USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot -149:sc= 0.829 USER MOD Set 1.2: C 1 LYS N :NH3+ -161:sc= -0.15 (180deg=-0.451) USER MOD Set 1.3: C 2 ASN : amide:sc= -2.45! C(o=-1.8!,f=-10!) USER MOD Set 2.1: A 20 SER OG : rot -156:sc= 0.857 USER MOD Set 2.2: B 1 LYS N :NH3+ -161:sc= -0.163 (180deg=-0.489) USER MOD Set 2.3: B 2 ASN : amide:sc= -3.06! C(o=-2.4!,f=-10!) USER MOD Set 3.1: A 1 LYS N :NH3+ -162:sc= -0.151 (180deg=-0.439) USER MOD Set 3.2: A 2 ASN : amide:sc= -2.84! C(o=-2.2!,f=-9.6!) USER MOD Set 3.3: C 20 SER OG : rot -159:sc= 0.798 USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= -0.0372 (180deg=-0.41) USER MOD Single : A 9 THR OG1 : rot 69:sc= 0.0859 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.0631 (180deg=-0.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS NZ :NH3+ 163:sc= -0.037 (180deg=-0.482) USER MOD Single : B 9 THR OG1 : rot 69:sc= 0.0999 USER MOD Single : B 12 LYS NZ :NH3+ 159:sc= -0.0604 (180deg=-0.526) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS NZ :NH3+ 161:sc= -0.023 (180deg=-0.481) USER MOD Single : C 9 THR OG1 : rot 71:sc= 0.0832 USER MOD Single : C 12 LYS NZ :NH3+ 161:sc= -0.0397 (180deg=-0.544) USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot 180:sc= 0 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.544 4.167 15.403 1.00 0.00 N ATOM 2 CA LYS A 1 -8.739 4.980 15.158 1.00 0.00 C ATOM 3 C LYS A 1 -8.352 6.396 14.773 1.00 0.00 C ATOM 4 O LYS A 1 -9.192 7.293 14.718 1.00 0.00 O ATOM 5 CB LYS A 1 -9.623 5.009 16.406 1.00 0.00 C ATOM 6 CG LYS A 1 -10.243 3.627 16.619 1.00 0.00 C ATOM 7 CD LYS A 1 -11.126 3.652 17.868 1.00 0.00 C ATOM 8 CE LYS A 1 -11.815 2.297 18.032 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.788 1.237 18.234 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.796 3.159 15.363 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.295 4.531 14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.033 5.294 17.277 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.407 5.758 16.293 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.834 3.344 15.748 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.459 2.878 16.730 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.523 3.874 18.748 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.871 4.443 17.784 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.496 2.324 18.882 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.415 2.073 17.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.237 0.392 18.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.357 0.993 17.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.053 1.585 18.882 1.00 0.00 H new ATOM 23 N ASN A 2 -7.071 6.590 14.515 1.00 0.00 N ATOM 24 CA ASN A 2 -6.577 7.907 14.146 1.00 0.00 C ATOM 25 C ASN A 2 -7.200 8.382 12.827 1.00 0.00 C ATOM 26 O ASN A 2 -7.611 7.565 12.002 1.00 0.00 O ATOM 27 CB ASN A 2 -5.052 7.894 14.024 1.00 0.00 C ATOM 28 CG ASN A 2 -4.600 6.687 13.218 1.00 0.00 C ATOM 29 OD1 ASN A 2 -3.752 5.927 13.679 1.00 0.00 O ATOM 30 ND2 ASN A 2 -5.114 6.462 12.038 1.00 0.00 N ATOM 0 H ASN A 2 -6.359 5.861 14.553 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.866 8.602 14.934 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.711 8.810 13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.601 7.868 15.016 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.811 5.653 11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.818 7.096 11.659 1.00 0.00 H new ATOM 37 N PRO A 3 -7.272 9.679 12.604 1.00 0.00 N ATOM 38 CA PRO A 3 -7.853 10.249 11.343 1.00 0.00 C ATOM 39 C PRO A 3 -7.167 9.689 10.091 1.00 0.00 C ATOM 40 O PRO A 3 -7.746 9.677 9.004 1.00 0.00 O ATOM 41 CB PRO A 3 -7.595 11.762 11.473 1.00 0.00 C ATOM 42 CG PRO A 3 -7.462 12.014 12.938 1.00 0.00 C ATOM 43 CD PRO A 3 -6.832 10.756 13.527 1.00 0.00 C ATOM 0 HA PRO A 3 -8.908 9.999 11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.690 12.054 10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.416 12.339 11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.839 12.888 13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.434 12.211 13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.745 10.832 13.565 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.175 10.575 14.546 1.00 0.00 H new ATOM 51 N GLU A 4 -5.933 9.230 10.254 1.00 0.00 N ATOM 52 CA GLU A 4 -5.176 8.675 9.136 1.00 0.00 C ATOM 53 C GLU A 4 -5.873 7.434 8.585 1.00 0.00 C ATOM 54 O GLU A 4 -5.543 6.952 7.499 1.00 0.00 O ATOM 55 CB GLU A 4 -3.758 8.314 9.584 1.00 0.00 C ATOM 56 CG GLU A 4 -2.982 9.592 9.907 1.00 0.00 C ATOM 57 CD GLU A 4 -1.591 9.239 10.423 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.822 10.153 10.666 1.00 0.00 O ATOM 59 OE2 GLU A 4 -1.317 8.058 10.567 1.00 0.00 O ATOM 0 H GLU A 4 -5.436 9.230 11.144 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.121 9.428 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.796 7.668 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.249 7.756 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.902 10.214 9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.520 10.175 10.655 1.00 0.00 H new ATOM 66 N ALA A 5 -6.838 6.923 9.342 1.00 0.00 N ATOM 67 CA ALA A 5 -7.573 5.734 8.928 1.00 0.00 C ATOM 68 C ALA A 5 -8.249 5.971 7.581 1.00 0.00 C ATOM 69 O ALA A 5 -8.443 5.037 6.803 1.00 0.00 O ATOM 70 CB ALA A 5 -8.635 5.384 9.975 1.00 0.00 C ATOM 0 H ALA A 5 -7.128 7.311 10.240 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.869 4.907 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.179 4.495 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.152 5.191 10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.330 6.217 10.080 1.00 0.00 H new ATOM 76 N GLU A 6 -8.597 7.223 7.302 1.00 0.00 N ATOM 77 CA GLU A 6 -9.241 7.555 6.038 1.00 0.00 C ATOM 78 C GLU A 6 -8.311 7.224 4.871 1.00 0.00 C ATOM 79 O GLU A 6 -8.746 6.695 3.846 1.00 0.00 O ATOM 80 CB GLU A 6 -9.583 9.049 6.013 1.00 0.00 C ATOM 81 CG GLU A 6 -10.710 9.330 7.009 1.00 0.00 C ATOM 82 CD GLU A 6 -10.986 10.828 7.078 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.251 11.576 6.453 1.00 0.00 O ATOM 84 OE2 GLU A 6 -11.928 11.207 7.754 1.00 0.00 O ATOM 0 H GLU A 6 -8.446 8.015 7.926 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.155 6.969 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.703 9.639 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.887 9.347 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.613 8.799 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.435 8.957 7.996 1.00 0.00 H new ATOM 91 N GLU A 7 -7.030 7.524 5.041 1.00 0.00 N ATOM 92 CA GLU A 7 -6.046 7.241 4.003 1.00 0.00 C ATOM 93 C GLU A 7 -5.913 5.733 3.811 1.00 0.00 C ATOM 94 O GLU A 7 -5.744 5.248 2.692 1.00 0.00 O ATOM 95 CB GLU A 7 -4.686 7.846 4.376 1.00 0.00 C ATOM 96 CG GLU A 7 -3.679 7.615 3.239 1.00 0.00 C ATOM 97 CD GLU A 7 -4.124 8.378 1.993 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.687 8.020 0.911 1.00 0.00 O ATOM 99 OE2 GLU A 7 -4.898 9.310 2.141 1.00 0.00 O ATOM 0 H GLU A 7 -6.649 7.960 5.881 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.382 