USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 155:sc= -0.119 (180deg=-0.748) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -118:sc= 0.42 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.611 K(o=-0.61,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 MET CE :methyl -130:sc= -0.0172 (180deg=-1.53!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= -0.273 USER MOD Single : A 46 THR OG1 : rot -43:sc= 1.12 USER MOD Single : A 56 THR OG1 : rot -84:sc= -0.63 USER MOD Single : A 59 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.8) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.39) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 19:sc= 0.412! USER MOD Single : A 77 SER OG : rot 180:sc= -0.621 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -128:sc= 0 (180deg=-0.643) USER MOD Single : A 86 THR OG1 : rot 91:sc= -0.467 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.753 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 108 ASN : amide:sc= -0.558 K(o=-0.56,f=-1.2!) USER MOD Single : A 109 MET CE :methyl -116:sc= 0 (180deg=-1.83!) USER MOD Single : A 110 TYR OH : rot 165:sc= 0 USER MOD Single : A 111 SER OG : rot -88:sc= 0.669 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 7.591 11.390 0.791 1.00 64.25 N ATOM 93 CA ARG A 7 8.451 10.918 1.869 1.00 20.13 C ATOM 94 C ARG A 7 7.922 9.612 2.454 1.00 33.24 C ATOM 95 O ARG A 7 8.680 8.668 2.677 1.00 33.34 O ATOM 96 CB ARG A 7 8.554 11.977 2.969 1.00 71.25 C ATOM 97 CG ARG A 7 7.205 12.456 3.481 1.00 25.31 C ATOM 98 CD ARG A 7 7.357 13.629 4.437 1.00 64.23 C ATOM 99 NE ARG A 7 6.979 13.275 5.802 1.00 25.23 N ATOM 100 CZ ARG A 7 5.726 13.059 6.185 1.00 10.35 C ATOM 101 NH1 ARG A 7 4.735 13.161 5.310 1.00 20.25 N ATOM 102 NH2 ARG A 7 5.462 12.741 7.446 1.00 13.03 N ATOM 0 HA ARG A 7 9.443 10.736 1.455 1.00 20.13 H new ATOM 0 HB2 ARG A 7 9.125 11.569 3.803 1.00 71.25 H new ATOM 0 HB3 ARG A 7 9.113 12.832 2.588 1.00 71.25 H new ATOM 0 HG2 ARG A 7 6.579 12.750 2.639 1.00 25.31 H new ATOM 0 HG3 ARG A 7 6.695 11.636 3.987 1.00 25.31 H new ATOM 0 HD2 ARG A 7 8.391 13.975 4.425 1.00 64.23 H new ATOM 0 HD3 ARG A 7 6.739 14.459 4.094 1.00 64.23 H new ATOM 0 HE ARG A 7 7.718 13.189 6.500 1.00 25.23 H new ATOM 0 HH11 ARG A 7 4.934 13.406 4.340 1.00 20.25 H new ATOM 0 HH12 ARG A 7 3.773 12.995 5.607 1.00 20.25 H new ATOM 0 HH21 ARG A 7 6.222 12.662 8.122 1.00 13.03 H new ATOM 0 HH22 ARG A 7 4.499 12.575 7.739 1.00 13.03 H new ATOM 116 N ASP A 8 6.617 9.566 2.701 1.00 62.10 N ATOM 117 CA ASP A 8 5.986 8.376 3.260 1.00 60.13 C ATOM 118 C ASP A 8 6.281 7.150 2.400 1.00 14.33 C ATOM 119 O ASP A 8 6.356 6.030 2.905 1.00 52.00 O ATOM 120 CB ASP A 8 4.475 8.581 3.376 1.00 11.14 C ATOM 121 CG ASP A 8 4.063 9.080 4.747 1.00 14.32 C ATOM 122 OD1 ASP A 8 4.812 9.889 5.335 1.00 60.42 O ATOM 123 OD2 ASP A 8 2.990 8.664 5.232 1.00 21.40 O ATOM 0 H ASP A 8 5.976 10.339 2.523 1.00 62.10 H new ATOM 0 HA ASP A 8 6.399 8.208 4.254 1.00 60.13 H new ATOM 0 HB2 ASP A 8 4.149 9.295 2.619 1.00 11.14 H new ATOM 0 HB3 ASP A 8 3.966 7.640 3.167 1.00 11.14 H new ATOM 128 N TRP A 9 6.445 7.371 1.101 1.00 1.12 N ATOM 129 CA TRP A 9 6.730 6.284 0.171 1.00 2.05 C ATOM 130 C TRP A 9 8.168 5.799 0.325 1.00 53.51 C ATOM 131 O TRP A 9 8.419 4.601 0.453 1.00 44.12 O ATOM 132 CB TRP A 9 6.483 6.738 -1.268 1.00 10.51 C ATOM 133 CG TRP A 9 6.740 5.665 -2.282 1.00 55.11 C ATOM 134 CD1 TRP A 9 7.956 5.216 -2.710 1.00 41.13 C ATOM 135 CD2 TRP A 9 5.756 4.908 -2.996 1.00 22.01 C ATOM 136 NE1 TRP A 9 7.788 4.225 -3.648 1.00 3.44 N ATOM 137 CE2 TRP A 9 6.448 4.017 -3.840 1.00 1.23 C ATOM 138 CE3 TRP A 9 4.359 4.894 -3.003 1.00 51.21 C ATOM 139 CZ2 TRP A 9 5.789 3.125 -4.681 1.00 15.11 C ATOM 140 CZ3 TRP A 9 3.706 4.008 -3.839 1.00 13.42 C ATOM 141 CH2 TRP A 9 4.420 3.133 -4.668 1.00 2.34 C ATOM 0 H TRP A 9 6.386 8.292 0.668 1.00 1.12 H new ATOM 0 HA TRP A 9 6.060 5.456 0.403 1.00 2.05 H new ATOM 0 HB2 TRP A 9 5.451 7.077 -1.362 1.00 10.51 H new ATOM 0 HB3 TRP A 9 7.121 7.594 -1.486 1.00 10.51 H new ATOM 0 HD1 TRP A 9 8.910 5.585 -2.363 1.00 41.13 H new ATOM 0 HE1 TRP A 9 8.539 3.726 -4.124 1.00 3.44 H new ATOM 0 HE3 TRP A 9 3.799 5.563 -2.367 1.00 51.21 H new ATOM 0 HZ2 TRP A 9 6.338 2.450 -5.321 1.00 15.11 H new ATOM 0 HZ3 TRP A 9 2.626 3.990 -3.853 1.00 13.42 H new ATOM 0 HH2 TRP A 9 3.880 2.452 -5.309 1.00 2.34 H new ATOM 152 N LYS A 10 9.108 6.738 0.312 1.00 64.24 N ATOM 153 CA LYS A 10 10.522 6.407 0.451 1.00 54.02 C ATOM 154 C LYS A 10 10.782 5.673 1.762 1.00 1.45 C ATOM 155 O LYS A 10 11.424 4.624 1.780 1.00 22.23 O ATOM 156 CB LYS A 10 11.373 7.677 0.387 1.00 55.40 C ATOM 157 CG LYS A 10 12.731 7.468 -0.258 1.00 63.45 C ATOM 158 CD LYS A 10 13.739 8.502 0.214 1.00 20.24 C ATOM 159 CE LYS A 10 14.820 7.872 1.080 1.00 14.11 C ATOM 160 NZ LYS A 10 14.315 7.536 2.440 1.00 10.33 N ATOM 0 H LYS A 10 8.917 7.734 0.207 1.00 64.24 H new ATOM 0 HA LYS A 10 10.799 5.750 -0.374 1.00 54.02 H new ATOM 0 HB2 LYS A 10 10.830 8.441 -0.170 1.00 55.40 H new ATOM 0 HB3 LYS A 10 11.515 8.060 1.398 1.00 55.40 H new ATOM 0 HG2 LYS A 10 13.097 6.469 -0.022 1.00 63.45 H new ATOM 0 HG3 LYS A 10 12.632 7.524 -1.342 1.00 63.45 H new ATOM 0 HD2 LYS A 10 14.198 8.985 -0.649 1.00 20.24 H new ATOM 0 HD3 LYS A 10 13.226 9.280 0.779 1.00 20.24 H new ATOM 0 HE2 LYS A 10 15.192 6.968 0.597 1.00 14.11 H new ATOM 0 HE3 LYS A 10 15.663 8.558 1.165 1.00 14.11 H new ATOM 0 HZ1 LYS A 10 15.081 7.109 2.999 1.00 10.33 H new ATOM 0 HZ2 LYS A 10 13.984 8.402 2.911 1.00 10.33 H new ATOM 0 HZ3 LYS A 10 13.527 6.862 2.361 1.00 10.33 H new ATOM 174 N MET A 11 10.278 6.232 2.858 1.00 42.30 N ATOM 175 CA MET A 11 10.455 5.629 4.174 1.00 72.33 C ATOM 176 C MET A 11 9.731 4.289 4.259 1.00 60.34 C ATOM 177 O MET A 11 10.196 3.363 4.922 1.00 30.35 O ATOM 178 CB MET A 11 9.939 6.570 5.264 1.00 52.23 C ATOM 179 CG MET A 11 8.427 6.728 5.265 1.00 70.12 C ATOM 180 SD MET A 11 7.840 7.783 6.604 1.00 33.31 S ATOM 181 CE MET A 11 8.720 9.302 6.250 1.00 64.42 C ATOM 0 H MET A 11 9.744 7.101 2.861 1.00 42.30 H new ATOM 0 HA MET A 11 11.520 5.458 4.327 1.00 72.33 H new ATOM 0 HB2 MET A 11 10.258 6.195 6.237 1.00 52.23 H new ATOM 0 HB3 MET A 11 10.398 7.550 5.134 1.00 52.23 H new ATOM 0 HG2 MET A 11 8.109 7.148 4.311 1.00 70.12 H new ATOM 0 HG3 MET A 11 7.963 5.746 5.352 1.00 70.12 H new ATOM 0 HE1 MET A 11 8.172 10.146 6.669 1.00 64.42 H new ATOM 0 HE2 MET A 11 9.714 9.259 6.695 1.00 64.42 H new ATOM 0 HE3 MET A 11 8.810 9.427 5.171 1.00 64.42 H new ATOM 191 N ALA A 12 8.591 4.193 3.583 1.00 52.15 N ATOM 192 CA ALA A 12 7.804 2.966 3.581 1.00 64.23 C ATOM 193 C ALA A 12 8.627 1.787 3.072 1.00 5.21 C ATOM 194 O ALA A 12 8.643 0.719 3.684 1.00 34.21 O ATOM 195 CB ALA A 12 6.553 3.142 2.734 1.00 53.41 C ATOM 0 H ALA A 12 8.192 4.951 3.029 1.00 52.15 H new ATOM 0 HA ALA A 12 7.507 2.753 4.608 1.00 64.23 H new ATOM 0 HB1 ALA A 12 5.975 2.218 2.742 1.00 53.41 H new ATOM 0 HB2 ALA A 12 5.948 3.952 3.142 1.00 53.41 H new ATOM 0 HB3 ALA A 12 6.838 3.383 1.710 1.00 53.41 H new ATOM 201 N ILE A 13 9.310 1.988 1.950 1.00 53.42 N ATOM 202 CA ILE A 13 10.135 0.942 1.360 1.00 21.31 C ATOM 203 C ILE A 13 11.475 0.828 2.079 1.00 61.20 C ATOM 204 O ILE A 13 12.087 -0.240 2.109 1.00 4.14 O ATOM 205 CB ILE A 13 10.389 1.201 -0.137 1.00 13.13 C ATOM 206 CG1 ILE A 13 9.062 1.272 -0.896 1.00 64.23 C ATOM 207 CG2 ILE A 13 11.281 0.115 -0.719 1.00 4.24 C ATOM 208 CD1 ILE A 13 9.228 1.522 -2.379 1.00 12.42 C ATOM 0 H ILE A 13 9.308 2.866 1.431 1.00 53.42 H new ATOM 0 HA ILE A 13 9.585 0.007 1.470 1.00 21.31 H new ATOM 0 HB ILE A 13 10.899 2.158 -0.244 1.00 13.13 H new ATOM 0 HG12 ILE A 13 8.519 0.338 -0.752 1.00 64.23 H new ATOM 0 HG13 ILE A 13 8.450 2.066 -0.468 1.00 64.23 H new ATOM 0 HG21 ILE A 13 11.451 0.312 -1.777 1.00 4.24 H new ATOM 0 HG22 ILE A 13 12.236 0.108 -0.193 1.00 4.24 H new ATOM 0 HG23 ILE A 13 10.796 -0.854 -0.604 1.00 4.24 H new ATOM 0 HD11 ILE A 13 8.247 1.560 -2.854 1.00 12.42 H new ATOM 0 HD12 ILE A 13 9.743 2.470 -2.533 1.00 12.42 H new ATOM 0 HD13 ILE A 13 9.814 0.716 -2.821 1.00 12.42 H new ATOM 220 N LYS A 14 11.925 1.935 2.659 1.00 42.42 N ATOM 221 CA LYS A 14 13.191 1.961 3.381 1.00 4.13 C ATOM 222 C LYS A 14 13.202 0.922 4.498 1.00 70.23 C ATOM 223 O LYS A 14 14.161 0.163 4.643 1.00 12.44 O ATOM 224 CB LYS A 14 13.441 3.354 3.964 1.00 24.22 C ATOM 225 CG LYS A 14 14.690 3.437 4.826 1.00 55.52 C ATOM 226 CD LYS A 14 15.468 4.715 4.558 1.00 73.34 C ATOM 227 CE LYS A 14 16.949 4.537 4.852 1.00 63.11 C ATOM 228 NZ LYS A 14 17.695 4.037 3.664 1.00 52.03 N ATOM 0 H LYS A 14 11.431 2.827 2.643 1.00 42.42 H new ATOM 0 HA LYS A 14 13.987 1.720 2.676 1.00 4.13 H new ATOM 0 HB2 LYS A 14 13.525 4.071 3.147 1.00 24.22 H new ATOM 0 HB3 LYS A 14 12.578 3.650 4.560 1.00 24.22 H new ATOM 0 HG2 LYS A 14 14.410 3.394 5.879 1.00 55.52 H new ATOM 0 HG3 LYS A 14 15.327 2.574 4.630 1.00 55.52 H new ATOM 0 HD2 LYS A 14 15.336 5.012 3.518 1.00 73.34 H new ATOM 0 HD3 LYS A 14 15.068 5.521 5.173 1.00 73.34 H new ATOM 0 HE2 LYS A 14 17.372 5.489 5.172 1.00 63.11 H new ATOM 0 HE3 LYS A 14 17.073 3.838 5.679 1.00 63.11 H new ATOM 0 HZ1 LYS A 14 18.701 3.929 3.906 1.00 52.03 H new ATOM 0 HZ2 LYS A 14 17.308 3.116 3.373 1.00 52.03 H new ATOM 0 HZ3 LYS A 14 17.598 4.716 2.882 1.00 52.03 H new ATOM 242 N ARG A 15 12.130 0.892 5.282 1.00 34.31 N ATOM 243 CA ARG A 15 12.016 -0.055 6.385 1.00 21.10 C ATOM 244 C ARG A 15 11.457 -1.390 5.900 1.00 2.35 C ATOM 245 O ARG A 15 11.850 -2.451 6.386 1.00 62.45 O ATOM 246 CB ARG A 15 11.120 0.516 7.485 1.00 12.13 C ATOM 247 CG ARG A 15 11.750 1.671 8.247 1.00 65.45 C ATOM 248 CD ARG A 15 10.928 2.047 9.469 1.00 25.23 C ATOM 249 NE ARG A 15 11.519 3.162 10.204 1.00 24.12 N ATOM 250 CZ ARG A 15 11.050 3.609 11.364 1.00 64.31 C ATOM 251 NH1 ARG A 15 9.990 3.038 11.918 1.00 73.20 N ATOM 252 NH2 ARG A 15 11.643 4.628 11.972 1.00 11.41 N ATOM 0 H ARG A 15 11.328 1.512 5.174 1.00 34.31 H new ATOM 0 HA ARG A 15 13.014 -0.224 6.790 1.00 21.10 H new ATOM 0 HB2 ARG A 15 10.184 0.853 7.040 1.00 12.13 H new ATOM 0 HB3 ARG A 15 10.871 -0.279 8.188 1.00 12.13 H new ATOM 0 HG2 ARG A 15 12.759 1.397 8.556 1.00 65.45 H new ATOM 0 HG3 ARG A 15 11.842 2.535 7.589 1.00 65.45 H new ATOM 0 HD2 ARG A 15 9.917 2.313 9.158 1.00 25.23 H new ATOM 0 HD3 ARG A 15 10.842 1.183 10.128 1.00 25.23 H new ATOM 0 HE ARG A 15 12.337 3.623 9.805 1.00 24.12 H new ATOM 0 HH11 ARG A 15 9.532 2.253 11.454 1.00 73.20 H new ATOM 0 HH12 ARG A 15 9.632 3.383 12.809 1.00 73.20 H new ATOM 0 HH21 ARG A 15 12.460 5.069 11.549 1.00 11.41 