USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 43:sc= 0.733 USER MOD Set 1.2: A 92 SER OG : rot 129:sc= 0.0255 USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 THR OG1 : rot 88:sc= 1.16 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0667 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= -0.367 (180deg=-1.58!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.2) USER MOD Single : A 20 MET CE :methyl -141:sc= -0.698 (180deg=-5.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 105:sc= -2.06 USER MOD Single : A 32 CYS SG : rot 86:sc= 0.232 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 45 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -15:sc= 1.2 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 82:sc= 1.14 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 138:sc= -1.24 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.841 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -170:sc= -2.14 USER MOD Single : A 95 THR OG1 : rot -16:sc= 0.845 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.158 -33.075 -8.470 1.00 0.00 N ATOM 2 CA GLY A 1 -15.051 -31.843 -7.640 1.00 0.00 C ATOM 3 C GLY A 1 -15.755 -30.656 -8.267 1.00 0.00 C ATOM 4 O GLY A 1 -16.133 -30.699 -9.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.711 -33.791 -7.958 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.631 -32.849 -9.368 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.206 -33.446 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.477 -32.035 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.999 -31.600 -7.491 1.00 0.00 H new ATOM 10 N ILE A 2 -15.932 -29.595 -7.487 1.00 0.00 N ATOM 11 CA ILE A 2 -16.596 -28.392 -7.974 1.00 0.00 C ATOM 12 C ILE A 2 -15.707 -27.162 -7.796 1.00 0.00 C ATOM 13 O ILE A 2 -15.921 -26.356 -6.890 1.00 0.00 O ATOM 14 CB ILE A 2 -17.934 -28.154 -7.246 1.00 0.00 C ATOM 15 CG1 ILE A 2 -17.724 -28.160 -5.730 1.00 0.00 C ATOM 16 CG2 ILE A 2 -18.950 -29.214 -7.647 1.00 0.00 C ATOM 17 CD1 ILE A 2 -18.551 -27.122 -5.003 1.00 0.00 C ATOM 0 H ILE A 2 -15.625 -29.544 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 2 -16.791 -28.546 -9.035 1.00 0.00 H new ATOM 0 HB ILE A 2 -18.320 -27.177 -7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -17.971 -29.148 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -16.669 -27.988 -5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -19.890 -29.033 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -19.118 -29.168 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -18.571 -30.201 -7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -18.352 -27.183 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -18.288 -26.128 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -19.609 -27.306 -5.187 1.00 0.00 H new ATOM 29 N PRO A 3 -14.693 -27.003 -8.663 1.00 0.00 N ATOM 30 CA PRO A 3 -13.769 -25.865 -8.598 1.00 0.00 C ATOM 31 C PRO A 3 -14.501 -24.526 -8.576 1.00 0.00 C ATOM 32 O PRO A 3 -14.108 -23.605 -7.862 1.00 0.00 O ATOM 33 CB PRO A 3 -12.941 -26.002 -9.878 1.00 0.00 C ATOM 34 CG PRO A 3 -13.009 -27.449 -10.222 1.00 0.00 C ATOM 35 CD PRO A 3 -14.365 -27.917 -9.773 1.00 0.00 C ATOM 0 HA PRO A 3 -13.171 -25.878 -7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.347 -25.385 -10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.911 -25.681 -9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.878 -27.602 -11.293 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.218 -28.007 -9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.099 -27.852 -10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.343 -28.956 -9.444 1.00 0.00 H new ATOM 43 N GLU A 4 -15.565 -24.428 -9.365 1.00 0.00 N ATOM 44 CA GLU A 4 -16.353 -23.203 -9.437 1.00 0.00 C ATOM 45 C GLU A 4 -15.498 -22.036 -9.921 1.00 0.00 C ATOM 46 O GLU A 4 -14.863 -21.345 -9.125 1.00 0.00 O ATOM 47 CB GLU A 4 -16.953 -22.876 -8.068 1.00 0.00 C ATOM 48 CG GLU A 4 -18.331 -23.479 -7.849 1.00 0.00 C ATOM 49 CD GLU A 4 -19.375 -22.898 -8.783 1.00 0.00 C ATOM 50 OE1 GLU A 4 -19.741 -21.717 -8.602 1.00 0.00 O ATOM 51 OE2 GLU A 4 -19.826 -23.623 -9.694 1.00 0.00 O ATOM 0 H GLU A 4 -15.902 -25.182 -9.964 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.161 -23.361 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.280 -23.236 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.017 -21.794 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.279 -24.558 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.638 -23.310 -6.817 1.00 0.00 H new ATOM 58 N PHE A 5 -15.487 -21.823 -11.234 1.00 0.00 N ATOM 59 CA PHE A 5 -14.710 -20.739 -11.825 1.00 0.00 C ATOM 60 C PHE A 5 -15.332 -19.385 -11.504 1.00 0.00 C ATOM 61 O PHE A 5 -16.304 -18.971 -12.135 1.00 0.00 O ATOM 62 CB PHE A 5 -14.614 -20.922 -13.341 1.00 0.00 C ATOM 63 CG PHE A 5 -13.414 -20.256 -13.950 1.00 0.00 C ATOM 64 CD1 PHE A 5 -13.224 -18.888 -13.824 1.00 0.00 C ATOM 65 CD2 PHE A 5 -12.474 -20.996 -14.649 1.00 0.00 C ATOM 66 CE1 PHE A 5 -12.121 -18.273 -14.382 1.00 0.00 C ATOM 67 CE2 PHE A 5 -11.369 -20.387 -15.210 1.00 0.00 C ATOM 68 CZ PHE A 5 -11.191 -19.023 -15.076 1.00 0.00 C ATOM 0 H PHE A 5 -16.007 -22.386 -11.907 1.00 0.00 H new ATOM 0 HA PHE A 5 -13.708 -20.768 -11.397 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -14.583 -21.987 -13.569 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -15.516 -20.523 -13.805 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -13.948 -18.297 -13.283 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -12.607 -22.062 -14.756 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -11.985 -17.207 -14.276 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.645 -20.976 -15.753 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.327 -18.544 -15.513 1.00 0.00 H new ATOM 78 N LYS A 6 -14.765 -18.698 -10.516 1.00 0.00 N ATOM 79 CA LYS A 6 -15.263 -17.388 -10.112 1.00 0.00 C ATOM 80 C LYS A 6 -14.117 -16.480 -9.680 1.00 0.00 C ATOM 81 O LYS A 6 -13.811 -16.370 -8.493 1.00 0.00 O ATOM 82 CB LYS A 6 -16.274 -17.534 -8.973 1.00 0.00 C ATOM 83 CG LYS A 6 -17.468 -16.602 -9.098 1.00 0.00 C ATOM 84 CD LYS A 6 -17.161 -15.222 -8.538 1.00 0.00 C ATOM 85 CE LYS A 6 -17.951 -14.944 -7.269 1.00 0.00 C ATOM 86 NZ LYS A 6 -19.394 -15.275 -7.428 1.00 0.00 N ATOM 0 H LYS A 6 -13.961 -19.027 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.757 -16.933 -10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.629 -18.564 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.771 -17.342 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.754 -16.515 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.320 -17.029 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.094 -15.143 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.395 -14.465 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.534 -15.526 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.847 -13.893 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.963 -14.641 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.670 -15.155 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.558 -16.261 -7.139 1.00 0.00 H new ATOM 100 N GLN A 7 -13.485 -15.831 -10.653 1.00 0.00 N ATOM 101 CA GLN A 7 -12.372 -14.931 -10.375 1.00 0.00 C ATOM 102 C GLN A 7 -12.470 -13.667 -11.222 1.00 0.00 C ATOM 103 O GLN A 7 -12.070 -13.655 -12.387 1.00 0.00 O ATOM 104 CB GLN A 7 -11.041 -15.636 -10.641 1.00 0.00 C ATOM 105 CG GLN A 7 -11.014 -16.409 -11.949 1.00 0.00 C ATOM 106 CD GLN A 7 -9.606 -16.711 -12.421 1.00 0.00 C ATOM 107 OE1 GLN A 7 -9.146 -16.167 -13.425 1.00 0.00 O ATOM 108 NE2 GLN A 7 -8.913 -17.580 -11.697 1.00 0.00 N ATOM 0 H GLN A 7 -13.725 -15.912 -11.641 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.421 -14.646 -9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.242 -14.895 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.831 -16.321 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.560 -17.344 -11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.535 -15.836 -12.716 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.334 -18.007 -10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.959 -17.821 -11.965 1.00 0.00 H new ATOM 117 N LYS A 8 -13.002 -12.604 -10.628 1.00 0.00 N ATOM 118 CA LYS A 8 -13.153 -11.332 -11.328 1.00 0.00 C ATOM 119 C LYS A 8 -13.677 -10.254 -10.384 1.00 0.00 C ATOM 120 O LYS A 8 -13.114 -9.163 -10.299 1.00 0.00 O ATOM 121 CB LYS A 8 -14.101 -11.490 -12.518 1.00 0.00 C ATOM 122 CG LYS A 8 -15.401 -12.195 -12.173 1.00 0.00 C ATOM 123 CD LYS A 8 -15.900 -13.042 -13.333 1.00 0.00 C ATOM 124 CE LYS A 8 -16.402 -12.178 -14.477 1.00 0.00 C ATOM 125 NZ LYS A 8 -16.490 -12.941 -15.752 1.00 0.00 N ATOM 0 H LYS A 8 -13.336 -12.597 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.173 -11.026 -11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.329 -10.504 -12.923 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.593 -12.048 -13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.252 -12.827 -11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.158 -11.456 -11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.095 -13.686 -13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.702 -13.695 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.384 -11.777 -14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.734 -11.327 -14.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.836 -12.316 -16.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.548 -13.302 -16.