7.691 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.794 8.914 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.318 7.394 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.687 7.947 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.604 6.550 3.018 1.00 0.00 H new ATOM 106 N ILE A 8 -5.970 5.001 4.918 1.00 0.00 N ATOM 107 CA ILE A 8 -5.831 3.545 4.872 1.00 0.00 C ATOM 108 C ILE A 8 -6.972 2.942 4.059 1.00 0.00 C ATOM 109 O ILE A 8 -6.762 2.032 3.257 1.00 0.00 O ATOM 110 CB ILE A 8 -5.857 2.973 6.290 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.792 3.672 7.145 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.562 1.473 6.244 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.409 3.586 6.491 1.00 0.00 C ATOM 0 H ILE A 8 -6.110 5.385 5.852 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.880 3.296 4.401 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.842 3.138 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.065 4.718 7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.758 3.214 8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.581 1.067 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.317 0.972 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.578 1.309 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.677 4.090 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.127 2.540 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.438 4.066 5.513 1.00 0.00 H new ATOM 125 N THR A 9 -8.177 3.453 4.265 1.00 0.00 N ATOM 126 CA THR A 9 -9.334 2.955 3.538 1.00 0.00 C ATOM 127 C THR A 9 -9.140 3.157 2.038 1.00 0.00 C ATOM 128 O THR A 9 -9.450 2.274 1.238 1.00 0.00 O ATOM 129 CB THR A 9 -10.594 3.691 3.998 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.823 3.425 5.375 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.795 3.223 3.174 1.00 0.00 C ATOM 0 H THR A 9 -8.378 4.206 4.924 1.00 0.00 H new ATOM 0 HA THR A 9 -9.444 1.890 3.741 1.00 0.00 H new ATOM 0 HB THR A 9 -10.459 4.763 3.855 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.130 3.863 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.690 3.749 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.618 3.435 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.934 2.150 3.310 1.00 0.00 H new ATOM 139 N ARG A 10 -8.628 4.324 1.661 1.00 0.00 N ATOM 140 CA ARG A 10 -8.404 4.625 0.251 1.00 0.00 C ATOM 141 C ARG A 10 -7.387 3.642 -0.330 1.00 0.00 C ATOM 142 O ARG A 10 -7.541 3.161 -1.452 1.00 0.00 O ATOM 143 CB ARG A 10 -7.884 6.054 0.095 1.00 0.00 C ATOM 144 CG ARG A 10 -7.932 6.456 -1.382 1.00 0.00 C ATOM 145 CD ARG A 10 -7.280 7.829 -1.558 1.00 0.00 C ATOM 146 NE ARG A 10 -5.829 7.722 -1.423 1.00 0.00 N ATOM 147 CZ ARG A 10 -5.063 7.418 -2.467 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.770 7.320 -2.324 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.606 7.223 -3.638 1.00 0.00 N ATOM 0 H ARG A 10 -8.363 5.070 2.304 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.348 4.530 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.488 6.739 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.863 6.124 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.413 5.714 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.965 6.485 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.532 8.236 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.671 8.523 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.397 7.883 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.345 7.477 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.184 7.087 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.616 7.304 -3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.020 6.990 -4.440 1.00 0.00 H new ATOM 163 N CYS A 11 -6.346 3.352 0.447 1.00 0.00 N ATOM 164 CA CYS A 11 -5.311 2.421 0.007 1.00 0.00 C ATOM 165 C CYS A 11 -5.914 1.050 -0.272 1.00 0.00 C ATOM 166 O CYS A 11 -5.567 0.391 -1.252 1.00 0.00 O ATOM 167 CB CYS A 11 -4.231 2.297 1.080 1.00 0.00 C ATOM 168 SG CYS A 11 -2.848 1.320 0.432 1.00 0.00 S ATOM 0 H CYS A 11 -6.198 3.745 1.377 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.866 2.805 -0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.884 3.286 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.641 1.821 1.971 1.00 0.00 H new ATOM 173 N LYS A 12 -6.825 0.630 0.596 1.00 0.00 N ATOM 174 CA LYS A 12 -7.480 -0.661 0.440 1.00 0.00 C ATOM 175 C LYS A 12 -8.247 -0.703 -0.878 1.00 0.00 C ATOM 176 O LYS A 12 -8.232 -1.708 -1.587 1.00 0.00 O ATOM 177 CB LYS A 12 -8.444 -0.906 1.606 1.00 0.00 C ATOM 178 CG LYS A 12 -9.055 -2.304 1.484 1.00 0.00 C ATOM 179 CD LYS A 12 -9.988 -2.560 2.670 1.00 0.00 C ATOM 180 CE LYS A 12 -10.599 -3.957 2.543 1.00 0.00 C ATOM 181 NZ LYS A 12 -9.518 -4.980 2.617 1.00 0.00 N ATOM 0 H LYS A 12 -7.126 1.162 1.412 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.719 -1.441 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.915 -0.811 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.232 -0.153 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.607 -2.390 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.266 -3.056 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.436 -2.476 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.776 -1.807 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.325 -4.122 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.135 -4.047 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.929 -5.901 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.046 -5.053 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.824 -4.700 3.339 1.00 0.00 H new ATOM 195 N LYS A 13 -8.920 0.392 -1.197 1.00 0.00 N ATOM 196 CA LYS A 13 -9.693 0.465 -2.429 1.00 0.00 C ATOM 197 C LYS A 13 -8.777 0.320 -3.635 1.00 0.00 C ATOM 198 O LYS A 13 -9.120 -0.346 -4.611 1.00 0.00 O ATOM 199 CB LYS A 13 -10.425 1.811 -2.493 1.00 0.00 C ATOM 200 CG LYS A 13 -11.467 1.918 -1.367 1.00 0.00 C ATOM 201 CD LYS A 13 -12.645 0.969 -1.624 1.00 0.00 C ATOM 202 CE LYS A 13 -13.715 1.191 -0.562 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.857 0.277 -0.836 1.00 0.00 N ATOM 0 H LYS A 13 -8.947 1.236 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.420 -0.347 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.706 2.626 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.916 1.918 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.002 1.677 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.829 2.944 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.060 1.147 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.304 -0.066 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.308 0.999 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.050 2.228 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.595 0.419 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.247 0.482 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.528 -0.709 -0.804 1.00 0.00 H new ATOM 217 N LEU A 14 -7.609 0.936 -3.562 1.00 0.00 N ATOM 218 CA LEU A 14 -6.657 0.855 -4.658 1.00 0.00 C ATOM 219 C LEU A 14 -6.203 -0.588 -4.857 1.00 0.00 C ATOM 220 O LEU A 14 -6.076 -1.062 -5.982 1.00 0.00 O ATOM 221 CB LEU A 14 -5.447 1.739 -4.347 1.00 0.00 C ATOM 222 CG LEU A 14 -5.856 3.224 -4.377 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.705 4.093 -3.833 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.209 3.662 -5.814 1.00 0.00 C ATOM 0 H LEU A 14 -7.299 1.492 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.137 1.201 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.043 1.485 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.657 1.556 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.737 3.355 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.999 5.142 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.482 3.801 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.818 3.951 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.495 4.714 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.343 3.522 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.039 3.060 -6.184 1.00 0.00 H new ATOM 236 N LEU A 15 -5.966 -1.282 -3.753 1.00 0.00 N ATOM 237 CA LEU A 15 -5.536 -2.674 -3.813 1.00 0.00 C ATOM 238 C LEU A 15 -6.632 -3.544 -4.425 1.00 0.00 C ATOM 239 O LEU A 15 -6.361 -4.453 -5.207 1.00 0.00 O ATOM 240 CB LEU A 15 -5.195 -3.168 -2.410 1.00 0.00 C ATOM 241 CG LEU A 15 -3.925 -2.453 -1.911 1.00 0.00 C ATOM 242 CD1 LEU A 15 -3.737 -2.736 -0.418 1.00 0.00 C ATOM 243 CD2 LEU A 15 -2.680 -2.933 -2.694 1.00 0.00 C ATOM 0 H LEU A 15 -6.063 -0.908 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.649 -2.743 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.026 -2.973 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.038 -4.247 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.040 -1.381 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.839 -2.231 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.602 -2.369 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.636 -3.810 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.795 -2.414 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.555 -4.007 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.811 -2.716 -3.754 1.00 0.00 H new ATOM 255 N ASP A 16 -7.873 -3.253 -4.055 1.00 0.00 N ATOM 256 CA ASP A 16 -9.018 -4.004 -4.562 1.00 0.00 C ATOM 257 C ASP A 16 -9.140 -3.853 -6.076 1.00 0.00 C ATOM 258 O ASP A 16 -9.576 -4.771 -6.771 1.00 0.00 O ATOM 259 CB ASP A 16 -10.307 -3.526 -3.891 1.00 0.00 C ATOM 260 CG ASP A 16 -10.347 -3.998 -2.440 1.00 0.00 C ATOM 261 OD1 ASP A 16 -11.185 -3.508 -1.702 1.00 0.00 O ATOM 262 OD2 ASP A 16 -9.538 -4.842 -2.088 1.00 0.00 O ATOM 0 H ASP A 16 -8.114 -2.503 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.861 -5.057 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.365 -2.438 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.172 -3.911 -4.431 1.00 0.00 H new ATOM 267 N ASP A 17 -8.757 -2.686 -6.572 1.00 0.00 N ATOM 268 CA ASP A 17 -8.828 -2.397 -8.000 1.00 0.00 C ATOM 269 C ASP A 17 -7.923 -3.348 -8.775 1.00 0.00 C ATOM 270 O ASP A 17 -7.929 -3.369 -10.002 1.00 0.00 O ATOM 271 CB ASP A 17 -8.420 -0.949 -8.279 1.00 0.00 C ATOM 272 CG ASP A 17 -9.494 0.001 -7.762 1.00 0.00 C ATOM 273 OD1 ASP A 17 -10.576 -0.471 -7.455 1.00 0.00 O ATOM 274 OD2 ASP A 17 -9.220 1.187 -7.682 1.00 0.00 O ATOM 0 H ASP A 17 -8.392 -1.920 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.858 -2.538 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.467 -0.731 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.277 -0.802 -9.350 1.00 0.00 H new ATOM 279 N SER A 18 -7.130 -4.125 -8.050 1.00 0.00 N ATOM 280 CA SER A 18 -6.208 -5.060 -8.683 1.00 0.00 C ATOM 281 C SER A 18 -6.958 -6.006 -9.609 1.00 0.00 C ATOM 282 O SER A 18 -6.440 -6.419 -10.647 1.00 0.00 O ATOM 283 CB SER A 18 -5.477 -5.875 -7.612 1.00 0.00 C ATOM 284 OG SER A 18 -4.548 -6.751 -8.238 1.00 0.00 O ATOM 0 H SER A 18 -7.106 -4.128 -7.030 1.00 0.00 H new ATOM 0 HA SER A 18 -5.486 -4.489 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.958 -5.208 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.193 -6.447 -7.023 1.00 0.00 H new ATOM 0 HG SER A 18 -4.078 -7.272 -7.554 1.00 0.00 H new ATOM 290 N SER A 19 -8.172 -6.346 -9.229 1.00 0.00 N ATOM 291 CA SER A 19 -8.993 -7.251 -10.037 1.00 0.00 C ATOM 292 C SER A 19 -9.664 -6.501 -11.183 1.00 0.00 C ATOM 293 O SER A 19 -10.230 -7.107 -12.094 1.00 0.00 O ATOM 294 CB SER A 19 -10.063 -7.909 -9.168 1.00 0.00 C ATOM 295 OG SER A 19 -9.437 -8.674 -8.147 1.00 0.00 O ATOM 0 H SER A 19 -8.618 -6.017 -8.373 1.00 0.00 H new ATOM 0 HA SER A 19 -8.339 -8.017 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.706 -7.148 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.700 -8.549 -9.778 1.00 0.00 H new ATOM 0 HG SER A 19 -10.122 -9.096 -7.587 1.00 0.00 H new ATOM 301 N SER A 20 -9.587 -5.183 -11.129 1.00 0.00 N ATOM 302 CA SER A 20 -10.177 -4.338 -12.167 1.00 0.00 C ATOM 303 C SER A 20 -9.265 -4.264 -13.386 1.00 0.00 C ATOM 304 O SER A 20 -8.045 -4.390 -13.270 1.00 0.00 O ATOM 305 CB SER A 20 -10.425 -2.929 -11.630 1.00 0.00 C ATOM 306 OG SER A 20 -11.183 -2.194 -12.582 1.00 0.00 O ATOM 0 H SER A 20 -9.123 -4.669 -10.380 1.00 0.00 H new ATOM 0 HA SER A 20 -11.127 -4.783 -12.463 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.959 -2.977 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.476 -2.428 -11.437 1.00 0.00 H new ATOM 0 HG SER A 20 -11.025 -1.235 -12.456 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -9.863 -4.060 -14.559 1.00 0.00 N ATOM 314 CA LYS B 1 -9.098 -3.968 -15.804 1.00 0.00 C ATOM 315 C LYS B 1 -8.851 -2.515 -16.172 1.00 0.00 C ATOM 316 O LYS B 1 -8.392 -2.205 -17.271 1.00 0.00 O ATOM 317 CB LYS B 1 -9.853 -4.663 -16.937 1.00 0.00 C ATOM 318 CG LYS B 1 -9.857 -6.172 -16.687 1.00 0.00 C ATOM 319 CD LYS B 1 -10.614 -6.873 -17.815 1.00 0.00 C ATOM 320 CE LYS B 1 -10.539 -8.387 -17.617 1.00 0.00 C ATOM 321 NZ LYS B 1 -11.197 -8.756 -16.333 1.00 0.00 N ATOM 0 H3 LYS B 1 -9.752 -5.011 -14.153 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.138 -4.462 -15.654 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -10.875 -4.289 -16.992 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.381 -4.442 -17.894 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -8.834 -6.545 -16.634 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -10.327 -6.391 -15.728 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -11.654 -6.548 -17.825 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.185 -6.600 -18.779 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.027 -8.897 -18.447 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -9.499 -8.712 -17.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -11.404 -9.775 -16.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -10.563 -8.529 -15.