H new ATOM 0 HH22 ARG A 15 11.282 4.971 12.862 1.00 11.41 H new ATOM 266 N CYS A 16 10.539 -1.328 4.943 1.00 40.34 N ATOM 267 CA CYS A 16 9.925 -2.531 4.393 1.00 32.32 C ATOM 268 C CYS A 16 10.970 -3.418 3.724 1.00 32.22 C ATOM 269 O CYS A 16 10.746 -4.611 3.518 1.00 40.23 O ATOM 270 CB CYS A 16 8.835 -2.159 3.387 1.00 12.11 C ATOM 271 SG CYS A 16 7.932 -3.576 2.718 1.00 4.22 S ATOM 0 H CYS A 16 10.203 -0.457 4.531 1.00 40.34 H new ATOM 0 HA CYS A 16 9.475 -3.087 5.215 1.00 32.32 H new ATOM 0 HB2 CYS A 16 8.127 -1.485 3.868 1.00 12.11 H new ATOM 0 HB3 CYS A 16 9.289 -1.609 2.563 1.00 12.11 H new ATOM 0 HG CYS A 16 8.114 -3.639 1.432 1.00 4.22 H new ATOM 277 N SER A 17 12.111 -2.827 3.386 1.00 4.03 N ATOM 278 CA SER A 17 13.189 -3.562 2.735 1.00 24.03 C ATOM 279 C SER A 17 13.542 -4.821 3.523 1.00 54.54 C ATOM 280 O SER A 17 13.982 -5.818 2.954 1.00 61.51 O ATOM 281 CB SER A 17 14.427 -2.674 2.592 1.00 53.34 C ATOM 282 OG SER A 17 15.431 -3.318 1.827 1.00 0.12 O ATOM 0 H SER A 17 12.313 -1.841 3.552 1.00 4.03 H new ATOM 0 HA SER A 17 12.846 -3.858 1.744 1.00 24.03 H new ATOM 0 HB2 SER A 17 14.150 -1.733 2.116 1.00 53.34 H new ATOM 0 HB3 SER A 17 14.819 -2.429 3.579 1.00 53.34 H new ATOM 0 HG SER A 17 16.211 -2.729 1.749 1.00 0.12 H new ATOM 288 N ASN A 18 13.344 -4.764 4.836 1.00 73.23 N ATOM 289 CA ASN A 18 13.641 -5.899 5.703 1.00 54.43 C ATOM 290 C ASN A 18 12.833 -7.125 5.290 1.00 73.14 C ATOM 291 O ASN A 18 13.288 -8.260 5.435 1.00 40.33 O ATOM 292 CB ASN A 18 13.342 -5.545 7.161 1.00 52.41 C ATOM 293 CG ASN A 18 14.044 -4.275 7.603 1.00 21.54 C ATOM 294 OD1 ASN A 18 13.436 -3.397 8.216 1.00 70.44 O ATOM 295 ND2 ASN A 18 15.332 -4.173 7.294 1.00 35.42 N ATOM 0 H ASN A 18 12.980 -3.945 5.323 1.00 73.23 H new ATOM 0 HA ASN A 18 14.701 -6.134 5.603 1.00 54.43 H new ATOM 0 HB2 ASN A 18 12.266 -5.426 7.290 1.00 52.41 H new ATOM 0 HB3 ASN A 18 13.651 -6.370 7.803 1.00 52.41 H new ATOM 0 HD21 ASN A 18 15.857 -3.342 7.566 1.00 35.42 H new ATOM 0 HD22 ASN A 18 15.795 -4.926 6.785 1.00 35.42 H new ATOM 302 N VAL A 19 11.631 -6.889 4.773 1.00 13.15 N ATOM 303 CA VAL A 19 10.759 -7.973 4.337 1.00 23.54 C ATOM 304 C VAL A 19 11.491 -8.920 3.392 1.00 12.21 C ATOM 305 O VAL A 19 12.145 -8.484 2.445 1.00 22.53 O ATOM 306 CB VAL A 19 9.501 -7.433 3.633 1.00 75.41 C ATOM 307 CG1 VAL A 19 8.630 -8.580 3.141 1.00 3.12 C ATOM 308 CG2 VAL A 19 8.718 -6.522 4.566 1.00 42.40 C ATOM 0 H VAL A 19 11.239 -5.956 4.646 1.00 13.15 H new ATOM 0 HA VAL A 19 10.459 -8.518 5.232 1.00 23.54 H new ATOM 0 HB VAL A 19 9.813 -6.848 2.768 1.00 75.41 H new ATOM 0 HG11 VAL A 19 7.746 -8.179 2.646 1.00 3.12 H new ATOM 0 HG12 VAL A 19 9.195 -9.190 2.436 1.00 3.12 H new ATOM 0 HG13 VAL A 19 8.325 -9.194 3.988 1.00 3.12 H new ATOM 0 HG21 VAL A 19 7.832 -6.149 4.052 1.00 42.40 H new ATOM 0 HG22 VAL A 19 8.415 -7.081 5.451 1.00 42.40 H new ATOM 0 HG23 VAL A 19 9.345 -5.682 4.864 1.00 42.40 H new ATOM 318 N ALA A 20 11.375 -10.217 3.656 1.00 73.23 N ATOM 319 CA ALA A 20 12.023 -11.226 2.827 1.00 32.10 C ATOM 320 C ALA A 20 10.998 -12.014 2.018 1.00 14.24 C ATOM 321 O ALA A 20 9.880 -12.250 2.477 1.00 74.25 O ATOM 322 CB ALA A 20 12.851 -12.166 3.691 1.00 44.44 C ATOM 0 H ALA A 20 10.838 -10.594 4.437 1.00 73.23 H new ATOM 0 HA ALA A 20 12.684 -10.715 2.127 1.00 32.10 H new ATOM 0 HB1 ALA A 20 13.329 -12.914 3.059 1.00 44.44 H new ATOM 0 HB2 ALA A 20 13.615 -11.596 4.220 1.00 44.44 H new ATOM 0 HB3 ALA A 20 12.203 -12.662 4.414 1.00 44.44 H new ATOM 328 N VAL A 21 11.385 -12.417 0.813 1.00 61.34 N ATOM 329 CA VAL A 21 10.500 -13.179 -0.060 1.00 15.10 C ATOM 330 C VAL A 21 10.014 -14.452 0.625 1.00 45.41 C ATOM 331 O VAL A 21 8.956 -14.983 0.293 1.00 60.34 O ATOM 332 CB VAL A 21 11.199 -13.554 -1.380 1.00 53.11 C ATOM 333 CG1 VAL A 21 10.225 -14.246 -2.322 1.00 44.33 C ATOM 334 CG2 VAL A 21 11.800 -12.319 -2.034 1.00 13.22 C ATOM 0 H VAL A 21 12.306 -12.229 0.418 1.00 61.34 H new ATOM 0 HA VAL A 21 9.645 -12.539 -0.280 1.00 15.10 H new ATOM 0 HB VAL A 21 12.008 -14.249 -1.158 1.00 53.11 H new ATOM 0 HG11 VAL A 21 10.737 -14.504 -3.249 1.00 44.33 H new ATOM 0 HG12 VAL A 21 9.847 -15.154 -1.852 1.00 44.33 H new ATOM 0 HG13 VAL A 21 9.393 -13.577 -2.541 1.00 44.33 H new ATOM 0 HG21 VAL A 21 12.290 -12.603 -2.966 1.00 13.22 H new ATOM 0 HG22 VAL A 21 11.010 -11.598 -2.244 1.00 13.22 H new ATOM 0 HG23 VAL A 21 12.531 -11.870 -1.361 1.00 13.22 H new ATOM 344 N GLY A 22 10.797 -14.936 1.585 1.00 51.21 N ATOM 345 CA GLY A 22 10.430 -16.143 2.302 1.00 3.35 C ATOM 346 C GLY A 22 10.600 -16.000 3.802 1.00 41.10 C ATOM 347 O GLY A 22 11.173 -15.020 4.279 1.00 70.02 O ATOM 0 H GLY A 22 11.678 -14.514 1.878 1.00 51.21 H new ATOM 0 HA2 GLY A 22 9.393 -16.393 2.079 1.00 3.35 H new ATOM 0 HA3 GLY A 22 11.041 -16.973 1.947 1.00 3.35 H new ATOM 351 N VAL A 23 10.100 -16.979 4.549 1.00 74.13 N ATOM 352 CA VAL A 23 10.198 -16.958 6.003 1.00 21.22 C ATOM 353 C VAL A 23 11.475 -17.643 6.477 1.00 0.04 C ATOM 354 O VAL A 23 12.057 -17.261 7.492 1.00 72.01 O ATOM 355 CB VAL A 23 8.986 -17.647 6.658 1.00 52.22 C ATOM 356 CG1 VAL A 23 7.695 -16.946 6.262 1.00 43.21 C ATOM 357 CG2 VAL A 23 8.941 -19.119 6.278 1.00 33.11 C ATOM 0 H VAL A 23 9.623 -17.797 4.171 1.00 74.13 H new ATOM 0 HA VAL A 23 10.217 -15.910 6.304 1.00 21.22 H new ATOM 0 HB VAL A 23 9.092 -17.578 7.741 1.00 52.22 H new ATOM 0 HG11 VAL A 23 6.850 -17.447 6.734 1.00 43.21 H new ATOM 0 HG12 VAL A 23 7.730 -15.907 6.589 1.00 43.21 H new ATOM 0 HG13 VAL A 23 7.579 -16.982 5.179 1.00 43.21 H new ATOM 0 HG21 VAL A 23 8.079 -19.590 6.749 1.00 33.11 H new ATOM 0 HG22 VAL A 23 8.859 -19.213 5.195 1.00 33.11 H new ATOM 0 HG23 VAL A 23 9.853 -19.610 6.617 1.00 33.11 H new ATOM 436 N LYS A 29 16.136 -10.679 0.577 1.00 53.21 N ATOM 437 CA LYS A 29 15.234 -9.570 0.866 1.00 75.34 C ATOM 438 C LYS A 29 14.726 -8.932 -0.424 1.00 33.35 C ATOM 439 O LYS A 29 15.311 -9.116 -1.491 1.00 75.12 O ATOM 440 CB LYS A 29 15.942 -8.519 1.723 1.00 41.03 C ATOM 441 CG LYS A 29 15.772 -8.737 3.216 1.00 0.33 C ATOM 442 CD LYS A 29 17.112 -8.769 3.931 1.00 24.42 C ATOM 443 CE LYS A 29 16.952 -8.549 5.428 1.00 74.15 C ATOM 444 NZ LYS A 29 18.099 -7.795 6.004 1.00 52.54 N ATOM 0 HA LYS A 29 14.380 -9.963 1.417 1.00 75.34 H new ATOM 0 HB2 LYS A 29 17.005 -8.522 1.483 1.00 41.03 H new ATOM 0 HB3 LYS A 29 15.559 -7.532 1.462 1.00 41.03 H new ATOM 0 HG2 LYS A 29 15.155 -7.941 3.633 1.00 0.33 H new ATOM 0 HG3 LYS A 29 15.243 -9.674 3.390 1.00 0.33 H new ATOM 0 HD2 LYS A 29 17.597 -9.729 3.753 1.00 24.42 H new ATOM 0 HD3 LYS A 29 17.765 -8.000 3.517 1.00 24.42 H new ATOM 0 HE2 LYS A 29 16.027 -8.004 5.618 1.00 74.15 H new ATOM 0 HE3 LYS A 29 16.863 -9.513 5.929 1.00 74.15 H new ATOM 0 HZ1 LYS A 29 17.952 -7.666 7.025 1.00 52.54 H new ATOM 0 HZ2 LYS A 29 18.979 -8.327 5.845 1.00 52.54 H new ATOM 0 HZ3 LYS A 29 18.169 -6.865 5.544 1.00 52.54 H new ATOM 458 N PHE A 30 13.635 -8.181 -0.317 1.00 12.13 N ATOM 459 CA PHE A 30 13.049 -7.515 -1.474 1.00 73.11 C ATOM 460 C PHE A 30 13.811 -6.237 -1.810 1.00 43.21 C ATOM 461 O PHE A 30 14.800 -5.901 -1.159 1.00 72.31 O ATOM 462 CB PHE A 30 11.577 -7.190 -1.211 1.00 71.11 C ATOM 463 CG PHE A 30 10.659 -8.363 -1.409 1.00 5.24 C ATOM 464 CD1 PHE A 30 10.459 -8.898 -2.671 1.00 4.11 C ATOM 465 CD2 PHE A 30 9.997 -8.930 -0.332 1.00 12.10 C ATOM 466 CE1 PHE A 30 9.616 -9.977 -2.856 1.00 61.32 C ATOM 467 CE2 PHE A 30 9.153 -10.010 -0.511 1.00 53.50 C ATOM 468 CZ PHE A 30 8.961 -10.533 -1.775 1.00 22.13 C ATOM 0 H PHE A 30 13.139 -8.018 0.559 1.00 12.13 H new ATOM 0 HA PHE A 30 13.118 -8.193 -2.325 1.00 73.11 H new ATOM 0 HB2 PHE A 30 11.471 -6.824 -0.190 1.00 71.11 H new ATOM 0 HB3 PHE A 30 11.268 -6.381 -1.873 1.00 71.11 H new ATOM 0 HD1 PHE A 30 10.968 -8.467 -3.520 1.00 4.11 H new ATOM 0 HD2 PHE A 30 10.142 -8.524 0.658 1.00 12.10 H new ATOM 0 HE1 PHE A 30 9.470 -10.385 -3.845 1.00 61.32 H new ATOM 0 HE2 PHE A 30 8.644 -10.445 0.337 1.00 53.50 H new ATOM 0 HZ PHE A 30 8.300 -11.375 -1.917 1.00 22.13 H new ATOM 478 N GLY A 31 13.344 -5.527 -2.833 1.00 32.22 N ATOM 479 CA GLY A 31 13.993 -4.294 -3.239 1.00 21.52 C ATOM 480 C GLY A 31 13.026 -3.307 -3.860 1.00 15.21 C ATOM 481 O GLY A 31 11.886 -3.655 -4.168 1.00 22.02 O ATOM 0 H GLY A 31 12.528 -5.784 -3.388 1.00 32.22 H new ATOM 0 HA2 GLY A 31 14.469 -3.835 -2.372 1.00 21.52 H new ATOM 0 HA3 GLY A 31 14.784 -4.522 -3.954 1.00 21.52 H new ATOM 485 N GLU A 32 13.480 -2.071 -4.043 1.00 13.21 N ATOM 486 CA GLU A 32 12.644 -1.030 -4.629 1.00 40.50 C ATOM 487 C GLU A 32 12.345 -1.333 -6.094 1.00 54.23 C ATOM 488 O GLU A 32 11.334 -0.889 -6.637 1.00 41.45 O ATOM 489 CB GLU A 32 13.329 0.333 -4.509 1.00 2.34 C ATOM 490 CG GLU A 32 14.513 0.504 -5.446 1.00 1.35 C ATOM 491 CD GLU A 32 15.655 1.272 -4.808 1.00 62.24 C ATOM 492 OE1 GLU A 32 16.204 0.789 -3.796 1.00 71.43 O ATOM 493 OE2 GLU A 32 16.000 2.356 -5.323 1.00 2.30 O ATOM 0 H GLU A 32 14.421 -1.766 -3.794 1.00 13.21 H new ATOM 0 HA GLU A 32 11.702 -1.005 -4.081 1.00 40.50 H new ATOM 0 HB2 GLU A 32 12.599 1.116 -4.713 1.00 2.34 H new ATOM 0 HB3 GLU A 32 13.666 0.471 -3.482 1.00 2.34 H new ATOM 0 HG2 GLU A 32 14.870 -0.478 -5.758 1.00 1.35 H new ATOM 0 HG3 GLU A 32 14.187 1.026 -6.346 1.00 1.35 H new ATOM 500 N GLY A 33 13.232 -2.093 -6.729 1.00 2.22 N ATOM 501 CA GLY A 33 13.046 -2.442 -8.125 1.00 22.20 C ATOM 502 C GLY A 33 11.842 -3.337 -8.343 1.00 50.44 C ATOM 503 O GLY A 33 10.948 -3.006 -9.121 1.00 50.11 O ATOM 0 H GLY A 33 14.076 -2.473 -6.301 1.00 2.22 H new ATOM 0 HA2 GLY A 33 12.929 -1.531 -8.712 1.00 22.20 H new ATOM 0 HA3 GLY A 33 13.940 -2.945 -8.493 1.00 22.20 H new ATOM 507 N ASN A 34 11.819 -4.474 -7.656 1.00 62.02 N ATOM 508 CA ASN A 34 10.716 -5.420 -7.781 1.00 24.32 C ATOM 509 C ASN A 34 9.421 -4.821 -7.241 1.00 45.41 C ATOM 510 O ASN A 34 8.339 -5.078 -7.768 1.00 12.12 O ATOM 511 CB ASN A 34 11.042 -6.716 -7.034 1.00 53.44 C ATOM 512 CG ASN A 34 12.013 -7.595 -7.798 1.00 53.05 C ATOM 513 OD1 ASN A 34 12.763 -7.117 -8.649 1.00 50.23 O ATOM 514 ND2 ASN A 34 12.002 -8.888 -7.497 1.00 61.34 N ATOM 0 H ASN A 34 12.551 -4.763 -7.007 1.00 62.02 H new ATOM 0 HA ASN A 34 10.579 -5.642 -8.839 1.00 24.32 H new ATOM 0 HB2 ASN A 34 11.465 -6.474 -6.059 1.00 53.44 H new ATOM 0 HB3 ASN A 34 10.121 -7.269 -6.853 1.00 53.44 H new ATOM 0 HD21 ASN A 34 12.633 -9.529 -7.978 1.00 61.34 H new ATOM 0 HD22 ASN A 34 11.363 -9.240 -6.784 1.00 61.34 H new ATOM 521 N PHE A 35 9.541 -4.019 -6.188 1.00 31.43 N ATOM 522 CA PHE A 35 8.380 -3.383 -5.576 1.00 3.11 C ATOM 523 C PHE A 35 7.634 -2.523 -6.591 