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.147 -13.739 -15.635 1.00 0.00 H new ATOM 139 N ALA A 9 -14.758 -10.567 -9.678 1.00 0.00 N ATOM 140 CA ALA A 9 -15.359 -9.626 -8.742 1.00 0.00 C ATOM 141 C ALA A 9 -16.304 -10.338 -7.778 1.00 0.00 C ATOM 142 O ALA A 9 -17.253 -10.998 -8.200 1.00 0.00 O ATOM 143 CB ALA A 9 -16.097 -8.530 -9.495 1.00 0.00 C ATOM 0 H ALA A 9 -15.236 -11.466 -9.737 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.559 -9.173 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.541 -7.835 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.397 -7.995 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.883 -8.974 -10.106 1.00 0.00 H new ATOM 149 N LEU A 10 -16.038 -10.198 -6.484 1.00 0.00 N ATOM 150 CA LEU A 10 -16.865 -10.828 -5.461 1.00 0.00 C ATOM 151 C LEU A 10 -16.929 -9.965 -4.205 1.00 0.00 C ATOM 152 O LEU A 10 -15.901 -9.551 -3.670 1.00 0.00 O ATOM 153 CB LEU A 10 -16.316 -12.213 -5.114 1.00 0.00 C ATOM 154 CG LEU A 10 -14.816 -12.260 -4.820 1.00 0.00 C ATOM 155 CD1 LEU A 10 -14.465 -13.518 -4.041 1.00 0.00 C ATOM 156 CD2 LEU A 10 -14.019 -12.190 -6.112 1.00 0.00 C ATOM 0 H LEU A 10 -15.256 -9.654 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 10 -17.874 -10.933 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.853 -12.593 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.530 -12.890 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.556 -11.395 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.394 -13.535 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.011 -13.526 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.739 -14.396 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.954 -12.225 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.282 -13.035 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.249 -11.260 -6.631 1.00 0.00 H new ATOM 168 N VAL A 11 -18.145 -9.699 -3.738 1.00 0.00 N ATOM 169 CA VAL A 11 -18.346 -8.887 -2.545 1.00 0.00 C ATOM 170 C VAL A 11 -19.133 -9.649 -1.485 1.00 0.00 C ATOM 171 O VAL A 11 -18.769 -9.652 -0.309 1.00 0.00 O ATOM 172 CB VAL A 11 -19.088 -7.578 -2.874 1.00 0.00 C ATOM 173 CG1 VAL A 11 -18.198 -6.647 -3.685 1.00 0.00 C ATOM 174 CG2 VAL A 11 -20.382 -7.872 -3.618 1.00 0.00 C ATOM 0 H VAL A 11 -19.006 -10.035 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.356 -8.648 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.338 -7.078 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.740 -5.728 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.302 -6.410 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -17.914 -7.136 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.893 -6.936 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.157 -8.394 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.025 -8.497 -2.998 1.00 0.00 H new ATOM 184 N ALA A 12 -20.215 -10.295 -1.909 1.00 0.00 N ATOM 185 CA ALA A 12 -21.057 -11.063 -0.999 1.00 0.00 C ATOM 186 C ALA A 12 -21.722 -10.155 0.032 1.00 0.00 C ATOM 187 O ALA A 12 -22.896 -9.809 -0.100 1.00 0.00 O ATOM 188 CB ALA A 12 -20.238 -12.146 -0.307 1.00 0.00 C ATOM 0 H ALA A 12 -20.529 -10.302 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.844 -11.539 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.880 -12.711 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.818 -12.818 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.430 -11.684 0.261 1.00 0.00 H new ATOM 194 N LYS A 13 -20.966 -9.775 1.058 1.00 0.00 N ATOM 195 CA LYS A 13 -21.487 -8.908 2.108 1.00 0.00 C ATOM 196 C LYS A 13 -20.432 -7.902 2.557 1.00 0.00 C ATOM 197 O LYS A 13 -19.235 -8.184 2.519 1.00 0.00 O ATOM 198 CB LYS A 13 -21.951 -9.743 3.304 1.00 0.00 C ATOM 199 CG LYS A 13 -22.831 -8.974 4.278 1.00 0.00 C ATOM 200 CD LYS A 13 -23.343 -9.872 5.395 1.00 0.00 C ATOM 201 CE LYS A 13 -22.739 -9.493 6.738 1.00 0.00 C ATOM 202 NZ LYS A 13 -22.987 -10.536 7.772 1.00 0.00 N ATOM 0 H LYS A 13 -19.993 -10.053 1.184 1.00 0.00 H new ATOM 0 HA LYS A 13 -22.337 -8.360 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.500 -10.611 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.077 -10.118 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.265 -8.146 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.675 -8.540 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.429 -9.801 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.103 -10.910 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.665 -9.343 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.160 -8.544 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -22.560 -10.240 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.011 -10.662 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -22.563 -11.435 7.467 1.00 0.00 H new ATOM 216 N VAL A 14 -20.887 -6.727 2.981 1.00 0.00 N ATOM 217 CA VAL A 14 -19.983 -5.678 3.436 1.00 0.00 C ATOM 218 C VAL A 14 -19.031 -5.250 2.324 1.00 0.00 C ATOM 219 O VAL A 14 -18.764 -6.012 1.395 1.00 0.00 O ATOM 220 CB VAL A 14 -19.157 -6.136 4.654 1.00 0.00 C ATOM 221 CG1 VAL A 14 -18.371 -4.970 5.236 1.00 0.00 C ATOM 222 CG2 VAL A 14 -20.062 -6.758 5.707 1.00 0.00 C ATOM 0 H VAL A 14 -21.875 -6.478 3.019 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.605 -4.831 3.725 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.446 -6.894 