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.084 -8.222 -16.231 1.00 0.00 H new ATOM 335 N ASN B 2 -9.166 -1.627 -15.245 1.00 0.00 N ATOM 336 CA ASN B 2 -8.980 -0.204 -15.484 1.00 0.00 C ATOM 337 C ASN B 2 -7.498 0.131 -15.704 1.00 0.00 C ATOM 338 O ASN B 2 -6.622 -0.590 -15.228 1.00 0.00 O ATOM 339 CB ASN B 2 -9.526 0.615 -14.311 1.00 0.00 C ATOM 340 CG ASN B 2 -9.063 0.017 -12.993 1.00 0.00 C ATOM 341 OD1 ASN B 2 -9.889 -0.261 -12.124 1.00 0.00 O ATOM 342 ND2 ASN B 2 -7.793 -0.205 -12.786 1.00 0.00 N ATOM 0 H ASN B 2 -9.548 -1.861 -14.329 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.532 0.054 -16.388 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.186 1.648 -14.390 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.615 0.634 -14.347 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.483 -0.610 -11.902 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -7.111 0.026 -13.508 1.00 0.00 H new ATOM 349 N PRO B 3 -7.202 1.208 -16.401 1.00 0.00 N ATOM 350 CA PRO B 3 -5.786 1.631 -16.660 1.00 0.00 C ATOM 351 C PRO B 3 -4.984 1.785 -15.361 1.00 0.00 C ATOM 352 O PRO B 3 -3.756 1.686 -15.360 1.00 0.00 O ATOM 353 CB PRO B 3 -5.936 2.992 -17.366 1.00 0.00 C ATOM 354 CG PRO B 3 -7.299 2.973 -17.973 1.00 0.00 C ATOM 355 CD PRO B 3 -8.167 2.137 -17.039 1.00 0.00 C ATOM 0 HA PRO B 3 -5.241 0.893 -17.249 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.832 3.815 -16.659 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.168 3.127 -18.128 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.695 3.984 -18.073 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.274 2.540 -18.973 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.674 2.758 -16.300 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.940 1.598 -17.586 1.00 0.00 H new ATOM 363 N GLU B 4 -5.687 2.026 -14.263 1.00 0.00 N ATOM 364 CA GLU B 4 -5.038 2.194 -12.967 1.00 0.00 C ATOM 365 C GLU B 4 -4.313 0.913 -12.566 1.00 0.00 C ATOM 366 O GLU B 4 -3.503 0.910 -11.636 1.00 0.00 O ATOM 367 CB GLU B 4 -6.074 2.555 -11.900 1.00 0.00 C ATOM 368 CG GLU B 4 -6.626 3.954 -12.175 1.00 0.00 C ATOM 369 CD GLU B 4 -7.713 4.294 -11.161 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.211 5.406 -11.206 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.032 3.435 -10.353 1.00 0.00 O ATOM 0 H GLU B 4 -6.703 2.110 -14.242 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.311 3.002 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.884 1.826 -11.904 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.619 2.521 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.823 4.688 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.032 4.002 -13.185 1.00 0.00 H new ATOM 378 N ALA B 5 -4.609 -0.172 -13.273 1.00 0.00 N ATOM 379 CA ALA B 5 -3.987 -1.457 -12.981 1.00 0.00 C ATOM 380 C ALA B 5 -2.469 -1.347 -13.090 1.00 0.00 C ATOM 381 O ALA B 5 -1.737 -2.062 -12.404 1.00 0.00 O ATOM 382 CB ALA B 5 -4.493 -2.519 -13.963 1.00 0.00 C ATOM 0 H ALA B 5 -5.272 -0.187 -14.048 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.252 -1.748 -11.964 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.023 -3.476 -13.738 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.575 -2.615 -13.870 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.242 -2.222 -14.981 1.00 0.00 H new ATOM 388 N GLU B 6 -1.998 -0.445 -13.944 1.00 0.00 N ATOM 389 CA GLU B 6 -0.562 -0.256 -14.115 1.00 0.00 C ATOM 390 C GLU B 6 0.071 0.204 -12.803 1.00 0.00 C ATOM 391 O GLU B 6 1.151 -0.255 -12.425 1.00 0.00 O ATOM 392 CB GLU B 6 -0.306 0.794 -15.201 1.00 0.00 C ATOM 393 CG GLU B 6 -0.697 0.223 -16.565 1.00 0.00 C ATOM 394 CD GLU B 6 -0.543 1.292 -17.642 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.246 2.423 -17.289 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.722 0.965 -18.804 1.00 0.00 O ATOM 0 H GLU B 6 -2.581 0.160 -14.522 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.115 -1.205 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.883 1.695 -14.993 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.745 1.082 -15.203 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.070 -0.636 -16.802 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.727 -0.132 -16.538 1.00 0.00 H new ATOM 403 N GLU B 7 -0.613 1.100 -12.105 1.00 0.00 N ATOM 404 CA GLU B 7 -0.115 1.605 -10.832 1.00 0.00 C ATOM 405 C GLU B 7 -0.080 0.478 -9.804 1.00 0.00 C ATOM 406 O GLU B 7 0.831 0.398 -8.980 1.00 0.00 O ATOM 407 CB GLU B 7 -1.002 2.751 -10.326 1.00 0.00 C ATOM 408 CG GLU B 7 -0.425 3.326 -9.024 1.00 0.00 C ATOM 409 CD GLU B 7 0.936 3.962 -9.297 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.699 4.112 -8.358 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.193 4.291 -10.444 1.00 0.00 O ATOM 0 H GLU B 7 -1.509 1.491 -12.396 1.00 0.00 H new ATOM 0 HA GLU B 7 0.896 1.987 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.066 3.534 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.016 2.389 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.107 4.069 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.325 2.536 -8.280 1.00 0.00 H new ATOM 418 N ILE B 8 -1.093 -0.379 -9.852 1.00 0.00 N ATOM 419 CA ILE B 8 -1.188 -1.491 -8.905 1.00 0.00 C ATOM 420 C ILE B 8 0.001 -2.428 -9.083 1.00 0.00 C ATOM 421 O ILE B 8 0.584 -2.901 -8.107 1.00 0.00 O ATOM 422 CB ILE B 8 -2.484 -2.264 -9.138 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.677 -1.300 -9.083 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.644 -3.330 -8.056 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.682 -0.496 -7.780 1.00 0.00 C ATOM 0 H ILE B 8 -1.855 -0.329 -10.528 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.184 -1.091 -7.891 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.448 -2.741 -10.118 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -3.637 -0.619 -9.933 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -4.606 -1.863 -9.169 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.569 -3.882 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.799 -4.018 -8.095 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.678 -2.852 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.539 0.178 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.748 -1.178 -6.932 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.763 0.085 -7.708 1.00 0.00 H new ATOM 437 N THR B 9 0.358 -2.694 -10.330 1.00 0.00 N ATOM 438 CA THR B 9 1.483 -3.571 -10.614 1.00 0.00 C ATOM 439 C THR B 9 2.761 -2.995 -10.012 1.00 0.00 C ATOM 440 O THR B 9 3.569 -3.721 -9.432 1.00 0.00 O ATOM 441 CB THR B 9 1.651 -3.732 -12.127 1.00 0.00 C ATOM 442 OG1 THR B 9 0.490 -4.345 -12.670 1.00 0.00 O ATOM 443 CG2 THR B 9 2.877 -4.598 -12.421 1.00 0.00 C ATOM 0 H THR B 9 -0.110 -2.319 -11.155 1.00 0.00 H new ATOM 0 HA THR B 9 1.289 -4.547 -10.170 1.00 0.00 H new ATOM 0 HB THR B 9 1.789 -2.751 -12.582 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.264 -3.722 -12.617 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.993 -4.710 -13.499 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.766 -4.122 -12.008 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.747 -5.580 -11.966 1.00 0.00 H new ATOM 451 N ARG B 10 2.942 -1.686 -10.154 1.00 0.00 N ATOM 452 CA ARG B 10 4.129 -1.032 -9.618 1.00 0.00 C ATOM 453 C ARG B 10 4.164 -1.187 -8.097 1.00 0.00 C ATOM 454 O ARG B 10 5.215 -1.442 -7.510 1.00 0.00 O ATOM 455 CB ARG B 10 4.122 0.454 -9.986 1.00 0.00 C ATOM 456 CG ARG B 10 5.493 1.065 -9.679 1.00 0.00 C ATOM 457 CD ARG B 10 5.445 2.575 -9.915 1.00 0.00 C ATOM 458 