1.00 55.41 C ATOM 524 O PHE A 35 6.412 -2.609 -6.715 1.00 33.43 O ATOM 525 CB PHE A 35 8.811 -2.526 -4.384 1.00 23.24 C ATOM 526 CG PHE A 35 8.660 -3.221 -3.061 1.00 3.15 C ATOM 527 CD1 PHE A 35 9.037 -4.546 -2.912 1.00 5.23 C ATOM 528 CD2 PHE A 35 8.141 -2.549 -1.966 1.00 35.22 C ATOM 529 CE1 PHE A 35 8.900 -5.188 -1.695 1.00 62.04 C ATOM 530 CE2 PHE A 35 8.001 -3.186 -0.747 1.00 43.01 C ATOM 531 CZ PHE A 35 8.380 -4.507 -0.612 1.00 64.30 C ATOM 0 H PHE A 35 10.430 -3.794 -5.741 1.00 31.43 H new ATOM 0 HA PHE A 35 7.709 -4.168 -5.227 1.00 3.11 H new ATOM 0 HB2 PHE A 35 9.853 -2.233 -4.515 1.00 23.24 H new ATOM 0 HB3 PHE A 35 8.221 -1.609 -4.373 1.00 23.24 H new ATOM 0 HD1 PHE A 35 9.443 -5.084 -3.756 1.00 5.23 H new ATOM 0 HD2 PHE A 35 7.842 -1.516 -2.066 1.00 35.22 H new ATOM 0 HE1 PHE A 35 9.199 -6.221 -1.592 1.00 62.04 H new ATOM 0 HE2 PHE A 35 7.596 -2.651 0.099 1.00 43.01 H new ATOM 0 HZ PHE A 35 8.270 -5.007 0.339 1.00 64.30 H new ATOM 541 N ARG A 36 8.377 -1.692 -7.315 1.00 21.32 N ATOM 542 CA ARG A 36 7.786 -0.815 -8.318 1.00 3.31 C ATOM 543 C ARG A 36 7.193 -1.624 -9.467 1.00 32.50 C ATOM 544 O ARG A 36 6.104 -1.321 -9.956 1.00 24.24 O ATOM 545 CB ARG A 36 8.836 0.160 -8.855 1.00 72.15 C ATOM 546 CG ARG A 36 9.475 1.021 -7.779 1.00 4.13 C ATOM 547 CD ARG A 36 9.085 2.483 -7.930 1.00 1.03 C ATOM 548 NE ARG A 36 9.968 3.193 -8.851 1.00 71.25 N ATOM 549 CZ ARG A 36 11.224 3.515 -8.565 1.00 22.14 C ATOM 550 NH1 ARG A 36 11.743 3.192 -7.388 1.00 33.11 N ATOM 551 NH2 ARG A 36 11.965 4.161 -9.456 1.00 11.20 N ATOM 0 H ARG A 36 9.390 -1.608 -7.225 1.00 21.32 H new ATOM 0 HA ARG A 36 6.984 -0.250 -7.843 1.00 3.31 H new ATOM 0 HB2 ARG A 36 9.615 -0.405 -9.367 1.00 72.15 H new ATOM 0 HB3 ARG A 36 8.371 0.808 -9.598 1.00 72.15 H new ATOM 0 HG2 ARG A 36 9.171 0.662 -6.796 1.00 4.13 H new ATOM 0 HG3 ARG A 36 10.560 0.925 -7.832 1.00 4.13 H new ATOM 0 HD2 ARG A 36 8.058 2.549 -8.289 1.00 1.03 H new ATOM 0 HD3 ARG A 36 9.113 2.968 -6.954 1.00 1.03 H new ATOM 0 HE ARG A 36 9.599 3.456 -9.765 1.00 71.25 H new ATOM 0 HH11 ARG A 36 11.177 2.695 -6.700 1.00 33.11 H new ATOM 0 HH12 ARG A 36 12.708 3.440 -7.171 1.00 33.11 H new ATOM 0 HH21 ARG A 36 11.570 4.411 -10.363 1.00 11.20 H new ATOM 0 HH22 ARG A 36 12.930 4.408 -9.234 1.00 11.20 H new ATOM 565 N TRP A 37 7.915 -2.654 -9.893 1.00 44.01 N ATOM 566 CA TRP A 37 7.460 -3.507 -10.985 1.00 64.02 C ATOM 567 C TRP A 37 6.126 -4.162 -10.645 1.00 1.40 C ATOM 568 O TRP A 37 5.323 -4.451 -11.531 1.00 14.10 O ATOM 569 CB TRP A 37 8.506 -4.581 -11.291 1.00 1.33 C ATOM 570 CG TRP A 37 8.033 -5.607 -12.275 1.00 22.42 C ATOM 571 CD1 TRP A 37 8.314 -5.653 -13.611 1.00 12.44 C ATOM 572 CD2 TRP A 37 7.195 -6.735 -12.000 1.00 62.45 C ATOM 573 NE1 TRP A 37 7.701 -6.741 -14.183 1.00 54.23 N ATOM 574 CE2 TRP A 37 7.009 -7.422 -13.217 1.00 0.45 C ATOM 575 CE3 TRP A 37 6.586 -7.234 -10.846 1.00 13.31 C ATOM 576 CZ2 TRP A 37 6.238 -8.577 -13.308 1.00 63.52 C ATOM 577 CZ3 TRP A 37 5.821 -8.381 -10.939 1.00 11.24 C ATOM 578 CH2 TRP A 37 5.653 -9.043 -12.162 1.00 41.01 C ATOM 0 H TRP A 37 8.818 -2.919 -9.499 1.00 44.01 H new ATOM 0 HA TRP A 37 7.322 -2.882 -11.867 1.00 64.02 H new ATOM 0 HB2 TRP A 37 9.405 -4.102 -11.680 1.00 1.33 H new ATOM 0 HB3 TRP A 37 8.786 -5.080 -10.363 1.00 1.33 H new ATOM 0 HD1 TRP A 37 8.928 -4.939 -14.140 1.00 12.44 H new ATOM 0 HE1 TRP A 37 7.753 -7.000 -15.168 1.00 54.23 H new ATOM 0 HE3 TRP A 37 6.711 -6.732 -9.898 1.00 13.31 H new ATOM 0 HZ2 TRP A 37 6.106 -9.088 -14.250 1.00 63.52 H new ATOM 0 HZ3 TRP A 37 5.344 -8.774 -10.053 1.00 11.24 H new ATOM 0 HH2 TRP A 37 5.050 -9.938 -12.201 1.00 41.01 H new ATOM 589 N ALA A 38 5.896 -4.392 -9.356 1.00 65.35 N ATOM 590 CA ALA A 38 4.658 -5.011 -8.900 1.00 0.20 C ATOM 591 C ALA A 38 3.510 -4.007 -8.902 1.00 20.14 C ATOM 592 O ALA A 38 2.498 -4.208 -9.574 1.00 22.42 O ATOM 593 CB ALA A 38 4.844 -5.601 -7.510 1.00 11.21 C ATOM 0 H ALA A 38 6.551 -4.159 -8.610 1.00 65.35 H new ATOM 0 HA ALA A 38 4.405 -5.814 -9.592 1.00 0.20 H new ATOM 0 HB1 ALA A 38 3.911 -6.060 -7.182 1.00 11.21 H new ATOM 0 HB2 ALA A 38 5.630 -6.356 -7.537 1.00 11.21 H new ATOM 0 HB3 ALA A 38 5.124 -4.811 -6.814 1.00 11.21 H new ATOM 599 N ILE A 39 3.674 -2.927 -8.145 1.00 74.10 N ATOM 600 CA ILE A 39 2.651 -1.892 -8.060 1.00 75.32 C ATOM 601 C ILE A 39 2.343 -1.309 -9.435 1.00 61.23 C ATOM 602 O ILE A 39 1.191 -1.012 -9.751 1.00 71.55 O ATOM 603 CB ILE A 39 3.079 -0.753 -7.116 1.00 74.40 C ATOM 604 CG1 ILE A 39 2.005 0.336 -7.076 1.00 43.35 C ATOM 605 CG2 ILE A 39 4.414 -0.173 -7.557 1.00 61.43 C ATOM 606 CD1 ILE A 39 1.711 0.844 -5.682 1.00 51.24 C ATOM 0 H ILE A 39 4.505 -2.746 -7.582 1.00 74.10 H new ATOM 0 HA ILE A 39 1.755 -2.367 -7.660 1.00 75.32 H new ATOM 0 HB ILE A 39 3.196 -1.158 -6.111 1.00 74.40 H new ATOM 0 HG12 ILE A 39 2.323 1.172 -7.699 1.00 43.35 H new ATOM 0 HG13 ILE A 39 1.086 -0.055 -7.513 1.00 43.35 H new ATOM 0 HG21 ILE A 39 4.703 0.631 -6.880 1.00 61.43 H new ATOM 0 HG22 ILE A 39 5.174 -0.954 -7.538 1.00 61.43 H new ATOM 0 HG23 ILE A 39 4.323 0.220 -8.569 1.00 61.43 H new ATOM 0 HD11 ILE A 39 0.941 1.614 -5.730 1.00 51.24 H new ATOM 0 HD12 ILE A 39 1.362 0.019 -5.060 1.00 51.24 H new ATOM 0 HD13 ILE A 39 2.618 1.266 -5.249 1.00 51.24 H new ATOM 618 N ARG A 40 3.381 -1.149 -10.250 1.00 22.15 N ATOM 619 CA ARG A 40 3.222 -0.602 -11.592 1.00 23.14 C ATOM 620 C ARG A 40 2.442 -1.564 -12.482 1.00 35.40 C ATOM 621 O ARG A 40 1.449 -1.184 -13.103 1.00 23.41 O ATOM 622 CB ARG A 40 4.590 -0.312 -12.212 1.00 50.23 C ATOM 623 CG ARG A 40 4.511 0.333 -13.586 1.00 53.23 C ATOM 624 CD ARG A 40 5.894 0.627 -14.144 1.00 44.33 C ATOM 625 NE ARG A 40 6.134 -0.065 -15.408 1.00 33.34 N ATOM 626 CZ ARG A 40 7.186 0.166 -16.185 1.00 11.13 C ATOM 627 NH1 ARG A 40 8.091 1.067 -15.829 1.00 64.02 N ATOM 628 NH2 ARG A 40 7.334 -0.505 -17.320 1.00 2.12 N ATOM 0 H ARG A 40 4.341 -1.391 -10.004 1.00 22.15 H new ATOM 0 HA ARG A 40 2.661 0.329 -11.514 1.00 23.14 H new ATOM 0 HB2 ARG A 40 5.151 0.342 -11.544 1.00 50.23 H new ATOM 0 HB3 ARG A 40 5.150 -1.244 -12.289 1.00 50.23 H new ATOM 0 HG2 ARG A 40 3.975 -0.327 -14.268 1.00 53.23 H new ATOM 0 HG3 ARG A 40 3.939 1.259 -13.522 1.00 53.23 H new ATOM 0 HD2 ARG A 40 6.004 1.701 -14.293 1.00 44.33 H new ATOM 0 HD3 ARG A 40 6.649 0.327 -13.418 1.00 44.33 H new ATOM 0 HE ARG A 40 5.456 -0.764 -15.711 1.00 33.34 H new ATOM 0 HH11 ARG A 40 7.980 1.584 -14.957 1.00 64.02 H new ATOM 0 HH12 ARG A 40 8.898 1.243 -16.427 1.00 64.02 H new ATOM 0 HH21 ARG A 40 6.639 -1.199 -17.596 1.00 2.12 H new ATOM 0 HH22 ARG A 40 8.142 -0.327 -17.916 1.00 2.12 H new ATOM 642 N MET A 41 2.897 -2.811 -12.539 1.00 64.51 N ATOM 643 CA MET A 41 2.241 -3.828 -13.353 1.00 30.10 C ATOM 644 C MET A 41 0.749 -3.894 -13.041 1.00 63.42 C ATOM 645 O MET A 41 -0.080 -3.976 -13.946 1.00 54.44 O ATOM 646 CB MET A 41 2.885 -5.196 -13.116 1.00 52.51 C ATOM 647 CG MET A 41 2.175 -6.334 -13.831 1.00 50.55 C ATOM 648 SD MET A 41 1.491 -7.552 -12.691 1.00 43.34 S ATOM 649 CE MET A 41 1.489 -9.016 -13.722 1.00 73.34 C ATOM 0 H MET A 41 3.717 -3.142 -12.031 1.00 64.51 H new ATOM 0 HA MET A 41 2.364 -3.554 -14.401 1.00 30.10 H new ATOM 0 HB2 MET A 41 3.923 -5.162 -13.446 1.00 52.51 H new ATOM 0 HB3 MET A 41 2.898 -5.402 -12.046 1.00 52.51 H new ATOM 0 HG2 MET A 41 1.372 -5.927 -14.446 1.00 50.55 H new ATOM 0 HG3 MET A 41 2.875 -6.827 -14.506 1.00 50.55 H new ATOM 0 HE1 MET A 41 0.508 -9.488 -13.681 1.00 73.34 H new ATOM 0 HE2 MET A 41 1.715 -8.737 -14.751 1.00 73.34 H new ATOM 0 HE3 MET A 41 2.243 -9.716 -13.362 1.00 73.34 H new ATOM 659 N ALA A 42 0.416 -3.860 -11.755 1.00 50.32 N ATOM 660 CA ALA A 42 -0.976 -3.914 -11.325 1.00 24.20 C ATOM 661 C ALA A 42 -1.734 -2.665 -11.761 1.00 33.23 C ATOM 662 O ALA A 42 -2.844 -2.753 -12.285 1.00 3.22 O ATOM 663 CB ALA A 42 -1.055 -4.082 -9.815 1.00 30.42 C ATOM 0 H ALA A 42 1.091 -3.795 -10.993 1.00 50.32 H new ATOM 0 HA ALA A 42 -1.445 -4.776 -11.801 1.00 24.20 H new ATOM 0 HB1 ALA A 42 -2.100 -4.121 -9.507 1.00 30.42 H new ATOM 0 HB2 ALA A 42 -0.557 -5.007 -9.525 1.00 30.42 H new ATOM 0 HB3 ALA A 42 -0.565 -3.238 -9.329 1.00 30.42 H new ATOM 669 N ASN A 43 -1.128 -1.503 -11.539 1.00 73.14 N ATOM 670 CA ASN A 43 -1.748 -0.236 -11.908 1.00 51.44 C ATOM 671 C ASN A 43 -2.156 -0.237 -13.379 1.00 21.05 C ATOM 672 O ASN A 43 -3.145 0.388 -13.760 1.00 55.11 O ATOM 673 CB ASN A 43 -0.788 0.924 -11.635 1.00 50.01 C ATOM 674 CG ASN A 43 -1.055 1.593 -10.300 1.00 44.05 C ATOM 675 OD1 ASN A 43 -1.383 0.931 -9.316 1.00 74.32 O ATOM 676 ND2 ASN A 43 -0.914 2.913 -10.262 1.00 21.11 N ATOM 0 H ASN A 43 -0.209 -1.413 -11.106 1.00 73.14 H new ATOM 0 HA ASN A 43 -2.644 -0.109 -11.301 1.00 51.44 H new ATOM 0 HB2 ASN A 43 0.238 0.556 -11.655 1.00 50.01 H new ATOM 0 HB3 ASN A 43 -0.878 1.662 -12.432 1.00 50.01 H new ATOM 0 HD21 ASN A 43 -1.079 3.419 -9.392 1.00 21.11 H new ATOM 0 HD22 ASN A 43 -0.640 3.421 -11.103 1.00 21.11 H new ATOM 683 N VAL A 44 -1.387 -0.945 -14.200 1.00 5.52 N ATOM 684 CA VAL A 44 -1.668 -1.029 -15.628 1.00 31.42 C ATOM 685 C VAL A 44 -2.855 -1.946 -15.900 1.00 71.44 C ATOM 686 O VAL A 44 -3.890 -1.507 -16.402 1.00 2.01 O ATOM 687 CB VAL A 44 -0.446 -1.544 -16.411 1.00 43.43 C ATOM 688 CG1 VAL A 44 -0.699 -1.462 -17.909 1.00 65.40 C ATOM 689 CG2 VAL A 44 0.800 -0.759 -16.029 1.00 41.22 C ATOM 0 H VAL A 44 -0.565 -1.469 -13.901 1.00 5.52 H new ATOM 0 HA VAL A 44 -1.906 -0.020 -15.964 1.00 31.42 H new ATOM 0 HB VAL A 44 -0.283 -2.590 -16.151 1.00 43.43 H new ATOM 0 HG11 VAL A 44 0.175 -1.830 -18.446 1.00 65.40 H new ATOM 0 HG12 VAL A 44 -1.566 -2.071 -18.166 1.00 65.40 H new ATOM 0 HG13 VAL A 44 -0.888 -0.426 -18.190 1.00 65.40 H new ATOM 0 HG21 VAL A 44 1.654 -1.136 -16.592 1.00 41.22 H new ATOM 0 HG22 VAL A 44 0.650 0.296 -16.260 1.00 41.22 H new ATOM 0 HG23 VAL A 44 0.989 -0.874 -14.962 1.00 41.22 H new ATOM 699 N SER A 45 -2.699 -3.223 -15.566 1.00 25.31 N ATOM 700 CA SER A 45 -3.757 -4.204 -15.778 1.00 24.25 C ATOM 701 C SER A 45 -5.056 -3.752 -15.119 1.00 13.11 C ATOM 702 O SER A 45 -6.148 -4.117 -15.556 1.00 32.22 O ATOM 703 CB SER A 45 -3.337 -5.566 -15.222 1.00 21.34 C ATOM 704 OG SER A 45 -2.172 -5.454 -14.423 1.00 21.04 O ATOM 0 H SER A 45 -1.850 -3.603 -15.147 1.00 25.31 H new ATOM 0 HA SER A 45 -3.926 -4.294 -16.851 1.00 24.25 H new ATOM 0 HB2 SER A 45 -4.149 -5.986 -14.629 1.00 21.34 H new ATOM 0 HB3 SER A 45 -3.152 -6.257 -16.045 1.00 21.34 H new ATOM 0 HG SER A 45 -1.925 -6.338 -14.079 1.00 21.04 H new ATOM 710 N THR A 46 -4.931 -2.953 -14.063 1.00 61.53 N ATOM 711 