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.794 -5.313 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.694 -4.574 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.061 -4.187 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -19.463 -7.076 6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -20.798 -6.023 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.575 -7.621 5.282 1.00 0.00 H new ATOM 232 N SER A 15 -18.523 -4.027 2.425 1.00 0.00 N ATOM 233 CA SER A 15 -17.599 -3.499 1.428 1.00 0.00 C ATOM 234 C SER A 15 -16.234 -4.169 1.541 1.00 0.00 C ATOM 235 O SER A 15 -15.670 -4.271 2.631 1.00 0.00 O ATOM 236 CB SER A 15 -17.452 -1.984 1.591 1.00 0.00 C ATOM 237 OG SER A 15 -18.667 -1.318 1.293 1.00 0.00 O ATOM 0 H SER A 15 -18.735 -3.383 3.187 1.00 0.00 H new ATOM 0 HA SER A 15 -18.008 -3.714 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.148 -1.753 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.663 -1.619 0.933 1.00 0.00 H new ATOM 0 HG SER A 15 -18.547 -0.352 1.406 1.00 0.00 H new ATOM 243 N GLN A 16 -15.709 -4.624 0.409 1.00 0.00 N ATOM 244 CA GLN A 16 -14.410 -5.286 0.382 1.00 0.00 C ATOM 245 C GLN A 16 -13.276 -4.264 0.386 1.00 0.00 C ATOM 246 O GLN A 16 -12.184 -4.539 0.880 1.00 0.00 O ATOM 247 CB GLN A 16 -14.300 -6.185 -0.852 1.00 0.00 C ATOM 248 CG GLN A 16 -13.828 -7.595 -0.537 1.00 0.00 C ATOM 249 CD GLN A 16 -14.976 -8.552 -0.285 1.00 0.00 C ATOM 250 OE1 GLN A 16 -15.292 -9.395 -1.124 1.00 0.00 O ATOM 251 NE2 GLN A 16 -15.609 -8.423 0.875 1.00 0.00 N ATOM 0 H GLN A 16 -16.162 -4.547 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.323 -5.899 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.273 -6.237 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.610 -5.730 -1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.226 -7.966 -1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.181 -7.570 0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.313 -7.710 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.392 -9.037 1.100 1.00 0.00 H new ATOM 260 N ARG A 17 -13.544 -3.086 -0.169 1.00 0.00 N ATOM 261 CA ARG A 17 -12.545 -2.025 -0.231 1.00 0.00 C ATOM 262 C ARG A 17 -12.061 -1.645 1.167 1.00 0.00 C ATOM 263 O ARG A 17 -10.860 -1.519 1.405 1.00 0.00 O ATOM 264 CB ARG A 17 -13.120 -0.796 -0.940 1.00 0.00 C ATOM 265 CG ARG A 17 -12.199 -0.223 -2.005 1.00 0.00 C ATOM 266 CD ARG A 17 -10.989 0.457 -1.388 1.00 0.00 C ATOM 267 NE ARG A 17 -11.326 1.756 -0.810 1.00 0.00 N ATOM 268 CZ ARG A 17 -11.482 2.868 -1.525 1.00 0.00 C ATOM 269 NH1 ARG A 17 -11.332 2.842 -2.844 1.00 0.00 N ATOM 270 NH2 ARG A 17 -11.788 4.007 -0.920 1.00 0.00 N ATOM 0 H ARG A 17 -14.444 -2.842 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.692 -2.397 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.071 -1.064 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.330 -0.024 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.869 -1.021 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.749 0.494 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.567 -0.185 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.219 0.587 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.449 1.814 0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.096 1.968 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.452 3.696 -3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.904 4.031 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.908 4.859 -1.468 1.00 0.00 H new ATOM 284 N GLU A 18 -13.004 -1.464 2.087 1.00 0.00 N ATOM 285 CA GLU A 18 -12.671 -1.099 3.459 1.00 0.00 C ATOM 286 C GLU A 18 -11.833 -2.187 4.124 1.00 0.00 C ATOM 287 O GLU A 18 -10.946 -1.900 4.930 1.00 0.00 O ATOM 288 CB GLU A 18 -13.948 -0.857 4.268 1.00 0.00 C ATOM 289 CG GLU A 18 -14.381 0.600 4.298 1.00 0.00 C ATOM 290 CD GLU A 18 -15.326 0.903 5.445 1.00 0.00 C ATOM 291 OE1 GLU A 18 -15.052 0.450 6.576 1.00 0.00 O ATOM 292 OE2 GLU A 18 -16.340 1.593 5.211 1.00 0.00 O ATOM 0 H GLU A 18 -14.003 -1.564 1.907 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.085 -0.180 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.754 -1.459 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.792 -1.202 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.499 1.236 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.867 0.850 3.355 1.00 0.00 H new ATOM 299 N GLU A 19 -12.117 -3.437 3.780 1.00 0.00 N ATOM 300 CA GLU A 19 -11.390 -4.568 4.342 1.00 0.00 C ATOM 301 C GLU A 19 -9.999 -4.689 3.723 1.00 0.00 C ATOM 302 O GLU A 19 -9.093 -5.269 4.320 1.00 0.00 O ATOM 303 CB GLU A 19 -12.176 -5.865 4.121 1.00 0.00 C ATOM 304 CG GLU A 19 -12.360 -6.688 5.385 1.00 0.00 C ATOM 305 CD GLU A 19 -13.035 -8.020 5.120 1.00 0.00 C ATOM 306 OE1 GLU A 19 -12.432 -8.862 4.423 1.00 0.00 O ATOM 307 OE2 GLU A 19 -14.167 -8.219 5.610 1.00 0.00 O ATOM 0 H GLU A 19 -12.846 -3.693 3.114 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.274 -4.397 