00 23.25 C ATOM 204 O ILE A 13 1.215 -2.174 12.073 1.00 51.30 O ATOM 205 CB ILE A 13 -0.325 -2.858 9.444 1.00 30.01 C ATOM 206 CG1 ILE A 13 -1.264 -3.758 8.572 1.00 32.32 C ATOM 207 CG2 ILE A 13 0.534 -1.908 8.559 1.00 13.44 C ATOM 208 CD1 ILE A 13 -2.141 -3.017 7.582 1.00 60.10 C ATOM 0 HA ILE A 13 1.116 -4.438 9.690 1.00 15.24 H new ATOM 0 HB ILE A 13 -0.939 -2.222 10.081 1.00 30.01 H new ATOM 0 HG12 ILE A 13 -0.649 -4.471 8.023 1.00 32.32 H new ATOM 0 HG13 ILE A 13 -1.905 -4.336 9.237 1.00 32.32 H new ATOM 0 HG21 ILE A 13 -0.122 -1.295 7.940 1.00 13.44 H new ATOM 0 HG22 ILE A 13 1.138 -1.263 9.197 1.00 13.44 H new ATOM 0 HG23 ILE A 13 1.188 -2.500 7.919 1.00 13.44 H new ATOM 0 HD11 ILE A 13 -2.751 -3.732 7.030 1.00 60.10 H new ATOM 0 HD12 ILE A 13 -2.790 -2.324 8.118 1.00 60.10 H new ATOM 0 HD13 ILE A 13 -1.514 -2.461 6.885 1.00 60.10 H new ATOM 220 N GLN A 14 2.871 -3.103 10.819 1.00 61.40 N ATOM 221 CA GLN A 14 4.017 -2.400 11.402 1.00 31.01 C ATOM 222 C GLN A 14 4.425 -1.294 10.412 1.00 61.30 C ATOM 223 O GLN A 14 4.741 -1.585 9.257 1.00 52.44 O ATOM 224 CB GLN A 14 5.150 -3.450 11.636 1.00 54.14 C ATOM 225 CG GLN A 14 6.455 -2.966 12.323 1.00 30.43 C ATOM 226 CD GLN A 14 7.421 -2.197 11.408 1.00 5.14 C ATOM 227 OE1 GLN A 14 7.448 -0.968 11.384 1.00 74.44 O ATOM 228 NE2 GLN A 14 8.182 -2.921 10.609 1.00 73.31 N ATOM 0 H GLN A 14 3.147 -3.767 10.095 1.00 61.40 H new ATOM 0 HA GLN A 14 3.793 -1.934 12.361 1.00 31.01 H new ATOM 0 HB2 GLN A 14 4.737 -4.261 12.236 1.00 54.14 H new ATOM 0 HB3 GLN A 14 5.418 -3.874 10.669 1.00 54.14 H new ATOM 0 HG2 GLN A 14 6.190 -2.327 13.165 1.00 30.43 H new ATOM 0 HG3 GLN A 14 6.976 -3.832 12.731 1.00 30.43 H new ATOM 0 HE21 GLN A 14 8.140 -3.939 10.649 1.00 73.31 H new ATOM 0 HE22 GLN A 14 8.812 -2.462 9.951 1.00 73.31 H new ATOM 237 N THR A 15 4.398 -0.029 10.850 1.00 3.11 N ATOM 238 CA THR A 15 4.701 1.120 9.981 1.00 15.33 C ATOM 239 C THR A 15 6.139 1.621 10.236 1.00 12.22 C ATOM 240 O THR A 15 6.518 1.895 11.378 1.00 44.51 O ATOM 241 CB THR A 15 3.665 2.278 10.186 1.00 34.01 C ATOM 242 OG1 THR A 15 3.621 2.671 11.569 1.00 71.23 O ATOM 243 CG2 THR A 15 2.252 1.868 9.728 1.00 41.21 C ATOM 0 H THR A 15 4.167 0.228 11.810 1.00 3.11 H new ATOM 0 HA THR A 15 4.626 0.789 8.945 1.00 15.33 H new ATOM 0 HB THR A 15 3.994 3.118 9.574 1.00 34.01 H new ATOM 0 HG1 THR A 15 4.508 2.558 11.969 1.00 71.23 H new ATOM 0 HG21 THR A 15 1.563 2.698 9.886 1.00 41.21 H new ATOM 0 HG22 THR A 15 2.273 1.611 8.669 1.00 41.21 H new ATOM 0 HG23 THR A 15 1.919 1.005 10.304 1.00 41.21 H new ATOM 251 N GLN A 16 6.914 1.751 9.153 1.00 1.30 N ATOM 252 CA GLN A 16 8.325 2.154 9.169 1.00 44.21 C ATOM 253 C GLN A 16 8.459 3.444 8.360 1.00 63.32 C ATOM 254 O GLN A 16 7.871 3.555 7.279 1.00 44.20 O ATOM 255 CB GLN A 16 9.206 1.025 8.563 1.00 75.44 C ATOM 256 CG GLN A 16 10.691 1.392 8.345 1.00 13.23 C ATOM 257 CD GLN A 16 11.549 0.233 7.824 1.00 52.12 C ATOM 258 OE1 GLN A 16 11.061 -0.680 7.155 1.00 23.54 O ATOM 259 NE2 GLN A 16 12.844 0.274 8.099 1.00 1.34 N ATOM 0 H GLN A 16 6.565 1.573 8.211 1.00 1.30 H new ATOM 0 HA GLN A 16 8.663 2.326 10.191 1.00 44.21 H new ATOM 0 HB2 GLN A 16 9.156 0.156 9.219 1.00 75.44 H new ATOM 0 HB3 GLN A 16 8.778 0.727 7.606 1.00 75.44 H new ATOM 0 HG2 GLN A 16 10.750 2.220 7.639 1.00 13.23 H new ATOM 0 HG3 GLN A 16 11.110 1.746 9.287 1.00 13.23 H new ATOM 0 HE21 GLN A 16 13.223 1.041 8.655 1.00 1.34 H new ATOM 0 HE22 GLN A 16 13.462 -0.461 7.755 1.00 1.34 H new ATOM 268 N ASP A 17 9.209 4.416 8.890 1.00 11.43 N ATOM 269 CA ASP A 17 9.428 5.710 8.225 1.00 41.00 C ATOM 270 C ASP A 17 10.449 5.571 7.088 1.00 11.45 C ATOM 271 O ASP A 17 11.281 4.658 7.074 1.00 15.45 O ATOM 272 CB ASP A 17 9.906 6.779 9.240 1.00 1.41 C ATOM 273 CG ASP A 17 8.884 7.039 10.359 1.00 31.25 C ATOM 274 OD1 ASP A 17 8.871 6.273 11.346 1.00 30.12 O ATOM 275 OD2 ASP A 17 8.082 8.003 10.254 1.00 35.11 O ATOM 0 H ASP A 17 9.681 4.331 9.790 1.00 11.43 H new ATOM 0 HA ASP A 17 8.476 6.033 7.803 1.00 41.00 H new ATOM 0 HB2 ASP A 17 10.848 6.457 9.683 1.00 1.41 H new ATOM 0 HB3 ASP A 17 10.104 7.712 8.712 1.00 1.41 H new ATOM 280 N THR A 18 10.364 6.519 6.150 1.00 50.23 N ATOM 281 CA THR A 18 11.218 6.619 4.959 1.00 34.42 C ATOM 282 C THR A 18 11.780 8.062 4.908 1.00 62.31 C ATOM 283 O THR A 18 11.165 8.958 5.510 1.00 51.22 O ATOM 284 CB THR A 18 10.391 6.288 3.654 1.00 10.03 C ATOM 285 OG1 THR A 18 9.257 7.161 3.537 1.00 64.41 O ATOM 286 CG2 THR A 18 9.893 4.831 3.628 1.00 31.24 C ATOM 0 H THR A 18 9.673 7.267 6.200 1.00 50.23 H new ATOM 0 HA THR A 18 12.035 5.899 5.012 1.00 34.42 H new ATOM 0 HB THR A 18 11.071 6.436 2.815 1.00 10.03 H new ATOM 0 HG1 THR A 18 9.565 8.081 3.402 1.00 64.41 H new ATOM 0 HG21 THR A 18 9.331 4.655 2.711 1.00 31.24 H new ATOM 0 HG22 THR A 18 10.746 4.154 3.666 1.00 31.24 H new ATOM 0 HG23 THR A 18 9.249 4.651 4.489 1.00 31.24 H new ATOM 294 N PRO A 19 12.951 8.326 4.220 1.00 23.41 N ATOM 295 CA PRO A 19 13.538 9.699 4.103 1.00 65.33 C ATOM 296 C PRO A 19 12.540 10.774 3.597 1.00 14.13 C ATOM 297 O PRO A 19 12.688 11.962 3.901 1.00 53.11 O ATOM 298 CB PRO A 19 14.703 9.505 3.101 1.00 52.54 C ATOM 299 CG PRO A 19 15.106 8.072 3.279 1.00 35.42 C ATOM 300 CD PRO A 19 13.812 7.319 3.533 1.00 31.11 C ATOM 0 HA PRO A 19 13.846 10.079 5.077 1.00 65.33 H new ATOM 0 HB2 PRO A 19 14.386 9.705 2.078 1.00 52.54 H new ATOM 0 HB3 PRO A 19 15.530 10.181 3.316 1.00 52.54 H new ATOM 0 HG2 PRO A 19 15.614 7.693 2.392 1.00 35.42 H new ATOM 0 HG3 PRO A 19 15.797 7.959 4.114 1.00 35.42 H new ATOM 0 HD2 PRO A 19 13.360 6.972 2.603 1.00 31.11 H new ATOM 0 HD3 PRO A 19 13.975 6.439 4.155 1.00 31.11 H new ATOM 308 N ASN A 20 11.527 10.329 2.828 1.00 75.12 N ATOM 309 CA ASN A 20 10.442 11.191 2.318 1.00 54.35 C ATOM 310 C ASN A 20 9.210 11.098 3.253 1.00 31.54 C ATOM 311 O ASN A 20 8.619 10.023 3.358 1.00 45.14 O ATOM 312 CB ASN A 20 10.053 10.755 0.880 1.00 15.51 C ATOM 313 CG ASN A 20 11.239 10.799 -0.086 1.00 3.15 C ATOM 314 OD1 ASN A 20 11.973 9.823 -0.233 1.00 34.00 O ATOM 315 ND2 ASN A 20 11.446 11.931 -0.739 1.00 72.32 N ATOM 0 H ASN A 20 11.438 9.354 2.541 1.00 75.12 H new ATOM 0 HA ASN A 20 10.789 12.224 2.293 1.00 54.35 H new ATOM 0 HB2 ASN A 20 9.648 9.743 0.907 1.00 15.51 H new ATOM 0 HB3 ASN A 20 9.261 11.405 0.508 1.00 15.51 H new ATOM 0 HD21 ASN A 20 12.231 12.011 -1.385 1.00 72.32 H new ATOM 0 HD22 ASN A 20 10.820 12.724 -0.597 1.00 72.32 H new ATOM 322 N PRO A 21 8.801 12.215 3.954 1.00 24.10 N ATOM 323 CA PRO A 21 7.559 12.242 4.790 1.00 1.25 C ATOM 324 C PRO A 21 6.269 12.145 3.935 1.00 64.21 C ATOM 325 O PRO A 21 5.188 11.823 4.450 1.00 73.41 O ATOM 326 CB PRO A 21 7.658 13.601 5.531 1.00 43.03 C ATOM 327 CG PRO A 21 8.514 14.457 4.642 1.00 42.11 C ATOM 328 CD PRO A 21 9.524 13.518 4.016 1.00 75.32 C ATOM 0 HA PRO A 21 7.493 11.390 5.467 1.00 1.25 H new ATOM 0 HB2 PRO A 21 6.673 14.044 5.679 1.00 43.03 H new ATOM 0 HB3 PRO A 21 8.106 13.483 6.518 1.00 43.03 H new ATOM 0 HG2 PRO A 21 7.913 14.951 3.878 1.00 42.11 H new ATOM 0 HG3 PRO A 21 9.010 15.241 5.214 1.00 42.11 H new ATOM 0 HD2 PRO A 21 9.825 13.857 3.025 1.00 75.32 H new ATOM 0 HD3 PRO A 21 10.430 13.445 4.617 1.00 75.32 H new ATOM 336 N ASN A 22 6.414 12.417 2.621 1.00 71.43 N ATOM 337 CA ASN A 22 5.340 12.248 1.620 1.00 4.44 C ATOM 338 C ASN A 22 5.034 10.759 1.365 1.00 72.22 C ATOM 339 O ASN A 22 4.034 10.429 0.725 1.00 73.24 O ATOM 340 CB ASN A 22 5.725 12.943 0.290 1.00 64.35 C ATOM 341 CG ASN A 22 5.735 14.464 0.397 1.00 70.41 C ATOM 342 OD1 ASN A 22 4.617 15.091 0.070 1.00 41.24 O flip ATOM 343 ND2 ASN A 22 6.740 15.069 0.763 1.00 33.24 N flip ATOM 0 H ASN A 22 7.287 12.763 2.222 1.00 71.43 H new ATOM 0 HA ASN A 22 4.440 12.715 2.021 1.00 4.44 H new ATOM 0 HB2 ASN A 22 6.711 12.599 -0.022 1.00 64.35 H new ATOM 0 HB3 ASN A 22 5.023 12.643 -0.488 1.00 64.35 H new ATOM 0 HD21 ASN A 22 7.585 14.553 1.008 1.00 33.24 H new ATOM 0 HD22 ASN A 22 6.729 16.087 0.822 1.00 33.24 H new ATOM 350 N SER A 23 5.903 9.881 1.866 1.00 52.22 N ATOM 351 CA SER A 23 5.729 8.430 1.780 1.00 70.34 C ATOM 352 C SER A 23 5.763 7.834 3.199 1.00 14.41 C ATOM 353 O SER A 23 6.290 8.455 4.124 1.00 12.01 O ATOM 354 CB SER A 23 6.831 7.817 0.889 1.00 50.51 C ATOM 355 OG SER A 23 6.562 6.460 0.599 1.00 55.33 O ATOM 0 H SER A 23 6.757 10.160 2.348 1.00 52.22 H new ATOM 0 HA SER A 23 4.766 8.197 1.325 1.00 70.34 H new ATOM 0 HB2 SER A 23 6.906 8.382 -0.040 1.00 50.51 H new ATOM 0 HB3 SER A 23 7.795 7.900 1.391 1.00 50.51 H new ATOM 0 HG SER A 23 5.594 6.307 0.620 1.00 55.33 H new ATOM 361 N LEU A 24 5.114 6.679 3.374 1.00 34.12 N ATOM 362 CA LEU A 24 5.257 5.840 4.576 1.00 2.32 C ATOM 363 C LEU A 24 5.195 4.375 4.154 1.00 4.41 C ATOM 364 O LEU A 24 4.408 3.998 3.274 1.00 70.50 O ATOM 365 CB LEU A 24 4.164 6.144 5.640 1.00 14.12 C ATOM 366 CG LEU A 24 4.317 5.433 7.029 1.00 21.54 C ATOM 367 CD1 LEU A 24 5.615 5.858 7.743 1.00 24.45 C ATOM 368 CD2 LEU A 24 3.083 5.679 7.926 1.00 42.24 C ATOM 0 H LEU A 24 4.470 6.294 2.683 1.00 34.12 H new ATOM 0 HA LEU A 24 6.217 6.063 5.043 1.00 2.32 H new ATOM 0 HB2 LEU A 24 4.144 7.221 5.809 1.00 14.12 H new ATOM 0 HB3 LEU A 24 3.196 5.869 5.222 1.00 14.12 H new ATOM 0 HG LEU A 24 4.382 4.362 6.839 1.00 21.54 H new ATOM 0 HD11 LEU A 24 5.687 5.345 8.702 1.00 24.45 H new ATOM 0 HD12 LEU A 24 6.473 5.594 7.125 1.00 24.45 H new ATOM 0 HD13 LEU A 24 5.604 6.935 7.907 1.00 24.45 H new ATOM 0 HD21 LEU A 24 3.221 5.173 8.881 1.00 42.24 H new ATOM 0 HD22 LEU A 24 2.964 6.749 8.096 1.00 42.24 H new ATOM 0 HD23 LEU A 24 2.192 5.289 7.434 1.00 42.24 H new ATOM 380 N LYS A 25 6.033 3.565 4.785 1.00 13.44 N ATOM 381 CA LYS A 25 6.165 2.146 4.494 1.00 55.55 C ATOM 382 C LYS A 25 5.266 1.352 5.463 1.00 51.32 C ATOM 383 O LYS A 25 5.451 1.421 6.674 1.00 43.32 O ATOM 384 CB LYS A 25 7.657 1.764 4.634 1.00 33.24 C ATOM 385 CG LYS A 25 8.024 0.334 4.218 1.00 32.04 C ATOM 386 CD LYS A 25 9.535 0.070 4.377 1.00 30.11 C ATOM 387 CE LYS A 25 9.942 -1.349 3.977 1.00 54.34 C ATOM 388 NZ LYS A 25 11.379 -1.613 4.255 1.00 23.31 N ATOM 0 H LYS A 25 6.653 3.884 5.529 1.00 13.44 H new ATOM 0 HA LYS A 25 5.844 1.910 3.479 1.00 55.55 H new ATOM 0 HB2 LYS A 25 8.248 2.458 4.036 1.00 33.24 H new ATOM 0 HB3 LYS A 25 7.953 1.907 5.673 1.00 33.24 H new ATOM 