CA THR A 46 -6.094 -2.451 -13.342 1.00 63.43 C ATOM 712 C THR A 46 -6.114 -0.927 -13.325 1.00 72.24 C ATOM 713 O THR A 46 -6.357 -0.311 -12.288 1.00 71.44 O ATOM 714 CB THR A 46 -6.123 -2.970 -11.892 1.00 43.02 C ATOM 715 OG1 THR A 46 -5.122 -2.305 -11.114 1.00 2.42 O ATOM 716 CG2 THR A 46 -5.889 -4.473 -11.850 1.00 51.41 C ATOM 0 H THR A 46 -4.035 -2.640 -13.688 1.00 61.53 H new ATOM 0 HA THR A 46 -6.975 -2.817 -13.869 1.00 63.43 H new ATOM 0 HB THR A 46 -7.107 -2.760 -11.474 1.00 43.02 H new ATOM 0 HG1 THR A 46 -4.293 -2.242 -11.633 1.00 2.42 H new ATOM 0 HG21 THR A 46 -5.914 -4.816 -10.816 1.00 51.41 H new ATOM 0 HG22 THR A 46 -6.669 -4.979 -12.419 1.00 51.41 H new ATOM 0 HG23 THR A 46 -4.916 -4.702 -12.285 1.00 51.41 H new ATOM 851 N THR A 56 -4.645 5.729 -0.298 1.00 1.20 N ATOM 852 CA THR A 56 -5.659 5.365 0.684 1.00 42.43 C ATOM 853 C THR A 56 -5.685 3.859 0.914 1.00 34.22 C ATOM 854 O THR A 56 -5.576 3.074 -0.029 1.00 33.00 O ATOM 855 CB THR A 56 -7.060 5.831 0.243 1.00 24.33 C ATOM 856 OG1 THR A 56 -7.537 5.004 -0.824 1.00 51.53 O ATOM 857 CG2 THR A 56 -7.031 7.283 -0.207 1.00 45.41 C ATOM 0 HA THR A 56 -5.394 5.867 1.614 1.00 42.43 H new ATOM 0 HB THR A 56 -7.733 5.746 1.096 1.00 24.33 H new ATOM 0 HG1 THR A 56 -7.184 5.334 -1.677 1.00 51.53 H new ATOM 0 HG21 THR A 56 -8.031 7.589 -0.513 1.00 45.41 H new ATOM 0 HG22 THR A 56 -6.695 7.913 0.617 1.00 45.41 H new ATOM 0 HG23 THR A 56 -6.345 7.390 -1.048 1.00 45.41 H new ATOM 865 N LEU A 57 -5.832 3.460 2.173 1.00 44.21 N ATOM 866 CA LEU A 57 -5.874 2.046 2.528 1.00 65.24 C ATOM 867 C LEU A 57 -7.126 1.380 1.966 1.00 41.41 C ATOM 868 O LEU A 57 -7.118 0.193 1.642 1.00 63.32 O ATOM 869 CB LEU A 57 -5.832 1.879 4.048 1.00 41.44 C ATOM 870 CG LEU A 57 -4.486 1.461 4.640 1.00 1.15 C ATOM 871 CD1 LEU A 57 -4.521 1.548 6.158 1.00 32.34 C ATOM 872 CD2 LEU A 57 -4.121 0.053 4.193 1.00 4.21 C ATOM 0 H LEU A 57 -5.924 4.096 2.965 1.00 44.21 H new ATOM 0 HA LEU A 57 -5.000 1.562 2.092 1.00 65.24 H new ATOM 0 HB2 LEU A 57 -6.130 2.822 4.505 1.00 41.44 H new ATOM 0 HB3 LEU A 57 -6.578 1.137 4.333 1.00 41.44 H new ATOM 0 HG LEU A 57 -3.721 2.146 4.275 1.00 1.15 H new ATOM 0 HD11 LEU A 57 -3.555 1.247 6.562 1.00 32.34 H new ATOM 0 HD12 LEU A 57 -4.736 2.573 6.459 1.00 32.34 H new ATOM 0 HD13 LEU A 57 -5.297 0.886 6.543 1.00 32.34 H new ATOM 0 HD21 LEU A 57 -3.160 -0.228 4.624 1.00 4.21 H new ATOM 0 HD22 LEU A 57 -4.887 -0.646 4.529 1.00 4.21 H new ATOM 0 HD23 LEU A 57 -4.054 0.022 3.106 1.00 4.21 H new ATOM 884 N ASP A 58 -8.200 2.154 1.852 1.00 63.04 N ATOM 885 CA ASP A 58 -9.459 1.641 1.326 1.00 73.34 C ATOM 886 C ASP A 58 -9.323 1.273 -0.149 1.00 30.14 C ATOM 887 O ASP A 58 -9.671 0.165 -0.556 1.00 31.03 O ATOM 888 CB ASP A 58 -10.571 2.676 1.505 1.00 31.42 C ATOM 889 CG ASP A 58 -10.847 2.981 2.964 1.00 13.41 C ATOM 890 OD1 ASP A 58 -10.644 2.083 3.808 1.00 43.21 O ATOM 891 OD2 ASP A 58 -11.266 4.119 3.262 1.00 12.24 O ATOM 0 H ASP A 58 -8.224 3.139 2.117 1.00 63.04 H new ATOM 0 HA ASP A 58 -9.717 0.741 1.884 1.00 73.34 H new ATOM 0 HB2 ASP A 58 -10.294 3.596 0.990 1.00 31.42 H new ATOM 0 HB3 ASP A 58 -11.483 2.310 1.034 1.00 31.42 H new ATOM 896 N GLN A 59 -8.816 2.210 -0.943 1.00 4.24 N ATOM 897 CA GLN A 59 -8.635 1.984 -2.372 1.00 14.42 C ATOM 898 C GLN A 59 -7.621 0.874 -2.624 1.00 2.01 C ATOM 899 O GLN A 59 -7.919 -0.113 -3.298 1.00 34.04 O ATOM 900 CB GLN A 59 -8.181 3.273 -3.060 1.00 23.22 C ATOM 901 CG GLN A 59 -8.427 3.281 -4.560 1.00 13.22 C ATOM 902 CD GLN A 59 -9.874 2.999 -4.915 1.00 62.21 C ATOM 903 OE1 GLN A 59 -10.776 3.199 -4.101 1.00 5.41 O ATOM 904 NE2 GLN A 59 -10.103 2.531 -6.136 1.00 71.43 N ATOM 0 H GLN A 59 -8.523 3.133 -0.621 1.00 4.24 H new ATOM 0 HA GLN A 59 -9.593 1.676 -2.790 1.00 14.42 H new ATOM 0 HB2 GLN A 59 -8.702 4.118 -2.610 1.00 23.22 H new ATOM 0 HB3 GLN A 59 -7.117 3.419 -2.874 1.00 23.22 H new ATOM 0 HG2 GLN A 59 -8.139 4.251 -4.966 1.00 13.22 H new ATOM 0 HG3 GLN A 59 -7.789 2.535 -5.033 1.00 13.22 H new ATOM 0 HE21 GLN A 59 -9.325 2.380 -6.779 1.00 71.43 H new ATOM 0 HE22 GLN A 59 -11.057 2.322 -6.432 1.00 71.43 H new ATOM 913 N LEU A 60 -6.421 1.041 -2.080 1.00 3.44 N ATOM 914 CA LEU A 60 -5.361 0.053 -2.246 1.00 3.04 C ATOM 915 C LEU A 60 -5.850 -1.340 -1.863 1.00 73.03 C ATOM 916 O LEU A 60 -5.485 -2.332 -2.494 1.00 23.10 O ATOM 917 CB LEU A 60 -4.147 0.431 -1.395 1.00 64.41 C ATOM 918 CG LEU A 60 -2.804 -0.144 -1.849 1.00 52.22 C ATOM 919 CD1 LEU A 60 -1.817 0.975 -2.145 1.00 14.03 C ATOM 920 CD2 LEU A 60 -2.244 -1.087 -0.795 1.00 23.21 C ATOM 0 H LEU A 60 -6.157 1.852 -1.520 1.00 3.44 H new ATOM 0 HA LEU A 60 -5.071 0.040 -3.297 1.00 3.04 H new ATOM 0 HB2 LEU A 60 -4.066 1.518 -1.375 1.00 64.41 H new ATOM 0 HB3 LEU A 60 -4.331 0.106 -0.371 1.00 64.41 H new ATOM 0 HG LEU A 60 -2.964 -0.711 -2.766 1.00 52.22 H new ATOM 0 HD11 LEU A 60 -0.867 0.547 -2.466 1.00 14.03 H new ATOM 0 HD12 LEU A 60 -2.215 1.611 -2.936 1.00 14.03 H new ATOM 0 HD13 LEU A 60 -1.661 1.570 -1.245 1.00 14.03 H new ATOM 0 HD21 LEU A 60 -1.289 -1.487 -1.135 1.00 23.21 H new ATOM 0 HD22 LEU A 60 -2.099 -0.544 0.139 1.00 23.21 H new ATOM 0 HD23 LEU A 60 -2.943 -1.907 -0.632 1.00 23.21 H new ATOM 932 N ARG A 61 -6.681 -1.406 -0.828 1.00 20.21 N ATOM 933 CA ARG A 61 -7.222 -2.677 -0.362 1.00 62.53 C ATOM 934 C ARG A 61 -8.088 -3.326 -1.438 1.00 21.50 C ATOM 935 O ARG A 61 -7.928 -4.507 -1.751 1.00 22.14 O ATOM 936 CB ARG A 61 -8.042 -2.471 0.912 1.00 12.12 C ATOM 937 CG ARG A 61 -8.727 -3.734 1.407 1.00 74.20 C ATOM 938 CD ARG A 61 -10.241 -3.618 1.319 1.00 10.11 C ATOM 939 NE ARG A 61 -10.835 -3.226 2.594 1.00 1.15 N ATOM 940 CZ ARG A 61 -12.140 -3.061 2.778 1.00 72.24 C ATOM 941 NH1 ARG A 61 -12.983 -3.254 1.773 1.00 75.01 N ATOM 942 NH2 ARG A 61 -12.604 -2.703 3.968 1.00 34.41 N ATOM 0 H ARG A 61 -6.994 -0.594 -0.296 1.00 20.21 H new ATOM 0 HA ARG A 61 -6.385 -3.341 -0.143 1.00 62.53 H new ATOM 0 HB2 ARG A 61 -7.388 -2.091 1.697 1.00 12.12 H new ATOM 0 HB3 ARG A 61 -8.797 -1.707 0.728 1.00 12.12 H new ATOM 0 HG2 ARG A 61 -8.391 -4.586 0.816 1.00 74.20 H new ATOM 0 HG3 ARG A 61 -8.435 -3.927 2.439 1.00 74.20 H new ATOM 0 HD2 ARG A 61 -10.505 -2.886 0.556 1.00 10.11 H new ATOM 0 HD3 ARG A 61 -10.660 -4.573 1.002 1.00 10.11 H new ATOM 0 HE ARG A 61 -10.213 -3.070 3.387 1.00 1.15 H new ATOM 0 HH11 ARG A 61 -12.630 -3.530 0.857 1.00 75.01 H new ATOM 0 HH12 ARG A 61 -13.985 -3.127 1.916 1.00 75.01 H new ATOM 0 HH21 ARG A 61 -11.958 -2.554 4.743 1.00 34.41 H new ATOM 0 HH22 ARG A 61 -13.606 -2.577 4.108 1.00 34.41 H new ATOM 956 N LEU A 62 -9.006 -2.548 -2.000 1.00 43.04 N ATOM 957 CA LEU A 62 -9.898 -3.046 -3.041 1.00 72.41 C ATOM 958 C LEU A 62 -9.119 -3.394 -4.306 1.00 34.44 C ATOM 959 O LEU A 62 -9.572 -4.193 -5.126 1.00 51.32 O ATOM 960 CB LEU A 62 -10.973 -2.006 -3.360 1.00 42.34 C ATOM 961 CG LEU A 62 -12.028 -2.423 -4.385 1.00 61.04 C ATOM 962 CD1 LEU A 62 -12.908 -3.529 -3.825 1.00 73.20 C ATOM 963 CD2 LEU A 62 -12.871 -1.226 -4.800 1.00 73.23 C ATOM 0 H LEU A 62 -9.152 -1.569 -1.752 1.00 43.04 H new ATOM 0 HA LEU A 62 -10.377 -3.952 -2.671 1.00 72.41 H new ATOM 0 HB2 LEU A 62 -11.481 -1.742 -2.433 1.00 42.34 H new ATOM 0 HB3 LEU A 62 -10.481 -1.103 -3.722 1.00 42.34 H new ATOM 0 HG LEU A 62 -11.517 -2.806 -5.269 1.00 61.04 H new ATOM 0 HD11 LEU A 62 -13.653 -3.813 -4.568 1.00 73.20 H new ATOM 0 HD12 LEU A 62 -12.293 -4.394 -3.579 1.00 73.20 H new ATOM 0 HD13 LEU A 62 -13.410 -3.174 -2.925 1.00 73.20 H new ATOM 0 HD21 LEU A 62 -13.617 -1.542 -5.530 1.00 73.23 H new ATOM 0 HD22 LEU A 62 -13.372 -0.813 -3.925 1.00 73.23 H new ATOM 0 HD23 LEU A 62 -12.229 -0.465 -5.243 1.00 73.23 H new ATOM 975 N VAL A 63 -7.944 -2.792 -4.455 1.00 53.55 N ATOM 976 CA VAL A 63 -7.100 -3.040 -5.618 1.00 53.01 C ATOM 977 C VAL A 63 -6.518 -4.449 -5.584 1.00 14.31 C ATOM 978 O VAL A 63 -6.778 -5.260 -6.473 1.00 33.11 O ATOM 979 CB VAL A 63 -5.947 -2.022 -5.703 1.00 34.13 C ATOM 980 CG1 VAL A 63 -5.058 -2.320 -6.900 1.00 74.23 C ATOM 981 CG2 VAL A 63 -6.493 -0.604 -5.773 1.00 55.05 C ATOM 0 H VAL A 63 -7.554 -2.129 -3.785 1.00 53.55 H new ATOM 0 HA VAL A 63 -7.734 -2.933 -6.498 1.00 53.01 H new ATOM 0 HB VAL A 63 -5.341 -2.109 -4.801 1.00 34.13 H new ATOM 0 HG11 VAL A 63 -4.249 -1.590 -6.943 1.00 74.23 H new ATOM 0 HG12 VAL A 63 -4.638 -3.321 -6.801 1.00 74.23 H new ATOM 0 HG13 VAL A 63 -5.648 -2.262 -7.815 1.00 74.23 H new ATOM 0 HG21 VAL A 63 -5.665 0.102 -5.833 1.00 55.05 H new ATOM 0 HG22 VAL A 63 -7.123 -0.500 -6.656 1.00 55.05 H new ATOM 0 HG23 VAL A 63 -7.083 -0.397 -4.880 1.00 55.05 H new ATOM 991 N ILE A 64 -5.731 -4.733 -4.552 1.00 42.52 N ATOM 992 CA ILE A 64 -5.113 -6.044 -4.401 1.00 73.23 C ATOM 993 C ILE A 64 -6.160 -7.152 -4.438 1.00 33.22 C ATOM 994 O ILE A 64 -5.938 -8.211 -5.026 1.00 21.44 O ATOM 995 CB ILE A 64 -4.321 -6.145 -3.085 1.00 22.33 C ATOM 996 CG1 ILE A 64 -3.744 -7.553 -2.918 1.00 41.40 C ATOM 997 CG2 ILE A 64 -5.210 -5.788 -1.903 1.00 4.13 C ATOM 998 CD1 ILE A 64 -2.806 -7.685 -1.739 1.00 23.31 C ATOM 0 H ILE A 64 -5.506 -4.073 -3.808 1.00 42.52 H new ATOM 0 HA ILE A 64 -4.426 -6.168 -5.238 1.00 73.23 H new ATOM 0 HB ILE A 64 -3.494 -5.436 -3.121 1.00 22.33 H new ATOM 0 HG12 ILE A 64 -4.564 -8.261 -2.801 1.00 41.40 H new ATOM 0 HG13 ILE A 64 -3.212 -7.829 -3.828 1.00 41.40 H new ATOM 0 HG21 ILE A 64 -4.636 -5.864 -0.980 1.00 4.13 H new ATOM 0 HG22 ILE A 64 -5.577 -4.768 -2.019 1.00 4.13 H new ATOM 0 HG23 ILE A 64 -6.055 -6.476 -1.862 1.00 4.13 H new ATOM 0 HD11 ILE A 64 -2.435 -8.708 -1.682 1.00 23.31 H new ATOM 0 HD12 ILE A 64 -1.966 -7.001 -1.864 1.00 23.31 H new ATOM 0 HD13 ILE A 64 -3.339 -7.440 -0.820 1.00 23.31 H new ATOM 1010 N CYS A 65 -7.302 -6.900 -3.808 1.00 33.22 N ATOM 1011 CA CYS A 65 -8.386 -7.876 -3.769 1.00 25.23 C ATOM 1012 C CYS A 65 -8.983 -8.081 -5.157 1.00 31.10 C ATOM 1013 O CYS A 65 -9.069 -9.207 -5.647 1.00 23.31 O ATOM 1014 CB CYS A 65 -9.473 -7.423 -2.794 1.00 32.12 C ATOM 1015 SG CYS A 65 -9.437 -8.275 -1.199 1.00 70.24 S ATOM 0 H CYS A 65 -7.502 -6.028 -3.317 1.00 33.22 H new ATOM 0 HA CYS A 65 -7.975 -8.826 -3.427 1.00 25.23 H new ATOM 0 HB2 CYS A 65 -9.369 -6.351 -2.624 1.00 32.12 H new ATOM 0 HB3 CYS A 65 -10.448 -7.580 -3.255 1.00 32.12 H new ATOM 0 HG CYS A 65 -10.392 -7.821 -0.443 1.00 70.24 H new ATOM 1021 N ASP A 66 -9.396 -6.986 -5.785 1.00 14.22 N ATOM 1022 CA ASP A 66 -9.987 -7.045 -7.117 1.00 11.12 C ATOM 1023 C ASP A 66 -9.042 -7.728 -8.100 1.00 73.43 C ATOM 1024 O ASP A 66 -9.455 -8.591 -8.877 1.00 21.13 O ATOM 1025 CB ASP A 66 -10.326 -5.638 -7.610 1.00 52.55 C ATOM 