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.156 -5.621 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.660 -6.470 3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.387 -6.863 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.954 -6.120 6.101 1.00 0.00 H new ATOM 314 N MET A 20 -9.838 -4.137 2.523 1.00 0.00 N ATOM 315 CA MET A 20 -8.557 -4.187 1.828 1.00 0.00 C ATOM 316 C MET A 20 -7.575 -3.178 2.415 1.00 0.00 C ATOM 317 O MET A 20 -6.439 -3.524 2.739 1.00 0.00 O ATOM 318 CB MET A 20 -8.753 -3.920 0.334 1.00 0.00 C ATOM 319 CG MET A 20 -9.344 -5.098 -0.422 1.00 0.00 C ATOM 320 SD MET A 20 -8.267 -6.544 -0.407 1.00 0.00 S ATOM 321 CE MET A 20 -6.778 -5.867 -1.137 1.00 0.00 C ATOM 0 H MET A 20 -10.577 -3.652 2.014 1.00 0.00 H new ATOM 0 HA MET A 20 -8.141 -5.186 1.960 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.405 -3.056 0.210 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.792 -3.660 -0.109 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.306 -5.362 0.018 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.536 -4.803 -1.454 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.331 -6.605 -1.803 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.026 -4.970 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.069 -5.614 -0.349 1.00 0.00 H new ATOM 331 N VAL A 21 -8.015 -1.929 2.552 1.00 0.00 N ATOM 332 CA VAL A 21 -7.161 -0.880 3.102 1.00 0.00 C ATOM 333 C VAL A 21 -6.660 -1.262 4.489 1.00 0.00 C ATOM 334 O VAL A 21 -5.494 -1.046 4.823 1.00 0.00 O ATOM 335 CB VAL A 21 -7.896 0.473 3.186 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.410 0.884 1.819 1.00 0.00 C ATOM 337 CG2 VAL A 21 -9.038 0.414 4.190 1.00 0.00 C ATOM 0 H VAL A 21 -8.952 -1.620 2.292 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.315 -0.774 2.423 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.184 1.223 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.926 1.841 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.572 0.979 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.102 0.128 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.539 1.381 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.751 -0.352 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.643 0.170 5.176 1.00 0.00 H new ATOM 347 N LYS A 22 -7.547 -1.835 5.294 1.00 0.00 N ATOM 348 CA LYS A 22 -7.189 -2.250 6.640 1.00 0.00 C ATOM 349 C LYS A 22 -6.140 -3.356 6.594 1.00 0.00 C ATOM 350 O LYS A 22 -5.194 -3.367 7.384 1.00 0.00 O ATOM 351 CB LYS A 22 -8.426 -2.728 7.400 1.00 0.00 C ATOM 352 CG LYS A 22 -9.442 -1.626 7.661 1.00 0.00 C ATOM 353 CD LYS A 22 -8.913 -0.601 8.654 1.00 0.00 C ATOM 354 CE LYS A 22 -9.027 0.814 8.112 1.00 0.00 C ATOM 355 NZ LYS A 22 -10.426 1.318 8.169 1.00 0.00 N ATOM 0 H LYS A 22 -8.516 -2.021 5.037 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.769 -1.391 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.905 -3.526 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.114 -3.157 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.691 -1.130 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.364 -2.063 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.468 -0.679 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.870 -0.820 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.379 1.476 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.674 0.838 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.462 2.286 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.041 0.701 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.754 1.320 9.156 1.00 0.00 H new ATOM 369 N LYS A 23 -6.314 -4.284 5.656 1.00 0.00 N ATOM 370 CA LYS A 23 -5.382 -5.392 5.495 1.00 0.00 C ATOM 371 C LYS A 23 -3.982 -4.876 5.177 1.00 0.00 C ATOM 372 O LYS A 23 -2.984 -5.516 5.507 1.00 0.00 O ATOM 373 CB LYS A 23 -5.858 -6.333 4.385 1.00 0.00 C ATOM 374 CG LYS A 23 -5.652 -7.805 4.705 1.00 0.00 C ATOM 375 CD LYS A 23 -5.768 -8.668 3.459 1.00 0.00 C ATOM 376 CE LYS A 23 -6.513 -9.962 3.745 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.974 -11.101 2.951 1.00 0.00 N ATOM 0 H LYS A 23 -7.092 -4.289 4.997 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.344 -5.944 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.917 -6.155 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.327 -6.092 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.670 -7.946 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.390 -8.125 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.287 -8.113 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.772 -8.897 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.442 -10.194 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.571 -9.830 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.509 -11.964 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.065 -10.891 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.971 -11.244 3.186 1.00 0.00 H new ATOM 391 N