0 HG2 LYS A 25 7.463 -0.378 4.824 1.00 32.04 H new ATOM 0 HG3 LYS A 25 7.732 0.169 3.181 1.00 32.04 H new ATOM 0 HD2 LYS A 25 10.089 0.785 3.769 1.00 30.11 H new ATOM 0 HD3 LYS A 25 9.821 0.245 5.414 1.00 30.11 H new ATOM 0 HE2 LYS A 25 9.329 -2.069 4.519 1.00 54.34 H new ATOM 0 HE3 LYS A 25 9.744 -1.498 2.915 1.00 54.34 H new ATOM 0 HZ1 LYS A 25 11.584 -2.621 4.098 1.00 23.31 H new ATOM 0 HZ2 LYS A 25 11.967 -1.037 3.619 1.00 23.31 H new ATOM 0 HZ3 LYS A 25 11.593 -1.366 5.242 1.00 23.31 H new ATOM 402 N PHE A 26 4.270 0.642 4.918 1.00 52.13 N ATOM 403 CA PHE A 26 3.332 -0.182 5.689 1.00 74.55 C ATOM 404 C PHE A 26 3.717 -1.662 5.513 1.00 72.13 C ATOM 405 O PHE A 26 3.378 -2.272 4.494 1.00 51.15 O ATOM 406 CB PHE A 26 1.870 0.066 5.199 1.00 72.14 C ATOM 407 CG PHE A 26 1.372 1.504 5.392 1.00 75.12 C ATOM 408 CD1 PHE A 26 1.679 2.508 4.465 1.00 41.25 C ATOM 409 CD2 PHE A 26 0.604 1.854 6.505 1.00 24.51 C ATOM 410 CE1 PHE A 26 1.235 3.807 4.649 1.00 45.52 C ATOM 411 CE2 PHE A 26 0.164 3.154 6.686 1.00 11.30 C ATOM 412 CZ PHE A 26 0.480 4.128 5.759 1.00 45.11 C ATOM 0 H PHE A 26 4.091 0.624 3.914 1.00 52.13 H new ATOM 0 HA PHE A 26 3.384 0.085 6.745 1.00 74.55 H new ATOM 0 HB2 PHE A 26 1.806 -0.189 4.141 1.00 72.14 H new ATOM 0 HB3 PHE A 26 1.202 -0.611 5.731 1.00 72.14 H new ATOM 0 HD1 PHE A 26 2.270 2.266 3.594 1.00 41.25 H new ATOM 0 HD2 PHE A 26 0.350 1.100 7.235 1.00 24.51 H new ATOM 0 HE1 PHE A 26 1.480 4.569 3.924 1.00 45.52 H new ATOM 0 HE2 PHE A 26 -0.427 3.407 7.554 1.00 11.30 H new ATOM 0 HZ PHE A 26 0.136 5.142 5.903 1.00 45.11 H new ATOM 422 N ILE A 27 4.470 -2.224 6.479 1.00 60.23 N ATOM 423 CA ILE A 27 4.740 -3.674 6.533 1.00 31.34 C ATOM 424 C ILE A 27 3.446 -4.349 7.029 1.00 3.15 C ATOM 425 O ILE A 27 3.048 -4.113 8.168 1.00 23.54 O ATOM 426 CB ILE A 27 5.941 -4.068 7.509 1.00 75.10 C ATOM 427 CG1 ILE A 27 7.314 -3.463 7.049 1.00 11.14 C ATOM 428 CG2 ILE A 27 6.058 -5.612 7.670 1.00 0.01 C ATOM 429 CD1 ILE A 27 7.480 -1.962 7.259 1.00 65.11 C ATOM 0 H ILE A 27 4.903 -1.693 7.235 1.00 60.23 H new ATOM 0 HA ILE A 27 5.040 -4.004 5.539 1.00 31.34 H new ATOM 0 HB ILE A 27 5.701 -3.633 8.479 1.00 75.10 H new ATOM 0 HG12 ILE A 27 8.113 -3.976 7.583 1.00 11.14 H new ATOM 0 HG13 ILE A 27 7.449 -3.680 5.989 1.00 11.14 H new ATOM 0 HG21 ILE A 27 6.885 -5.846 8.340 1.00 0.01 H new ATOM 0 HG22 ILE A 27 5.131 -6.006 8.086 1.00 0.01 H new ATOM 0 HG23 ILE A 27 6.240 -6.067 6.696 1.00 0.01 H new ATOM 0 HD11 ILE A 27 8.464 -1.652 6.907 1.00 65.11 H new ATOM 0 HD12 ILE A 27 6.710 -1.429 6.701 1.00 65.11 H new ATOM 0 HD13 ILE A 27 7.385 -1.730 8.320 1.00 65.11 H new ATOM 441 N PRO A 28 2.752 -5.187 6.193 1.00 34.10 N ATOM 442 CA PRO A 28 1.450 -5.795 6.580 1.00 42.12 C ATOM 443 C PRO A 28 1.593 -6.926 7.630 1.00 21.25 C ATOM 444 O PRO A 28 0.593 -7.462 8.117 1.00 24.24 O ATOM 445 CB PRO A 28 0.922 -6.335 5.231 1.00 71.05 C ATOM 446 CG PRO A 28 2.154 -6.670 4.455 1.00 62.45 C ATOM 447 CD PRO A 28 3.174 -5.614 4.825 1.00 24.45 C ATOM 0 HA PRO A 28 0.784 -5.081 7.065 1.00 42.12 H new ATOM 0 HB2 PRO A 28 0.292 -7.213 5.374 1.00 71.05 H new ATOM 0 HB3 PRO A 28 0.318 -5.590 4.714 1.00 71.05 H new ATOM 0 HG2 PRO A 28 2.515 -7.667 4.706 1.00 62.45 H new ATOM 0 HG3 PRO A 28 1.955 -6.663 3.383 1.00 62.45 H new ATOM 0 HD2 PRO A 28 4.187 -6.017 4.825 1.00 24.45 H new ATOM 0 HD3 PRO A 28 3.162 -4.781 4.123 1.00 24.45 H new ATOM 455 N GLY A 29 2.847 -7.290 7.949 1.00 51.51 N ATOM 456 CA GLY A 29 3.147 -8.395 8.858 1.00 13.54 C ATOM 457 C GLY A 29 3.334 -9.699 8.093 1.00 31.40 C ATOM 458 O GLY A 29 4.226 -10.498 8.411 1.00 71.42 O ATOM 0 H GLY A 29 3.676 -6.823 7.581 1.00 51.51 H new ATOM 0 HA2 GLY A 29 4.051 -8.169 9.424 1.00 13.54 H new ATOM 0 HA3 GLY A 29 2.338 -8.506 9.580 1.00 13.54 H new ATOM 462 N LYS A 30 2.462 -9.915 7.090 1.00 51.14 N ATOM 463 CA LYS A 30 2.531 -11.062 6.171 1.00 73.34 C ATOM 464 C LYS A 30 3.497 -10.760 4.992 1.00 12.15 C ATOM 465 O LYS A 30 3.706 -9.587 4.659 1.00 55.21 O ATOM 466 CB LYS A 30 1.104 -11.380 5.640 1.00 11.04 C ATOM 467 CG LYS A 30 0.120 -11.851 6.732 1.00 35.54 C ATOM 468 CD LYS A 30 -1.283 -12.174 6.170 1.00 11.54 C ATOM 469 CE LYS A 30 -2.222 -12.804 7.211 1.00 50.12 C ATOM 470 NZ LYS A 30 -1.714 -14.117 7.684 1.00 13.43 N ATOM 0 H LYS A 30 1.681 -9.289 6.895 1.00 51.14 H new ATOM 0 HA LYS A 30 2.917 -11.929 6.707 1.00 73.34 H new ATOM 0 HB2 LYS A 30 0.699 -10.489 5.160 1.00 11.04 H new ATOM 0 HB3 LYS A 30 1.176 -12.151 4.873 1.00 11.04 H new ATOM 0 HG2 LYS A 30 0.524 -12.737 7.222 1.00 35.54 H new ATOM 0 HG3 LYS A 30 0.032 -11.077 7.495 1.00 35.54 H new ATOM 0 HD2 LYS A 30 -1.735 -11.258 5.790 1.00 11.54 H new ATOM 0 HD3 LYS A 30 -1.181 -12.854 5.324 1.00 11.54 H new ATOM 0 HE2 LYS A 30 -2.331 -12.128 8.060 1.00 50.12 H new ATOM 0 HE3 LYS A 30 -3.213 -12.932 6.777 1.00 50.12 H new ATOM 0 HZ1 LYS A 30 -2.464 -14.611 8.208 1.00 13.43 H new ATOM 0 HZ2 LYS A 30 -1.426 -14.693 6.867 1.00 13.43 H new ATOM 0 HZ3 LYS A 30 -0.896 -13.968 8.308 1.00 13.43 H new ATOM 484 N PRO A 31 4.111 -11.811 4.353 1.00 43.23 N ATOM 485 CA PRO A 31 4.932 -11.629 3.126 1.00 33.22 C ATOM 486 C PRO A 31 4.073 -11.162 1.920 1.00 45.43 C ATOM 487 O PRO A 31 2.892 -11.519 1.834 1.00 4.54 O ATOM 488 CB PRO A 31 5.542 -13.043 2.894 1.00 1.32 C ATOM 489 CG PRO A 31 4.602 -13.989 3.574 1.00 2.11 C ATOM 490 CD PRO A 31 4.077 -13.241 4.782 1.00 11.32 C ATOM 0 HA PRO A 31 5.690 -10.854 3.233 1.00 33.22 H new ATOM 0 HB2 PRO A 31 5.626 -13.267 1.830 1.00 1.32 H new ATOM 0 HB3 PRO A 31 6.545 -13.114 3.314 1.00 1.32 H new ATOM 0 HG2 PRO A 31 3.789 -14.280 2.909 1.00 2.11 H new ATOM 0 HG3 PRO A 31 5.114 -14.904 3.871 1.00 2.11 H new ATOM 0 HD2 PRO A 31 3.067 -13.558 5.041 1.00 11.32 H new ATOM 0 HD3 PRO A 31 4.700 -13.411 5.660 1.00 11.32 H new ATOM 498 N VAL A 32 4.662 -10.346 1.002 1.00 15.11 N ATOM 499 CA VAL A 32 3.940 -9.821 -0.191 1.00 51.51 C ATOM 500 C VAL A 32 4.745 -10.060 -1.499 1.00 24.24 C ATOM 501 O VAL A 32 4.213 -10.633 -2.460 1.00 34.14 O ATOM 502 CB VAL A 32 3.509 -8.290 -0.063 1.00 13.03 C ATOM 503 CG1 VAL A 32 2.632 -8.051 1.183 1.00 44.33 C ATOM 504 CG2 VAL A 32 4.693 -7.305 -0.101 1.00 20.12 C ATOM 0 H VAL A 32 5.632 -10.038 1.066 1.00 15.11 H new ATOM 0 HA VAL A 32 3.014 -10.394 -0.241 1.00 51.51 H new ATOM 0 HB VAL A 32 2.914 -8.081 -0.952 1.00 13.03 H new ATOM 0 HG11 VAL A 32 2.357 -6.998 1.238 1.00 44.33 H new ATOM 0 HG12 VAL A 32 1.729 -8.658 1.115 1.00 44.33 H new ATOM 0 HG13 VAL A 32 3.189 -8.328 2.078 1.00 44.33 H new ATOM 0 HG21 VAL A 32 4.321 -6.285 -0.009 1.00 20.12 H new ATOM 0 HG22 VAL A 32 5.372 -7.520 0.725 1.00 20.12 H new ATOM 0 HG23 VAL A 32 5.226 -7.413 -1.046 1.00 20.12 H new ATOM 514 N LEU A 33 6.023 -9.632 -1.519 1.00 53.02 N ATOM 515 CA LEU A 33 6.914 -9.733 -2.697 1.00 22.34 C ATOM 516 C LEU A 33 8.373 -9.786 -2.214 1.00 12.04 C ATOM 517 O LEU A 33 9.099 -8.803 -2.322 1.00 62.41 O ATOM 518 CB LEU A 33 6.739 -8.527 -3.693 1.00 74.15 C ATOM 519 CG LEU A 33 5.488 -8.491 -4.624 1.00 13.24 C ATOM 520 CD1 LEU A 33 5.501 -7.220 -5.493 1.00 62.03 C ATOM 521 CD2 LEU A 33 5.391 -9.754 -5.503 1.00 51.32 C ATOM 0 H LEU A 33 6.472 -9.202 -0.711 1.00 53.02 H new ATOM 0 HA LEU A 33 6.647 -10.641 -3.238 1.00 22.34 H new ATOM 0 HB2 LEU A 33 6.737 -7.611 -3.103 1.00 74.15 H new ATOM 0 HB3 LEU A 33 7.624 -8.494 -4.329 1.00 74.15 H new ATOM 0 HG LEU A 33 4.603 -8.471 -3.988 1.00 13.24 H new ATOM 0 HD11 LEU A 33 4.621 -7.210 -6.137 1.00 62.03 H new ATOM 0 HD12 LEU A 33 5.490 -6.340 -4.850 1.00 62.03 H new ATOM 0 HD13 LEU A 33 6.401 -7.209 -6.108 1.00 62.03 H new ATOM 0 HD21 LEU A 33 4.506 -9.689 -6.136 1.00 51.32 H new ATOM 0 HD22 LEU A 33 6.280 -9.831 -6.129 1.00 51.32 H new ATOM 0 HD23 LEU A 33 5.318 -10.636 -4.866 1.00 51.32 H new ATOM 533 N GLU A 34 8.782 -10.920 -1.630 1.00 60.32 N ATOM 534 CA GLU A 34 10.200 -11.173 -1.291 1.00 51.55 C ATOM 535 C GLU A 34 11.021 -11.247 -2.586 1.00 13.32 C ATOM 536 O GLU A 34 12.103 -10.665 -2.686 1.00 74.54 O ATOM 537 CB GLU A 34 10.328 -12.494 -0.467 1.00 63.13 C ATOM 538 CG GLU A 34 11.733 -12.809 0.126 1.00 51.14 C ATOM 539 CD GLU A 34 12.752 -13.384 -0.884 1.00 11.14 C ATOM 540 OE1 GLU A 34 12.485 -14.461 -1.459 1.00 41.13 O ATOM 541 OE2 GLU A 34 13.824 -12.777 -1.101 1.00 41.42 O ATOM 0 H GLU A 34 8.153 -11.683 -1.379 1.00 60.32 H new ATOM 0 HA GLU A 34 10.585 -10.359 -0.677 1.00 51.55 H new ATOM 0 HB2 GLU A 34 9.612 -12.455 0.354 1.00 63.13 H new ATOM 0 HB3 GLU A 34 10.034 -13.326 -1.107 1.00 63.13 H new ATOM 0 HG2 GLU A 34 12.144 -11.895 0.554 1.00 51.14 H new ATOM 0 HG3 GLU A 34 11.615 -13.519 0.945 1.00 51.14 H new ATOM 548 N THR A 35 10.446 -11.947 -3.581 1.00 42.21 N ATOM 549 CA THR A 35 11.134 -12.312 -4.824 1.00 24.43 C ATOM 550 C THR A 35 11.480 -11.083 -5.709 1.00 54.32 C ATOM 551 O THR A 35 12.483 -11.113 -6.432 1.00 33.44 O ATOM 552 CB THR A 35 10.279 -13.357 -5.631 1.00 22.23 C ATOM 553 OG1 THR A 35 11.045 -13.893 -6.723 1.00 13.12 O ATOM 554 CG2 THR A 35 8.963 -12.761 -6.175 1.00 63.41 C ATOM 0 H THR A 35 9.481 -12.276 -3.540 1.00 42.21 H new ATOM 0 HA THR A 35 12.085 -12.764 -4.541 1.00 24.43 H new ATOM 0 HB THR A 35 10.017 -14.150 -4.930 1.00 22.23 H new ATOM 0 HG1 THR A 35 10.502 -14.543 -7.216 1.00 13.12 H new ATOM 0 HG21 THR A 35 8.415 -13.528 -6.723 1.00 63.41 H new ATOM 0 HG22 THR A 35 8.354 -12.404 -5.344 1.00 63.41 H new ATOM 0 HG23 THR A 35 9.189 -11.930 -6.843 1.00 63.41 H new ATOM 562 N ARG A 36 10.677 -10.000 -5.623 1.00 51.43 N ATOM 563 CA ARG A 36 10.827 -8.831 -6.514 1.00 33.44 C ATOM 564 C ARG A 36 10.211 -7.556 -5.902 1.00 31.51 C ATOM 565 O ARG A 36 9.727 -7.567 -4.773 1.00 2.42 O ATOM 566 CB ARG A 36 10.173 -9.129 -7.897 1.00 71.33 C ATOM 567 CG ARG A 36 8.626 -9.235 -7.895 1.00 3.00 C ATOM 568 CD ARG A 36 8.048 -9.421 -9.308 1.00 50.42 C ATOM 569 NE ARG A 36 8.440 -8.325 -10.218 1.00 11.44 N ATOM 570 CZ ARG A 36 8.473 -8.406 -11.563 1.00 61.35 C ATOM 571 NH1 ARG A 36 8.139 -9.528 -12.202 1.00 3.24 N ATOM 572 NH2 ARG A 36 8.852 -7.353 -12.273 1.00 24.22 N ATOM 0 H ARG A 36 9.919 -9.912 -4.946 1.00 51.43 H new ATOM 0 HA ARG A 36 11.894 -8.650 -6.644 1.00 33.44 H new ATOM 0 HB2 ARG A 36 10.465 -8.344 -8.594 1.00 71.33 H new ATOM 0 HB3 ARG A 36 10.583 -10.064 -8.280 1.00 71.33 H new ATOM 0 HG2 ARG A 36 8.323 -10.074 -7.268 1.00 3.00 H new ATOM 0 HG3 ARG A 36 8.204 -8.335 -7.448 1.00 3.00 H new ATOM 0 HD2 ARG A 36 8.391 -10.371 -9.717 1.00 50.42 H new ATOM 0 HD3 ARG A 36 6.961 -9.472 -9.251 1.00 50.42 H new ATOM 0 HE ARG A 36 8.707 -7.436 -9.795 1.00 11.44 H new ATOM 0 HH11 ARG A 36 7.850 -10.350 -11.672 1.00 3.24 H new ATOM 0 HH12 ARG A 36 8.172 -9.564 -13.221 1.00 3.24 H new ATOM 0 HH21 ARG A 36 9.116 -6.488 -11.801 1.00 24.22 H new ATOM 0 HH22 ARG A 36 8.879 -7.407 -13.291 1.00 24.22 H new ATOM 586 N THR A 37 10.261 -6.457 -6.674 1.00 3.54 N ATOM 587 CA THR A 37 9.569 -5.195 -6.362 1.00 2.01 C ATOM 588 C THR A 37 8.699 -4.783 -7.563 1.00 43.41 C ATOM 589 O THR A 37 9.047 -5.063 -8.719 1.00 24.14 O ATOM 590 CB THR A 37 10.591 -4.062 -6.021 1.00 4.33 C ATOM 591 OG1 THR A 37 11.614 -4.005 -7.031 1.00 61.33 O ATOM 592 CG2 THR A 37 11.246 -4.261 -4.644 1.00 32.54 C ATOM 0 H THR A 37 10.791 -6.420 -7.545 1.00 3.54 H new ATOM 0 HA THR A 37 8.938 -5.348 -5.487 1.00 2.01 H new ATOM 0 HB THR A 37 10.035 -3.125 -5.993 1.00 4.33 H new ATOM 0 HG1 THR A 37 12.250 -3.292 -6.813 1.00 61.33 H new ATOM 0 HG21 THR A 37 11.947 -3.449 -4.454 1.00 32.54 H new ATOM 0 HG22 THR A 37 10.476 -4.264 -3.872 1.00 32.54 H new ATOM 0 HG23 THR A 37 11.779 -5.212 -4.629 1.00 32.54 H new ATOM 600 N MET A 38 7.551 -4.134 -7.283 1.00 51.32 N ATOM 601 CA MET A 38 6.591 -3.683 -8.315 1.00 55.52 C ATOM 602 C MET A 38 6.032 -2.306 -7.926 1.00 72.13 C ATOM 603 O MET A 38 5.423 -2.166 -6.858 1.00 55.42 O ATOM 604 CB MET A 38 5.427 -4.711 -8.498 1.00 11.13 C ATOM 605 CG MET A 38 5.849 -6.077 -9.069 1.00 61.04 C ATOM 606 SD MET A 38 4.463 -7.178 -9.406 1.00 12.22 S ATOM 607 CE MET A 38 3.562 -6.263 -10.661 1.00 71.11 C ATOM 0 H MET A 38 7.261 -3.906 -6.332 1.00 51.32 H new ATOM 0 HA MET A 38 7.116 -3.608 -9.267 1.00 55.52 H new ATOM 0 HB2 MET A 38 4.948 -4.870 -7.532 1.00 11.13 H new ATOM 0 HB3 MET A 38 4.677 -4.274 -9.158 1.00 11.13 H new ATOM 0 HG2 MET A 38 6.409 -5.919 -9.991 1.00 61.04 H new ATOM 0 HG3 MET A 38 6.525 -6.562 -8.365 1.00 61.04 H new ATOM 0 HE1 MET A 38 3.062 -6.962 -11.332 1.00 71.11 H new ATOM 0 HE2 MET A 38 2.819 -5.625 -10.183 1.00 71.11 H new ATOM 0 HE3 MET A 38 4.257 -5.646 -11.231 1.00 71.11 H new ATOM 617 N ASP A 39 6.258 -1.288 -8.779 1.00 31.34 N ATOM 618 CA ASP A 39 5.790 0.092 -8.528 1.00 0.11 C ATOM 619 C ASP A 39 4.594 0.425 -9.431 1.00 63.34 C ATOM 620 O ASP A 39 4.534 0.012 -10.596 1.00 61.31 O ATOM 621 CB ASP A 39 6.935 1.128 -8.712 1.00 34.42 C ATOM 622 CG ASP A 39 7.486 1.224 -10.143 1.00 14.13 C ATOM 623 OD1 ASP A 39 8.390 0.434 -10.501 1.00 74.40 O ATOM 624 OD2 ASP A 39 7.025 2.096 -10.923 1.00 24.13 O ATOM 0 H ASP A 39 6.767 -1.396 -9.656 1.00 31.34 H new ATOM 0 HA ASP A 39 5.465 0.151 -7.489 1.00 0.11 H new ATOM 0 HB2 ASP A 39 6.571 2.110 -8.410 1.00 34.42 H new ATOM 0 HB3 ASP A 39 7.752 0.870 -8.038 1.00 34.42 H new ATOM 629 N PHE A 40 3.634 1.157 -8.848 1.00 4.44 N ATOM 630 CA PHE A 40 2.379 1.575 -9.499 1.00 41.31 C ATOM 631 C PHE A 40 2.228 3.101 -9.333 1.00 54.33 C ATOM 632 O PHE A 40 1.675 3.565 -8.321 1.00 43.33 O ATOM 633 CB PHE A 40 1.169 0.809 -8.874 1.00 31.24 C ATOM 634 CG PHE A 40 1.424 -0.689 -8.732 1.00 14.12 C ATOM 635 CD1 PHE A 40 1.341 -1.536 -9.840 1.00 2.01 C ATOM 636 CD2 PHE A 40 1.799 -1.242 -7.507 1.00 54.31 C ATOM 637 CE1 PHE A 40 1.616 -2.881 -9.723 1.00 65.40 C ATOM 638 CE2 PHE A 40 2.082 -2.584 -7.396 1.00 34.23 C ATOM 639 CZ PHE A 40 1.987 -3.405 -8.500 1.00 50.11 C ATOM 0 H PHE A 40 3.709 1.485 -7.885 1.00 4.44 H new ATOM 0 HA PHE A 40 2.403 1.334 -10.562 1.00 41.31 H new ATOM 0 HB2 PHE A 40 0.947 1.229 -7.893 1.00 31.24 H new ATOM 0 HB3 PHE A 40 0.287 0.965 -9.495 1.00 31.24 H new ATOM 0 HD1 PHE A 40 1.058 -1.131 -10.800 1.00 2.01 H new ATOM 0 HD2 PHE A 40 1.868 -0.609 -6.635 1.00 54.31 H new ATOM 0 HE1 PHE A 40 1.542 -3.525 -10.587 1.00 65.40 H new ATOM 0 HE2 PHE A 40 2.379 -2.995 -6.443 1.00 34.23 H new ATOM 0 HZ PHE A 40 2.203 -4.459 -8.408 1.00 50.11 H new ATOM 649 N PRO A 41 2.786 3.912 -10.296 1.00 34.13 N ATOM 650 CA PRO A 41 2.698 5.395 -10.236 1.00 32.24 C ATOM 651 C PRO A 41 1.248 5.897 -10.402 1.00 43.50 C ATOM 652 O PRO A 41 0.868 6.930 -9.844 1.00 42.21 O ATOM 653 CB PRO A 41 3.601 5.848 -11.416 1.00 1.04 C ATOM 654 CG PRO A 41 3.605 4.688 -12.373 1.00 32.10 C ATOM 655 CD PRO A 41 3.546 3.451 -11.503 1.00 33.33 C ATOM 0 HA PRO A 41 3.015 5.798 -9.274 1.00 32.24 H new ATOM 0 HB2 PRO A 41 3.209 6.748 -11.889 1.00 1.04 H new ATOM 0 HB3 PRO A 41 4.609 6.081 -11.074 1.00 1.04 H new ATOM 0 HG2 PRO A 41 2.752 4.734 -13.050 1.00 32.10 H new ATOM 0 HG3 PRO A 41 4.503 4.691 -12.991 1.00 32.10 H new ATOM 0 HD2 PRO A 41 3.039 2.629 -12.007 1.00 33.33 H new ATOM 0 HD3 PRO A 41 4.543 3.097 -11.239 1.00 33.33 H new ATOM 663 N THR A 42 0.456 5.131 -11.170 1.00 73.21 N ATOM 664 CA THR A 42 -0.943 5.437 -11.482 1.00 73.45 C ATOM 665 C THR A 42 -1.851 4.278 -11.009 1.00 55.34 C ATOM 666 O THR A 42 -1.376 3.138 -10.865 1.00 63.40 O ATOM 667 CB THR A 42 -1.129 5.633 -13.032 1.00 1.14 C ATOM 668 OG1 THR A 42 -0.711 4.436 -13.727 1.00 4.13 O ATOM 669 CG2 THR A 42 -0.345 6.847 -13.569 1.00 0.43 C ATOM 0 H THR A 42 0.781 4.264 -11.599 1.00 73.21 H new ATOM 0 HA THR A 42 -1.218 6.357 -10.967 1.00 73.45 H new ATOM 0 HB THR A 42 -2.187 5.824 -13.212 1.00 1.14 H new ATOM 0 HG1 THR A 42 -0.677 4.612 -14.690 1.00 4.13 H new ATOM 0 HG21 THR A 42 -0.507 6.938 -14.643 1.00 0.43 H new ATOM 0 HG22 THR A 42 -0.691 7.753 -13.071 1.00 0.43 H new ATOM 0 HG23 THR A 42 0.718 6.709 -13.373 1.00 0.43 H new ATOM 677 N PRO A 43 -3.176 4.541 -10.756 1.00 15.21 N ATOM 678 CA PRO A 43 -4.178 3.462 -10.548 1.00 1.24 C ATOM 679 C PRO A 43 -4.330 2.552 -11.792 1.00 12.41 C ATOM 680 O PRO A 43 -4.745 1.398 -11.680 1.00 74.50 O ATOM 681 CB PRO A 43 -5.492 4.235 -10.248 1.00 35.43 C ATOM 682 CG PRO A 43 -5.051 5.606 -9.823 1.00 23.32 C ATOM 683 CD PRO A 43 -3.792 5.889 -10.607 1.00 21.32 C ATOM 0 HA PRO A 43 -3.889 2.783 -9.746 1.00 1.24 H new ATOM 0 HB2 PRO A 43 -6.132 4.282 -11.129 1.00 35.43 H new ATOM 0 HB3 PRO A 43 -6.067 3.745 -9.463 1.00 35.43 H new ATOM 0 HG2 PRO A 43 -5.820 6.349 -10.035 1.00 23.32 H new ATOM 0 HG3 PRO A 43 -4.861 5.642 -8.750 1.00 23.32 H new ATOM 0 HD2 PRO A 43 -4.013 6.340 -11.574 1.00 21.32 H new ATOM 0 HD3 PRO A 43 -3.133 6.577 -10.077 1.00 21.32 H new ATOM 691 N ALA A 44 -3.973 3.108 -12.970 1.00 43.32 N ATOM 692 CA ALA A 44 -4.058 2.413 -14.266 1.00 72.20 C ATOM 693 C ALA A 44 -3.113 1.190 -14.320 1.00 10.03 C ATOM 694 O ALA A 44 -3.507 0.114 -14.780 1.00 42.55 O ATOM 695 CB ALA A 44 -3.750 3.399 -15.406 1.00 72.41 C ATOM 0 H ALA A 44 -3.615 4.060 -13.045 1.00 43.32 H new ATOM 0 HA ALA A 44 -5.074 2.037 -14.387 1.00 72.20 H new ATOM 0 HB1 ALA A 44 -3.814 2.881 -16.363 1.00 72.41 H new ATOM 0 HB2 ALA A 44 -4.472 4.215 -15.386 1.00 72.41 H new ATOM 0 HB3 ALA A 44 -2.745 3.801 -15.278 1.00 72.41 H new ATOM 701 N ALA A 45 -1.871 1.371 -13.824 1.00 61.21 N ATOM 702 CA ALA A 45 -0.842 0.306 -13.795 1.00 20.22 C ATOM 703 C ALA A 45 -1.091 -0.722 -12.666 1.00 23.00 C ATOM 704 O ALA A 45 -0.540 -1.832 -12.693 1.00 21.12 O ATOM 705 CB ALA A 45 0.554 0.943 -13.656 1.00 53.33 C ATOM 0 H ALA A 45 -1.552 2.257 -13.433 1.00 61.21 H new ATOM 0 HA ALA A 45 -0.901 -0.243 -14.735 1.00 20.22 H new ATOM 0 HB1 ALA A 45 1.311 0.159 -13.635 1.00 53.33 H new ATOM 0 HB2 ALA A 45 0.739 1.603 -14.504 1.00 53.33 H new ATOM 0 HB3 ALA A 45 0.601 1.518 -12.731 1.00 53.33 H new ATOM 711 N ALA A 46 -1.937 -0.344 -11.686 1.00 1.12 N ATOM 712 CA ALA A 46 -2.208 -1.147 -10.474 1.00 51.24 C ATOM 713 C ALA A 46 -2.983 -2.454 -10.742 1.00 43.15 C ATOM 714 O ALA A 46 -3.073 -3.296 -9.842 1.00 40.41 O ATOM 715 CB ALA A 46 -2.961 -0.297 -9.442 1.00 51.04 C ATOM 0 H ALA A 46 -2.456 0.534 -11.713 1.00 1.12 H new ATOM 0 HA ALA A 46 -1.234 -1.448 -10.088 1.00 51.24 H new ATOM 0 HB1 ALA A 46 -3.157 -0.895 -8.552 1.00 51.04 H new ATOM 0 HB2 ALA A 46 -2.356 0.568 -9.172 1.00 51.04 H new ATOM 0 HB3 ALA A 46 -3.906 0.040 -9.868 1.00 51.04 H new ATOM 721 N PHE A 47 -3.537 -2.615 -11.971 1.00 71.14 N ATOM 722 CA PHE A 47 -4.369 -3.795 -12.359 1.00 4.42 C ATOM 723 C PHE A 47 -3.652 -5.150 -12.118 1.00 54.04 C ATOM 724 O PHE A 47 -4.304 -6.183 -11.924 1.00 3.54 O ATOM 725 CB PHE A 47 -4.808 -3.692 -13.850 1.00 72.33 C ATOM 726 CG PHE A 47 -3.676 -3.909 -14.868 1.00 12.50 C ATOM 727 CD1 PHE A 47 -2.753 -2.902 -15.137 1.00 40.42 C ATOM 728 CD2 PHE A 47 -3.532 -5.125 -15.545 1.00 24.10 C ATOM 729 CE1 PHE A 47 -1.729 -3.098 -16.041 1.00 43.43 C ATOM 730 CE2 PHE A 47 -2.509 -5.318 -16.448 1.00 33.22 C ATOM 731 CZ PHE A 47 -1.607 -4.306 -16.696 1.00 61.21 C ATOM 0 H PHE A 47 -3.423 -1.935 -12.723 1.00 71.14 H new ATOM 0 HA PHE A 47 -5.247 -3.774 -11.713 1.00 4.42 H new ATOM 0 HB2 PHE A 47 -5.591 -4.427 -14.036 1.00 72.33 H new ATOM 0 HB3 PHE A 47 -5.247 -2.709 -14.019 1.00 72.33 H new ATOM 0 HD1 PHE A 47 -2.840 -1.952 -14.630 1.00 40.42 H new ATOM 0 HD2 PHE A 47 -4.233 -5.925 -15.357 1.00 24.10 H new ATOM 0 HE1 PHE A 47 -1.022 -2.305 -16.236 1.00 43.43 H new ATOM 0 HE2 PHE A 47 -2.414 -6.263 -16.962 1.00 33.22 H new ATOM 0 HZ PHE A 47 -0.805 -4.459 -17.403 1.00 61.21 H new ATOM 741 N ARG A 48 -2.304 -5.115 -12.139 1.00 43.23 N ATOM 742 CA ARG A 48 -1.442 -6.307 -11.985 1.00 32.11 C ATOM 743 C ARG A 48 -1.565 -6.939 -10.582 1.00 51.35 C ATOM 744 O ARG A 48 -1.249 -8.120 -10.395 1.00 64.03 O ATOM 745 CB ARG A 48 0.038 -5.937 -12.247 1.00 4.52 C ATOM 746 CG ARG A 48 0.293 -5.161 -13.554 1.00 62.34 C ATOM 747 CD ARG A 48 1.759 -5.228 -14.004 1.00 44.42 C ATOM 748 NE ARG A 48 2.117 -6.599 -14.417 1.00 10.25 N ATOM 749 CZ ARG A 48 2.394 -6.978 -15.680 1.00 62.45 C ATOM 750 NH1 ARG A 48 2.390 -6.092 -16.685 1.00 62.02 N ATOM 751 NH2 ARG A 48 2.632 -8.252 -15.943 1.00 22.22 N ATOM 0 H ARG A 48 -1.777 -4.251 -12.264 1.00 43.23 H new ATOM 0 HA ARG A 48 -1.781 -7.040 -12.718 1.00 32.11 H new ATOM 0 HB2 ARG A 48 0.401 -5.340 -11.411 1.00 4.52 H new ATOM 0 HB3 ARG A 48 0.628 -6.853 -12.265 1.00 4.52 H new ATOM 0 HG2 ARG A 48 -0.344 -5.564 -14.342 1.00 62.34 H new ATOM 0 HG3 ARG A 48 0.007 -4.118 -13.415 1.00 62.34 H new ATOM 0 HD2 ARG A 48 1.922 -4.539 -14.833 1.00 44.42 H new ATOM 0 HD3 ARG A 48 2.409 -4.907 -13.190 1.00 44.42 H new ATOM 0 HE ARG A 48 2.158 -7.314 -13.691 1.00 10.25 H new ATOM 0 HH11 ARG A 48 2.175 -5.112 -16.500 1.00 62.02 H new ATOM 0 HH12 ARG A 48 2.602 -6.397 -17.635 1.00 62.02 H new ATOM 0 HH21 ARG A 48 2.605 -8.941 -15.192 1.00 22.22 H new ATOM 0 HH22 ARG A 48 2.842 -8.545 -16.897 1.00 22.22 H new ATOM 765 N SER A 49 -2.024 -6.134 -9.611 1.00 74.31 N ATOM 766 CA SER A 49 -2.074 -6.506 -8.197 1.00 14.41 C ATOM 767 C SER A 49 -3.369 -5.950 -7.562 1.00 4.44 C ATOM 768 O SER A 49 -3.504 -4.723 -7.431 1.00 71.45 O ATOM 769 CB SER A 49 -0.821 -5.939 -7.494 1.00 12.04 C ATOM 770 OG SER A 49 -0.701 -4.545 -7.710 1.00 1.10 O ATOM 0 H SER A 49 -2.375 -5.194 -9.794 1.00 74.31 H new ATOM 0 HA SER A 49 -2.082 -7.590 -8.086 1.00 14.41 H new ATOM 0 HB2 SER A 49 -0.878 -6.141 -6.424 1.00 12.04 H new ATOM 0 HB3 SER A 49 0.069 -6.446 -7.867 1.00 12.04 H new ATOM 0 HG SER A 49 0.196 -4.342 -8.049 1.00 1.10 H new ATOM 776 N PRO A 50 -4.359 -6.828 -7.197 1.00 61.32 N ATOM 777 CA PRO A 50 -5.663 -6.379 -6.654 1.00 31.24 C ATOM 778 C PRO A 50 -5.546 -5.513 -5.375 1.00 54.23 C ATOM 779 O PRO A 50 -6.359 -4.607 -5.182 1.00 43.12 O ATOM 780 CB PRO A 50 -6.454 -7.694 -6.410 1.00 63.53 C ATOM 781 CG PRO A 50 -5.445 -8.803 -6.473 1.00 22.24 C ATOM 782 CD PRO A 50 -4.306 -8.308 -7.342 1.00 53.35 C ATOM 0 HA PRO A 50 -6.168 -5.711 -7.352 1.00 31.24 H new ATOM 0 HB2 PRO A 50 -6.953 -7.675 -5.441 1.00 63.53 H new ATOM 0 HB3 PRO A 50 -7.229 -7.829 -7.165 1.00 63.53 H new ATOM 0 HG2 PRO A 50 -5.088 -9.058 -5.475 1.00 22.24 H new ATOM 0 HG3 PRO A 50 -5.888 -9.706 -6.893 1.00 22.24 H new ATOM 0 HD2 PRO A 50 -3.348 -8.707 -7.010 1.00 53.35 H new ATOM 0 HD3 PRO A 50 -4.435 -8.612 -8.381 1.00 53.35 H new ATOM 790 N LEU A 51 -4.508 -5.761 -4.538 1.00 21.42 N ATOM 791 CA LEU A 51 -4.300 -4.986 -3.292 1.00 10.42 C ATOM 792 C LEU A 51 -3.971 -3.515 -3.603 1.00 53.15 C ATOM 793 O LEU A 51 -4.502 -2.619 -2.953 1.00 60.54 O ATOM 794 CB LEU A 51 -3.188 -5.598 -2.396 1.00 72.32 C ATOM 795 CG LEU A 51 -2.921 -4.852 -1.036 1.00 22.15 C ATOM 796 CD1 LEU A 51 -4.205 -4.711 -0.187 1.00 64.23 C ATOM 797 CD2 LEU A 51 -1.800 -5.540 -0.239 1.00 64.21 C ATOM 0 H LEU A 51 -3.808 -6.485 -4.702 1.00 21.42 H new ATOM 0 HA LEU A 51 -5.238 -5.032 -2.738 1.00 10.42 H new ATOM 0 HB2 LEU A 51 -3.452 -6.632 -2.176 1.00 72.32 H new ATOM 0 HB3 LEU A 51 -2.259 -5.620 -2.966 1.00 72.32 H new ATOM 0 HG LEU A 51 -2.591 -3.843 -1.283 1.00 22.15 H new ATOM 0 HD11 LEU A 51 -3.972 -4.190 0.742 1.00 64.23 H new ATOM 0 HD12 LEU A 51 -4.949 -4.143 -0.745 1.00 64.23 H new ATOM 0 HD13 LEU A 51 -4.601 -5.701 0.042 1.00 64.23 H new ATOM 0 HD21 LEU A 51 -1.636 -5.004 0.696 1.00 64.21 H new ATOM 0 HD22 LEU A 51 -2.087 -6.569 -0.022 1.00 64.21 H new ATOM 0 HD23 LEU A 51 -0.881 -5.535 -0.825 1.00 64.21 H new ATOM 809 N ALA A 52 -3.108 -3.288 -4.621 1.00 21.43 N ATOM 810 CA ALA A 52 -2.706 -1.929 -5.040 1.00 1.14 C ATOM 811 C ALA A 52 -3.934 -1.119 -5.488 1.00 61.30 C ATOM 812 O ALA A 52 -4.074 0.051 -5.131 1.00 4.44 O ATOM 813 CB ALA A 52 -1.666 -1.991 -6.161 1.00 42.41 C ATOM 0 H ALA A 52 -2.677 -4.033 -5.168 1.00 21.43 H new ATOM 0 HA ALA A 52 -2.254 -1.428 -4.184 1.00 1.14 H new ATOM 0 HB1 ALA A 52 -1.385 -0.979 -6.453 1.00 42.41 H new ATOM 0 HB2 ALA A 52 -0.783 -2.525 -5.809 1.00 42.41 H new ATOM 0 HB3 ALA A 52 -2.088 -2.513 -7.020 1.00 42.41 H new ATOM 819 N ARG A 53 -4.829 -1.790 -6.243 1.00 53.43 N ATOM 820 CA ARG A 53 -6.110 -1.217 -6.709 1.00 70.12 C ATOM 821 C ARG A 53 -6.973 -0.776 -5.510 1.00 21.24 C ATOM 822 O ARG A 53 -7.539 0.328 -5.499 1.00 64.43 O ATOM 823 CB ARG A 53 -6.891 -2.265 -7.559 1.00 43.31 C ATOM 824 CG ARG A 53 -6.071 -2.893 -8.701 1.00 11.20 C ATOM 825 CD ARG A 53 -6.811 -4.020 -9.441 1.00 72.35 C ATOM 826 NE ARG A 53 -7.984 -3.547 -10.193 1.00 14.41 N ATOM 827 CZ ARG A 53 -8.884 -4.343 -10.793 1.00 44.13 C ATOM 828 NH1 ARG A 53 -8.770 -5.670 -10.755 1.00 72.55 N ATOM 829 NH2 ARG A 53 -9.911 -3.804 -11.425 1.00 73.31 N ATOM 0 H ARG A 53 -4.682 -2.752 -6.549 1.00 53.43 H new ATOM 0 HA ARG A 53 -5.891 -0.345 -7.326 1.00 70.12 H new ATOM 0 HB2 ARG A 53 -7.243 -3.059 -6.901 1.00 43.31 H new ATOM 0 HB3 ARG A 53 -7.774 -1.787 -7.982 1.00 43.31 H new ATOM 0 HG2 ARG A 53 -5.803 -2.115 -9.416 1.00 11.20 H new ATOM 0 HG3 ARG A 53 -5.139 -3.287 -8.295 1.00 11.20 H new ATOM 0 HD2 ARG A 53 -6.120 -4.510 -10.128 1.00 72.35 H new ATOM 0 HD3 ARG A 53 -7.129 -4.772 -8.719 1.00 72.35 H new ATOM 0 HE ARG A 53 -8.124 -2.539 -10.264 1.00 14.41 H new ATOM 0 HH11 ARG A 53 -7.987 -6.101 -10.263 1.00 72.55 H new ATOM 0 HH12 ARG A 53 -9.466 -6.255 -11.218 1.00 72.55 H new ATOM 0 HH21 ARG A 53 -10.016 -2.790 -11.455 1.00 73.31 H new ATOM 0 HH22 ARG A 53 -10.599 -4.402 -11.883 1.00 73.31 H new ATOM 843 N GLN A 54 -7.035 -1.660 -4.495 1.00 70.54 N ATOM 844 CA GLN A 54 -7.851 -1.452 -3.287 1.00 50.10 C ATOM 845 C GLN A 54 -7.248 -0.373 -2.354 1.00 4.34 C ATOM 846 O GLN A 54 -7.973 0.240 -1.565 1.00 64.11 O ATOM 847 CB GLN A 54 -8.056 -2.800 -2.537 1.00 62.53 C ATOM 848 CG GLN A 54 -8.836 -3.857 -3.346 1.00 61.22 C ATOM 849 CD GLN A 54 -9.024 -5.196 -2.623 1.00 24.02 C ATOM 850 OE1 GLN A 54 -8.212 -5.587 -1.786 1.00 41.34 O ATOM 851 NE2 GLN A 54 -10.095 -5.908 -2.950 1.00 53.15 N ATOM 0 H GLN A 54 -6.519 -2.540 -4.492 1.00 70.54 H new ATOM 0 HA GLN A 54 -8.825 -1.079 -3.604 1.00 50.10 H new ATOM 0 HB2 GLN A 54 -7.081 -3.208 -2.271 1.00 62.53 H new ATOM 0 HB3 GLN A 54 -8.586 -2.608 -1.604 1.00 62.53 H new ATOM 0 HG2 GLN A 54 -9.817 -3.453 -3.598 1.00 61.22 H new ATOM 0 HG3 GLN A 54 -8.314 -4.036 -4.286 1.00 61.22 H new ATOM 0 HE21 GLN A 54 -10.749 -5.554 -3.648 1.00 53.15 H new ATOM 0 HE22 GLN A 54 -10.264 -6.809 -2.503 1.00 53.15 H new ATOM 860 N LEU A 55 -5.918 -0.178 -2.430 1.00 3.43 N ATOM 861 CA LEU A 55 -5.226 0.918 -1.717 1.00 30.40 C ATOM 862 C LEU A 55 -5.552 2.277 -2.375 1.00 14.04 C ATOM 863 O LEU A 55 -5.794 3.262 -1.680 1.00 4.44 O ATOM 864 CB LEU A 55 -3.689 0.666 -1.662 1.00 42.34 C ATOM 865 CG LEU A 55 -3.229 -0.569 -0.819 1.00 22.12 C ATOM 866 CD1 LEU A 55 -1.707 -0.802 -0.935 1.00 42.12 C ATOM 867 CD2 LEU A 55 -3.666 -0.439 0.658 1.00 21.24 C ATOM 0 H LEU A 55 -5.296 -0.769 -2.982 1.00 3.43 H new ATOM 0 HA LEU A 55 -5.588 0.945 -0.689 1.00 30.40 H new ATOM 0 HB2 LEU A 55 -3.324 0.542 -2.682 1.00 42.34 H new ATOM 0 HB3 LEU A 55 -3.208 1.557 -1.258 1.00 42.34 H new ATOM 0 HG LEU A 55 -3.725 -1.446 -1.234 1.00 22.12 H new ATOM 0 HD11 LEU A 55 -1.425 -1.668 -0.336 1.00 42.12 H new ATOM 0 HD12 LEU A 55 -1.445 -0.981 -1.978 1.00 42.12 H new ATOM 0 HD13 LEU A 55 -1.176 0.078 -0.573 1.00 42.12 H new ATOM 0 HD21 LEU A 55 -3.330 -1.314 1.215 1.00 21.24 H new ATOM 0 HD22 LEU A 55 -3.224 0.458 1.091 1.00 21.24 H new ATOM 0 HD23 LEU A 55 -4.753 -0.370 0.711 1.00 21.24 H new ATOM 879 N PHE A 56 -5.592 2.302 -3.728 1.00 32.45 N ATOM 880 CA PHE A 56 -5.946 3.517 -4.509 1.00 21.24 C ATOM 881 C PHE A 56 -7.430 3.948 -4.302 1.00 21.41 C ATOM 882 O PHE A 56 -7.805 5.071 -4.670 1.00 43.31 O ATOM 883 CB PHE A 56 -5.649 3.316 -6.027 1.00 3.41 C ATOM 884 CG PHE A 56 -4.181 3.458 -6.446 1.00 62.50 C ATOM 885 CD1 PHE A 56 -3.538 4.690 -6.365 1.00 2.12 C ATOM 886 CD2 PHE A 56 -3.458 2.380 -6.957 1.00 13.04 C ATOM 887 CE1 PHE A 56 -2.229 4.833 -6.776 1.00 33.30 C ATOM 888 CE2 PHE A 56 -2.145 2.527 -7.362 1.00 61.14 C ATOM 889 CZ PHE A 56 -1.532 3.754 -7.272 1.00 73.22 C ATOM 0 H PHE A 56 -5.382 1.489 -4.307 1.00 32.45 H new ATOM 0 HA PHE A 56 -5.317 4.322 -4.130 1.00 21.24 H new ATOM 0 HB2 PHE A 56 -5.995 2.324 -6.317 1.00 3.41 H new ATOM 0 HB3 PHE A 56 -6.239 4.037 -6.592 1.00 3.41 H new ATOM 0 HD1 PHE A 56 -4.071 5.545 -5.975 1.00 2.12 H new ATOM 0 HD2 PHE A 56 -3.933 1.413 -7.038 1.00 13.04 H new ATOM 0 HE1 PHE A 56 -1.748 5.797 -6.708 1.00 33.30 H new ATOM 0 HE2 PHE A 56 -1.601 1.678 -7.749 1.00 61.14 H new ATOM 0 HZ PHE A 56 -0.506 3.871 -7.589 1.00 73.22 H new ATOM 899 N ARG A 57 -8.263 3.054 -3.718 1.00 55.24 N ATOM 900 CA ARG A 57 -9.666 3.375 -3.319 1.00 43.12 C ATOM 901 C ARG A 57 -9.731 4.572 -2.338 1.00 61.13 C ATOM 902 O ARG A 57 -10.718 5.313 -2.314 1.00 31.45 O ATOM 903 CB ARG A 57 -10.328 2.145 -2.633 1.00 50.11 C ATOM 904 CG ARG A 57 -10.902 1.065 -3.571 1.00 55.21 C ATOM 905 CD ARG A 57 -11.267 -0.237 -2.817 1.00 35.23 C ATOM 906 NE ARG A 57 -12.044 -0.015 -1.577 1.00 64.13 N ATOM 907 CZ ARG A 57 -11.586 -0.223 -0.317 1.00 51.33 C ATOM 908 NH1 ARG A 57 -10.348 -0.676 -0.095 1.00 5.53 N ATOM 909 NH2 ARG A 57 -12.382 0.000 0.711 1.00 65.13 N ATOM 0 H ARG A 57 -7.989 2.094 -3.509 1.00 55.24 H new ATOM 0 HA ARG A 57 -10.200 3.638 -4.232 1.00 43.12 H new ATOM 0 HB2 ARG A 57 -9.588 1.676 -1.984 1.00 50.11 H new ATOM 0 HB3 ARG A 57 -11.133 2.504 -1.991 1.00 50.11 H new ATOM 0 HG2 ARG A 57 -11.790 1.455 -4.069 1.00 55.21 H new ATOM 0 HG3 ARG A 57 -10.173 0.839 -4.349 1.00 55.21 H new ATOM 0 HD2 ARG A 57 -11.840 -0.882 -3.483 1.00 35.23 H new ATOM 0 HD3 ARG A 57 -10.350 -0.771 -2.568 1.00 35.23 H new ATOM 0 HE ARG A 57 -13.002 0.322 -1.678 1.00 64.13 H new ATOM 0 HH11 ARG A 57 -9.728 -0.872 -0.881 1.00 5.53 H new ATOM 0 HH12 ARG A 57 -10.023 -0.826 0.860 1.00 5.53 H new ATOM 0 HH21 ARG A 57 -13.336 0.327 0.556 1.00 65.13 H new ATOM 0 HH22 ARG A 57 -12.044 -0.154 1.661 1.00 65.13 H new ATOM 923 N ILE A 58 -8.669 4.729 -1.539 1.00 42.32 N ATOM 924 CA ILE A 58 -8.610 5.670 -0.410 1.00 35.32 C ATOM 925 C ILE A 58 -8.213 7.069 -0.913 1.00 51.45 C ATOM 926 O ILE A 58 -7.219 7.202 -1.651 1.00 72.31 O ATOM 927 CB ILE A 58 -7.557 5.145 0.633 1.00 4.53 C ATOM 928 CG1 ILE A 58 -7.901 3.673 1.041 1.00 31.02 C ATOM 929 CG2 ILE A 58 -7.442 6.074 1.869 1.00 71.34 C ATOM 930 CD1 ILE A 58 -6.798 2.944 1.779 1.00 73.55 C ATOM 0 H ILE A 58 -7.808 4.195 -1.660 1.00 42.32 H new ATOM 0 HA ILE A 58 -9.588 5.741 0.065 1.00 35.32 H new ATOM 0 HB ILE A 58 -6.576 5.153 0.158 1.00 4.53 H new ATOM 0 HG12 ILE A 58 -8.793 3.684 1.668 1.00 31.02 H new ATOM 0 HG13 ILE A 58 -8.150 3.110 0.141 1.00 31.02 H new ATOM 0 HG21 ILE A 58 -6.703 5.670 2.561 1.00 71.34 H new ATOM 0 HG22 ILE A 58 -7.133 7.069 1.549 1.00 71.34 H new ATOM 0 HG23 ILE A 58 -8.409 6.137 2.368 1.00 71.34 H new ATOM 0 HD11 ILE A 58 -7.128 1.933 2.020 1.00 73.55 H new ATOM 0 HD12 ILE A 58 -5.909 2.896 1.150 1.00 73.55 H new ATOM 0 HD13 ILE A 58 -6.562 3.478 2.700 1.00 73.55 H new ATOM 942 N GLU A 59 -9.005 8.098 -0.543 1.00 41.03 N ATOM 943 CA GLU A 59 -8.695 9.500 -0.875 1.00 40.14 C ATOM 944 C GLU A 59 -7.440 9.933 -0.094 1.00 12.41 C ATOM 945 O GLU A 59 -7.462 10.061 1.138 1.00 51.23 O ATOM 946 CB GLU A 59 -9.920 10.436 -0.617 1.00 32.33 C ATOM 947 CG GLU A 59 -10.567 10.332 0.777 1.00 63.24 C ATOM 948 CD GLU A 59 -11.847 11.176 0.915 1.00 15.43 C ATOM 949 OE1 GLU A 59 -12.864 10.835 0.279 1.00 24.13 O ATOM 950 OE2 GLU A 59 -11.854 12.173 1.660 1.00 12.24 O ATOM 0 H GLU A 59 -9.868 7.980 -0.012 1.00 41.03 H new ATOM 0 HA GLU A 59 -8.482 9.585 -1.941 1.00 40.14 H new ATOM 0 HB2 GLU A 59 -9.603 11.467 -0.773 1.00 32.33 H new ATOM 0 HB3 GLU A 59 -10.682 10.220 -1.366 1.00 32.33 H new ATOM 0 HG2 GLU A 59 -10.803 9.288 0.984 1.00 63.24 H new ATOM 0 HG3 GLU A 59 -9.846 10.651 1.530 1.00 63.24 H new ATOM 957 N GLY A 60 -6.329 10.075 -0.827 1.00 3.25 N ATOM 958 CA GLY A 60 -5.029 10.362 -0.234 1.00 14.54 C ATOM 959 C GLY A 60 -3.910 9.588 -0.909 1.00 34.11 C ATOM 960 O GLY A 60 -2.780 10.068 -0.969 1.00 23.05 O ATOM 0 H GLY A 60 -6.312 9.993 -1.844 1.00 3.25 H new ATOM 0 HA2 GLY A 60 -4.826 11.430 -0.307 1.00 14.54 H new ATOM 0 HA3 GLY A 60 -5.052 10.114 0.827 1.00 14.54 H new ATOM 964 N VAL A 61 -4.222 8.379 -1.414 1.00 4.43 N ATOM 965 CA VAL A 61 -3.229 7.486 -2.034 1.00 1.21 C ATOM 966 C VAL A 61 -2.943 7.926 -3.491 1.00 44.45 C ATOM 967 O VAL A 61 -3.781 7.769 -4.385 1.00 51.53 O ATOM 968 CB VAL A 61 -3.704 5.986 -1.962 1.00 52.52 C ATOM 969 CG1 VAL A 61 -2.741 5.030 -2.710 1.00 54.33 C ATOM 970 CG2 VAL A 61 -3.887 5.548 -0.484 1.00 21.21 C ATOM 0 H VAL A 61 -5.167 7.996 -1.403 1.00 4.43 H new ATOM 0 HA VAL A 61 -2.296 7.559 -1.475 1.00 1.21 H new ATOM 0 HB VAL A 61 -4.667 5.922 -2.469 1.00 52.52 H new ATOM 0 HG11 VAL A 61 -3.110 4.007 -2.632 1.00 54.33 H new ATOM 0 HG12 VAL A 61 -2.686 5.317 -3.760 1.00 54.33 H new ATOM 0 HG13 VAL A 61 -1.748 5.092 -2.265 1.00 54.33 H new ATOM 0 HG21 VAL A 61 -4.215 4.509 -0.450 1.00 21.21 H new ATOM 0 HG22 VAL A 61 -2.939 5.646 0.045 1.00 21.21 H new ATOM 0 HG23 VAL A 61 -4.635 6.181 -0.007 1.00 21.21 H new ATOM 980 N LYS A 62 -1.746 8.503 -3.685 1.00 53.02 N ATOM 981 CA LYS A 62 -1.271 9.043 -4.973 1.00 43.43 C ATOM 982 C LYS A 62 -0.573 7.951 -5.796 1.00 70.14 C ATOM 983 O LYS A 62 -0.750 7.862 -7.019 1.00 54.33 O ATOM 984 CB LYS A 62 -0.294 10.216 -4.707 1.00 53.20 C ATOM 985 CG LYS A 62 0.184 10.991 -5.958 1.00 43.43 C ATOM 986 CD LYS A 62 -0.968 11.688 -6.714 1.00 70.33 C ATOM 987 CE LYS A 62 -0.469 12.558 -7.881 1.00 72.41 C ATOM 988 NZ LYS A 62 0.323 11.778 -8.875 1.00 5.44 N ATOM 0 H LYS A 62 -1.064 8.610 -2.934 1.00 53.02 H new ATOM 0 HA LYS A 62 -2.127 9.402 -5.544 1.00 43.43 H new ATOM 0 HB2 LYS A 62 -0.777 10.920 -4.029 1.00 53.20 H new ATOM 0 HB3 LYS A 62 0.581 9.825 -4.189 1.00 53.20 H new ATOM 0 HG2 LYS A 62 0.918 11.738 -5.657 1.00 43.43 H new ATOM 0 HG3 LYS A 62 0.690 10.302 -6.634 1.00 43.43 H new ATOM 0 HD2 LYS A 62 -1.656 10.934 -7.096 1.00 70.33 H new ATOM 0 HD3 LYS A 62 -1.531 12.309 -6.018 1.00 70.33 H new ATOM 0 HE2 LYS A 62 -1.323 13.016 -8.380 1.00 72.41 H new ATOM 0 HE3 LYS A 62 0.144 13.370 -7.489 1.00 72.41 H new ATOM 0 HZ1 LYS A 62 0.579 12.392 -9.674 1.00 5.44 H new ATOM 0 HZ2 LYS A 62 1.188 11.418 -8.424 1.00 5.44 H new ATOM 0 HZ3 LYS A 62 -0.245 10.978 -9.221 1.00 5.44 H new ATOM 1002 N SER A 63 0.220 7.119 -5.107 1.00 3.54 N ATOM 1003 CA SER A 63 1.006 6.040 -5.724 1.00 22.32 C ATOM 1004 C SER A 63 1.178 4.896 -4.713 1.00 2.14 C ATOM 1005 O SER A 63 1.242 5.136 -3.501 1.00 62.21 O ATOM 1006 CB SER A 63 2.385 6.560 -6.207 1.00 1.42 C ATOM 1007 OG SER A 63 2.246 7.610 -7.154 1.00 50.21 O ATOM 0 H SER A 63 0.335 7.176 -4.095 1.00 3.54 H new ATOM 0 HA SER A 63 0.473 5.669 -6.599 1.00 22.32 H new ATOM 0 HB2 SER A 63 2.961 6.914 -5.352 1.00 1.42 H new ATOM 0 HB3 SER A 63 2.948 5.740 -6.652 1.00 1.42 H new ATOM 0 HG SER A 63 1.771 7.277 -7.944 1.00 50.21 H new ATOM 1013 N VAL A 64 1.223 3.657 -5.223 1.00 25.41 N ATOM 1014 CA VAL A 64 1.482 2.447 -4.420 1.00 41.33 C ATOM 1015 C VAL A 64 2.776 1.791 -4.920 1.00 61.14 C ATOM 1016 O VAL A 64 3.021 1.733 -6.121 1.00 53.03 O ATOM 1017 CB VAL A 64 0.293 1.408 -4.496 1.00 32.33 C ATOM 1018 CG1 VAL A 64 0.636 0.074 -3.783 1.00 22.52 C ATOM 1019 CG2 VAL A 64 -1.009 2.010 -3.918 1.00 11.04 C ATOM 0 H VAL A 64 1.080 3.462 -6.214 1.00 25.41 H new ATOM 0 HA VAL A 64 1.578 2.747 -3.377 1.00 41.33 H new ATOM 0 HB VAL A 64 0.136 1.185 -5.551 1.00 32.33 H new ATOM 0 HG11 VAL A 64 -0.210 -0.608 -3.861 1.00 22.52 H new ATOM 0 HG12 VAL A 64 1.510 -0.376 -4.254 1.00 22.52 H new ATOM 0 HG13 VAL A 64 0.850 0.268 -2.732 1.00 22.52 H new ATOM 0 HG21 VAL A 64 -1.810 1.274 -3.983 1.00 11.04 H new ATOM 0 HG22 VAL A 64 -0.851 2.284 -2.875 1.00 11.04 H new ATOM 0 HG23 VAL A 64 -1.284 2.897 -4.488 1.00 11.04 H new ATOM 1029 N PHE A 65 3.598 1.331 -3.979 1.00 22.11 N ATOM 1030 CA PHE A 65 4.813 0.551 -4.241 1.00 32.22 C ATOM 1031 C PHE A 65 4.755 -0.708 -3.374 1.00 51.43 C ATOM 1032 O PHE A 65 4.290 -0.657 -2.236 1.00 72.54 O ATOM 1033 CB PHE A 65 6.081 1.399 -3.918 1.00 52.52 C ATOM 1034 CG PHE A 65 7.416 0.657 -4.061 1.00 1.03 C ATOM 1035 CD1 PHE A 65 7.945 0.380 -5.317 1.00 70.21 C ATOM 1036 CD2 PHE A 65 8.139 0.233 -2.938 1.00 21.13 C ATOM 1037 CE1 PHE A 65 9.147 -0.289 -5.455 1.00 61.14 C ATOM 1038 CE2 PHE A 65 9.339 -0.436 -3.078 1.00 33.31 C ATOM 1039 CZ PHE A 65 9.844 -0.697 -4.335 1.00 34.12 C ATOM 0 H PHE A 65 3.436 1.493 -2.985 1.00 22.11 H new ATOM 0 HA PHE A 65 4.871 0.272 -5.293 1.00 32.22 H new ATOM 0 HB2 PHE A 65 6.094 2.268 -4.575 1.00 52.52 H new ATOM 0 HB3 PHE A 65 5.999 1.772 -2.897 1.00 52.52 H new ATOM 0 HD1 PHE A 65 7.407 0.693 -6.200 1.00 70.21 H new ATOM 0 HD2 PHE A 65 7.752 0.432 -1.949 1.00 21.13 H new ATOM 0 HE1 PHE A 65 9.541 -0.493 -6.440 1.00 61.14 H new ATOM 0 HE2 PHE A 65 9.883 -0.756 -2.202 1.00 33.31 H new ATOM 0 HZ PHE A 65 10.783 -1.220 -4.443 1.00 34.12 H new ATOM 1049 N PHE A 66 5.191 -1.842 -3.923 1.00 51.43 N ATOM 1050 CA PHE A 66 5.359 -3.085 -3.165 1.00 12.21 C ATOM 1051 C PHE A 66 6.851 -3.433 -3.111 1.00 73.52 C ATOM 1052 O PHE A 66 7.516 -3.539 -4.151 1.00 71.33 O ATOM 1053 CB PHE A 66 4.535 -4.246 -3.783 1.00 43.35 C ATOM 1054 CG PHE A 66 3.007 -4.140 -3.644 1.00 21.31 C ATOM 1055 CD1 PHE A 66 2.418 -3.464 -2.573 1.00 4.34 C ATOM 1056 CD2 PHE A 66 2.161 -4.735 -4.581 1.00 31.14 C ATOM 1057 CE1 PHE A 66 1.042 -3.383 -2.447 1.00 71.03 C ATOM 1058 CE2 PHE A 66 0.781 -4.651 -4.450 1.00 12.33 C ATOM 1059 CZ PHE A 66 0.225 -3.977 -3.385 1.00 64.32 C ATOM 0 H PHE A 66 5.439 -1.926 -4.909 1.00 51.43 H new ATOM 0 HA PHE A 66 4.982 -2.939 -2.153 1.00 12.21 H new ATOM 0 HB2 PHE A 66 4.779 -4.314 -4.843 1.00 43.35 H new ATOM 0 HB3 PHE A 66 4.858 -5.179 -3.321 1.00 43.35 H new ATOM 0 HD1 PHE A 66 3.047 -2.996 -1.830 1.00 4.34 H new ATOM 0 HD2 PHE A 66 2.585 -5.268 -5.419 1.00 31.14 H new ATOM 0 HE1 PHE A 66 0.608 -2.853 -1.612 1.00 71.03 H new ATOM 0 HE2 PHE A 66 0.141 -5.116 -5.186 1.00 12.33 H new ATOM 0 HZ PHE A 66 -0.849 -3.914 -3.285 1.00 64.32 H new ATOM 1069 N GLY A 67 7.345 -3.588 -1.884 1.00 72.23 N ATOM 1070 CA GLY A 67 8.740 -3.908 -1.590 1.00 1.45 C ATOM 1071 C GLY A 67 8.872 -5.305 -0.988 1.00 13.15 C ATOM 1072 O GLY A 67 7.844 -5.981 -0.808 1.00 43.45 O ATOM 0 H GLY A 67 6.772 -3.492 -1.046 1.00 72.23 H new ATOM 0 HA2 GLY A 67 9.330 -3.846 -2.504 1.00 1.45 H new ATOM 0 HA3 GLY A 67 9.147 -3.171 -0.897 1.00 1.45 H new ATOM 1076 N PRO A 68 10.127 -5.787 -0.692 1.00 25.33 N ATOM 1077 CA PRO A 68 10.370 -7.120 -0.071 1.00 35.02 C ATOM 1078 C PRO A 68 9.560 -7.342 1.229 1.00 32.05 C ATOM 1079 O PRO A 68 9.948 -6.875 2.309 1.00 52.53 O ATOM 1080 CB PRO A 68 11.898 -7.132 0.174 1.00 62.45 C ATOM 1081 CG PRO A 68 12.442 -6.191 -0.859 1.00 52.23 C ATOM 1082 CD PRO A 68 11.414 -5.082 -0.961 1.00 64.20 C ATOM 0 HA PRO A 68 10.039 -7.938 -0.711 1.00 35.02 H new ATOM 0 HB2 PRO A 68 12.142 -6.800 1.183 1.00 62.45 H new ATOM 0 HB3 PRO A 68 12.312 -8.134 0.058 1.00 62.45 H new ATOM 0 HG2 PRO A 68 13.416 -5.800 -0.563 1.00 52.23 H new ATOM 0 HG3 PRO A 68 12.578 -6.693 -1.817 1.00 52.23 H new ATOM 0 HD2 PRO A 68 11.600 -4.292 -0.234 1.00 64.20 H new ATOM 0 HD3 PRO A 68 11.420 -4.616 -1.946 1.00 64.20 H new ATOM 1090 N ASP A 69 8.379 -7.972 1.053 1.00 62.51 N ATOM 1091 CA ASP A 69 7.443 -8.355 2.137 1.00 21.21 C ATOM 1092 C ASP A 69 6.915 -7.142 2.920 1.00 53.23 C ATOM 1093 O ASP A 69 6.562 -7.234 4.101 1.00 32.00 O ATOM 1094 CB ASP A 69 8.075 -9.437 3.056 1.00 12.33 C ATOM 1095 CG ASP A 69 8.461 -10.709 2.280 1.00 54.25 C ATOM 1096 OD1 ASP A 69 7.733 -11.071 1.326 1.00 71.42 O ATOM 1097 OD2 ASP A 69 9.471 -11.352 2.618 1.00 1.43 O ATOM 0 H ASP A 69 8.039 -8.236 0.128 1.00 62.51 H new ATOM 0 HA ASP A 69 6.564 -8.799 1.669 1.00 21.21 H new ATOM 0 HB2 ASP A 69 8.961 -9.027 3.541 1.00 12.33 H new ATOM 0 HB3 ASP A 69 7.371 -9.696 3.846 1.00 12.33 H new ATOM 1102 N SER A 70 6.776 -6.031 2.190 1.00 43.31 N ATOM 1103 CA SER A 70 6.350 -4.739 2.729 1.00 73.24 C ATOM 1104 C SER A 70 5.657 -3.917 1.627 1.00 61.10 C ATOM 1105 O SER A 70 5.755 -4.244 0.440 1.00 24.31 O ATOM 1106 CB SER A 70 7.581 -3.994 3.280 1.00 24.34 C ATOM 1107 OG SER A 70 8.627 -3.945 2.317 1.00 63.14 O ATOM 0 H SER A 70 6.961 -6.006 1.187 1.00 43.31 H new ATOM 0 HA SER A 70 5.636 -4.889 3.539 1.00 73.24 H new ATOM 0 HB2 SER A 70 7.298 -2.981 3.565 1.00 24.34 H new ATOM 0 HB3 SER A 70 7.937 -4.492 4.182 1.00 24.34 H new ATOM 0 HG SER A 70 9.060 -4.822 2.260 1.00 63.14 H new ATOM 1113 N ILE A 71 4.944 -2.863 2.036 1.00 3.43 N ATOM 1114 CA ILE A 71 4.276 -1.906 1.125 1.00 44.43 C ATOM 1115 C ILE A 71 4.829 -0.501 1.422 1.00 44.32 C ATOM 1116 O ILE A 71 5.307 -0.254 2.521 1.00 20.55 O ATOM 1117 CB ILE A 71 2.710 -1.950 1.332 1.00 13.30 C ATOM 1118 CG1 ILE A 71 2.193 -3.420 1.182 1.00 11.41 C ATOM 1119 CG2 ILE A 71 1.963 -0.986 0.373 1.00 15.01 C ATOM 1120 CD1 ILE A 71 0.729 -3.615 1.494 1.00 13.11 C ATOM 0 H ILE A 71 4.808 -2.640 3.022 1.00 3.43 H new ATOM 0 HA ILE A 71 4.476 -2.170 0.086 1.00 44.43 H new ATOM 0 HB ILE A 71 2.496 -1.603 2.343 1.00 13.30 H new ATOM 0 HG12 ILE A 71 2.379 -3.752 0.161 1.00 11.41 H new ATOM 0 HG13 ILE A 71 2.778 -4.064 1.838 1.00 11.41 H new ATOM 0 HG21 ILE A 71 0.890 -1.052 0.554 1.00 15.01 H new ATOM 0 