NE ARG B 10 4.693 3.230 -8.847 1.00 0.00 N ATOM 459 CZ ARG B 10 5.288 3.596 -7.716 1.00 0.00 C ATOM 460 NH1 ARG B 10 4.600 4.177 -6.772 1.00 0.00 N ATOM 461 NH2 ARG B 10 6.565 3.380 -7.554 1.00 0.00 N ATOM 0 H ARG B 10 2.289 -1.063 -10.630 1.00 0.00 H new ATOM 0 HA ARG B 10 5.015 -1.500 -10.048 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.886 0.576 -11.043 1.00 0.00 H new ATOM 0 HB3 ARG B 10 3.346 0.975 -9.424 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.772 0.857 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.255 0.611 -10.313 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.458 2.976 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.980 2.785 -10.878 1.00 0.00 H new ATOM 0 HE ARG B 10 3.697 3.409 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG B 10 3.603 4.351 -6.901 1.00 0.00 H new ATOM 0 HH12 ARG B 10 5.059 4.457 -5.905 1.00 0.00 H new ATOM 0 HH21 ARG B 10 7.104 2.931 -8.294 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.024 3.660 -6.687 1.00 0.00 H new ATOM 475 N CYS B 11 3.003 -1.028 -7.467 1.00 0.00 N ATOM 476 CA CYS B 11 2.903 -1.158 -6.018 1.00 0.00 C ATOM 477 C CYS B 11 3.335 -2.549 -5.574 1.00 0.00 C ATOM 478 O CYS B 11 4.029 -2.709 -4.568 1.00 0.00 O ATOM 479 CB CYS B 11 1.466 -0.900 -5.570 1.00 0.00 C ATOM 480 SG CYS B 11 1.408 -0.827 -3.759 1.00 0.00 S ATOM 0 H CYS B 11 2.123 -0.810 -7.935 1.00 0.00 H new ATOM 0 HA CYS B 11 3.564 -0.422 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS B 11 1.103 0.036 -5.995 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.811 -1.691 -5.935 1.00 0.00 H new ATOM 485 N LYS B 12 2.922 -3.555 -6.334 1.00 0.00 N ATOM 486 CA LYS B 12 3.273 -4.934 -6.017 1.00 0.00 C ATOM 487 C LYS B 12 4.786 -5.110 -6.046 1.00 0.00 C ATOM 488 O LYS B 12 5.363 -5.779 -5.191 1.00 0.00 O ATOM 489 CB LYS B 12 2.621 -5.886 -7.026 1.00 0.00 C ATOM 490 CG LYS B 12 2.921 -7.336 -6.633 1.00 0.00 C ATOM 491 CD LYS B 12 2.239 -8.284 -7.621 1.00 0.00 C ATOM 492 CE LYS B 12 2.539 -9.732 -7.228 1.00 0.00 C ATOM 493 NZ LYS B 12 1.937 -10.016 -5.894 1.00 0.00 N ATOM 0 H LYS B 12 2.347 -3.444 -7.169 1.00 0.00 H new ATOM 0 HA LYS B 12 2.908 -5.168 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.544 -5.721 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.999 -5.685 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS B 12 3.997 -7.508 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.565 -7.531 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.163 -8.112 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.595 -8.089 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.134 -10.415 -7.975 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.616 -9.896 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 1.820 -11.043 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.562 -9.652 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.009 -9.552 -5.826 1.00 0.00 H new ATOM 507 N LYS B 13 5.425 -4.506 -7.039 1.00 0.00 N ATOM 508 CA LYS B 13 6.869 -4.608 -7.173 1.00 0.00 C ATOM 509 C LYS B 13 7.554 -3.994 -5.961 1.00 0.00 C ATOM 510 O LYS B 13 8.543 -4.525 -5.459 1.00 0.00 O ATOM 511 CB LYS B 13 7.316 -3.880 -8.446 1.00 0.00 C ATOM 512 CG LYS B 13 6.757 -4.578 -9.698 1.00 0.00 C ATOM 513 CD LYS B 13 7.443 -5.934 -9.917 1.00 0.00 C ATOM 514 CE LYS B 13 6.967 -6.537 -11.232 1.00 0.00 C ATOM 515 NZ LYS B 13 7.655 -7.840 -11.437 1.00 0.00 N ATOM 0 H LYS B 13 4.969 -3.944 -7.758 1.00 0.00 H new ATOM 0 HA LYS B 13 7.148 -5.660 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.975 -2.845 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.405 -3.855 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.682 -4.722 -9.590 1.00 0.00 H new ATOM 0 HG3 LYS B 13 6.908 -3.944 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.526 -5.808 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.213 -6.608 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.886 -6.679 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.185 -5.861 -12.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.338 -8.263 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.683 -7.688 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.425 -8.481 -10.651 1.00 0.00 H new ATOM 529 N LEU B 14 7.020 -2.881 -5.488 1.00 0.00 N ATOM 530 CA LEU B 14 7.592 -2.218 -4.326 1.00 0.00 C ATOM 531 C LEU B 14 7.495 -3.123 -3.103 1.00 0.00 C ATOM 532 O LEU B 14 8.428 -3.220 -2.311 1.00 0.00 O ATOM 533 CB LEU B 14 6.841 -0.912 -4.063 1.00 0.00 C ATOM 534 CG LEU B 14 7.131 0.100 -5.187 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.192 1.314 -5.050 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.598 0.572 -5.128 1.00 0.00 C ATOM 0 H LEU B 14 6.201 -2.421 -5.884 1.00 0.00 H new ATOM 0 HA LEU B 14 8.642 -2.002 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.770 -1.105 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.144 -0.497 -3.102 1.00 0.00 H new ATOM 0 HG LEU B 14 6.959 -0.389 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.401 2.027 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.156 0.983 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.354 1.792 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.783 1.286 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.788 1.049 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.261 -0.285 -5.246 1.00 0.00 H new ATOM 548 N LEU B 15 6.360 -3.788 -2.958 1.00 0.00 N ATOM 549 CA LEU B 15 6.153 -4.690 -1.831 1.00 0.00 C ATOM 550 C LEU B 15 7.125 -5.865 -1.904 1.00 0.00 C ATOM 551 O LEU B 15 7.661 -6.311 -0.891 1.00 0.00 O ATOM 552 CB LEU B 15 4.713 -5.200 -1.837 1.00 0.00 C ATOM 553 CG LEU B 15 3.756 -4.042 -1.507 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.314 -4.485 -1.773 1.00 0.00 C ATOM 555 CD2 LEU B 15 3.906 -3.609 -0.029 1.00 0.00 C ATOM 0 H LEU B 15 5.571 -3.723 -3.601 1.00 0.00 H new ATOM 0 HA LEU B 15 6.337 -4.145 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.469 -5.620 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.597 -6.001 -1.107 1.00 0.00 H new ATOM 0 HG LEU B 15 4.004 -3.190 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.633 -3.666 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.205 -4.760 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.076 -5.344 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.220 -2.789 0.181 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.675 -4.452 0.622 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.930 -3.281 0.152 1.00 0.00 H new ATOM 567 N ASP B 16 7.345 -6.358 -3.114 1.00 0.00 N ATOM 568 CA ASP B 16 8.251 -7.484 -3.326 1.00 0.00 C ATOM 569 C ASP B 16 9.674 -7.119 -2.913 1.00 0.00 C ATOM 570 O ASP B 16 10.432 -7.965 -2.438 1.00 0.00 O ATOM 571 CB ASP B 16 8.236 -7.907 -4.795 1.00 0.00 C ATOM 572 CG ASP B 16 6.916 -8.597 -5.123 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.653 -8.801 -6.297 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.182 -8.905 -4.199 1.00 0.00 O ATOM 0 H ASP B 16 6.911 -5.999 -3.964 1.00 0.00 H new ATOM 0 HA ASP B 16 7.909 -8.314 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.369 -7.035 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.069 -8.581 -4.997 1.00 0.00 H new ATOM 579 N ASP B 17 10.026 -5.855 -3.106 1.00 0.00 N ATOM 580 CA ASP B 17 11.359 -5.368 -2.767 1.00 0.00 C ATOM 581 C ASP B 17 11.604 -5.505 -1.267 1.00 0.00 C ATOM 582 O ASP B 17 12.709 -5.280 -0.785 1.00 0.00 O ATOM 583 CB ASP B 17 11.519 -3.905 -3.185 1.00 0.00 C ATOM 584 CG ASP B 17 11.582 -3.803 -4.704 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.766 -4.826 -5.341 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.442 -2.700 -5.212 1.00 0.00 O ATOM 0 H ASP B 17 9.406 -5.145 -3.497 1.00 0.00 H new ATOM 0 HA ASP B 17 12.091 -5.969 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.683 -3.316 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.426 -3.490 -2.746 1.00 0.00 H new ATOM 591 N SER B 18 10.561 -5.861 -0.530 1.00 0.00 N ATOM 592 CA SER B 18 10.677 -6.004 0.914 1.00 0.00 C ATOM 593 C SER B 18 11.779 -6.993 1.262 1.00 0.00 C ATOM 594 O SER B 18 12.462 -6.849 2.276 1.00 0.00 O ATOM 595 CB SER B 18 9.349 -6.498 1.496 1.00 0.00 C ATOM 596 OG SER B 18 9.451 -6.567 2.912 1.00 0.00 O ATOM 0 H SER B 18 9.632 -6.055 -0.904 1.00 0.00 H new ATOM 0 HA SER B 18 10.924 -5.032 1.340 1.00 0.00 H new ATOM 0 HB2 SER B 18 8.541 -5.824 1.211 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.104 -7.479 1.090 1.00 0.00 H new ATOM 0 HG SER B 18 8.602 -6.881 3.286 1.00 0.00 H new ATOM 602 N SER B 19 11.946 -7.993 0.419 1.00 0.00 N ATOM 603 CA SER B 19 12.977 -9.010 0.645 1.00 0.00 C ATOM 604 C SER B 19 14.341 -8.510 0.182 1.00 0.00 C ATOM 605 O SER B 19 15.375 -9.107 0.487 1.00 0.00 O ATOM 606 CB SER B 19 12.628 -10.294 -0.107 1.00 0.00 C ATOM 607 OG SER B 19 11.402 -10.813 0.390 1.00 0.00 O ATOM 0 H SER B 19 11.390 -8.131 -0.425 1.00 0.00 H new ATOM 0 HA SER B 19 13.019 -9.215 1.715 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.544 -10.092 -1.175 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.424 -11.029 0.017 1.00 0.00 H new ATOM 0 HG SER B 19 11.176 -11.636 -0.092 1.00 0.00 H new ATOM 613 N SER B 20 14.329 -7.409 -0.548 1.00 0.00 N ATOM 614 CA SER B 20 15.565 -6.810 -1.050 1.00 0.00 C ATOM 615 C SER B 20 16.250 -5.999 0.046 1.00 0.00 C ATOM 616 O SER B 20 15.594 -5.472 0.943 1.00 0.00 O ATOM 617 CB SER B 20 15.274 -5.906 -2.248 1.00 0.00 C ATOM 618 OG SER B 20 16.504 -5.484 -2.825 1.00 0.00 O ATOM 0 H SER B 20 13.480 -6.907 -0.809 1.00 0.00 H new ATOM 0 HA SER B 20 16.228 -7.616 -1.364 1.00 0.00 H new ATOM 0 HB2 SER B 20 14.677 -6.441 -2.986 1.00 0.00 H new ATOM 0 HB3 SER B 20 14.691 -5.041 -1.933 1.00 0.00 H new ATOM 0 HG SER B 20 16.393 -4.592 -3.216 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 17.575 -5.902 -0.034 1.00 0.00 N ATOM 626 CA LYS C 1 18.351 -5.149 0.955 1.00 0.00 C ATOM 627 C LYS C 1 18.643 -3.748 0.447 1.00 0.00 C ATOM 628 O LYS C 1 19.448 -3.017 1.025 1.00 0.00 O ATOM 629 CB LYS C 1 19.663 -5.875 1.253 1.00 0.00 C ATOM 630 CG LYS C 1 19.364 -7.161 2.024 1.00 0.00 C ATOM 631 CD LYS C 1 20.672 -7.893 2.320 1.00 0.00 C ATOM 632 CE LYS C 1 20.384 -9.132 3.170 1.00 0.00 C ATOM 633 NZ LYS C 1 19.499 -10.060 2.411 1.00 0.00 N ATOM 0 H3 LYS C 1 17.114 -6.711 0.429 1.00 0.00 H new ATOM 0 HA LYS C 1 17.765 -5.075 1.871 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.183 -6.107 0.324 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.323 -5.233 1.836 1.00 0.00 H new ATOM 0 HG2 LYS C 1 18.847 -6.928 2.955 1.00 0.00 H new ATOM 0 HG3 LYS C 1 18.700 -7.801 1.442 1.00 0.00 H new ATOM 0 HD2 LYS C 1 21.157 -8.183 1.388 1.00 0.00 H new ATOM 0 HD3 LYS C 1 21.361 -7.231 2.845 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.317 -9.633 3.430 1.00 0.00 H new ATOM 0 HE3 LYS C 1 19.907 -8.841 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 19.559 -11.013 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 18.517 -9.722 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 19.803 -10.094 1.417 1.00 0.00 H new ATOM 647 N ASN C 2 17.991 -3.384 -0.642 1.00 0.00 N ATOM 648 CA ASN C 2 18.196 -2.068 -1.226 1.00 0.00 C ATOM 649 C ASN C 2 17.767 -0.958 -0.258 1.00 0.00 C ATOM 650 O ASN C 2 16.920 -1.180 0.607 1.00 0.00 O ATOM 651 CB ASN C 2 17.421 -1.937 -2.540 1.00 0.00 C ATOM 652 CG ASN C 2 16.001 -2.447 -2.366 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.553 -3.288 -3.144 1.00 0.00 O ATOM 654 ND2 ASN C 2 15.261 -1.994 -1.391 1.00 0.00 N ATOM 0 H ASN C 2 17.321 -3.973 -1.137 1.00 0.00 H new ATOM 0 HA ASN C 2 19.262 -1.958 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN C 2 17.404 -0.895 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.924 -2.502 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN C 2 14.308 -2.337 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN C 2 15.636 -1.297 -0.748 1.00 0.00 H new ATOM 661 N PRO C 3 18.323 0.230 -0.389 1.00 0.00 N ATOM 662 CA PRO C 3 17.962 1.387 0.496 1.00 0.00 C ATOM 663 C PRO C 3 16.455 1.669 0.489 1.00 0.00 C ATOM 664 O PRO C 3 15.916 2.250 1.431 1.00 0.00 O ATOM 665 CB PRO C 3 18.738 2.570 -0.115 1.00 0.00 C ATOM 666 CG PRO C 3 19.874 1.953 -0.863 1.00 0.00 C ATOM 667 CD PRO C 3 19.364 0.609 -1.375 1.00 0.00 C ATOM 0 HA PRO C 3 18.214 1.197 1.539 1.00 0.00 H new ATOM 0 HB2 PRO C 3 18.102 3.156 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO C 3 19.099 3.246 0.660 1.00 0.00 H new ATOM 0 HG2 PRO C 3 20.189 2.591 -1.689 1.00 0.00 H new ATOM 0 HG3 PRO C 3 20.740 1.820 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.952 0.694 -2.380 1.00 0.00 H new ATOM 0 HD3 PRO C 3 20.162 -0.132 -1.419 1.00 0.00 H new ATOM 675 N GLU C 4 15.786 1.254 -0.579 1.00 0.00 N ATOM 676 CA GLU C 4 14.348 1.466 -0.702 1.00 0.00 C ATOM 677 C GLU C 4 13.603 0.724 0.404 1.00 0.00 C ATOM 678 O GLU C 4 12.414 0.958 0.635 1.00 0.00 O ATOM 679 CB GLU C 4 13.853 0.981 -2.067 1.00 0.00 C ATOM 680 CG GLU C 4 14.414 1.885 -3.166 1.00 0.00 C ATOM 681 CD GLU C 4 13.973 1.377 -4.533 1.00 0.00 C ATOM 682 OE1 GLU C 4 14.276 2.034 -5.515 1.00 0.00 O ATOM 683 OE2 GLU C 4 13.337 0.336 -4.580 1.00 0.00 O ATOM 0 H GLU C 4 16.213 0.771 -1.369 1.00 0.00 H new ATOM 0 HA GLU C 4 14.152 2.534 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU C 4 14.167 -0.049 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.763 0.991 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU C 4 14.067 2.908 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU C 4 15.502 1.907 -3.110 1.00 0.00 H new ATOM 690 N ALA C 5 14.311 -0.171 1.083 1.00 0.00 N ATOM 691 CA ALA C 5 13.709 -0.952 2.159 1.00 0.00 C ATOM 692 C ALA C 5 13.153 -0.028 3.238 1.00 0.00 C ATOM 693 O ALA C 5 12.182 -0.366 3.915 1.00 0.00 O ATOM 694 CB ALA C 5 14.756 -1.881 2.780 1.00 0.00 C ATOM 0 H ALA C 5 15.296 -0.374 0.910 1.00 0.00 H new ATOM 0 HA ALA C 5 12.896 -1.546 1.742 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.299 -2.460 3.582 1.00 0.00 H new ATOM 0 HB2 ALA C 5 15.140 -2.558 2.017 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.576 -1.287 3.184 1.00 0.00 H new ATOM 700 N GLU C 6 13.764 1.143 3.392 1.00 0.00 N ATOM 701 CA GLU C 6 13.304 2.099 4.391 1.00 0.00 C ATOM 702 C GLU C 6 11.872 2.534 4.087 1.00 0.00 C ATOM 703 O GLU C 6 11.041 2.657 4.989 1.00 0.00 O ATOM 704 CB GLU