CYS A 24 -3.918 -3.712 4.539 1.00 0.00 N ATOM 392 CA CYS A 24 -2.641 -3.105 4.183 1.00 0.00 C ATOM 393 C CYS A 24 -1.905 -2.638 5.435 1.00 0.00 C ATOM 394 O CYS A 24 -0.682 -2.740 5.524 1.00 0.00 O ATOM 395 CB CYS A 24 -2.862 -1.927 3.226 1.00 0.00 C ATOM 396 SG CYS A 24 -1.408 -0.875 2.978 1.00 0.00 S ATOM 0 H CYS A 24 -4.735 -3.170 4.258 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.029 -3.854 3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.182 -2.316 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.678 -1.313 3.608 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.890 -1.118 1.811 1.00 0.00 H new ATOM 402 N LEU A 25 -2.660 -2.125 6.401 1.00 0.00 N ATOM 403 CA LEU A 25 -2.081 -1.644 7.648 1.00 0.00 C ATOM 404 C LEU A 25 -1.351 -2.767 8.376 1.00 0.00 C ATOM 405 O LEU A 25 -0.232 -2.585 8.858 1.00 0.00 O ATOM 406 CB LEU A 25 -3.167 -1.057 8.547 1.00 0.00 C ATOM 407 CG LEU A 25 -2.675 -0.016 9.555 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.611 1.180 9.592 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.543 -0.637 10.939 1.00 0.00 C ATOM 0 H LEU A 25 -3.674 -2.032 6.343 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.360 -0.863 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.931 -0.600 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.647 -1.870 9.091 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.692 0.332 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.243 1.908 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.654 1.639 8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.609 0.852 9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.192 0.117 11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.513 -1.013 11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.829 -1.460 10.902 1.00 0.00 H new ATOM 421 N GLY A 26 -1.992 -3.929 8.458 1.00 0.00 N ATOM 422 CA GLY A 26 -1.389 -5.064 9.133 1.00 0.00 C ATOM 423 C GLY A 26 -0.300 -5.728 8.310 1.00 0.00 C ATOM 424 O GLY A 26 0.759 -6.074 8.833 1.00 0.00 O ATOM 0 H GLY A 26 -2.918 -4.105 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.970 -4.735 10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.162 -5.797 9.363 1.00 0.00 H new ATOM 428 N GLU A 27 -0.561 -5.910 7.020 1.00 0.00 N ATOM 429 CA GLU A 27 0.404 -6.542 6.126 1.00 0.00 C ATOM 430 C GLU A 27 1.715 -5.763 6.098 1.00 0.00 C ATOM 431 O GLU A 27 2.791 -6.334 6.282 1.00 0.00 O ATOM 432 CB GLU A 27 -0.170 -6.645 4.712 1.00 0.00 C ATOM 433 CG GLU A 27 -1.289 -7.665 4.585 1.00 0.00 C ATOM 434 CD GLU A 27 -0.833 -8.955 3.933 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.661 -8.968 2.697 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.647 -9.954 4.660 1.00 0.00 O ATOM 0 H GLU A 27 -1.432 -5.629 6.570 1.00 0.00 H new ATOM 0 HA GLU A 27 0.606 -7.544 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.544 -5.667 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.631 -6.908 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.689 -7.885 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.102 -7.235 4.001 1.00 0.00 H new ATOM 443 N LEU A 28 1.620 -4.459 5.866 1.00 0.00 N ATOM 444 CA LEU A 28 2.799 -3.605 5.812 1.00 0.00 C ATOM 445 C LEU A 28 3.568 -3.649 7.129 1.00 0.00 C ATOM 446 O LEU A 28 4.784 -3.466 7.153 1.00 0.00 O ATOM 447 CB LEU A 28 2.401 -2.165 5.485 1.00 0.00 C ATOM 448 CG LEU A 28 2.254 -1.857 3.994 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.957 -0.381 3.781 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.511 -2.266 3.236 1.00 0.00 C ATOM 0 H LEU A 28 0.738 -3.970 5.712 1.00 0.00 H new ATOM 0 HA LEU A 28 3.450 -3.981 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.456 -1.944 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.148 -1.493 5.907 1.00 0.00 H new ATOM 0 HG LEU A 28 1.416 -2.435 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.856 -0.180 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.029 -0.120 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.773 0.217 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.387 -2.039 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.367 -1.716 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.679 -3.336 3.361 1.00 0.00 H new ATOM 462 N THR A 29 2.854 -3.897 8.223 1.00 0.00 N ATOM 463 CA THR A 29 3.482 -3.970 9.537 1.00 0.00 C ATOM 464 C THR A 29 4.503 -5.099 9.582 1.00 0.00 C ATOM 465 O THR A 29 5.580 -4.954 10.160 1.00 0.00 O ATOM 466 CB THR A 29 2.426 -4.177 10.625 1.00 0.00 C ATOM 467 OG1 THR A 29 1.445 -3.157 10.573 1.00 0.00 O ATOM 468 CG2 THR A 29 3.003 -4.186 12.023 1.00 0.00 C ATOM 0 H THR A 29 1.846 -4.050 8.226 1.00 0.00 H new ATOM 0 HA THR A 29 3.996 -3.026 9.720 1.00 0.00 H new ATOM 0 HB THR A 29 1.990 -5.155 10.422 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.731 -3.421 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.202 -4.337 12.746 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.729 -4.994 12.112 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.495 -3.233 12.220 1.00 0.00 H new ATOM 476 N GLU A 30 4.160 -6.227 8.965 1.00 0.00 N ATOM 477 CA GLU A 30 5.049 -7.381 8.931 1.00 0.00 C ATOM 478 C GLU A 30 6.311 -7.071 8.132 1.00 0.00 C ATOM 479 O GLU A 30 7.424 -7.161 8.652 1.00 0.00 O ATOM 480 CB GLU A 30 4.330 -8.588 8.325 1.00 0.00 C ATOM 481 CG GLU A 30 3.342 -9.247 9.272 1.00 0.00 C ATOM 482 CD GLU A 30 2.043 -9.630 8.588 1.00 0.00 C ATOM 483 OE1 GLU A 30 2.039 -9.743 7.345 1.00 0.00 O ATOM 484 OE2 GLU A 30 1.031 -9.816 9.296 1.00 0.00 O ATOM 0 H GLU A 30 3.272 -6.365 8.482 1.00 0.00 H new ATOM 0 HA GLU A 30 5.338 -7.617 9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.802 -8.272 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.072 -9.325 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.797 -10.138 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.127 -8.568 10.097 1.00 0.00 H new ATOM 491 N VAL A 31 6.132 -6.702 6.867 1.00 0.00 N ATOM 492 CA VAL A 31 7.259 -6.376 5.997 1.00 0.00 C ATOM 493 C VAL A 31 8.165 -5.333 6.645 1.00 0.00 C ATOM 494 O VAL A 31 9.381 -5.348 6.451 1.00 0.00 O ATOM 495 CB VAL A 31 6.777 -5.854 4.630 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.834 -4.681 4.816 1.00 0.00 C ATOM 497 CG2 VAL A 31 7.957 -5.468 3.746 1.00 0.00 C ATOM 0 H VAL A 31 5.218 -6.621 6.421 1.00 0.00 H new ATOM 0 HA VAL A 31 7.824 -7.296 5.844 1.00 0.00 H new ATOM 0 HB VAL A 31 6.235 -6.656 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.502 -4.323 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.970 -4.998 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.351 -3.878 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.589 -5.103 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.537 -4.685 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.590 -6.340 3.583 1.00 0.00 H new ATOM 507 N CYS A 32 7.567 -4.432 7.416 1.00 0.00 N ATOM 508 CA CYS A 32 8.322 -3.386 8.095 1.00 0.00 C ATOM 509 C CYS A 32 9.301 -3.991 9.095 1.00 0.00 C ATOM 510 O CYS A 32 10.503 -3.729 9.038 1.00 0.00 O ATOM 511 CB CYS A 32 7.372 -2.425 8.810 1.00 0.00 C ATOM 512 SG CYS A 32 6.719 -1.109 7.755 1.00 0.00 S ATOM 0 H CYS A 32 6.562 -4.405 7.586 1.00 0.00 H new ATOM 0 HA CYS A 32 8.888 -2.833 7.346 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.538 -2.994 9.220 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.896 -1.974 9.653 1.00 0.00 H new ATOM 0 HG CYS A 32 5.661 -1.537 7.133 1.00 0.00 H new ATOM 518 N LYS A 33 8.780 -4.803 10.012 1.00 0.00 N ATOM 519 CA LYS A 33 9.611 -5.447 11.023 1.00 0.00 C ATOM 520 C LYS A 33 10.692 -6.303 10.375 1.00 0.00 C ATOM 521 O LYS A 33 11.862 -6.238 10.755 1.00 0.00 O ATOM 522 CB LYS A 33 8.749 -6.309 11.948 1.00 0.00 C ATOM 523 CG LYS A 33 7.482 -5.617 12.423 1.00 0.00 C ATOM 524 CD LYS A 33 7.190 -5.925 13.884 1.00 0.00 C ATOM 525 CE LYS A 33 6.260 -4.890 14.496 1.00 0.00 C ATOM 526 NZ LYS A 33 6.643 -4.560 15.897 1.00 0.00 N ATOM 0 H LYS A 33 7.787 -5.030 10.075 1.00 0.00 H new ATOM 0 HA LYS A 33 10.095 -4.666 11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.477 -7.227 11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.341 -6.599 12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.584 -4.540 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.640 -5.936 11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.739 -6.914 13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.124 -5.953 14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.278 -3.983 13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.237 -5.265 14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.985 -3.851 16.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.602 -5.420 16.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.610 -4.178 15.912 1.00 0.00 H new ATOM 540 N SER A 34 10.295 -7.105 9.392 1.00 0.00 N ATOM 541 CA SER A 34 11.232 -7.973 8.685 1.00 0.00 C ATOM 542 C SER A 34 12.371 -7.160 8.080 1.00 0.00 C ATOM 543 O SER A 34 13.495 -7.646 7.952 1.00 0.00 O ATOM 544 CB SER A 34 10.508 -8.756 7.590 1.00 0.00 C ATOM 545 OG SER A 34 11.408 -9.589 6.878 1.00 0.00 O ATOM 0 H SER A 34 9.331 -7.172 9.066 1.00 0.00 H new ATOM 0 HA SER A 34 11.653 -8.676 9.404 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.719 -9.363 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.027 -8.063 6.901 1.00 0.00 H new ATOM 0 HG SER A 34 10.920 -10.080 6.184 1.00 0.00 H new ATOM 551 N LEU A 35 12.073 -5.920 7.709 1.00 0.00 N ATOM 552 CA LEU A 35 13.070 -5.036 7.119 1.00 0.00 C ATOM 553 C LEU A 35 13.995 -4.470 8.192 1.00 0.00 C ATOM 554 O LEU A 35 15.154 -4.159 7.924 1.00 0.00 O ATOM 555 CB LEU A 35 12.387 -3.893 6.364 1.00 0.00 C ATOM 556 CG LEU A 35 11.884 -4.248 4.964 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.298 -3.022 4.278 1.00 0.00 C ATOM 558 CD2 LEU A 35 13.008 -4.844 4.130 1.00 0.00 C ATOM 0 H LEU A 35 11.147 -5.504 7.807 1.00 0.00 H new