HG22 ILE A 71 2.298 0.036 0.550 1.00 15.01 H new ATOM 0 HG23 ILE A 71 2.175 -1.263 -0.660 1.00 15.01 H new ATOM 0 HD11 ILE A 71 0.465 -4.664 1.362 1.00 13.11 H new ATOM 0 HD12 ILE A 71 0.534 -3.319 2.525 1.00 13.11 H new ATOM 0 HD13 ILE A 71 0.129 -3.003 0.821 1.00 13.11 H new ATOM 1132 N THR A 72 4.828 0.385 0.422 1.00 42.01 N ATOM 1133 CA THR A 72 5.244 1.789 0.565 1.00 71.22 C ATOM 1134 C THR A 72 4.271 2.672 -0.246 1.00 64.41 C ATOM 1135 O THR A 72 4.226 2.586 -1.471 1.00 71.04 O ATOM 1136 CB THR A 72 6.728 1.972 0.084 1.00 41.44 C ATOM 1137 OG1 THR A 72 7.575 1.025 0.761 1.00 62.24 O ATOM 1138 CG2 THR A 72 7.264 3.386 0.340 1.00 34.41 C ATOM 0 H THR A 72 4.534 0.146 -0.525 1.00 42.01 H new ATOM 0 HA THR A 72 5.208 2.089 1.612 1.00 71.22 H new ATOM 0 HB THR A 72 6.736 1.803 -0.993 1.00 41.44 H new ATOM 0 HG1 THR A 72 8.500 1.139 0.459 1.00 62.24 H new ATOM 0 HG21 THR A 72 8.293 3.454 -0.012 1.00 34.41 H new ATOM 0 HG22 THR A 72 6.649 4.110 -0.194 1.00 34.41 H new ATOM 0 HG23 THR A 72 7.231 3.600 1.408 1.00 34.41 H new ATOM 1146 N VAL A 73 3.472 3.498 0.454 1.00 55.21 N ATOM 1147 CA VAL A 73 2.410 4.327 -0.159 1.00 3.44 C ATOM 1148 C VAL A 73 2.842 5.806 -0.126 1.00 4.42 C ATOM 1149 O VAL A 73 3.493 6.239 0.828 1.00 31.33 O ATOM 1150 CB VAL A 73 1.034 4.147 0.600 1.00 63.34 C ATOM 1151 CG1 VAL A 73 -0.090 5.016 -0.016 1.00 52.02 C ATOM 1152 CG2 VAL A 73 0.607 2.657 0.656 1.00 34.14 C ATOM 0 H VAL A 73 3.543 3.612 1.465 1.00 55.21 H new ATOM 0 HA VAL A 73 2.266 4.005 -1.190 1.00 3.44 H new ATOM 0 HB VAL A 73 1.193 4.494 1.621 1.00 63.34 H new ATOM 0 HG11 VAL A 73 -1.016 4.859 0.538 1.00 52.02 H new ATOM 0 HG12 VAL A 73 0.192 6.068 0.038 1.00 52.02 H new ATOM 0 HG13 VAL A 73 -0.238 4.734 -1.058 1.00 52.02 H new ATOM 0 HG21 VAL A 73 -0.342 2.570 1.184 1.00 34.14 H new ATOM 0 HG22 VAL A 73 0.495 2.272 -0.358 1.00 34.14 H new ATOM 0 HG23 VAL A 73 1.368 2.080 1.181 1.00 34.14 H new ATOM 1162 N THR A 74 2.488 6.562 -1.175 1.00 10.54 N ATOM 1163 CA THR A 74 2.722 8.011 -1.259 1.00 42.55 C ATOM 1164 C THR A 74 1.374 8.761 -1.160 1.00 44.33 C ATOM 1165 O THR A 74 0.368 8.297 -1.694 1.00 70.30 O ATOM 1166 CB THR A 74 3.442 8.374 -2.600 1.00 35.13 C ATOM 1167 OG1 THR A 74 4.700 7.678 -2.684 1.00 52.24 O ATOM 1168 CG2 THR A 74 3.686 9.888 -2.751 1.00 52.44 C ATOM 0 H THR A 74 2.025 6.180 -2.000 1.00 10.54 H new ATOM 0 HA THR A 74 3.364 8.313 -0.432 1.00 42.55 H new ATOM 0 HB THR A 74 2.781 8.065 -3.410 1.00 35.13 H new ATOM 0 HG1 THR A 74 5.145 7.908 -3.526 1.00 52.24 H new ATOM 0 HG21 THR A 74 4.188 10.083 -3.699 1.00 52.44 H new ATOM 0 HG22 THR A 74 2.732 10.414 -2.731 1.00 52.44 H new ATOM 0 HG23 THR A 74 4.311 10.239 -1.930 1.00 52.44 H new ATOM 1176 N LYS A 75 1.379 9.910 -0.459 1.00 33.21 N ATOM 1177 CA LYS A 75 0.208 10.805 -0.317 1.00 11.12 C ATOM 1178 C LYS A 75 0.151 11.806 -1.493 1.00 4.32 C ATOM 1179 O LYS A 75 1.177 12.080 -2.130 1.00 44.14 O ATOM 1180 CB LYS A 75 0.271 11.563 1.042 1.00 41.43 C ATOM 1181 CG LYS A 75 1.493 12.500 1.189 1.00 74.44 C ATOM 1182 CD LYS A 75 1.651 13.098 2.606 1.00 71.20 C ATOM 1183 CE LYS A 75 1.848 12.031 3.684 1.00 33.53 C ATOM 1184 NZ LYS A 75 2.111 12.613 5.024 1.00 61.24 N ATOM 0 H LYS A 75 2.206 10.250 0.032 1.00 33.21 H new ATOM 0 HA LYS A 75 -0.699 10.200 -0.335 1.00 11.12 H new ATOM 0 HB2 LYS A 75 -0.640 12.150 1.160 1.00 41.43 H new ATOM 0 HB3 LYS A 75 0.287 10.834 1.852 1.00 41.43 H new ATOM 0 HG2 LYS A 75 2.397 11.946 0.935 1.00 74.44 H new ATOM 0 HG3 LYS A 75 1.405 13.313 0.469 1.00 74.44 H new ATOM 0 HD2 LYS A 75 2.503 13.778 2.615 1.00 71.20 H new ATOM 0 HD3 LYS A 75 0.768 13.690 2.845 1.00 71.20 H new ATOM 0 HE2 LYS A 75 0.959 11.402 3.734 1.00 33.53 H new ATOM 0 HE3 LYS A 75 2.680 11.386 3.403 1.00 33.53 H new ATOM 0 HZ1 LYS A 75 2.287 11.848 5.706 1.00 61.24 H new ATOM 0 HZ2 LYS A 75 2.945 13.233 4.976 1.00 61.24 H new ATOM 0 HZ3 LYS A 75 1.286 13.167 5.330 1.00 61.24 H new ATOM 1198 N GLU A 76 -1.058 12.339 -1.782 1.00 22.20 N ATOM 1199 CA GLU A 76 -1.276 13.321 -2.876 1.00 54.32 C ATOM 1200 C GLU A 76 -0.509 14.627 -2.613 1.00 14.12 C ATOM 1201 O GLU A 76 0.213 15.133 -3.482 1.00 13.42 O ATOM 1202 CB GLU A 76 -2.783 13.625 -3.048 1.00 4.04 C ATOM 1203 CG GLU A 76 -3.658 12.396 -3.347 1.00 1.14 C ATOM 1204 CD GLU A 76 -5.150 12.748 -3.445 1.00 72.13 C ATOM 1205 OE1 GLU A 76 -5.824 12.835 -2.394 1.00 73.02 O ATOM 1206 OE2 GLU A 76 -5.651 12.964 -4.570 1.00 40.32 O ATOM 0 H GLU A 76 -1.907 12.104 -1.268 1.00 22.20 H new ATOM 0 HA GLU A 76 -0.896 12.876 -3.796 1.00 54.32 H new ATOM 0 HB2 GLU A 76 -3.149 14.102 -2.139 1.00 4.04 H new ATOM 0 HB3 GLU A 76 -2.904 14.345 -3.857 1.00 4.04 H new ATOM 0 HG2 GLU A 76 -3.333 11.941 -4.283 1.00 1.14 H new ATOM 0 HG3 GLU A 76 -3.514 11.652 -2.564 1.00 1.14 H new ATOM 1213 N ASN A 77 -0.676 15.148 -1.397 1.00 13.21 N ATOM 1214 CA ASN A 77 -0.043 16.394 -0.937 1.00 41.44 C ATOM 1215 C ASN A 77 0.454 16.203 0.502 1.00 42.34 C ATOM 1216 O ASN A 77 -0.122 15.407 1.252 1.00 42.53 O ATOM 1217 CB ASN A 77 -1.042 17.574 -1.030 1.00 43.11 C ATOM 1218 CG ASN A 77 -2.321 17.351 -0.220 1.00 14.31 C ATOM 1219 OD1 ASN A 77 -2.393 17.687 0.960 1.00 31.33 O ATOM 1220 ND2 ASN A 77 -3.338 16.770 -0.844 1.00 40.13 N ATOM 0 H ASN A 77 -1.265 14.711 -0.688 1.00 13.21 H new ATOM 0 HA ASN A 77 0.807 16.631 -1.577 1.00 41.44 H new ATOM 0 HB2 ASN A 77 -0.553 18.483 -0.680 1.00 43.11 H new ATOM 0 HB3 ASN A 77 -1.306 17.736 -2.075 1.00 43.11 H new ATOM 0 HD21 ASN A 77 -4.209 16.591 -0.343 1.00 40.13 H new ATOM 0 HD22 ASN A 77 -3.249 16.502 -1.824 1.00 40.13 H new ATOM 1227 N GLU A 78 1.502 16.956 0.892 1.00 44.34 N ATOM 1228 CA GLU A 78 2.192 16.781 2.191 1.00 24.41 C ATOM 1229 C GLU A 78 1.353 17.251 3.395 1.00 22.32 C ATOM 1230 O GLU A 78 1.713 16.973 4.545 1.00 32.52 O ATOM 1231 CB GLU A 78 3.604 17.445 2.161 1.00 51.45 C ATOM 1232 CG GLU A 78 3.679 18.918 1.692 1.00 64.03 C ATOM 1233 CD GLU A 78 3.130 19.939 2.700 1.00 41.31 C ATOM 1234 OE1 GLU A 78 3.775 20.162 3.738 1.00 14.00 O ATOM 1235 OE2 GLU A 78 2.056 20.526 2.461 1.00 1.11 O ATOM 0 H GLU A 78 1.895 17.702 0.318 1.00 44.34 H new ATOM 0 HA GLU A 78 2.325 15.709 2.336 1.00 24.41 H new ATOM 0 HB2 GLU A 78 4.027 17.387 3.164 1.00 51.45 H new ATOM 0 HB3 GLU A 78 4.244 16.849 1.510 1.00 51.45 H new ATOM 0 HG2 GLU A 78 4.719 19.164 1.475 1.00 64.03 H new ATOM 0 HG3 GLU A 78 3.127 19.017 0.758 1.00 64.03 H new ATOM 1242 N GLU A 79 0.236 17.952 3.121 1.00 14.01 N ATOM 1243 CA GLU A 79 -0.708 18.401 4.167 1.00 74.50 C ATOM 1244 C GLU A 79 -1.473 17.179 4.718 1.00 34.31 C ATOM 1245 O GLU A 79 -1.792 17.131 5.911 1.00 2.52 O ATOM 1246 CB GLU A 79 -1.677 19.487 3.589 1.00 71.14 C ATOM 1247 CG GLU A 79 -2.244 20.518 4.600 1.00 44.14 C ATOM 1248 CD GLU A 79 -3.182 19.934 5.674 1.00 0.01 C ATOM 1249 OE1 GLU A 79 -4.265 19.432 5.321 1.00 54.32 O ATOM 1250 OE2 GLU A 79 -2.851 19.984 6.876 1.00 60.22 O ATOM 0 H GLU A 79 -0.038 18.222 2.176 1.00 14.01 H new ATOM 0 HA GLU A 79 -0.163 18.861 4.991 1.00 74.50 H new ATOM 0 HB2 GLU A 79 -1.150 20.032 2.806 1.00 71.14 H new ATOM 0 HB3 GLU A 79 -2.516 18.978 3.114 1.00 71.14 H new ATOM 0 HG2 GLU A 79 -1.410 21.011 5.098 1.00 44.14 H new ATOM 0 HG3 GLU A 79 -2.784 21.286 4.047 1.00 44.14 H new ATOM 1257 N LEU A 80 -1.714 16.179 3.838 1.00 3.23 N ATOM 1258 CA LEU A 80 -2.388 14.923 4.203 1.00 70.11 C ATOM 1259 C LEU A 80 -1.581 14.170 5.269 1.00 42.23 C ATOM 1260 O LEU A 80 -0.392 13.890 5.080 1.00 30.44 O ATOM 1261 CB LEU A 80 -2.560 14.020 2.959 1.00 25.04 C ATOM 1262 CG LEU A 80 -3.533 14.535 1.863 1.00 21.02 C ATOM 1263 CD1 LEU A 80 -3.477 13.639 0.617 1.00 34.24 C ATOM 1264 CD2 LEU A 80 -4.972 14.654 2.403 1.00 13.05 C ATOM 0 H LEU A 80 -1.444 16.226 2.855 1.00 3.23 H new ATOM 0 HA LEU A 80 -3.370 15.172 4.605 1.00 70.11 H new ATOM 0 HB2 LEU A 80 -1.580 13.873 2.505 1.00 25.04 H new ATOM 0 HB3 LEU A 80 -2.907 13.042 3.292 1.00 25.04 H new ATOM 0 HG LEU A 80 -3.210 15.534 1.571 1.00 21.02 H new ATOM 0 HD11 LEU A 80 -4.167 14.020 -0.136 1.00 34.24 H new ATOM 0 HD12 LEU A 80 -2.464 13.639 0.214 1.00 34.24 H new ATOM 0 HD13 LEU A 80 -3.760 12.622 0.887 1.00 34.24 H new ATOM 0 HD21 LEU A 80 -5.629 15.017 1.612 1.00 13.05 H new ATOM 0 HD22 LEU A 80 -5.316 13.676 2.740 1.00 13.05 H new ATOM 0 HD23 LEU A 80 -4.990 15.353 3.239 1.00 13.05 H new ATOM 1276 N ASP A 81 -2.234 13.886 6.388 1.00 3.14 N ATOM 1277 CA ASP A 81 -1.638 13.117 7.490 1.00 43.12 C ATOM 1278 C ASP A 81 -1.897 11.616 7.294 1.00 31.10 C ATOM 1279 O ASP A 81 -2.985 11.225 6.875 1.00 51.31 O ATOM 1280 CB ASP A 81 -2.190 13.597 8.852 1.00 4.34 C ATOM 1281 CG ASP A 81 -1.633 12.801 10.048 1.00 64.24 C ATOM 1282 OD1 ASP A 81 -0.402 12.804 10.257 1.00 5.24 O ATOM 1283 OD2 ASP A 81 -2.412 12.146 10.753 1.00 52.43 O ATOM 0 H ASP A 81 -3.195 14.180 6.565 1.00 3.14 H new ATOM 0 HA ASP A 81 -0.561 13.283 7.486 1.00 43.12 H new ATOM 0 HB2 ASP A 81 -1.950 14.652 8.983 1.00 4.34 H new ATOM 0 HB3 ASP A 81 -3.277 13.516 8.845 1.00 4.34 H new ATOM 1288 N TRP A 82 -0.891 10.783 7.634 1.00 43.02 N ATOM 1289 CA TRP A 82 -0.949 9.324 7.431 1.00 4.35 C ATOM 1290 C TRP A 82 -1.982 8.645 8.339 1.00 34.23 C ATOM 1291 O TRP A 82 -2.568 7.645 7.938 1.00 2.53 O ATOM 1292 CB TRP A 82 0.454 8.666 7.608 1.00 74.33 C ATOM 1293 CG TRP A 82 1.339 8.805 6.390 1.00 44.14 C ATOM 1294 CD1 TRP A 82 2.579 9.389 6.307 1.00 41.10 C ATOM 1295 CD2 TRP A 82 1.025 8.338 5.061 1.00 74.33 C ATOM 1296 NE1 TRP A 82 3.048 9.311 5.015 1.00 74.12 N ATOM 1297 CE2 TRP A 82 2.111 8.671 4.236 1.00 32.11 C ATOM 1298 CE3 TRP A 82 -0.074 7.670 4.492 1.00 54.52 C ATOM 1299 CZ2 TRP A 82 2.131 8.360 2.883 1.00 54.43 C ATOM 1300 CZ3 TRP A 82 -0.047 7.366 3.150 1.00 45.31 C ATOM 1301 CH2 TRP A 82 1.048 7.713 2.359 1.00 43.24 C ATOM 0 H TRP A 82 -0.019 11.104 8.055 1.00 43.02 H new ATOM 0 HA TRP A 82 -1.273 9.171 6.402 1.00 4.35 H new ATOM 0 HB2 TRP A 82 0.954 9.118 8.465 1.00 74.33 H new ATOM 0 HB3 TRP A 82 0.325 7.608 7.836 1.00 74.33 H new ATOM 0 HD1 TRP A 82 3.108 9.842 7.133 1.00 41.10 H new ATOM 0 HE1 TRP A 82 3.945 9.670 4.688 1.00 74.12 H new ATOM 0 HE3 TRP A 82 -0.926 7.400 5.099 1.00 54.52 H new ATOM 0 HZ2 TRP A 82 2.977 8.621 2.264 1.00 54.43 H new ATOM 0 HZ3 TRP A 82 -0.885 6.852 2.703 1.00 45.31 H new ATOM 0 HH2 TRP A 82 1.040 7.464 1.308 1.00 43.24 