1026 CG ASP A 66 -11.201 -5.653 -8.848 1.00 75.42 C ATOM 1027 OD1 ASP A 66 -12.367 -6.088 -8.744 1.00 55.33 O ATOM 1028 OD2 ASP A 66 -10.720 -5.232 -9.921 1.00 71.42 O ATOM 0 H ASP A 66 -9.333 -6.046 -5.393 1.00 14.22 H new ATOM 0 HA ASP A 66 -10.904 -7.631 -7.056 1.00 11.12 H new ATOM 0 HB2 ASP A 66 -10.834 -5.091 -6.816 1.00 52.55 H new ATOM 0 HB3 ASP A 66 -9.403 -5.100 -7.827 1.00 52.55 H new ATOM 1033 N LEU A 67 -7.773 -7.337 -8.063 1.00 54.10 N ATOM 1034 CA LEU A 67 -6.769 -7.911 -8.952 1.00 32.11 C ATOM 1035 C LEU A 67 -6.540 -9.385 -8.635 1.00 34.42 C ATOM 1036 O LEU A 67 -6.705 -10.248 -9.497 1.00 54.21 O ATOM 1037 CB LEU A 67 -5.453 -7.141 -8.831 1.00 22.41 C ATOM 1038 CG LEU A 67 -4.264 -7.720 -9.599 1.00 50.23 C ATOM 1039 CD1 LEU A 67 -3.450 -6.607 -10.240 1.00 4.54 C ATOM 1040 CD2 LEU A 67 -3.391 -8.560 -8.678 1.00 51.41 C ATOM 0 H LEU A 67 -7.415 -6.625 -7.427 1.00 54.10 H new ATOM 0 HA LEU A 67 -7.137 -7.832 -9.975 1.00 32.11 H new ATOM 0 HB2 LEU A 67 -5.620 -6.120 -9.175 1.00 22.41 H new ATOM 0 HB3 LEU A 67 -5.185 -7.083 -7.776 1.00 22.41 H new ATOM 0 HG LEU A 67 -4.647 -8.365 -10.390 1.00 50.23 H new ATOM 0 HD11 LEU A 67 -2.608 -7.038 -10.782 1.00 4.54 H new ATOM 0 HD12 LEU A 67 -4.080 -6.048 -10.932 1.00 4.54 H new ATOM 0 HD13 LEU A 67 -3.078 -5.936 -9.466 1.00 4.54 H new ATOM 0 HD21 LEU A 67 -2.550 -8.964 -9.242 1.00 51.41 H new ATOM 0 HD22 LEU A 67 -3.017 -7.939 -7.864 1.00 51.41 H new ATOM 0 HD23 LEU A 67 -3.980 -9.380 -8.267 1.00 51.41 H new ATOM 1052 N GLN A 68 -6.162 -9.666 -7.392 1.00 61.31 N ATOM 1053 CA GLN A 68 -5.912 -11.037 -6.961 1.00 53.14 C ATOM 1054 C GLN A 68 -7.115 -11.928 -7.257 1.00 4.34 C ATOM 1055 O GLN A 68 -6.970 -13.132 -7.461 1.00 33.42 O ATOM 1056 CB GLN A 68 -5.590 -11.073 -5.467 1.00 32.45 C ATOM 1057 CG GLN A 68 -5.344 -12.475 -4.931 1.00 52.23 C ATOM 1058 CD GLN A 68 -4.914 -12.477 -3.478 1.00 25.12 C ATOM 1059 OE1 GLN A 68 -5.324 -11.620 -2.695 1.00 54.22 O ATOM 1060 NE2 GLN A 68 -4.081 -13.444 -3.108 1.00 53.42 N ATOM 0 H GLN A 68 -6.022 -8.963 -6.666 1.00 61.31 H new ATOM 0 HA GLN A 68 -5.056 -11.417 -7.519 1.00 53.14 H new ATOM 0 HB2 GLN A 68 -4.708 -10.461 -5.279 1.00 32.45 H new ATOM 0 HB3 GLN A 68 -6.414 -10.621 -4.915 1.00 32.45 H new ATOM 0 HG2 GLN A 68 -6.254 -13.065 -5.037 1.00 52.23 H new ATOM 0 HG3 GLN A 68 -4.577 -12.961 -5.534 1.00 52.23 H new ATOM 0 HE21 GLN A 68 -3.766 -14.134 -3.790 1.00 53.42 H new ATOM 0 HE22 GLN A 68 -3.757 -13.496 -2.142 1.00 53.42 H new ATOM 1069 N GLU A 69 -8.300 -11.326 -7.277 1.00 21.12 N ATOM 1070 CA GLU A 69 -9.527 -12.066 -7.546 1.00 20.51 C ATOM 1071 C GLU A 69 -9.573 -12.535 -8.997 1.00 65.14 C ATOM 1072 O GLU A 69 -9.695 -13.729 -9.272 1.00 22.13 O ATOM 1073 CB GLU A 69 -10.750 -11.199 -7.240 1.00 22.11 C ATOM 1074 CG GLU A 69 -12.073 -11.910 -7.468 1.00 30.30 C ATOM 1075 CD GLU A 69 -12.833 -12.156 -6.179 1.00 51.20 C ATOM 1076 OE1 GLU A 69 -12.941 -11.215 -5.365 1.00 30.31 O ATOM 1077 OE2 GLU A 69 -13.320 -13.289 -5.985 1.00 73.31 O ATOM 0 H GLU A 69 -8.436 -10.329 -7.110 1.00 21.12 H new ATOM 0 HA GLU A 69 -9.541 -12.943 -6.898 1.00 20.51 H new ATOM 0 HB2 GLU A 69 -10.699 -10.868 -6.203 1.00 22.11 H new ATOM 0 HB3 GLU A 69 -10.716 -10.305 -7.862 1.00 22.11 H new ATOM 0 HG2 GLU A 69 -12.690 -11.315 -8.141 1.00 30.30 H new ATOM 0 HG3 GLU A 69 -11.888 -12.863 -7.964 1.00 30.30 H new ATOM 1084 N ARG A 70 -9.474 -11.586 -9.923 1.00 21.33 N ATOM 1085 CA ARG A 70 -9.506 -11.901 -11.346 1.00 5.21 C ATOM 1086 C ARG A 70 -8.303 -12.753 -11.741 1.00 73.32 C ATOM 1087 O ARG A 70 -8.446 -13.765 -12.428 1.00 51.23 O ATOM 1088 CB ARG A 70 -9.526 -10.615 -12.174 1.00 15.41 C ATOM 1089 CG ARG A 70 -10.876 -10.321 -12.808 1.00 50.44 C ATOM 1090 CD ARG A 70 -10.720 -9.670 -14.174 1.00 3.12 C ATOM 1091 NE ARG A 70 -12.008 -9.308 -14.758 1.00 52.14 N ATOM 1092 CZ ARG A 70 -12.138 -8.524 -15.823 1.00 70.31 C ATOM 1093 NH1 ARG A 70 -11.063 -8.023 -16.417 1.00 35.53 N ATOM 1094 NH2 ARG A 70 -13.345 -8.240 -16.296 1.00 63.53 N ATOM 0 H ARG A 70 -9.371 -10.593 -9.713 1.00 21.33 H new ATOM 0 HA ARG A 70 -10.414 -12.469 -11.547 1.00 5.21 H new ATOM 0 HB2 ARG A 70 -9.243 -9.778 -11.536 1.00 15.41 H new ATOM 0 HB3 ARG A 70 -8.773 -10.686 -12.959 1.00 15.41 H new ATOM 0 HG2 ARG A 70 -11.442 -11.247 -12.908 1.00 50.44 H new ATOM 0 HG3 ARG A 70 -11.451 -9.665 -12.155 1.00 50.44 H new ATOM 0 HD2 ARG A 70 -10.100 -8.778 -14.082 1.00 3.12 H new ATOM 0 HD3 ARG A 70 -10.198 -10.353 -14.844 1.00 3.12 H new ATOM 0 HE ARG A 70 -12.855 -9.677 -14.325 1.00 52.14 H new ATOM 0 HH11 ARG A 70 -10.134 -8.239 -16.056 1.00 35.53 H new ATOM 0 HH12 ARG A 70 -11.166 -7.422 -17.234 1.00 35.53 H new ATOM 0 HH21 ARG A 70 -14.174 -8.624 -15.842 1.00 63.53 H new ATOM 0 HH22 ARG A 70 -13.444 -7.638 -17.114 1.00 63.53 H new ATOM 1108 N ARG A 71 -7.120 -12.337 -11.303 1.00 24.21 N ATOM 1109 CA ARG A 71 -5.893 -13.061 -11.612 1.00 63.43 C ATOM 1110 C ARG A 71 -5.989 -14.514 -11.156 1.00 71.31 C ATOM 1111 O ARG A 71 -5.637 -15.432 -11.897 1.00 0.52 O ATOM 1112 CB ARG A 71 -4.694 -12.385 -10.945 1.00 41.41 C ATOM 1113 CG ARG A 71 -4.542 -10.917 -11.311 1.00 24.24 C ATOM 1114 CD ARG A 71 -3.486 -10.718 -12.387 1.00 52.21 C ATOM 1115 NE ARG A 71 -3.838 -9.637 -13.305 1.00 23.42 N ATOM 1116 CZ ARG A 71 -4.680 -9.782 -14.322 1.00 11.34 C ATOM 1117 NH1 ARG A 71 -5.255 -10.955 -14.549 1.00 42.34 N ATOM 1118 NH2 ARG A 71 -4.950 -8.751 -15.113 1.00 22.22 N ATOM 0 H ARG A 71 -6.985 -11.502 -10.733 1.00 24.21 H new ATOM 0 HA ARG A 71 -5.755 -13.045 -12.693 1.00 63.43 H new ATOM 0 HB2 ARG A 71 -4.793 -12.473 -9.863 1.00 41.41 H new ATOM 0 HB3 ARG A 71 -3.785 -12.917 -11.226 1.00 41.41 H new ATOM 0 HG2 ARG A 71 -5.498 -10.527 -11.661 1.00 24.24 H new ATOM 0 HG3 ARG A 71 -4.271 -10.346 -10.423 1.00 24.24 H new ATOM 0 HD2 ARG A 71 -2.527 -10.498 -11.918 1.00 52.21 H new ATOM 0 HD3 ARG A 71 -3.361 -11.644 -12.948 1.00 52.21 H new ATOM 0 HE ARG A 71 -3.414 -8.721 -13.157 1.00 23.42 H new ATOM 0 HH11 ARG A 71 -5.051 -11.749 -13.942 1.00 42.34 H new ATOM 0 HH12 ARG A 71 -5.901 -11.063 -15.331 1.00 42.34 H new ATOM 0 HH21 ARG A 71 -4.511 -7.847 -14.940 1.00 22.22 H new ATOM 0 HH22 ARG A 71 -5.597 -8.863 -15.894 1.00 22.22 H new ATOM 1132 N GLU A 72 -6.468 -14.714 -9.932 1.00 61.41 N ATOM 1133 CA GLU A 72 -6.609 -16.056 -9.378 1.00 2.34 C ATOM 1134 C GLU A 72 -7.537 -16.906 -10.240 1.00 34.02 C ATOM 1135 O GLU A 72 -7.230 -18.055 -10.558 1.00 23.04 O ATOM 1136 CB GLU A 72 -7.145 -15.986 -7.946 1.00 74.14 C ATOM 1137 CG GLU A 72 -7.345 -17.349 -7.304 1.00 52.43 C ATOM 1138 CD GLU A 72 -6.610 -17.485 -5.985 1.00 35.21 C ATOM 1139 OE1 GLU A 72 -5.370 -17.347 -5.979 1.00 65.31 O ATOM 1140 OE2 GLU A 72 -7.278 -17.730 -4.958 1.00 4.02 O ATOM 0 H GLU A 72 -6.765 -13.965 -9.306 1.00 61.41 H new ATOM 0 HA GLU A 72 -5.624 -16.523 -9.367 1.00 2.34 H new ATOM 0 HB2 GLU A 72 -6.454 -15.404 -7.336 1.00 74.14 H new ATOM 0 HB3 GLU A 72 -8.095 -15.452 -7.948 1.00 74.14 H new ATOM 0 HG2 GLU A 72 -8.410 -17.517 -7.142 1.00 52.43 H new ATOM 0 HG3 GLU A 72 -7.001 -18.124 -7.989 1.00 52.43 H new ATOM 1147 N LYS A 73 -8.676 -16.333 -10.615 1.00 31.31 N ATOM 1148 CA LYS A 73 -9.651 -17.036 -11.441 1.00 21.14 C ATOM 1149 C LYS A 73 -9.002 -17.568 -12.715 1.00 13.42 C ATOM 1150 O LYS A 73 -9.256 -18.700 -13.127 1.00 2.24 O ATOM 1151 CB LYS A 73 -10.813 -16.106 -11.797 1.00 30.21 C ATOM 1152 CG LYS A 73 -12.075 -16.376 -10.996 1.00 52.21 C ATOM 1153 CD LYS A 73 -13.049 -15.213 -11.082 1.00 51.41 C ATOM 1154 CE LYS A 73 -14.407 -15.660 -11.603 1.00 4.43 C ATOM 1155 NZ LYS A 73 -14.425 -15.760 -13.088 1.00 71.33 N ATOM 0 H LYS A 73 -8.947 -15.383 -10.360 1.00 31.31 H new ATOM 0 HA LYS A 73 -10.033 -17.882 -10.869 1.00 21.14 H new ATOM 0 HB2 LYS A 73 -10.504 -15.073 -11.635 1.00 30.21 H new ATOM 0 HB3 LYS A 73 -11.038 -16.209 -12.859 1.00 30.21 H new ATOM 0 HG2 LYS A 73 -12.555 -17.282 -11.366 1.00 52.21 H new ATOM 0 HG3 LYS A 73 -11.814 -16.557 -9.953 1.00 52.21 H new ATOM 0 HD2 LYS A 73 -13.167 -14.762 -10.097 1.00 51.41 H new ATOM 0 HD3 LYS A 73 -12.642 -14.444 -11.738 1.00 51.41 H new ATOM 0 HE2 LYS A 73 -14.661 -16.628 -11.171 1.00 4.43 H new ATOM 0 HE3 LYS A 73 -15.171 -14.954 -11.277 1.00 4.43 H new ATOM 0 HZ1 LYS A 73 -15.367 -16.067 -13.404 1.00 71.33 H new ATOM 0 HZ2 LYS A 73 -14.207 -14.831 -13.501 1.00 71.33 H new ATOM 0 HZ3 LYS A 73 -13.713 -16.452 -13.398 1.00 71.33 H new ATOM 1169 N PHE A 74 -8.163 -16.744 -13.334 1.00 52.11 N ATOM 1170 CA PHE A 74 -7.478 -17.132 -14.561 1.00 44.34 C ATOM 1171 C PHE A 74 -6.387 -18.159 -14.274 1.00 21.34 C ATOM 1172 O PHE A 74 -6.025 -18.955 -15.139 1.00 21.42 O ATOM 1173 CB PHE A 74 -6.870 -15.903 -15.241 1.00 60.13 C ATOM 1174 CG PHE A 74 -7.794 -15.244 -16.225 1.00 62.24 C ATOM 1175 CD1 PHE A 74 -8.305 -15.955 -17.299 1.00 64.13 C ATOM 1176 CD2 PHE A 74 -8.151 -13.914 -16.077 1.00 1.33 C ATOM 1177 CE1 PHE A 74 -9.155 -15.352 -18.207 1.00 13.05 C ATOM 1178 CE2 PHE A 74 -9.001 -13.305 -16.980 1.00 74.44 C ATOM 1179 CZ PHE A 74 -9.503 -14.025 -18.047 1.00 53.03 C ATOM 0 H PHE A 74 -7.941 -15.804 -13.006 1.00 52.11 H new ATOM 0 HA PHE A 74 -8.211 -17.584 -15.229 1.00 44.34 H new ATOM 0 HB2 PHE A 74 -6.588 -15.178 -14.478 1.00 60.13 H new ATOM 0 HB3 PHE A 74 -5.955 -16.197 -15.755 1.00 60.13 H new ATOM 0 HD1 PHE A 74 -8.036 -16.993 -17.428 1.00 64.13 H new ATOM 0 HD2 PHE A 74 -7.760 -13.346 -15.246 1.00 1.33 H new ATOM 0 HE1 PHE A 74 -9.546 -15.917 -19.040 1.00 13.05 H new ATOM 0 HE2 PHE A 74 -9.273 -12.268 -16.852 1.00 74.44 H new ATOM 0 HZ PHE A 74 -10.167 -13.551 -18.755 1.00 53.03 H new ATOM 1189 N GLY A 75 -5.866 -18.134 -13.050 1.00 73.33 N ATOM 1190 CA GLY A 75 -4.822 -19.067 -12.669 1.00 61.14 C ATOM 1191 C GLY A 75 -3.816 -18.453 -11.716 1.00 64.23 C ATOM 1192 O GLY A 75 -3.810 -17.240 -11.506 1.00 22.54 O ATOM 0 H GLY A 75 -6.149 -17.484 -12.316 1.00 73.33 H new ATOM 0 HA2 GLY A 75 -5.274 -19.942 -12.202 1.00 61.14 H new ATOM 0 HA3 GLY A 75 -4.305 -19.415 -13.564 1.00 61.14 H new ATOM 1196 N SER A 76 -2.963 -19.292 -11.137 1.00 60.52 N ATOM 1197 CA SER A 76 -1.951 -18.826 -10.197 1.00 0.03 C ATOM 1198 C SER A 76 -0.564 -18.856 -10.832 1.00 11.22 C ATOM 1199 O SER A 76 -0.115 -19.893 -11.321 1.00 14.51 O ATOM 1200 CB SER A 76 -1.964 -19.687 -8.932 1.00 61.13 C ATOM 1201 OG SER A 76 -1.393 -20.961 -9.177 1.00 1.22 O ATOM 0 H SER A 76 -2.953 -20.298 -11.303 1.00 60.52 H new ATOM 0 HA SER A 76 -2.187 -17.796 -9.929 1.00 0.03 H new ATOM 0 HB2 SER A 76 -1.411 -19.183 -8.140 1.00 61.13 H new ATOM 0 HB3 SER A 76 -2.989 -19.806 -8.579 