C 6 14.223 3.325 4.389 1.00 0.00 C ATOM 705 CG GLU C 6 15.594 2.935 4.943 1.00 0.00 C ATOM 706 CD GLU C 6 16.552 4.119 4.847 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.166 5.123 4.274 1.00 0.00 O ATOM 708 OE2 GLU C 6 17.656 4.003 5.352 1.00 0.00 O ATOM 0 H GLU C 6 14.569 1.449 2.845 1.00 0.00 H new ATOM 0 HA GLU C 6 13.329 1.624 5.372 1.00 0.00 H new ATOM 0 HB2 GLU C 6 14.326 3.714 3.376 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.787 4.120 4.994 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.499 2.617 5.981 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.993 2.088 4.385 1.00 0.00 H new ATOM 715 N GLU C 7 11.584 2.753 2.810 1.00 0.00 N ATOM 716 CA GLU C 7 10.247 3.158 2.396 1.00 0.00 C ATOM 717 C GLU C 7 9.254 2.033 2.678 1.00 0.00 C ATOM 718 O GLU C 7 8.114 2.277 3.068 1.00 0.00 O ATOM 719 CB GLU C 7 10.231 3.509 0.902 1.00 0.00 C ATOM 720 CG GLU C 7 8.840 4.015 0.496 1.00 0.00 C ATOM 721 CD GLU C 7 8.539 5.332 1.207 1.00 0.00 C ATOM 722 OE1 GLU C 7 7.373 5.673 1.318 1.00 0.00 O ATOM 723 OE2 GLU C 7 9.482 5.980 1.628 1.00 0.00 O ATOM 0 H GLU C 7 12.254 2.658 2.047 1.00 0.00 H new ATOM 0 HA GLU C 7 9.958 4.042 2.964 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.980 4.272 0.691 1.00 0.00 H new ATOM 0 HB3 GLU C 7 10.495 2.632 0.311 1.00 0.00 H new ATOM 0 HG2 GLU C 7 8.796 4.156 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU C 7 8.084 3.272 0.752 1.00 0.00 H new ATOM 730 N ILE C 8 9.699 0.801 2.455 1.00 0.00 N ATOM 731 CA ILE C 8 8.837 -0.364 2.664 1.00 0.00 C ATOM 732 C ILE C 8 8.435 -0.454 4.131 1.00 0.00 C ATOM 733 O ILE C 8 7.281 -0.737 4.454 1.00 0.00 O ATOM 734 CB ILE C 8 9.577 -1.639 2.261 1.00 0.00 C ATOM 735 CG1 ILE C 8 10.096 -1.500 0.824 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.624 -2.831 2.341 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.970 -1.121 -0.139 1.00 0.00 C ATOM 0 H ILE C 8 10.641 0.581 2.133 1.00 0.00 H new ATOM 0 HA ILE C 8 7.943 -0.256 2.049 1.00 0.00 H new ATOM 0 HB ILE C 8 10.416 -1.797 2.938 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.878 -0.741 0.789 1.00 0.00 H new ATOM 0 HG13 ILE C 8 10.549 -2.439 0.506 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.153 -3.740 2.053 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.255 -2.934 3.361 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.784 -2.671 1.665 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.370 -1.030 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.201 -1.893 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE C 8 8.535 -0.169 0.166 1.00 0.00 H new ATOM 749 N THR C 9 9.389 -0.209 5.019 1.00 0.00 N ATOM 750 CA THR C 9 9.111 -0.262 6.445 1.00 0.00 C ATOM 751 C THR C 9 8.042 0.764 6.811 1.00 0.00 C ATOM 752 O THR C 9 7.134 0.477 7.592 1.00 0.00 O ATOM 753 CB THR C 9 10.390 0.024 7.235 1.00 0.00 C ATOM 754 OG1 THR C 9 11.354 -0.985 6.960 1.00 0.00 O ATOM 755 CG2 THR C 9 10.080 0.046 8.734 1.00 0.00 C ATOM 0 H THR C 9 10.352 0.026 4.779 1.00 0.00 H new ATOM 0 HA THR C 9 8.748 -1.259 6.695 1.00 0.00 H new ATOM 0 HB THR C 9 10.787 0.995 6.938 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.688 -0.877 6.045 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.994 0.250 9.292 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.346 0.825 8.942 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.679 -0.921 9.037 1.00 0.00 H new ATOM 763 N ARG C 10 8.155 1.961 6.247 1.00 0.00 N ATOM 764 CA ARG C 10 7.190 3.016 6.529 1.00 0.00 C ATOM 765 C ARG C 10 5.800 2.583 6.059 1.00 0.00 C ATOM 766 O ARG C 10 4.802 2.809 6.743 1.00 0.00 O ATOM 767 CB ARG C 10 7.596 4.305 5.811 1.00 0.00 C ATOM 768 CG ARG C 10 6.756 5.472 6.340 1.00 0.00 C ATOM 769 CD ARG C 10 7.062 6.731 5.528 1.00 0.00 C ATOM 770 NE ARG C 10 6.460 6.635 4.200 1.00 0.00 N ATOM 771 CZ ARG C 10 5.200 7.005 3.992 1.00 0.00 C ATOM 772 NH1 ARG C 10 4.677 6.906 2.801 1.00 0.00 N ATOM 773 NH2 ARG C 10 4.489 7.471 4.982 1.00 0.00 N ATOM 0 H ARG C 10 8.897 2.223 5.598 1.00 0.00 H new ATOM 0 HA ARG C 10 7.169 3.198 7.603 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.656 4.504 5.971 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.450 4.196 4.736 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.695 5.231 6.271 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.976 5.644 7.394 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.678 7.609 6.047 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.140 6.861 5.438 1.00 0.00 H new ATOM 0 HE ARG C 10 7.014 6.279 3.421 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.235 6.544 2.027 1.00 0.00 H new ATOM 0 HH12 ARG C 10 3.710 7.190 2.643 1.00 0.00 H new ATOM 0 HH21 ARG C 10 4.900 7.551 5.912 1.00 0.00 H new ATOM 0 HH22 ARG C 10 3.522 7.756 4.826 1.00 0.00 H new ATOM 787 N CYS C 11 5.748 1.960 4.884 1.00 0.00 N ATOM 788 CA CYS C 11 4.482 1.492 4.330 1.00 0.00 C ATOM 789 C CYS C 11 3.826 0.489 5.272 1.00 0.00 C ATOM 790 O CYS C 11 2.611 0.513 5.480 1.00 0.00 O ATOM 791 CB CYS C 11 4.720 0.836 2.971 1.00 0.00 C ATOM 792 SG CYS C 11 3.122 0.500 2.181 1.00 0.00 S ATOM 0 H CYS C 11 6.563 1.769 4.301 1.00 0.00 H new ATOM 0 HA CYS C 11 3.819 2.349 4.209 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.321 1.490 2.339 1.00 0.00 H new ATOM 0 HB3 CYS C 11 5.280 -0.091 3.095 1.00 0.00 H new ATOM 797 N LYS C 12 4.640 -0.389 5.843 1.00 0.00 N ATOM 798 CA LYS C 12 4.136 -1.396 6.767 1.00 0.00 C ATOM 799 C LYS C 12 3.495 -0.724 7.977 1.00 0.00 C ATOM 800 O LYS C 12 2.444 -1.151 8.456 1.00 0.00 O ATOM 801 CB LYS C 12 5.279 -2.309 7.226 1.00 0.00 C ATOM 802 CG LYS C 12 4.722 -3.421 8.119 1.00 0.00 C ATOM 803 CD LYS C 12 5.858 -4.354 8.542 1.00 0.00 C ATOM 804 CE LYS C 12 5.301 -5.463 9.436 1.00 0.00 C ATOM 805 NZ LYS C 12 4.338 -6.292 8.656 1.00 0.00 N ATOM 0 H LYS C 12 5.647 -0.425 5.684 1.00 0.00 H new ATOM 0 HA LYS C 12 3.385 -1.996 6.254 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.782 -2.741 6.361 1.00 0.00 H new ATOM 0 HB3 LYS C 12 6.024 -1.730 7.772 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.244 -2.990 8.999 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.956 -3.983 7.584 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.334 -4.786 7.662 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.624 -3.792 9.076 1.00 0.00 H new ATOM 0 HE2 LYS C 12 6.113 -6.086 9.811 1.00 0.00 H new ATOM 0 HE3 LYS C 12 4.805 -5.030 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 4.205 -7.208 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 3.425 -5.798 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 4.711 -6.449 7.698 1.00 0.00 H new ATOM 819 N LYS C 13 4.134 0.327 8.467 1.00 0.00 N ATOM 820 CA LYS C 13 3.621 1.048 9.623 1.00 0.00 C ATOM 821 C LYS C 13 2.264 1.656 9.304 1.00 0.00 C ATOM 822 O LYS C 13 1.356 1.645 10.135 1.00 0.00 O ATOM 823 CB LYS C 13 4.607 2.154 10.015 1.00 0.00 C ATOM 824 CG LYS C 13 5.942 1.552 10.487 1.00 0.00 C ATOM 825 CD LYS C 13 5.773 0.854 11.844 1.00 0.00 C ATOM 826 CE LYS C 13 7.131 0.381 12.344 1.00 0.00 C ATOM 827 NZ LYS C 13 6.954 -0.266 13.671 1.00 0.00 N ATOM 0 H LYS C 13 5.004 0.699 8.085 1.00 0.00 H new ATOM 0 HA LYS C 13 