H new ATOM 1312 N ASN A 83 -2.227 9.208 9.542 1.00 64.40 N ATOM 1313 CA ASN A 83 -3.162 8.614 10.539 1.00 54.33 C ATOM 1314 C ASN A 83 -4.621 8.703 10.060 1.00 62.35 C ATOM 1315 O ASN A 83 -5.489 7.995 10.578 1.00 24.45 O ATOM 1316 CB ASN A 83 -3.000 9.243 11.943 1.00 14.23 C ATOM 1317 CG ASN A 83 -1.600 9.044 12.523 1.00 23.11 C ATOM 1318 OD1 ASN A 83 -1.333 8.058 13.211 1.00 50.22 O ATOM 1319 ND2 ASN A 83 -0.690 9.963 12.231 1.00 51.44 N ATOM 0 H ASN A 83 -1.791 10.076 9.853 1.00 64.40 H new ATOM 0 HA ASN A 83 -2.898 7.560 10.628 1.00 54.33 H new ATOM 0 HB2 ASN A 83 -3.216 10.310 11.885 1.00 14.23 H new ATOM 0 HB3 ASN A 83 -3.734 8.805 12.619 1.00 14.23 H new ATOM 0 HD21 ASN A 83 0.264 9.865 12.579 1.00 51.44 H new ATOM 0 HD22 ASN A 83 -0.944 10.768 11.658 1.00 51.44 H new ATOM 1326 N LEU A 84 -4.884 9.614 9.099 1.00 2.32 N ATOM 1327 CA LEU A 84 -6.197 9.723 8.437 1.00 32.32 C ATOM 1328 C LEU A 84 -6.422 8.482 7.551 1.00 70.13 C ATOM 1329 O LEU A 84 -7.478 7.841 7.599 1.00 23.41 O ATOM 1330 CB LEU A 84 -6.262 11.010 7.566 1.00 73.45 C ATOM 1331 CG LEU A 84 -5.944 12.354 8.288 1.00 52.41 C ATOM 1332 CD1 LEU A 84 -5.983 13.536 7.296 1.00 10.15 C ATOM 1333 CD2 LEU A 84 -6.879 12.588 9.497 1.00 60.33 C ATOM 0 H LEU A 84 -4.196 10.289 8.764 1.00 2.32 H new ATOM 0 HA LEU A 84 -6.976 9.780 9.197 1.00 32.32 H new ATOM 0 HB2 LEU A 84 -5.565 10.896 6.735 1.00 73.45 H new ATOM 0 HB3 LEU A 84 -7.261 11.081 7.136 1.00 73.45 H new ATOM 0 HG LEU A 84 -4.930 12.288 8.682 1.00 52.41 H new ATOM 0 HD11 LEU A 84 -5.758 14.462 7.825 1.00 10.15 H new ATOM 0 HD12 LEU A 84 -5.243 13.377 6.511 1.00 10.15 H new ATOM 0 HD13 LEU A 84 -6.975 13.605 6.851 1.00 10.15 H new ATOM 0 HD21 LEU A 84 -6.626 13.535 9.974 1.00 60.33 H new ATOM 0 HD22 LEU A 84 -7.914 12.618 9.156 1.00 60.33 H new ATOM 0 HD23 LEU A 84 -6.757 11.776 10.214 1.00 60.33 H new ATOM 1345 N LEU A 85 -5.383 8.161 6.757 1.00 63.44 N ATOM 1346 CA LEU A 85 -5.391 7.030 5.823 1.00 61.45 C ATOM 1347 C LEU A 85 -5.239 5.677 6.550 1.00 72.42 C ATOM 1348 O LEU A 85 -5.758 4.686 6.062 1.00 1.34 O ATOM 1349 CB LEU A 85 -4.268 7.190 4.754 1.00 23.43 C ATOM 1350 CG LEU A 85 -4.433 8.359 3.714 1.00 2.15 C ATOM 1351 CD1 LEU A 85 -4.083 9.736 4.304 1.00 0.02 C ATOM 1352 CD2 LEU A 85 -3.625 8.074 2.426 1.00 51.31 C ATOM 0 H LEU A 85 -4.509 8.687 6.749 1.00 63.44 H new ATOM 0 HA LEU A 85 -6.361 7.033 5.326 1.00 61.45 H new ATOM 0 HB2 LEU A 85 -3.322 7.332 5.276 1.00 23.43 H new ATOM 0 HB3 LEU A 85 -4.190 6.254 4.202 1.00 23.43 H new ATOM 0 HG LEU A 85 -5.490 8.399 3.452 1.00 2.15 H new ATOM 0 HD11 LEU A 85 -4.215 10.503 3.541 1.00 0.02 H new ATOM 0 HD12 LEU A 85 -4.739 9.947 5.149 1.00 0.02 H new ATOM 0 HD13 LEU A 85 -3.046 9.735 4.641 1.00 0.02 H new ATOM 0 HD21 LEU A 85 -3.757 8.898 1.724 1.00 51.31 H new ATOM 0 HD22 LEU A 85 -2.568 7.974 2.674 1.00 51.31 H new ATOM 0 HD23 LEU A 85 -3.980 7.149 1.971 1.00 51.31 H new ATOM 1364 N LYS A 86 -4.510 5.640 7.694 1.00 71.33 N ATOM 1365 CA LYS A 86 -4.168 4.375 8.402 1.00 4.34 C ATOM 1366 C LYS A 86 -5.392 3.439 8.655 1.00 44.31 C ATOM 1367 O LYS A 86 -5.308 2.286 8.267 1.00 52.14 O ATOM 1368 CB LYS A 86 -3.391 4.627 9.729 1.00 42.01 C ATOM 1369 CG LYS A 86 -1.909 5.024 9.558 1.00 71.31 C ATOM 1370 CD LYS A 86 -1.221 5.315 10.914 1.00 51.11 C ATOM 1371 CE LYS A 86 0.188 5.903 10.761 1.00 11.13 C ATOM 1372 NZ LYS A 86 0.773 6.264 12.084 1.00 31.11 N ATOM 0 H LYS A 86 -4.145 6.476 8.150 1.00 71.33 H new ATOM 0 HA LYS A 86 -3.509 3.848 7.713 1.00 4.34 H new ATOM 0 HB2 LYS A 86 -3.900 5.415 10.285 1.00 42.01 H new ATOM 0 HB3 LYS A 86 -3.441 3.724 10.337 1.00 42.01 H new ATOM 0 HG2 LYS A 86 -1.376 4.222 9.047 1.00 71.31 H new ATOM 0 HG3 LYS A 86 -1.842 5.907 8.922 1.00 71.31 H new ATOM 0 HD2 LYS A 86 -1.837 6.009 11.486 1.00 51.11 H new ATOM 0 HD3 LYS A 86 -1.162 4.392 11.490 1.00 51.11 H new ATOM 0 HE2 LYS A 86 0.833 5.181 10.261 1.00 11.13 H new ATOM 0 HE3 LYS A 86 0.148 6.788 10.126 1.00 11.13 H new ATOM 0 HZ1 LYS A 86 1.681 6.751 11.941 1.00 31.11 H new ATOM 0 HZ2 LYS A 86 0.119 6.893 12.593 1.00 31.11 H new ATOM 0 HZ3 LYS A 86 0.928 5.400 12.642 1.00 31.11 H new ATOM 1386 N PRO A 87 -6.541 3.880 9.294 1.00 54.12 N ATOM 1387 CA PRO A 87 -7.692 2.963 9.560 1.00 14.43 C ATOM 1388 C PRO A 87 -8.261 2.344 8.264 1.00 64.52 C ATOM 1389 O PRO A 87 -8.742 1.213 8.259 1.00 32.30 O ATOM 1390 CB PRO A 87 -8.736 3.878 10.261 1.00 75.23 C ATOM 1391 CG PRO A 87 -7.935 5.016 10.811 1.00 55.24 C ATOM 1392 CD PRO A 87 -6.830 5.242 9.808 1.00 62.32 C ATOM 0 HA PRO A 87 -7.403 2.105 10.167 1.00 14.43 H new ATOM 0 HB2 PRO A 87 -9.491 4.229 9.557 1.00 75.23 H new ATOM 0 HB3 PRO A 87 -9.262 3.345 11.053 1.00 75.23 H new ATOM 0 HG2 PRO A 87 -8.549 5.909 10.929 1.00 55.24 H new ATOM 0 HG3 PRO A 87 -7.531 4.775 11.794 1.00 55.24 H new ATOM 0 HD2 PRO A 87 -7.145 5.913 9.009 1.00 62.32 H new ATOM 0 HD3 PRO A 87 -5.952 5.690 10.273 1.00 62.32 H new ATOM 1400 N ASP A 88 -8.178 3.128 7.180 1.00 51.22 N ATOM 1401 CA ASP A 88 -8.634 2.743 5.837 1.00 14.41 C ATOM 1402 C ASP A 88 -7.660 1.735 5.187 1.00 2.14 C ATOM 1403 O ASP A 88 -8.090 0.728 4.636 1.00 21.11 O ATOM 1404 CB ASP A 88 -8.779 4.027 4.978 1.00 1.23 C ATOM 1405 CG ASP A 88 -9.854 4.981 5.527 1.00 25.20 C ATOM 1406 OD1 ASP A 88 -9.566 5.726 6.494 1.00 43.12 O ATOM 1407 OD2 ASP A 88 -10.999 4.977 5.018 1.00 12.03 O ATOM 0 H ASP A 88 -7.783 4.068 7.213 1.00 51.22 H new ATOM 0 HA ASP A 88 -9.601 2.244 5.906 1.00 14.41 H new ATOM 0 HB2 ASP A 88 -7.821 4.546 4.941 1.00 1.23 H new ATOM 0 HB3 ASP A 88 -9.031 3.750 3.955 1.00 1.23 H new ATOM 1412 N ILE A 89 -6.345 2.021 5.295 1.00 43.02 N ATOM 1413 CA ILE A 89 -5.255 1.185 4.734 1.00 31.32 C ATOM 1414 C ILE A 89 -5.203 -0.174 5.461 1.00 4.41 C ATOM 1415 O ILE A 89 -5.002 -1.216 4.834 1.00 14.50 O ATOM 1416 CB ILE A 89 -3.851 1.925 4.820 1.00 60.21 C ATOM 1417 CG1 ILE A 89 -3.845 3.190 3.897 1.00 33.40 C ATOM 1418 CG2 ILE A 89 -2.664 0.986 4.476 1.00 61.32 C ATOM 1419 CD1 ILE A 89 -2.561 3.999 3.908 1.00 43.14 C ATOM 0 H ILE A 89 -6.003 2.850 5.781 1.00 43.02 H new ATOM 0 HA ILE A 89 -5.468 1.013 3.679 1.00 31.32 H new ATOM 0 HB ILE A 89 -3.714 2.239 5.855 1.00 60.21 H new ATOM 0 HG12 ILE A 89 -4.046 2.873 2.874 1.00 33.40 H new ATOM 0 HG13 ILE A 89 -4.667 3.841 4.196 1.00 33.40 H new ATOM 0 HG21 ILE A 89 -1.728 1.540 4.550 1.00 61.32 H new ATOM 0 HG22 ILE A 89 -2.647 0.150 5.176 1.00 61.32 H new ATOM 0 HG23 ILE A 89 -2.782 0.607 3.461 1.00 61.32 H new ATOM 0 HD11 ILE A 89 -2.662 4.852 3.236 1.00 43.14 H new ATOM 0 HD12 ILE A 89 -2.364 4.355 4.919 1.00 43.14 H new ATOM 0 HD13 ILE A 89 -1.733 3.372 3.576 1.00 43.14 H new ATOM 1431 N TYR A 90 -5.429 -0.135 6.781 1.00 33.23 N ATOM 1432 CA TYR A 90 -5.462 -1.324 7.640 1.00 73.44 C ATOM 1433 C TYR A 90 -6.669 -2.194 7.271 1.00 65.34 C ATOM 1434 O TYR A 90 -6.520 -3.393 7.046 1.00 22.24 O ATOM 1435 CB TYR A 90 -5.485 -0.927 9.147 1.00 3.43 C ATOM 1436 CG TYR A 90 -4.147 -0.400 9.724 1.00 61.04 C ATOM 1437 CD1 TYR A 90 -3.221 0.323 8.949 1.00 74.00 C ATOM 1438 CD2 TYR A 90 -3.817 -0.626 11.061 1.00 42.22 C ATOM 1439 CE1 TYR A 90 -2.037 0.793 9.488 1.00 42.22 C ATOM 1440 CE2 TYR A 90 -2.635 -0.158 11.601 1.00 2.34 C ATOM 1441 CZ TYR A 90 -1.750 0.551 10.814 1.00 22.02 C ATOM 1442 OH TYR A 90 -0.571 1.014 11.358 1.00 24.05 O ATOM 0 H TYR A 90 -5.596 0.734 7.288 1.00 33.23 H new ATOM 0 HA TYR A 90 -4.554 -1.904 7.476 1.00 73.44 H new ATOM 0 HB2 TYR A 90 -6.248 -0.162 9.290 1.00 3.43 H new ATOM 0 HB3 TYR A 90 -5.793 -1.796 9.728 1.00 3.43 H new ATOM 0 HD1 TYR A 90 -3.440 0.515 7.909 1.00 74.00 H new ATOM 0 HD2 TYR A 90 -4.501 -1.179 11.687 1.00 42.22 H new ATOM 0 HE1 TYR A 90 -1.342 1.346 8.874 1.00 42.22 H new ATOM 0 HE2 TYR A 90 -2.403 -0.347 12.639 1.00 2.34 H new ATOM 0 HH TYR A 90 -0.524 0.759 12.303 1.00 24.05 H new ATOM 1452 N ALA A 91 -7.853 -1.561 7.166 1.00 22.41 N ATOM 1453 CA ALA A 91 -9.102 -2.248 6.786 1.00 63.50 C ATOM 1454 C ALA A 91 -8.959 -2.944 5.407 1.00 34.14 C ATOM 1455 O ALA A 91 -9.366 -4.093 5.253 1.00 30.44 O ATOM 1456 CB ALA A 91 -10.276 -1.255 6.785 1.00 21.04 C ATOM 0 H ALA A 91 -7.970 -0.563 7.341 1.00 22.41 H new ATOM 0 HA ALA A 91 -9.307 -3.023 7.525 1.00 63.50 H new ATOM 0 HB1 ALA A 91 -11.192 -1.775 6.503 1.00 21.04 H new ATOM 0 HB2 ALA A 91 -10.393 -0.829 7.781 1.00 21.04 H new ATOM 0 HB3 ALA A 91 -10.077 -0.457 6.070 1.00 21.04 H new ATOM 1462 N THR A 92 -8.338 -2.232 4.442 1.00 65.14 N ATOM 1463 CA THR A 92 -8.081 -2.725 3.073 1.00 31.04 C ATOM 1464 C THR A 92 -7.178 -3.984 3.068 1.00 4.34 C ATOM 1465 O THR A 92 -7.581 -5.042 2.569 1.00 32.31 O ATOM 1466 CB THR A 92 -7.441 -1.591 2.196 1.00 21.30 C ATOM 1467 OG1 THR A 92 -8.369 -0.499 2.055 1.00 35.43 O ATOM 1468 CG2 THR A 92 -7.027 -2.083 0.805 1.00 31.40 C ATOM 0 H THR A 92 -7.996 -1.283 4.596 1.00 65.14 H new ATOM 0 HA THR A 92 -9.041 -3.011 2.644 1.00 31.04 H new ATOM 0 HB THR A 92 -6.539 -1.262 2.712 1.00 21.30 H new ATOM 0 HG1 THR A 92 -8.385 0.025 2.883 1.00 35.43 H new ATOM 0 HG21 THR A 92 -6.591 -1.258 0.242 1.00 31.40 H new ATOM 0 HG22 THR A 92 -6.293 -2.882 0.905 1.00 31.40 H new ATOM 0 HG23 THR A 92 -7.903 -2.460 0.277 1.00 31.40 H new ATOM 1476 N ILE A 93 -5.975 -3.846 3.653 1.00 14.23 N ATOM 1477 CA ILE A 93 -4.933 -4.891 3.634 1.00 25.14 C ATOM 1478 C ILE A 93 -5.390 -6.140 4.414 1.00 0.20 C ATOM 1479 O ILE A 93 -5.325 -7.256 3.892 1.00 13.14 O ATOM 1480 CB ILE A 93 -3.570 -4.338 4.204 1.00 32.50 C ATOM 1481 CG1 ILE A 93 -3.015 -3.191 3.300 1.00 2.10 C ATOM 1482 CG2 ILE A 93 -2.515 -5.457 4.365 1.00 65.14 C ATOM 1483 CD1 ILE A 93 -1.760 -2.520 3.829 1.00 1.42 C ATOM 0 H ILE A 93 -5.696 -3.003 4.155 1.00 14.23 H new ATOM 0 HA ILE A 93 -4.770 -5.184 2.597 1.00 25.14 H new ATOM 0 HB ILE A 93 -3.776 -3.935 5.195 1.00 32.50 H new ATOM 0 HG12 ILE A 93 -2.805 -3.596 2.310 1.00 2.10 H new ATOM 0 HG13 ILE A 93 -3.791 -2.435 3.177 1.00 2.10 H new ATOM 0 HG21 ILE A 93 -1.592 -5.033 4.760 1.00 65.14 H new ATOM 0 HG22 ILE A 93 -2.890 -6.214 5.053 1.00 65.14 H new ATOM 0 HG23 ILE A 93 -2.318 -5.914 3.395 1.00 65.14 H new ATOM 0 HD11 ILE A 93 -1.447 -1.738 3.138 1.00 1.42 H new ATOM 0 HD12 ILE A 93 -1.966 -2.081 4.805 1.00 1.42 H new ATOM 0 HD13 ILE A 93 -0.965 -3.259 3.924 1.00 1.42 H new ATOM 1495 N MET A 94 -5.888 -5.933 5.648 1.00 53.10 N