1.00 61.13 H new ATOM 0 HG SER A 76 -0.843 -20.923 -9.987 1.00 1.22 H new ATOM 1207 N SER A 77 0.110 -17.710 -10.820 1.00 71.23 N ATOM 1208 CA SER A 77 1.444 -17.603 -11.398 1.00 43.43 C ATOM 1209 C SER A 77 2.388 -16.865 -10.453 1.00 71.21 C ATOM 1210 O SER A 77 1.976 -15.962 -9.725 1.00 11.11 O ATOM 1211 CB SER A 77 1.383 -16.878 -12.744 1.00 43.22 C ATOM 1212 OG SER A 77 1.849 -15.544 -12.627 1.00 35.41 O ATOM 0 H SER A 77 -0.246 -16.843 -10.417 1.00 71.23 H new ATOM 0 HA SER A 77 1.828 -18.611 -11.553 1.00 43.43 H new ATOM 0 HB2 SER A 77 1.986 -17.414 -13.477 1.00 43.22 H new ATOM 0 HB3 SER A 77 0.358 -16.877 -13.114 1.00 43.22 H new ATOM 0 HG SER A 77 1.801 -15.103 -13.501 1.00 35.41 H new ATOM 1218 N LYS A 78 3.657 -17.257 -10.470 1.00 24.11 N ATOM 1219 CA LYS A 78 4.662 -16.634 -9.616 1.00 62.54 C ATOM 1220 C LYS A 78 4.654 -15.118 -9.783 1.00 61.34 C ATOM 1221 O LYS A 78 4.869 -14.379 -8.824 1.00 12.51 O ATOM 1222 CB LYS A 78 6.052 -17.187 -9.943 1.00 14.30 C ATOM 1223 CG LYS A 78 7.145 -16.661 -9.030 1.00 4.32 C ATOM 1224 CD LYS A 78 8.350 -17.587 -9.011 1.00 35.23 C ATOM 1225 CE LYS A 78 9.654 -16.807 -9.058 1.00 1.33 C ATOM 1226 NZ LYS A 78 10.777 -17.634 -9.579 1.00 61.21 N ATOM 0 H LYS A 78 4.015 -18.004 -11.066 1.00 24.11 H new ATOM 0 HA LYS A 78 4.419 -16.869 -8.580 1.00 62.54 H new ATOM 0 HB2 LYS A 78 6.026 -18.275 -9.876 1.00 14.30 H new ATOM 0 HB3 LYS A 78 6.300 -16.937 -10.975 1.00 14.30 H new ATOM 0 HG2 LYS A 78 7.452 -15.670 -9.363 1.00 4.32 H new ATOM 0 HG3 LYS A 78 6.754 -16.551 -8.019 1.00 4.32 H new ATOM 0 HD2 LYS A 78 8.324 -18.201 -8.110 1.00 35.23 H new ATOM 0 HD3 LYS A 78 8.301 -18.267 -9.861 1.00 35.23 H new ATOM 0 HE2 LYS A 78 9.528 -15.927 -9.689 1.00 1.33 H new ATOM 0 HE3 LYS A 78 9.900 -16.450 -8.058 1.00 1.33 H new ATOM 0 HZ1 LYS A 78 11.648 -17.066 -9.595 1.00 61.21 H new ATOM 0 HZ2 LYS A 78 10.914 -18.461 -8.963 1.00 61.21 H new ATOM 0 HZ3 LYS A 78 10.554 -17.954 -10.543 1.00 61.21 H new ATOM 1240 N GLU A 79 4.404 -14.664 -11.007 1.00 53.53 N ATOM 1241 CA GLU A 79 4.367 -13.235 -11.298 1.00 62.11 C ATOM 1242 C GLU A 79 3.250 -12.549 -10.516 1.00 64.24 C ATOM 1243 O GLU A 79 3.480 -11.550 -9.834 1.00 35.55 O ATOM 1244 CB GLU A 79 4.172 -13.002 -12.798 1.00 25.13 C ATOM 1245 CG GLU A 79 5.441 -13.189 -13.613 1.00 23.15 C ATOM 1246 CD GLU A 79 5.292 -14.245 -14.690 1.00 62.23 C ATOM 1247 OE1 GLU A 79 4.876 -13.893 -15.814 1.00 1.24 O ATOM 1248 OE2 GLU A 79 5.592 -15.425 -14.410 1.00 2.32 O ATOM 0 H GLU A 79 4.224 -15.264 -11.812 1.00 53.53 H new ATOM 0 HA GLU A 79 5.320 -12.803 -10.991 1.00 62.11 H new ATOM 0 HB2 GLU A 79 3.409 -13.687 -13.167 1.00 25.13 H new ATOM 0 HB3 GLU A 79 3.796 -11.991 -12.954 1.00 25.13 H new ATOM 0 HG2 GLU A 79 5.715 -12.240 -14.075 1.00 23.15 H new ATOM 0 HG3 GLU A 79 6.258 -13.467 -12.947 1.00 23.15 H new ATOM 1255 N ILE A 80 2.042 -13.092 -10.623 1.00 23.13 N ATOM 1256 CA ILE A 80 0.890 -12.533 -9.926 1.00 63.30 C ATOM 1257 C ILE A 80 1.053 -12.649 -8.414 1.00 73.42 C ATOM 1258 O ILE A 80 0.967 -11.656 -7.692 1.00 40.13 O ATOM 1259 CB ILE A 80 -0.416 -13.233 -10.346 1.00 64.50 C ATOM 1260 CG1 ILE A 80 -0.519 -13.296 -11.871 1.00 43.33 C ATOM 1261 CG2 ILE A 80 -1.617 -12.510 -9.758 1.00 14.25 C ATOM 1262 CD1 ILE A 80 -0.462 -11.938 -12.537 1.00 33.43 C ATOM 0 H ILE A 80 1.836 -13.918 -11.185 1.00 23.13 H new ATOM 0 HA ILE A 80 0.833 -11.480 -10.203 1.00 63.30 H new ATOM 0 HB ILE A 80 -0.405 -14.252 -9.959 1.00 64.50 H new ATOM 0 HG12 ILE A 80 0.291 -13.915 -12.257 1.00 43.33 H new ATOM 0 HG13 ILE A 80 -1.453 -13.787 -12.144 1.00 43.33 H new ATOM 0 HG21 ILE A 80 -2.532 -13.017 -10.064 1.00 14.25 H new ATOM 0 HG22 ILE A 80 -1.547 -12.513 -8.670 1.00 14.25 H new ATOM 0 HG23 ILE A 80 -1.634 -11.481 -10.118 1.00 14.25 H new ATOM 0 HD11 ILE A 80 -0.541 -12.059 -13.617 1.00 33.43 H new ATOM 0 HD12 ILE A 80 -1.288 -11.323 -12.180 1.00 33.43 H new ATOM 0 HD13 ILE A 80 0.483 -11.453 -12.294 1.00 33.43 H new ATOM 1274 N ASP A 81 1.289 -13.868 -7.942 1.00 63.42 N ATOM 1275 CA ASP A 81 1.467 -14.115 -6.516 1.00 1.31 C ATOM 1276 C ASP A 81 2.520 -13.179 -5.930 1.00 22.40 C ATOM 1277 O ASP A 81 2.457 -12.816 -4.756 1.00 40.30 O ATOM 1278 CB ASP A 81 1.869 -15.571 -6.274 1.00 50.43 C ATOM 1279 CG ASP A 81 0.694 -16.522 -6.387 1.00 50.11 C ATOM 1280 OD1 ASP A 81 -0.284 -16.349 -5.630 1.00 74.41 O ATOM 1281 OD2 ASP A 81 0.752 -17.438 -7.233 1.00 64.41 O ATOM 0 H ASP A 81 1.362 -14.701 -8.526 1.00 63.42 H new ATOM 0 HA ASP A 81 0.517 -13.922 -6.018 1.00 1.31 H new ATOM 0 HB2 ASP A 81 2.635 -15.858 -6.994 1.00 50.43 H new ATOM 0 HB3 ASP A 81 2.313 -15.662 -5.283 1.00 50.43 H new ATOM 1286 N MET A 82 3.488 -12.795 -6.756 1.00 11.13 N ATOM 1287 CA MET A 82 4.555 -11.902 -6.319 1.00 12.21 C ATOM 1288 C MET A 82 4.029 -10.483 -6.121 1.00 24.54 C ATOM 1289 O MET A 82 4.163 -9.907 -5.042 1.00 22.35 O ATOM 1290 CB MET A 82 5.695 -11.898 -7.339 1.00 2.24 C ATOM 1291 CG MET A 82 6.827 -12.850 -6.988 1.00 72.55 C ATOM 1292 SD MET A 82 8.436 -12.249 -7.537 1.00 32.12 S ATOM 1293 CE MET A 82 9.472 -13.659 -7.154 1.00 5.43 C ATOM 0 H MET A 82 3.555 -13.088 -7.731 1.00 11.13 H new ATOM 0 HA MET A 82 4.933 -12.267 -5.364 1.00 12.21 H new ATOM 0 HB2 MET A 82 5.297 -12.165 -8.318 1.00 2.24 H new ATOM 0 HB3 MET A 82 6.094 -10.887 -7.422 1.00 2.24 H new ATOM 0 HG2 MET A 82 6.849 -13.000 -5.909 1.00 72.55 H new ATOM 0 HG3 MET A 82 6.633 -13.822 -7.441 1.00 72.55 H new ATOM 0 HE1 MET A 82 10.326 -13.333 -6.560 1.00 5.43 H new ATOM 0 HE2 MET A 82 8.895 -14.391 -6.589 1.00 5.43 H new ATOM 0 HE3 MET A 82 9.826 -14.112 -8.080 1.00 5.43 H new ATOM 1303 N ALA A 83 3.432 -9.927 -7.169 1.00 52.40 N ATOM 1304 CA ALA A 83 2.885 -8.577 -7.109 1.00 2.32 C ATOM 1305 C ALA A 83 1.961 -8.412 -5.907 1.00 41.20 C ATOM 1306 O ALA A 83 1.839 -7.320 -5.352 1.00 10.53 O ATOM 1307 CB ALA A 83 2.143 -8.250 -8.396 1.00 42.13 C ATOM 0 H ALA A 83 3.315 -10.390 -8.070 1.00 52.40 H new ATOM 0 HA ALA A 83 3.715 -7.880 -6.995 1.00 2.32 H new ATOM 0 HB1 ALA A 83 1.740 -7.239 -8.337 1.00 42.13 H new ATOM 0 HB2 ALA A 83 2.830 -8.318 -9.239 1.00 42.13 H new ATOM 0 HB3 ALA A 83 1.326 -8.958 -8.535 1.00 42.13 H new ATOM 1313 N ILE A 84 1.313 -9.502 -5.511 1.00 55.23 N ATOM 1314 CA ILE A 84 0.400 -9.477 -4.375 1.00 10.20 C ATOM 1315 C ILE A 84 1.164 -9.401 -3.058 1.00 23.24 C ATOM 1316 O ILE A 84 0.916 -8.522 -2.233 1.00 14.04 O ATOM 1317 CB ILE A 84 -0.511 -10.719 -4.357 1.00 5.23 C ATOM 1318 CG1 ILE A 84 -1.316 -10.807 -5.655 1.00 0.23 C ATOM 1319 CG2 ILE A 84 -1.439 -10.677 -3.152 1.00 73.14 C ATOM 1320 CD1 ILE A 84 -1.896 -12.179 -5.914 1.00 33.42 C ATOM 0 H ILE A 84 1.403 -10.413 -5.960 1.00 55.23 H new ATOM 0 HA ILE A 84 -0.218 -8.586 -4.486 1.00 10.20 H new ATOM 0 HB ILE A 84 0.113 -11.609 -4.279 1.00 5.23 H new ATOM 0 HG12 ILE A 84 -2.127 -10.079 -5.620 1.00 0.23 H new ATOM 0 HG13 ILE A 84 -0.674 -10.529 -6.491 1.00 0.23 H new ATOM 0 HG21 ILE A 84 -2.077 -11.561 -3.153 1.00 73.14 H new ATOM 0 HG22 ILE A 84 -0.847 -10.658 -2.237 1.00 73.14 H new ATOM 0 HG23 ILE A 84 -2.059 -9.782 -3.202 1.00 73.14 H new ATOM 0 HD11 ILE A 84 -2.454 -12.167 -6.851 1.00 33.42 H new ATOM 0 HD12 ILE A 84 -1.089 -12.908 -5.981 1.00 33.42 H new ATOM 0 HD13 ILE A 84 -2.564 -12.452 -5.097 1.00 33.42 H new ATOM 1332 N VAL A 85 2.098 -10.328 -2.867 1.00 74.52 N ATOM 1333 CA VAL A 85 2.901 -10.366 -1.651 1.00 43.33 C ATOM 1334 C VAL A 85 3.575 -9.022 -1.396 1.00 60.15 C ATOM 1335 O VAL A 85 3.756 -8.613 -0.249 1.00 43.11 O ATOM 1336 CB VAL A 85 3.980 -11.463 -1.725 1.00 1.30 C ATOM 1337 CG1 VAL A 85 4.827 -11.465 -0.462 1.00 1.44 C ATOM 1338 CG2 VAL A 85 3.340 -12.824 -1.950 1.00 22.31 C ATOM 0 H VAL A 85 2.317 -11.063 -3.540 1.00 74.52 H new ATOM 0 HA VAL A 85 2.221 -10.590 -0.829 1.00 43.33 H new ATOM 0 HB VAL A 85 4.633 -11.250 -2.571 1.00 1.30 H new ATOM 0 HG11 VAL A 85 5.584 -12.246 -0.533 1.00 1.44 H new ATOM 0 HG12 VAL A 85 5.315 -10.497 -0.349 1.00 1.44 H new ATOM 0 HG13 VAL A 85 4.191 -11.653 0.403 1.00 1.44 H new ATOM 0 HG21 VAL A 85 4.116 -13.587 -2.000 1.00 22.31 H new ATOM 0 HG22 VAL A 85 2.663 -13.048 -1.126 1.00 22.31 H new ATOM 0 HG23 VAL A 85 2.781 -12.813 -2.886 1.00 22.31 H new ATOM 1348 N THR A 86 3.945 -8.338 -2.475 1.00 14.54 N ATOM 1349 CA THR A 86 4.599 -7.040 -2.369 1.00 1.33 C ATOM 1350 C THR A 86 3.612 -5.960 -1.940 1.00 43.43 C ATOM 1351 O THR A 86 3.877 -5.196 -1.011 1.00 33.15 O ATOM 1352 CB THR A 86 5.247 -6.627 -3.704 1.00 2.34 C ATOM 1353 OG1 THR A 86 4.331 -6.846 -4.782 1.00 33.23 O ATOM 1354 CG2 THR A 86 6.526 -7.413 -3.950 1.00 50.24 C ATOM 0 H THR A 86 3.803 -8.662 -3.432 1.00 14.54 H new ATOM 0 HA THR A 86 5.377 -7.139 -1.612 1.00 1.33 H new ATOM 0 HB THR A 86 5.495 -5.567 -3.650 1.00 2.34 H new ATOM 0 HG1 THR A 86 3.803 -6.034 -4.933 1.00 33.23 H new ATOM 0 HG21 THR A 86 6.966 -7.104 -4.898 1.00 50.24 H new ATOM 0 HG22 THR A 86 7.232 -7.220 -3.143 1.00 50.24 H new ATOM 0 HG23 THR A 86 6.297 -8.478 -3.986 1.00 50.24 H new ATOM 1362 N LEU A 87 2.474 -5.901 -2.623 1.00 1.34 N ATOM 1363 CA LEU A 87 1.446 -4.913 -2.312 1.00 30.53 C ATOM 1364 C LEU A 87 1.047 -4.987 -0.841 1.00 71.44 C ATOM 1365 O LEU A 87 0.661 -3.985 -0.240 1.00 41.42 O ATOM 1366 CB LEU A 87 0.218 -5.131 -3.197 1.00 34.41 C ATOM 1367 CG LEU A 87 0.330 -4.628 -4.636 1.00 53.24 C ATOM 1368 CD1 LEU A 87 -0.944 -4.934 -5.410 1.00 4.44 C ATOM 1369 CD2 LEU A 87 0.623 -3.135 -4.658 1.00 3.23 C ATOM 0 H LEU A 87 2.240 -6.525 -3.395 1.00 1.34 H new ATOM 0 HA LEU A 87 1.857 -3.923 -2.508 1.00 30.53 H new ATOM 0 HB2 LEU A 87 -0.002 -6.198 -3.222 1.00 34.41 H new ATOM 0 HB3 LEU A 87 -0.635 -4.641 -2.727 1.00 34.41 H new ATOM 0 HG LEU A 87 1.158 -5.148 -5.118 1.00 53.24 H new ATOM 0 HD11 LEU A 87 -0.845 -4.568 -6.432 1.00 4.44 H new ATOM 0 HD12 LEU A 87 -1.111 -6.011 -5.424 1.00 4.44 H new ATOM 0 HD13 LEU A 87 -1.789 -4.442 -4.929 1.00 4.44 H new ATOM 0 HD21 LEU A 87 0.699 -2.794 -5.691 1.00 3.23 H new ATOM 0 HD22 LEU A 87 -0.183 -2.599 -4.158 1.00 3.23 H new ATOM 0 HD23 LEU A 87 1.563 -2.941 -4.141 1.00 3.23 H new ATOM 1381 N LYS A 88 1.144 -6.181 -0.267 1.00 22.34 N ATOM 1382 CA LYS A 88 0.797 -6.387 1.135 1.00 62.14 C ATOM 1383 C LYS A 88 1.907 -5.881 2.050 1.00 23.00 C ATOM 1384 O LYS A 88 1.725 -4.911 2.785 1.00 3.44 O ATOM 1385 CB LYS A 88 0.536 -7.871 1.404 1.00 11.31 C ATOM 1386 CG LYS A 88 -0.854 -8.155 1.947 1.00 2.31 C ATOM 1387 CD LYS A 88 -1.105 -9.647 2.084 1.00 61.13 C ATOM 1388 CE LYS A 88 -1.227 -10.319 0.724 1.00 4.53 C ATOM 1389 NZ LYS A 88 -2.006 -11.585 0.799 1.00 31.11 N ATOM 0 H LYS A 88 1.460 -7.021 -0.751 1.00 22.34 H new ATOM 0 HA LYS A 88 -0.110 -5.821 1.346 1.00 62.14 H new ATOM 0 HB2 LYS A 88 0.677 -8.430 0.479 1.00 11.31 H new ATOM 0 HB3 LYS A 88 1.277 -8.239 2.114 1.00 11.31 H new ATOM 0 HG2 LYS A 88 -0.971 -7.675 2.918 1.00 2.31 H new ATOM 0 HG3 LYS A 88 -1.601 -7.719 1.284 1.00 2.31 H new ATOM 0 HD2 LYS A 88 -0.290 -10.104 2.645 1.00 61.13 H new ATOM 0 HD3 LYS A 88 -2.018 -9.812 2.656 1.00 61.13 H new ATOM 0 HE2 LYS A 88 -1.709 -9.637 0.024 1.00 4.53 H new ATOM 0 HE3 LYS A 88 -0.232 -10.528 0.331 1.00 4.53 H new ATOM 0 HZ1 LYS A 88 -2.066 -12.012 -0.147 1.00 31.11 H new ATOM 0 HZ2 LYS A 88 -1.533 -12.246 1.448 1.00 31.11 H new ATOM 0 HZ3 LYS A 88 -2.964 -11.383 1.149 1.00 31.11 H new ATOM 1403 N VAL A 89 3.058 -6.544 1.999 1.00 5.21 N ATOM 1404 CA VAL A 89 4.199 -6.159 2.822 1.00 61.41 C ATOM 1405 C VAL A 89 4.507 -4.673 2.675 1.00 73.41 C ATOM 1406 O VAL A 89 4.999 -4.035 3.606 1.00 60.34 O ATOM 1407 CB VAL A 89 5.455 -6.971 2.454 1.00 23.34 C ATOM 1408 CG1 VAL A 89 5.174 -8.463 2.550 1.00 71.13 C ATOM 1409 CG2 VAL A 89 5.941 -6.600 1.061 1.00 14.13 C ATOM 0 H VAL A 89 3.225 -7.350 1.397 1.00 5.21 H new ATOM 0 HA VAL A 89 3.928 -6.370 3.857 1.00 61.41 H new ATOM 0 HB VAL A 89 6.244 -6.728 3.165 1.00 23.34 H new ATOM 0 HG11 VAL A 89 6.073 -9.020 2.286 1.00 71.13 H new ATOM 0 HG12 VAL A 89 4.878 -8.713 3.569 1.00 71.13 H new ATOM 0 HG13 VAL A 89 4.369 -8.727 1.864 1.00 71.13 H new ATOM 0 HG21 VAL A 89 6.829 -7.184 0.818 1.00 14.13 H new ATOM 0 HG22 VAL A 89 5.157 -6.812 0.334 1.00 14.13 H new ATOM 0 HG23 VAL A 89 6.185 -5.538 1.032 1.00 14.13 H new ATOM 1419 N PHE A 90 4.213 -4.127 1.499 1.00 31.55 N ATOM 1420 CA PHE A 90 4.458 -2.716 1.230 1.00 44.44 C ATOM 1421 C PHE A 90 3.370 -1.846 1.852 1.00 3.41 C ATOM 1422 O PHE A 90 3.655 -0.801 2.437 1.00 31.12 O ATOM 1423 CB PHE A 90 4.525 -2.467 -0.279 1.00 3.03 C ATOM 1424 CG PHE A 90 4.557 -1.011 -0.645 1.00 42.24 C ATOM 1425 CD1 PHE A 90 5.396 -0.133 0.022 1.00 13.22 C ATOM 1426 CD2 PHE A 90 3.748 -0.520 -1.657 1.00 40.14 C ATOM 1427 CE1 PHE A 90 5.428 1.208 -0.313 1.00 33.21 C ATOM 1428 CE2 PHE A 90 3.776 0.819 -1.997 1.00 41.52 C ATOM 1429 CZ PHE A 90 4.616 1.685 -1.323 1.00 71.44 C ATOM 0 H PHE A 90 3.805 -4.641 0.718 1.00 31.55 H new ATOM 0 HA PHE A 90 5.414 -2.447 1.679 1.00 44.44 H new ATOM 0 HB2 PHE A 90 5.414 -2.954 -0.680 1.00 3.03 H new ATOM 0 HB3 PHE A 90 3.663 -2.934 -0.755 1.00 3.03 H new ATOM 0 HD1 PHE A 90 6.033 -0.501 0.813 1.00 13.22 H new ATOM 0 HD2 PHE A 90 3.088 -1.191 -2.186 1.00 40.14 H new ATOM 0 HE1 PHE A 90 6.087 1.882 0.214 1.00 33.21 H new ATOM 0 HE2 PHE A 90 3.142 1.189 -2.789 1.00 41.52 H new ATOM 0 HZ PHE A 90 4.637 2.732 -1.586 1.00 71.44 H new ATOM 1439 N ALA A 91 2.123 -2.284 1.720 1.00 32.54 N ATOM 1440 CA ALA A 91 0.992 -1.548 2.271 1.00 52.34 C ATOM 1441 C ALA A 91 1.027 -1.546 3.795 1.00 2.51 C ATOM 1442 O ALA A 91 0.695 -0.546 4.432 1.00 33.14 O ATOM 1443 CB ALA A 91 -0.317 -2.141 1.772 1.00 75.20 C ATOM 0 H ALA A 91 1.870 -3.145 1.236 1.00 32.54 H new ATOM 0 HA ALA A 91 1.063 -0.515 1.931 1.00 52.34 H new ATOM 0 HB1 ALA A 91 -1.153 -1.582 2.191 1.00 75.20 H new ATOM 0 HB2 ALA A 91 -0.351 -2.083 0.684 1.00 75.20 H new ATOM 0 HB3 ALA A 91 -0.386 -3.184 2.082 1.00 75.20 H new ATOM 1449 N VAL A 92 1.432 -2.671 4.375 1.00 72.33 N ATOM 1450 CA VAL A 92 1.511 -2.799 5.825 1.00 51.11 C ATOM 1451 C VAL A 92 2.760 -2.115 6.369 1.00 13.35 C ATOM 1452 O VAL A 92 2.670 -1.163 7.144 1.00 4.30 O ATOM 1453 CB VAL A 92 1.518 -4.277 6.259 1.00 41.22 C ATOM 1454 CG1 VAL A 92 1.517 -4.388 7.776 1.00 73.22 C ATOM 1455 CG2 VAL A 92 0.329 -5.013 5.661 1.00 53.12 C ATOM 0 H VAL A 92 1.711 -3.508 3.862 1.00 72.33 H new ATOM 0 HA VAL A 92 0.626 -2.313 6.235 1.00 51.11 H new ATOM 0 HB VAL A 92 2.430 -4.743 5.886 1.00 41.22 H new ATOM 0 HG11 VAL A 92 1.522 -5.439 8.064 1.00 73.22 H new ATOM 0 HG12 VAL A 92 2.404 -3.898 8.177 1.00 73.22 H new ATOM 0 HG13 VAL A 92 0.624 -3.907 8.175 1.00 73.22 H new ATOM 0 HG21 VAL A 92 0.350 -6.056 5.978 1.00 53.12 H new ATOM 0 HG22 VAL A 92 -0.596 -4.548 6.003 1.00 53.12 H new ATOM 0 HG23 VAL A 92 0.380 -4.963 4.573 1.00 53.12 H new ATOM 1465 N ALA A 93 3.924 -2.606 5.959 1.00 70.55 N ATOM 1466 CA ALA A 93 5.192 -2.041 6.403 1.00 13.10 C ATOM 1467 C ALA A 93 5.338 -0.594 5.945 1.00 13.45 C ATOM 1468 O ALA A 93 6.175 0.148 6.458 1.00 51.24 O ATOM 1469 CB ALA A 93 6.353 -2.879 5.888 1.00 12.24 C ATOM 0 H ALA A 93 4.015 -3.395 5.319 1.00 70.55 H new ATOM 0 HA ALA A 93 5.205 -2.053 7.493 1.00 13.10 H new ATOM 0 HB1 ALA A 93 7.294 -2.445 6.227 1.00 12.24 H new ATOM 0 HB2 ALA A 93 6.264 -3.896 6.269 1.00 12.24 H new ATOM 0 HB3 ALA A 93 6.334 -2.897 4.798 1.00 12.24 H new ATOM 1475 N GLY A 94 4.517 -0.198 4.977 1.00 60.12 N ATOM 1476 CA GLY A 94 4.572 1.159 4.466 1.00 11.11 C ATOM 1477 C GLY A 94 3.530 2.060 5.100 1.00 63.32 C ATOM 1478 O GLY A 94 3.860 2.931 5.906 1.00 55.23 O ATOM 0 H GLY A 94 3.815 -0.793 4.538 1.00 60.12 H new ATOM 0 HA2 GLY A 94 5.564 1.572 4.647 1.00 11.11 H new ATOM 0 HA3 GLY A 94 4.426 1.143 3.386 1.00 11.11 H new ATOM 1482 N LEU A 95 2.270 1.852 4.735 1.00 20.51 N ATOM 1483 CA LEU A 95 1.176 2.653 5.272 1.00 33.24 C ATOM 1484 C LEU A 95 1.099 2.522 6.790 1.00 4.12 C ATOM 1485 O LEU A 95 0.942 3.515 7.502 1.00 23.24 O ATOM 1486 CB LEU A 95 -0.152 2.225 4.645 1.00 60.52 C ATOM 1487 CG LEU A 95 -0.136 1.992 3.134 1.00 60.24 C ATOM 1488 CD1 LEU A 95 -1.528 1.637 2.633 1.00 3.44 C ATOM 1489 CD2 LEU A 95 0.396 3.221 2.410 1.00 32.44 C ATOM 0 H LEU A 95 1.981 1.135 4.069 1.00 20.51 H new ATOM 0 HA LEU A 95 1.368 3.697 5.024 1.00 33.24 H new ATOM 0 HB2 LEU A 95 -0.481 1.306 5.131 1.00 60.52 H new ATOM 0 HB3 LEU A 95 -0.898 2.988 4.867 1.00 60.52 H new ATOM 0 HG LEU A 95 0.528 1.154 2.922 1.00 60.24 H new ATOM 0 HD11 LEU A 95 -1.497 1.475 1.556 1.00 3.44 H new ATOM 0 HD12 LEU A 95 -1.872 0.728 3.127 1.00 3.44 H new ATOM 0 HD13 LEU A 95 -2.215 2.453 2.857 1.00 3.44 H new ATOM 0 HD21 LEU A 95 0.400 3.037 1.336 1.00 32.44 H new ATOM 0 HD22 LEU A 95 -0.242 4.077 2.629 1.00 32.44 H new ATOM 0 HD23 LEU A 95 1.412 3.430 2.746 1.00 32.44 H new ATOM 1501 N LEU A 96 1.214 1.292 7.279 1.00 14.33 N ATOM 1502 CA LEU A 96 1.160 1.031 8.714 1.00 50.44 C ATOM 1503 C LEU A 96 2.545 1.149 9.341 1.00 44.13 C ATOM 1504 O LEU A 96 2.704 0.998 10.551 1.00 25.41 O ATOM 1505 CB LEU A 96 0.585 -0.361 8.977 1.00 30.44 C ATOM 1506 CG LEU A 96 -0.809 -0.404 9.605 1.00 24.33 C ATOM 1507 CD1 LEU A 96 -0.796 0.252 10.977 1.00 14.21 C ATOM 1508 CD2 LEU A 96 -1.824 0.273 8.697 1.00 51.22 C ATOM 0 H LEU A 96 1.345 0.460 6.704 1.00 14.33 H new ATOM 0 HA LEU A 96 0.510 1.778 9.171 1.00 50.44 H new ATOM 0 HB2 LEU A 96 0.553 -0.903 8.032 1.00 30.44 H new ATOM 0 HB3 LEU A 96 1.272 -0.899 9.630 1.00 30.44 H new ATOM 0 HG LEU A 96 -1.100 -1.447 9.727 1.00 24.33 H new ATOM 0 HD11 LEU A 96 -1.796 0.212 11.409 1.00 14.21 H new ATOM 0 HD12 LEU A 96 -0.099 -0.277 11.627 1.00 14.21 H new ATOM 0 HD13 LEU A 96 -0.484 1.292 10.880 1.00 14.21 H new ATOM 0 HD21 LEU A 96 -2.810 0.233 9.160 1.00 51.22 H new ATOM 0 HD22 LEU A 96 -1.537 1.313 8.543 1.00 51.22 H new ATOM 0 HD23 LEU A 96 -1.853 -0.241 7.736 1.00 51.22 H new ATOM 1520 N ASN A 97 3.545 1.423 8.508 1.00 32.52 N ATOM 1521 CA ASN A 97 4.917 1.563 8.981 1.00 22.45 C ATOM 1522 C ASN A 97 5.327 0.360 9.826 1.00 14.14 C ATOM 1523 O ASN A 97 6.149 0.478 10.734 1.00 32.04 O ATOM 1524 CB ASN A 97 5.069 2.848 9.797 1.00 52.42 C ATOM 1525 CG ASN A 97 6.418 3.509 9.590 1.00 62.43 C ATOM 1526 OD1 ASN A 97 7.460 2.924 9.887 1.00 70.34 O ATOM 1527 ND2 ASN A 97 6.405 4.734 9.078 1.00 32.01 N ATOM 0 H ASN A 97 3.430 1.552 7.503 1.00 32.52 H new ATOM 0 HA ASN A 97 5.571 1.614 8.111 1.00 22.45 H new ATOM 0 HB2 ASN A 97 4.279 3.546 9.520 1.00 52.42 H new ATOM 0 HB3 ASN A 97 4.937 2.621 10.855 1.00 52.42 H new ATOM 0 HD21 ASN A 97 7.282 5.228 8.916 1.00 32.01 H new ATOM 0 HD22 ASN A 97 5.518 5.181 8.847 1.00 32.01 H new ATOM 1534 N MET A 98 4.747 -0.796 9.520 1.00 24.21 N ATOM 1535 CA MET A 98 5.054 -2.021 10.250 1.00 15.12 C ATOM 1536 C MET A 98 6.534 -2.368 10.133 1.00 62.12 C ATOM 1537 O MET A 98 7.269 -1.748 9.364 1.00 43.24 O ATOM 1538 CB MET A 98 4.203 -3.179 9.725 1.00 30.12 C ATOM 1539 CG MET A 98 3.396 -3.879 10.806 1.00 21.45 C ATOM 1540 SD MET A 98 2.164 -2.801 11.562 1.00 23.01 S ATOM 1541 CE MET A 98 2.675 -2.855 13.278 1.00 15.52 C ATOM 0 H MET A 98 4.063 -0.910 8.772 1.00 24.21 H new ATOM 0 HA MET A 98 4.821 -1.856 11.302 1.00 15.12 H new ATOM 0 HB2 MET A 98 3.522 -2.802 8.962 1.00 30.12 H new ATOM 0 HB3 MET A 98 4.854 -3.907 9.240 1.00 30.12 H new ATOM 0 HG2 MET A 98 2.898 -4.748 10.376 1.00 21.45 H new ATOM 0 HG3 MET A 98 4.072 -4.248 11.577 1.00 21.45 H new ATOM 0 HE1 MET A 98 2.008 -2.235 13.876 1.00 15.52 H new ATOM 0 HE2 MET A 98 2.634 -3.883 13.638 1.00 15.52 H new ATOM 0 HE3 MET A 98 3.695 -2.480 13.366 1.00 15.52 H new ATOM 1551 N THR A 99 6.967 -3.363 10.901 1.00 60.33 N ATOM 1552 CA THR A 99 8.360 -3.792 10.884 1.00 51.32 C ATOM 1553 C THR A 99 8.473 -5.283 10.589 1.00 70.00 C ATOM 1554 O THR A 99 9.183 -6.011 11.282 1.00 24.13 O ATOM 1555 CB THR A 99 9.057 -3.491 12.224 1.00 14.32 C ATOM 1556 OG1 THR A 99 8.629 -2.219 12.724 1.00 14.10 O ATOM 1557 CG2 THR A 99 10.569 -3.494 12.061 1.00 60.03 C ATOM 0 H THR A 99 6.372 -3.887 11.543 1.00 60.33 H new ATOM 0 HA THR A 99 8.854 -3.230 10.092 1.00 51.32 H new ATOM 0 HB THR A 99 8.783 -4.271 12.934 1.00 14.32 H new ATOM 0 HG1 THR A 99 9.075 -2.036 13.577 1.00 14.10 H new ATOM 0 HG21 THR A 99 11.039 -3.279 13.021 1.00 60.03 H new ATOM 0 HG22 THR A 99 10.895 -4.473 11.708 1.00 60.03 H new ATOM 0 HG23 THR A 99 10.858 -2.733 11.337 1.00 60.03 H new ATOM 1565 N VAL A 100 7.768 -5.732 9.555 1.00 23.32 N ATOM 1566 CA VAL A 100 7.791 -7.138 9.167 1.00 2.43 C ATOM 1567 C VAL A 100 8.999 -7.446 8.289 1.00 12.32 C ATOM 1568 O VAL A 100 9.342 -6.673 7.394 1.00 35.41 O ATOM 1569 CB VAL A 100 6.508 -7.533 8.413 1.00 13.32 C ATOM 1570 CG1 VAL A 100 5.306 -7.491 9.345 1.00 3.12 C ATOM 1571 CG2 VAL A 100 6.294 -6.623 7.213 1.00 12.41 C ATOM 0 H VAL A 100 7.174 -5.143 8.971 1.00 23.32 H new ATOM 0 HA VAL A 100 7.856 -7.719 10.087 1.00 2.43 H new ATOM 0 HB VAL A 100 6.621 -8.555 8.050 1.00 13.32 H new ATOM 0 HG11 VAL A 100 4.409 -7.773 8.794 1.00 3.12 H new ATOM 0 HG12 VAL A 100 5.460 -8.188 10.169 1.00 3.12 H new ATOM 0 HG13 VAL A 100 5.187 -6.482 9.740 1.00 3.12 H new ATOM 0 HG21 VAL A 100 5.383 -6.916 6.692 1.00 12.41 H new ATOM 0 HG22 VAL A 100 6.202 -5.591 7.551 1.00 12.41 H new ATOM 0 HG23 VAL A 100 7.143 -6.709 