3.506 0.352 10.454 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.780 2.812 9.163 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.178 2.766 10.808 1.00 0.00 H new ATOM 0 HG2 LYS C 13 6.306 0.838 9.748 1.00 0.00 H new ATOM 0 HG3 LYS C 13 6.693 2.338 10.568 1.00 0.00 H new ATOM 0 HD2 LYS C 13 5.327 1.539 12.565 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.094 0.007 11.747 1.00 0.00 H new ATOM 0 HE2 LYS C 13 7.570 -0.323 11.636 1.00 0.00 H new ATOM 0 HE3 LYS C 13 7.818 1.223 12.423 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 7.876 -0.594 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 6.551 0.420 14.341 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 6.311 -1.078 13.578 1.00 0.00 H new ATOM 841 N LEU C 14 2.125 2.178 8.097 1.00 0.00 N ATOM 842 CA LEU C 14 0.865 2.779 7.687 1.00 0.00 C ATOM 843 C LEU C 14 -0.240 1.728 7.668 1.00 0.00 C ATOM 844 O LEU C 14 -1.364 1.982 8.093 1.00 0.00 O ATOM 845 CB LEU C 14 1.020 3.388 6.293 1.00 0.00 C ATOM 846 CG LEU C 14 1.953 4.612 6.354 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.296 5.076 4.924 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.287 5.766 7.134 1.00 0.00 C ATOM 0 H LEU C 14 2.860 2.199 7.390 1.00 0.00 H new ATOM 0 HA LEU C 14 0.596 3.559 8.399 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.425 2.645 5.606 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.045 3.683 5.905 1.00 0.00 H new ATOM 0 HG LEU C 14 2.868 4.327 6.873 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.956 5.942 4.971 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.795 4.268 4.389 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.380 5.346 4.400 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.962 6.621 7.166 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.360 6.054 6.637 1.00 0.00 H new ATOM 0 HD23 LEU C 14 1.068 5.439 8.150 1.00 0.00 H new ATOM 860 N LEU C 15 0.090 0.544 7.175 1.00 0.00 N ATOM 861 CA LEU C 15 -0.878 -0.545 7.113 1.00 0.00 C ATOM 862 C LEU C 15 -1.296 -0.971 8.518 1.00 0.00 C ATOM 863 O LEU C 15 -2.462 -1.261 8.776 1.00 0.00 O ATOM 864 CB LEU C 15 -0.272 -1.730 6.364 1.00 0.00 C ATOM 865 CG LEU C 15 -0.093 -1.361 4.880 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.752 -2.434 4.189 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.463 -1.242 4.172 1.00 0.00 C ATOM 0 H LEU C 15 1.015 0.311 6.813 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.764 -0.198 6.581 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.690 -1.998 6.802 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -0.919 -2.602 6.458 1.00 0.00 H new ATOM 0 HG LEU C 15 0.410 -0.396 4.819 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.880 -2.175 3.138 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.728 -2.494 4.670 1.00 0.00 H new ATOM 0 HD13 LEU C 15 0.250 -3.398 4.266 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.310 -0.981 3.125 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -1.989 -2.195 4.235 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.057 -0.467 4.656 1.00 0.00 H new ATOM 879 N ASP C 16 -0.327 -1.004 9.422 1.00 0.00 N ATOM 880 CA ASP C 16 -0.585 -1.396 10.805 1.00 0.00 C ATOM 881 C ASP C 16 -1.553 -0.421 11.470 1.00 0.00 C ATOM 882 O ASP C 16 -2.352 -0.806 12.323 1.00 0.00 O ATOM 883 CB ASP C 16 0.722 -1.447 11.595 1.00 0.00 C ATOM 884 CG ASP C 16 1.549 -2.651 11.157 1.00 0.00 C ATOM 885 OD1 ASP C 16 2.714 -2.707 11.516 1.00 0.00 O ATOM 886 OD2 ASP C 16 1.008 -3.499 10.466 1.00 0.00 O ATOM 0 H ASP C 16 0.645 -0.765 9.225 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.037 -2.388 10.799 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.288 -0.529 11.437 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.509 -1.510 12.662 1.00 0.00 H new ATOM 891 N ASP C 17 -1.464 0.841 11.074 1.00 0.00 N ATOM 892 CA ASP C 17 -2.320 1.883 11.630 1.00 0.00 C ATOM 893 C ASP C 17 -3.783 1.586 11.313 1.00 0.00 C ATOM 894 O ASP C 17 -4.684 2.260 11.799 1.00 0.00 O ATOM 895 CB ASP C 17 -1.937 3.254 11.068 1.00 0.00 C ATOM 896 CG ASP C 17 -0.594 3.693 11.642 1.00 0.00 C ATOM 897 OD1 ASP C 17 -0.152 3.083 12.600 1.00 0.00 O ATOM 898 OD2 ASP C 17 -0.026 4.635 11.113 1.00 0.00 O ATOM 0 H ASP C 17 -0.806 1.170 10.368 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.183 1.898 12.711 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.880 3.208 9.980 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.705 3.986 11.316 1.00 0.00 H new ATOM 903 N SER C 18 -4.011 0.577 10.483 1.00 0.00 N ATOM 904 CA SER C 18 -5.367 0.214 10.098 1.00 0.00 C ATOM 905 C SER C 18 -6.211 -0.078 11.329 1.00 0.00 C ATOM 906 O SER C 18 -7.411 0.197 11.353 1.00 0.00 O ATOM 907 CB SER C 18 -5.337 -1.025 9.199 1.00 0.00 C ATOM 908 OG SER C 18 -6.662 -1.347 8.793 1.00 0.00 O ATOM 0 H SER C 18 -3.281 -0.000 10.066 1.00 0.00 H new ATOM 0 HA SER C 18 -5.808 1.051 9.556 1.00 0.00 H new ATOM 0 HB2 SER C 18 -4.712 -0.839 8.325 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.895 -1.865 9.734 1.00 0.00 H new ATOM 0 HG SER C 18 -6.644 -2.139 8.216 1.00 0.00 H new ATOM 914 N SER C 19 -5.580 -0.632 12.344 1.00 0.00 N ATOM 915 CA SER C 19 -6.285 -0.960 13.586 1.00 0.00 C ATOM 916 C SER C 19 -6.439 0.276 14.464 1.00 0.00 C ATOM 917 O SER C 19 -7.193 0.274 15.438 1.00 0.00 O ATOM 918 CB SER C 19 -5.524 -2.037 14.358 1.00 0.00 C ATOM 919 OG SER C 19 -5.458 -3.222 13.575 1.00 0.00 O ATOM 0 H SER C 19 -4.587 -0.867 12.343 1.00 0.00 H new ATOM 0 HA SER C 19 -7.275 -1.332 13.322 1.00 0.00 H new ATOM 0 HB2 SER C 19 -4.519 -1.688 14.595 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.022 -2.241 15.306 1.00 0.00 H new ATOM 0 HG SER C 19 -4.969 -3.913 14.068 1.00 0.00 H new ATOM 925 N SER C 20 -5.724 1.327 14.104 1.00 0.00 N ATOM 926 CA SER C 20 -5.786 2.583 14.850 1.00 0.00 C ATOM 927 C SER C 20 -7.033 3.374 14.464 1.00 0.00 C ATOM 928 O SER C 20 -7.522 3.268 13.340 1.00 0.00 O ATOM 929 CB SER C 20 -4.539 3.425 14.577 1.00 0.00 C ATOM 930 OG SER C 20 -4.525 4.542 15.456 1.00 0.00 O ATOM 0 H SER C 20 -5.093 1.342 13.302 1.00 0.00 H new ATOM 0 HA SER C 20 -5.832 2.346 15.913 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.641 2.823 14.720 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.534 3.763 13.541 1.00 0.00 H new ATOM 0 HG SER C 20 -3.953 5.245 15.083 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.841 1.290 -2.151 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.341 1.742 -1.530 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.321 2.127 -0.176 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.880 2.062 0.558 1.00 0.00 C HETATM 941 C5 ZBR A 100 2.060 1.611 -0.065 1.00 0.00 C HETATM 942 C6 ZBR A 100 2.040 1.224 -1.421 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.823 0.877 -3.603 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.588 2.617 0.482 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.347 1.546 0.722 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.953 0.874 -1.902 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.896 2.360 1.606 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.270 1.793 -2.098 1.00 0.00 H new