ATOM 1496 CA MET A 94 -6.306 -7.041 6.529 1.00 14.40 C ATOM 1497 C MET A 94 -7.495 -7.826 5.915 1.00 34.24 C ATOM 1498 O MET A 94 -7.535 -9.053 6.015 1.00 74.13 O ATOM 1499 CB MET A 94 -6.635 -6.526 7.961 1.00 14.13 C ATOM 1500 CG MET A 94 -5.448 -5.838 8.677 1.00 42.01 C ATOM 1501 SD MET A 94 -5.780 -5.434 10.414 1.00 44.10 S ATOM 1502 CE MET A 94 -7.204 -4.343 10.312 1.00 3.24 C ATOM 0 H MET A 94 -6.011 -5.007 6.058 1.00 53.10 H new ATOM 0 HA MET A 94 -5.469 -7.734 6.617 1.00 14.40 H new ATOM 0 HB2 MET A 94 -7.465 -5.822 7.900 1.00 14.13 H new ATOM 0 HB3 MET A 94 -6.973 -7.366 8.568 1.00 14.13 H new ATOM 0 HG2 MET A 94 -4.576 -6.490 8.625 1.00 42.01 H new ATOM 0 HG3 MET A 94 -5.194 -4.923 8.142 1.00 42.01 H new ATOM 0 HE1 MET A 94 -7.022 -3.450 10.911 1.00 3.24 H new ATOM 0 HE2 MET A 94 -7.369 -4.056 9.273 1.00 3.24 H new ATOM 0 HE3 MET A 94 -8.086 -4.860 10.690 1.00 3.24 H new ATOM 1512 N ASP A 95 -8.443 -7.100 5.268 1.00 34.35 N ATOM 1513 CA ASP A 95 -9.577 -7.713 4.522 1.00 22.51 C ATOM 1514 C ASP A 95 -9.086 -8.564 3.325 1.00 24.11 C ATOM 1515 O ASP A 95 -9.587 -9.675 3.098 1.00 34.02 O ATOM 1516 CB ASP A 95 -10.541 -6.604 4.020 1.00 2.21 C ATOM 1517 CG ASP A 95 -11.795 -7.142 3.307 1.00 64.24 C ATOM 1518 OD1 ASP A 95 -12.750 -7.559 4.004 1.00 13.31 O ATOM 1519 OD2 ASP A 95 -11.841 -7.142 2.054 1.00 13.52 O ATOM 0 H ASP A 95 -8.445 -6.080 5.247 1.00 34.35 H new ATOM 0 HA ASP A 95 -10.104 -8.377 5.208 1.00 22.51 H new ATOM 0 HB2 ASP A 95 -10.851 -5.995 4.869 1.00 2.21 H new ATOM 0 HB3 ASP A 95 -10.000 -5.948 3.337 1.00 2.21 H new ATOM 1524 N PHE A 96 -8.112 -8.016 2.581 1.00 12.42 N ATOM 1525 CA PHE A 96 -7.520 -8.649 1.379 1.00 55.34 C ATOM 1526 C PHE A 96 -6.937 -10.045 1.704 1.00 35.13 C ATOM 1527 O PHE A 96 -7.251 -11.038 1.035 1.00 10.34 O ATOM 1528 CB PHE A 96 -6.419 -7.707 0.807 1.00 1.32 C ATOM 1529 CG PHE A 96 -5.672 -8.236 -0.420 1.00 33.33 C ATOM 1530 CD1 PHE A 96 -6.189 -8.048 -1.695 1.00 50.22 C ATOM 1531 CD2 PHE A 96 -4.454 -8.912 -0.298 1.00 34.11 C ATOM 1532 CE1 PHE A 96 -5.521 -8.517 -2.805 1.00 34.22 C ATOM 1533 CE2 PHE A 96 -3.790 -9.381 -1.409 1.00 21.03 C ATOM 1534 CZ PHE A 96 -4.324 -9.182 -2.663 1.00 13.21 C ATOM 0 H PHE A 96 -7.703 -7.107 2.796 1.00 12.42 H new ATOM 0 HA PHE A 96 -8.301 -8.797 0.633 1.00 55.34 H new ATOM 0 HB2 PHE A 96 -6.880 -6.754 0.547 1.00 1.32 H new ATOM 0 HB3 PHE A 96 -5.693 -7.506 1.594 1.00 1.32 H new ATOM 0 HD1 PHE A 96 -7.127 -7.527 -1.818 1.00 50.22 H new ATOM 0 HD2 PHE A 96 -4.028 -9.068 0.682 1.00 34.11 H new ATOM 0 HE1 PHE A 96 -5.938 -8.362 -3.789 1.00 34.22 H new ATOM 0 HE2 PHE A 96 -2.852 -9.904 -1.298 1.00 21.03 H new ATOM 0 HZ PHE A 96 -3.803 -9.548 -3.536 1.00 13.21 H new ATOM 1544 N PHE A 97 -6.097 -10.090 2.752 1.00 23.11 N ATOM 1545 CA PHE A 97 -5.414 -11.325 3.186 1.00 71.31 C ATOM 1546 C PHE A 97 -6.375 -12.276 3.943 1.00 45.13 C ATOM 1547 O PHE A 97 -6.185 -13.501 3.915 1.00 62.21 O ATOM 1548 CB PHE A 97 -4.167 -10.989 4.044 1.00 25.23 C ATOM 1549 CG PHE A 97 -2.993 -10.391 3.251 1.00 65.20 C ATOM 1550 CD1 PHE A 97 -2.867 -9.016 3.064 1.00 32.05 C ATOM 1551 CD2 PHE A 97 -2.009 -11.215 2.700 1.00 23.24 C ATOM 1552 CE1 PHE A 97 -1.802 -8.485 2.358 1.00 11.20 C ATOM 1553 CE2 PHE A 97 -0.946 -10.682 1.994 1.00 32.34 C ATOM 1554 CZ PHE A 97 -0.845 -9.317 1.826 1.00 72.12 C ATOM 0 H PHE A 97 -5.871 -9.275 3.322 1.00 23.11 H new ATOM 0 HA PHE A 97 -5.081 -11.851 2.291 1.00 71.31 H new ATOM 0 HB2 PHE A 97 -4.457 -10.287 4.825 1.00 25.23 H new ATOM 0 HB3 PHE A 97 -3.828 -11.897 4.542 1.00 25.23 H new ATOM 0 HD1 PHE A 97 -3.613 -8.353 3.477 1.00 32.05 H new ATOM 0 HD2 PHE A 97 -2.079 -12.285 2.827 1.00 23.24 H new ATOM 0 HE1 PHE A 97 -1.722 -7.416 2.225 1.00 11.20 H new ATOM 0 HE2 PHE A 97 -0.195 -11.335 1.574 1.00 32.34 H new ATOM 0 HZ PHE A 97 -0.014 -8.901 1.276 1.00 72.12 H new ATOM 1564 N ALA A 98 -7.407 -11.709 4.609 1.00 1.42 N ATOM 1565 CA ALA A 98 -8.458 -12.507 5.291 1.00 52.13 C ATOM 1566 C ALA A 98 -9.359 -13.236 4.273 1.00 21.22 C ATOM 1567 O ALA A 98 -9.923 -14.300 4.571 1.00 52.43 O ATOM 1568 CB ALA A 98 -9.303 -11.620 6.219 1.00 61.33 C ATOM 0 H ALA A 98 -7.536 -10.700 4.690 1.00 1.42 H new ATOM 0 HA ALA A 98 -7.957 -13.262 5.897 1.00 52.13 H new ATOM 0 HB1 ALA A 98 -10.066 -12.227 6.707 1.00 61.33 H new ATOM 0 HB2 ALA A 98 -8.660 -11.168 6.975 1.00 61.33 H new ATOM 0 HB3 ALA A 98 -9.783 -10.835 5.634 1.00 61.33 H new ATOM 1574 N SER A 99 -9.495 -12.635 3.077 1.00 33.32 N ATOM 1575 CA SER A 99 -10.206 -13.240 1.938 1.00 63.01 C ATOM 1576 C SER A 99 -9.279 -14.235 1.203 1.00 11.30 C ATOM 1577 O SER A 99 -9.751 -15.178 0.549 1.00 1.11 O ATOM 1578 CB SER A 99 -10.702 -12.131 0.982 1.00 30.15 C ATOM 1579 OG SER A 99 -11.601 -12.639 0.017 1.00 24.33 O ATOM 0 H SER A 99 -9.113 -11.712 2.873 1.00 33.32 H new ATOM 0 HA SER A 99 -11.073 -13.791 2.303 1.00 63.01 H new ATOM 0 HB2 SER A 99 -11.191 -11.346 1.558 1.00 30.15 H new ATOM 0 HB3 SER A 99 -9.849 -11.674 0.480 1.00 30.15 H new ATOM 0 HG SER A 99 -11.896 -11.912 -0.570 1.00 24.33 H new ATOM 1585 N GLY A 100 -7.958 -14.010 1.337 1.00 53.43 N ATOM 1586 CA GLY A 100 -6.938 -14.892 0.768 1.00 22.33 C ATOM 1587 C GLY A 100 -6.762 -14.701 -0.728 1.00 10.41 C ATOM 1588 O GLY A 100 -6.685 -15.672 -1.485 1.00 41.43 O ATOM 0 H GLY A 100 -7.575 -13.211 1.843 1.00 53.43 H new ATOM 0 HA2 GLY A 100 -5.987 -14.709 1.267 1.00 22.33 H new ATOM 0 HA3 GLY A 100 -7.208 -15.929 0.968 1.00 22.33 H new ATOM 1592 N LEU A 101 -6.702 -13.431 -1.143 1.00 20.14 N ATOM 1593 CA LEU A 101 -6.529 -13.045 -2.554 1.00 74.43 C ATOM 1594 C LEU A 101 -5.030 -13.058 -2.944 1.00 1.53 C ATOM 1595 O LEU A 101 -4.179 -12.794 -2.088 1.00 1.10 O ATOM 1596 CB LEU A 101 -7.144 -11.644 -2.778 1.00 13.35 C ATOM 1597 CG LEU A 101 -8.688 -11.536 -2.594 1.00 15.23 C ATOM 1598 CD1 LEU A 101 -9.161 -10.072 -2.682 1.00 62.54 C ATOM 1599 CD2 LEU A 101 -9.425 -12.432 -3.613 1.00 10.33 C ATOM 0 H LEU A 101 -6.772 -12.635 -0.509 1.00 20.14 H new ATOM 0 HA LEU A 101 -7.042 -13.766 -3.190 1.00 74.43 H new ATOM 0 HB2 LEU A 101 -6.667 -10.946 -2.090 1.00 13.35 H new ATOM 0 HB3 LEU A 101 -6.895 -11.317 -3.788 1.00 13.35 H new ATOM 0 HG LEU A 101 -8.935 -11.895 -1.595 1.00 15.23 H new ATOM 0 HD11 LEU A 101 -10.242 -10.030 -2.550 1.00 62.54 H new ATOM 0 HD12 LEU A 101 -8.677 -9.486 -1.901 1.00 62.54 H new ATOM 0 HD13 LEU A 101 -8.899 -9.663 -3.658 1.00 62.54 H new ATOM 0 HD21 LEU A 101 -10.501 -12.341 -3.466 1.00 10.33 H new ATOM 0 HD22 LEU A 101 -9.169 -12.119 -4.625 1.00 10.33 H new ATOM 0 HD23 LEU A 101 -9.126 -13.470 -3.468 1.00 10.33 H new ATOM 1611 N PRO A 102 -4.678 -13.377 -4.239 1.00 55.14 N ATOM 1612 CA PRO A 102 -3.276 -13.297 -4.727 1.00 20.02 C ATOM 1613 C PRO A 102 -2.781 -11.835 -4.740 1.00 34.02 C ATOM 1614 O PRO A 102 -3.460 -10.959 -5.277 1.00 10.43 O ATOM 1615 CB PRO A 102 -3.351 -13.895 -6.159 1.00 21.22 C ATOM 1616 CG PRO A 102 -4.779 -13.691 -6.576 1.00 41.02 C ATOM 1617 CD PRO A 102 -5.602 -13.841 -5.313 1.00 61.55 C ATOM 0 HA PRO A 102 -2.569 -13.833 -4.093 1.00 20.02 H new ATOM 0 HB2 PRO A 102 -2.663 -13.390 -6.837 1.00 21.22 H new ATOM 0 HB3 PRO A 102 -3.083 -14.952 -6.163 1.00 21.22 H new ATOM 0 HG2 PRO A 102 -4.920 -12.706 -7.020 1.00 41.02 H new ATOM 0 HG3 PRO A 102 -5.076 -14.424 -7.326 1.00 41.02 H new ATOM 0 HD2 PRO A 102 -6.509 -13.238 -5.351 1.00 61.55 H new ATOM 0 HD3 PRO A 102 -5.913 -14.874 -5.157 1.00 61.55 H new ATOM 1625 N LEU A 103 -1.613 -11.596 -4.117 1.00 3.41 N ATOM 1626 CA LEU A 103 -1.023 -10.250 -3.948 1.00 13.01 C ATOM 1627 C LEU A 103 -0.836 -9.570 -5.317 1.00 30.10 C ATOM 1628 O LEU A 103 -1.252 -8.428 -5.519 1.00 21.14 O ATOM 1629 CB LEU A 103 0.331 -10.379 -3.173 1.00 32.41 C ATOM 1630 CG LEU A 103 0.896 -9.106 -2.453 1.00 25.43 C ATOM 1631 CD1 LEU A 103 1.547 -8.091 -3.412 1.00 33.43 C ATOM 1632 CD2 LEU A 103 -0.184 -8.439 -1.584 1.00 43.35 C ATOM 0 H LEU A 103 -1.044 -12.339 -3.711 1.00 3.41 H new ATOM 0 HA LEU A 103 -1.696 -9.620 -3.366 1.00 13.01 H new ATOM 0 HB2 LEU A 103 0.212 -11.161 -2.423 1.00 32.41 H new ATOM 0 HB3 LEU A 103 1.087 -10.726 -3.878 1.00 32.41 H new ATOM 0 HG LEU A 103 1.699 -9.458 -1.805 1.00 25.43 H new ATOM 0 HD11 LEU A 103 1.915 -7.237 -2.843 1.00 33.43 H new ATOM 0 HD12 LEU A 103 2.379 -8.565 -3.934 1.00 33.43 H new ATOM 0 HD13 LEU A 103 0.809 -7.752 -4.139 1.00 33.43 H new ATOM 0 HD21 LEU A 103 0.234 -7.559 -1.096 1.00 43.35 H new ATOM 0 HD22 LEU A 103 -1.024 -8.141 -2.212 1.00 43.35 H new ATOM 0 HD23 LEU A 103 -0.529 -9.144 -0.827 1.00 43.35 H new ATOM 1644 N VAL A 104 -0.230 -10.323 -6.244 1.00 61.41 N ATOM 1645 CA VAL A 104 0.026 -9.908 -7.629 1.00 10.23 C ATOM 1646 C VAL A 104 -0.451 -11.040 -8.568 1.00 53.35 C ATOM 1647 O VAL A 104 0.120 -12.140 -8.557 1.00 54.41 O ATOM 1648 CB VAL A 104 1.560 -9.603 -7.857 1.00 62.24 C ATOM 1649 CG1 VAL A 104 1.873 -9.373 -9.344 1.00 43.10 C ATOM 1650 CG2 VAL A 104 2.032 -8.391 -7.016 1.00 71.25 C ATOM 0 H VAL A 104 0.105 -11.265 -6.045 1.00 61.41 H new ATOM 0 HA VAL A 104 -0.519 -8.989 -7.843 1.00 10.23 H new ATOM 0 HB VAL A 104 2.110 -10.483 -7.523 1.00 62.24 H new ATOM 0 HG11 VAL A 104 2.936 -9.166 -9.464 1.00 43.10 H new ATOM 0 HG12 VAL A 104 1.610 -10.265 -9.913 1.00 43.10 H new ATOM 0 HG13 VAL A 104 1.295 -8.525 -9.711 1.00 43.10 H new ATOM 0 HG21 VAL A 104 3.091 -8.212 -7.199 1.00 71.25 H new ATOM 0 HG22 VAL A 104 1.460 -7.507 -7.299 1.00 71.25 H new ATOM 0 HG23 VAL A 104 1.877 -8.600 -5.958 1.00 71.25 H new ATOM 1660 N THR A 105 -1.508 -10.764 -9.361 1.00 30.52 N ATOM 1661 CA THR A 105 -2.080 -11.732 -10.323 1.00 32.34 C ATOM 1662 C THR A 105 -1.125 -11.974 -11.518 1.00 2.14 C ATOM 1663 O THR A 105 -0.994 -13.105 -12.000 1.00 30.24 O ATOM 1664 CB THR A 105 -3.478 -11.247 -10.844 1.00 42.30 C ATOM 1665 OG1 THR A 105 -3.375 -9.905 -11.357 1.00 12.12 O ATOM 1666 CG2 THR A 105 -4.550 -11.292 -9.739 1.00 70.35 C ATOM 0 H THR A 105 -1.989 -9.865 -9.353 1.00 30.52 H new ATOM 0 HA THR A 105 -2.211 -12.675 -9.793 1.00 32.34 H new ATOM 0 HB THR A 105 -3.784 -11.927 -11.639 1.00 42.30 H new ATOM 0 HG1 THR A 105 -2.533 -9.504 -11.057 1.00 12.12 H new ATOM 0 HG21 THR A 105 -5.503 -10.948 -10.142 1.00 70.35 H new ATOM 0 HG22 THR A 105 -4.657 -12.315 -9.377 1.00 70.35 H new ATOM 0 HG23 THR A 105 -4.250 -10.645 -8.915 1.00 70.35 H new