6.535 1.00 12.41 H new ATOM 1581 N SER A 101 9.640 -8.580 8.551 1.00 21.12 N ATOM 1582 CA SER A 101 10.812 -8.990 7.787 1.00 44.43 C ATOM 1583 C SER A 101 10.531 -10.268 7.003 1.00 34.23 C ATOM 1584 O SER A 101 11.448 -10.917 6.498 1.00 12.35 O ATOM 1585 CB SER A 101 12.007 -9.202 8.719 1.00 53.12 C ATOM 1586 OG SER A 101 12.615 -7.968 9.057 1.00 45.31 O ATOM 0 H SER A 101 9.367 -9.232 9.287 1.00 21.12 H new ATOM 0 HA SER A 101 11.049 -8.196 7.079 1.00 44.43 H new ATOM 0 HB2 SER A 101 11.679 -9.710 9.626 1.00 53.12 H new ATOM 0 HB3 SER A 101 12.738 -9.851 8.237 1.00 53.12 H new ATOM 0 HG SER A 101 13.375 -8.130 9.654 1.00 45.31 H new ATOM 1592 N THR A 102 9.254 -10.626 6.906 1.00 52.11 N ATOM 1593 CA THR A 102 8.849 -11.827 6.186 1.00 44.32 C ATOM 1594 C THR A 102 7.480 -11.646 5.541 1.00 42.14 C ATOM 1595 O THR A 102 6.546 -11.154 6.172 1.00 11.24 O ATOM 1596 CB THR A 102 8.807 -13.053 7.117 1.00 5.12 C ATOM 1597 OG1 THR A 102 7.729 -12.923 8.050 1.00 3.45 O ATOM 1598 CG2 THR A 102 10.121 -13.206 7.870 1.00 54.22 C ATOM 0 H THR A 102 8.482 -10.101 7.317 1.00 52.11 H new ATOM 0 HA THR A 102 9.594 -11.996 5.409 1.00 44.32 H new ATOM 0 HB THR A 102 8.652 -13.941 6.505 1.00 5.12 H new ATOM 0 HG1 THR A 102 7.708 -13.707 8.637 1.00 3.45 H new ATOM 0 HG21 THR A 102 10.068 -14.078 8.521 1.00 54.22 H new ATOM 0 HG22 THR A 102 10.936 -13.334 7.157 1.00 54.22 H new ATOM 0 HG23 THR A 102 10.302 -12.315 8.471 1.00 54.22 H new ATOM 1606 N ALA A 103 7.368 -12.048 4.279 1.00 42.33 N ATOM 1607 CA ALA A 103 6.112 -11.932 3.549 1.00 73.40 C ATOM 1608 C ALA A 103 4.961 -12.550 4.336 1.00 11.12 C ATOM 1609 O ALA A 103 3.820 -12.100 4.241 1.00 14.33 O ATOM 1610 CB ALA A 103 6.232 -12.591 2.183 1.00 65.03 C ATOM 0 H ALA A 103 8.132 -12.457 3.741 1.00 42.33 H new ATOM 0 HA ALA A 103 5.897 -10.872 3.412 1.00 73.40 H new ATOM 0 HB1 ALA A 103 5.286 -12.497 1.649 1.00 65.03 H new ATOM 0 HB2 ALA A 103 7.022 -12.103 1.612 1.00 65.03 H new ATOM 0 HB3 ALA A 103 6.474 -13.646 2.308 1.00 65.03 H new ATOM 1616 N ALA A 104 5.269 -13.584 5.113 1.00 52.34 N ATOM 1617 CA ALA A 104 4.260 -14.262 5.917 1.00 2.11 C ATOM 1618 C ALA A 104 3.786 -13.376 7.064 1.00 54.22 C ATOM 1619 O ALA A 104 2.600 -13.350 7.391 1.00 75.11 O ATOM 1620 CB ALA A 104 4.809 -15.575 6.455 1.00 63.13 C ATOM 0 H ALA A 104 6.209 -13.970 5.202 1.00 52.34 H new ATOM 0 HA ALA A 104 3.403 -14.474 5.277 1.00 2.11 H new ATOM 0 HB1 ALA A 104 4.045 -16.071 7.054 1.00 63.13 H new ATOM 0 HB2 ALA A 104 5.092 -16.219 5.623 1.00 63.13 H new ATOM 0 HB3 ALA A 104 5.684 -15.377 7.075 1.00 63.13 H new ATOM 1626 N ALA A 105 4.720 -12.651 7.671 1.00 35.21 N ATOM 1627 CA ALA A 105 4.396 -11.763 8.781 1.00 51.15 C ATOM 1628 C ALA A 105 3.480 -10.631 8.328 1.00 35.02 C ATOM 1629 O ALA A 105 2.555 -10.245 9.043 1.00 60.11 O ATOM 1630 CB ALA A 105 5.669 -11.200 9.395 1.00 61.22 C ATOM 0 H ALA A 105 5.707 -12.661 7.413 1.00 35.21 H new ATOM 0 HA ALA A 105 3.867 -12.344 9.537 1.00 51.15 H new ATOM 0 HB1 ALA A 105 5.412 -10.539 10.223 1.00 61.22 H new ATOM 0 HB2 ALA A 105 6.288 -12.018 9.763 1.00 61.22 H new ATOM 0 HB3 ALA A 105 6.220 -10.639 8.640 1.00 61.22 H new ATOM 1636 N ALA A 106 3.743 -10.103 7.138 1.00 51.44 N ATOM 1637 CA ALA A 106 2.941 -9.016 6.590 1.00 52.31 C ATOM 1638 C ALA A 106 1.511 -9.471 6.320 1.00 73.02 C ATOM 1639 O ALA A 106 0.556 -8.873 6.814 1.00 11.41 O ATOM 1640 CB ALA A 106 3.576 -8.481 5.315 1.00 64.41 C ATOM 0 H ALA A 106 4.506 -10.410 6.534 1.00 51.44 H new ATOM 0 HA ALA A 106 2.907 -8.215 7.329 1.00 52.31 H new ATOM 0 HB1 ALA A 106 2.966 -7.670 4.917 1.00 64.41 H new ATOM 0 HB2 ALA A 106 4.576 -8.108 5.535 1.00 64.41 H new ATOM 0 HB3 ALA A 106 3.641 -9.281 4.578 1.00 64.41 H new ATOM 1646 N GLU A 107 1.371 -10.533 5.532 1.00 43.31 N ATOM 1647 CA GLU A 107 0.057 -11.066 5.196 1.00 74.14 C ATOM 1648 C GLU A 107 -0.721 -11.433 6.457 1.00 64.14 C ATOM 1649 O GLU A 107 -1.946 -11.334 6.494 1.00 72.23 O ATOM 1650 CB GLU A 107 0.195 -12.294 4.293 1.00 24.14 C ATOM 1651 CG GLU A 107 0.929 -13.452 4.949 1.00 2.45 C ATOM 1652 CD GLU A 107 0.978 -14.685 4.069 1.00 25.21 C ATOM 1653 OE1 GLU A 107 1.415 -14.567 2.905 1.00 22.33 O ATOM 1654 OE2 GLU A 107 0.580 -15.769 4.545 1.00 61.11 O ATOM 0 H GLU A 107 2.151 -11.040 5.115 1.00 43.31 H new ATOM 0 HA GLU A 107 -0.494 -10.292 4.662 1.00 74.14 H new ATOM 0 HB2 GLU A 107 -0.798 -12.628 3.993 1.00 24.14 H new ATOM 0 HB3 GLU A 107 0.723 -12.008 3.383 1.00 24.14 H new ATOM 0 HG2 GLU A 107 1.946 -13.142 5.191 1.00 2.45 H new ATOM 0 HG3 GLU A 107 0.439 -13.701 5.890 1.00 2.45 H new ATOM 1661 N ASN A 108 0.003 -11.858 7.488 1.00 53.33 N ATOM 1662 CA ASN A 108 -0.618 -12.241 8.750 1.00 11.15 C ATOM 1663 C ASN A 108 -1.238 -11.030 9.441 1.00 31.14 C ATOM 1664 O ASN A 108 -2.369 -11.089 9.922 1.00 14.00 O ATOM 1665 CB ASN A 108 0.413 -12.895 9.672 1.00 63.21 C ATOM 1666 CG ASN A 108 0.569 -14.380 9.404 1.00 54.32 C ATOM 1667 OD1 ASN A 108 -0.399 -15.068 9.078 1.00 11.43 O ATOM 1668 ND2 ASN A 108 1.791 -14.881 9.540 1.00 12.32 N ATOM 0 H ASN A 108 1.019 -11.946 7.474 1.00 53.33 H new ATOM 0 HA ASN A 108 -1.409 -12.959 8.533 1.00 11.15 H new ATOM 0 HB2 ASN A 108 1.377 -12.402 9.543 1.00 63.21 H new ATOM 0 HB3 ASN A 108 0.115 -12.745 10.710 1.00 63.21 H new ATOM 0 HD21 ASN A 108 1.957 -15.873 9.372 1.00 12.32 H new ATOM 0 HD22 ASN A 108 2.564 -14.274 9.812 1.00 12.32 H new ATOM 1675 N MET A 109 -0.489 -9.933 9.486 1.00 22.32 N ATOM 1676 CA MET A 109 -0.966 -8.708 10.117 1.00 43.25 C ATOM 1677 C MET A 109 -2.046 -8.045 9.268 1.00 41.31 C ATOM 1678 O MET A 109 -3.077 -7.613 9.784 1.00 21.25 O ATOM 1679 CB MET A 109 0.196 -7.736 10.335 1.00 34.11 C ATOM 1680 CG MET A 109 0.284 -7.204 11.756 1.00 33.23 C ATOM 1681 SD MET A 109 -1.171 -6.251 12.233 1.00 43.35 S ATOM 1682 CE MET A 109 -0.836 -4.692 11.415 1.00 34.52 C ATOM 0 H MET A 109 0.450 -9.867 9.093 1.00 22.32 H new ATOM 0 HA MET A 109 -1.398 -8.970 11.083 1.00 43.25 H new ATOM 0 HB2 MET A 109 1.131 -8.238 10.085 1.00 34.11 H new ATOM 0 HB3 MET A 109 0.091 -6.897 9.647 1.00 34.11 H new ATOM 0 HG2 MET A 109 0.408 -8.039 12.445 1.00 33.23 H new ATOM 0 HG3 MET A 109 1.171 -6.578 11.851 1.00 33.23 H new ATOM 0 HE1 MET A 109 -0.711 -3.908 12.162 1.00 34.52 H new ATOM 0 HE2 MET A 109 0.076 -4.779 10.825 1.00 34.52 H new ATOM 0 HE3 MET A 109 -1.669 -4.439 10.760 1.00 34.52 H new ATOM 1692 N TYR A 110 -1.803 -7.967 7.964 1.00 1.43 N ATOM 1693 CA TYR A 110 -2.754 -7.353 7.045 1.00 60.51 C ATOM 1694 C TYR A 110 -4.114 -8.040 7.130 1.00 0.42 C ATOM 1695 O TYR A 110 -5.156 -7.394 7.013 1.00 63.41 O ATOM 1696 CB TYR A 110 -2.225 -7.421 5.611 1.00 13.01 C ATOM 1697 CG TYR A 110 -2.884 -6.433 4.676 1.00 51.43 C ATOM 1698 CD1 TYR A 110 -2.953 -5.082 4.997 1.00 73.41 C ATOM 1699 CD2 TYR A 110 -3.438 -6.849 3.471 1.00 11.54 C ATOM 1700 CE1 TYR A 110 -3.555 -4.176 4.146 1.00 41.43 C ATOM 1701 CE2 TYR A 110 -4.040 -5.949 2.614 1.00 52.35 C ATOM 1702 CZ TYR A 110 -4.096 -4.614 2.955 1.00 13.51 C ATOM 1703 OH TYR A 110 -4.697 -3.714 2.104 1.00 64.21 O ATOM 0 H TYR A 110 -0.956 -8.321 7.520 1.00 1.43 H new ATOM 0 HA TYR A 110 -2.876 -6.308 7.332 1.00 60.51 H new ATOM 0 HB2 TYR A 110 -1.150 -7.239 5.620 1.00 13.01 H new ATOM 0 HB3 TYR A 110 -2.374 -8.429 5.225 1.00 13.01 H new ATOM 0 HD1 TYR A 110 -2.529 -4.735 5.928 1.00 73.41 H new ATOM 0 HD2 TYR A 110 -3.397 -7.894 3.200 1.00 11.54 H new ATOM 0 HE1 TYR A 110 -3.602 -3.130 4.412 1.00 41.43 H new ATOM 0 HE2 TYR A 110 -4.465 -6.289 1.681 1.00 52.35 H new ATOM 0 HH TYR A 110 -4.811 -4.124 1.221 1.00 64.21 H new ATOM 1713 N SER A 111 -4.095 -9.353 7.336 1.00 51.40 N ATOM 1714 CA SER A 111 -5.326 -10.129 7.434 1.00 2.33 C ATOM 1715 C SER A 111 -5.881 -10.089 8.855 1.00 51.13 C ATOM 1716 O SER A 111 -7.074 -9.866 9.059 1.00 1.44 O ATOM 1717 CB SER A 111 -5.075 -11.578 7.013 1.00 2.11 C ATOM 1718 OG SER A 111 -4.205 -12.230 7.922 1.00 12.13 O ATOM 0 H SER A 111 -3.241 -9.902 7.438 1.00 51.40 H new ATOM 0 HA SER A 111 -6.061 -9.685 6.762 1.00 2.33 H new ATOM 0 HB2 SER A 111 -6.022 -12.115 6.963 1.00 2.11 H new ATOM 0 HB3 SER A 111 -4.643 -11.600 6.012 1.00 2.11 H new ATOM 0 HG SER A 111 -3.275 -12.079 7.651 1.00 12.13 H new ATOM 1724 N GLN A 112 -5.007 -10.307 9.832 1.00 64.25 N ATOM 1725 CA GLN A 112 -5.409 -10.297 11.233 1.00 72.21 C ATOM 1726 C GLN A 112 -6.042 -8.961 11.608 1.00 61.10 C ATOM 1727 O GLN A 112 -6.937 -8.902 12.450 1.00 33.31 O ATOM 1728 CB GLN A 112 -4.204 -10.575 12.134 1.00 74.15 C ATOM 1729 CG GLN A 112 -4.524 -10.497 13.618 1.00 64.52 C ATOM 1730 CD GLN A 112 -3.363 -10.936 14.488 1.00 24.51 C ATOM 1731 OE1 GLN A 112 -2.232 -11.066 14.017 1.00 54.43 O ATOM 1732 NE2 GLN A 112 -3.635 -11.168 15.767 1.00 75.42 N ATOM 0 H GLN A 112 -4.016 -10.493 9.679 1.00 64.25 H new ATOM 0 HA GLN A 112 -6.150 -11.083 11.378 1.00 72.21 H new ATOM 0 HB2 GLN A 112 -3.812 -11.566 11.907 1.00 74.15 H new ATOM 0 HB3 GLN A 112 -3.415 -9.859 11.903 1.00 74.15 H new ATOM 0 HG2 GLN A 112 -4.798 -9.473 13.874 1.00 64.52 H new ATOM 0 HG3 GLN A 112 -5.391 -11.122 13.832 1.00 64.52 H new ATOM 0 HE21 GLN A 112 -4.586 -11.048 16.116 1.00 75.42 H new ATOM 0 HE22 GLN A 112 -2.893 -11.466 16.400 1.00 75.42 H new ATOM 1741 N MET A 113 -5.570 -7.891 10.977 1.00 1.34 N ATOM 1742 CA MET A 113 -6.091 -6.555 11.245 1.00 62.11 C ATOM 1743 C MET A 113 -7.475 -6.378 10.629 1.00 41.23 C ATOM 1744 O MET A 113 -8.288 -5.595 11.119 1.00 25.10 O ATOM 1745 CB MET A 113 -5.136 -5.493 10.697 1.00 41.20 C ATOM 1746 CG MET A 113 -5.577 -4.069 10.992 1.00 13.52 C ATOM 1747 SD MET A 113 -4.451 -3.210 12.108 1.00 14.25 S ATOM 1748 CE MET A 113 -5.517 -1.913 12.733 1.00 35.11 C ATOM 0 H MET A 113 -4.829 -7.922 10.277 1.00 1.34 H new ATOM 0 HA MET A 113 -6.175 -6.434 12.325 1.00 62.11 H new ATOM 0 HB2 MET A 113 -4.145 -5.653 11.122 1.00 41.20 H new ATOM 0 HB3 MET A 113 -5.045 -5.620 9.618 1.00 41.20 H new ATOM 0 HG2 MET A 113 -5.649 -3.514 10.057 1.00 13.52 H new ATOM 0 HG3 MET A 113 -6.575 -4.085 11.431 1.00 13.52 H new ATOM 0 HE1 MET A 113 -4.962 -1.294 13.438 1.00 35.11 H new ATOM 0 HE2 MET A 113 -5.864 -1.296 11.904 1.00 35.11 H new ATOM 0 HE3 MET A 113 -6.375 -2.358 13.237 1.00 35.11 H new ATOM 1758 N GLY A 114 -7.736 -7.110 9.550 1.00 31.32 N ATOM 1759 CA GLY A 114 -9.023 -7.018 8.885 1.00 64.51 C ATOM 1760 C GLY A 114 -8.950 -6.237 7.588 1.00 72.41 C ATOM 1761 O GLY A 114 -9.961 -5.725 7.106 1.00 51.23 O ATOM 0 H GLY A 114 -7.080 -7.765 9.125 1.00 31.32 H new ATOM 0 HA2 GLY A 114 -9.396 -8.022 8.681 1.00 64.51 H new ATOM 0 HA3 GLY A 114 -9.741 -6.541 9.553 1.00 64.51 H new