ATOM 0 HA LEU A 35 13.667 -5.619 6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.544 -3.540 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.089 -3.063 6.281 1.00 0.00 H new ATOM 0 HG LEU A 35 11.095 -4.994 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.946 -3.295 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.464 -2.640 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.064 -2.252 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.633 -5.091 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.819 -4.121 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.379 -5.748 4.613 1.00 0.00 H new ATOM 570 N GLY A 36 13.471 -4.337 9.408 1.00 0.00 N ATOM 571 CA GLY A 36 14.265 -3.807 10.500 1.00 0.00 C ATOM 572 C GLY A 36 15.243 -4.822 11.057 1.00 0.00 C ATOM 573 O GLY A 36 16.424 -4.522 11.237 1.00 0.00 O ATOM 0 H GLY A 36 12.513 -4.586 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.814 -2.932 10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.602 -3.472 11.297 1.00 0.00 H new ATOM 577 N LYS A 37 14.752 -6.025 11.333 1.00 0.00 N ATOM 578 CA LYS A 37 15.593 -7.089 11.874 1.00 0.00 C ATOM 579 C LYS A 37 16.789 -7.362 10.966 1.00 0.00 C ATOM 580 O LYS A 37 17.810 -7.887 11.413 1.00 0.00 O ATOM 581 CB LYS A 37 14.774 -8.368 12.058 1.00 0.00 C ATOM 582 CG LYS A 37 13.863 -8.684 10.883 1.00 0.00 C ATOM 583 CD LYS A 37 13.637 -10.181 10.735 1.00 0.00 C ATOM 584 CE LYS A 37 14.437 -10.756 9.577 1.00 0.00 C ATOM 585 NZ LYS A 37 13.666 -11.780 8.819 1.00 0.00 N ATOM 0 H LYS A 37 13.777 -6.289 11.192 1.00 0.00 H new ATOM 0 HA LYS A 37 15.969 -6.761 12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.454 -9.205 12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.170 -8.275 12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.905 -8.183 11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.301 -8.289 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.920 -10.685 11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.576 -10.376 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.729 -9.951 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.356 -11.202 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.248 -12.146 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.409 -12.562 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.802 -11.349 8.433 1.00 0.00 H new ATOM 599 N VAL A 38 16.658 -7.008 9.691 1.00 0.00 N ATOM 600 CA VAL A 38 17.730 -7.219 8.727 1.00 0.00 C ATOM 601 C VAL A 38 18.637 -5.996 8.625 1.00 0.00 C ATOM 602 O VAL A 38 19.826 -6.117 8.331 1.00 0.00 O ATOM 603 CB VAL A 38 17.173 -7.545 7.333 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.460 -8.889 7.341 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.242 -6.442 6.868 1.00 0.00 C ATOM 0 H VAL A 38 15.820 -6.574 9.303 1.00 0.00 H new ATOM 0 HA VAL A 38 18.312 -8.067 9.088 1.00 0.00 H new ATOM 0 HB VAL A 38 18.005 -7.610 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.073 -9.101 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.161 -9.671 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.634 -8.859 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.854 -6.686 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.413 -6.346 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.789 -5.500 6.821 1.00 0.00 H new ATOM 615 N PHE A 39 18.069 -4.819 8.868 1.00 0.00 N ATOM 616 CA PHE A 39 18.831 -3.576 8.800 1.00 0.00 C ATOM 617 C PHE A 39 19.168 -3.049 10.195 1.00 0.00 C ATOM 618 O PHE A 39 19.583 -1.900 10.347 1.00 0.00 O ATOM 619 CB PHE A 39 18.054 -2.520 8.016 1.00 0.00 C ATOM 620 CG PHE A 39 18.162 -2.685 6.526 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.392 -2.596 5.894 1.00 0.00 C ATOM 622 CD2 PHE A 39 17.035 -2.931 5.760 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.495 -2.750 4.524 1.00 0.00 C ATOM 624 CE2 PHE A 39 17.131 -3.085 4.390 1.00 0.00 C ATOM 625 CZ PHE A 39 18.363 -2.994 3.771 1.00 0.00 C ATOM 0 H PHE A 39 17.086 -4.699 9.113 1.00 0.00 H new ATOM 0 HA PHE A 39 19.768 -3.789 8.285 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.004 -2.564 8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.419 -1.531 8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.280 -2.404 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 39 16.070 -3.003 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.459 -2.680 4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.244 -3.276 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.441 -3.113 2.700 1.00 0.00 H new ATOM 635 N GLY A 40 18.993 -3.893 11.209 1.00 0.00 N ATOM 636 CA GLY A 40 19.291 -3.489 12.571 1.00 0.00 C ATOM 637 C GLY A 40 18.563 -2.225 12.989 1.00 0.00 C ATOM 638 O GLY A 40 19.089 -1.429 13.767 1.00 0.00 O ATOM 0 H GLY A 40 18.650 -4.849 11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.022 -4.298 13.251 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.365 -3.333 12.671 1.00 0.00 H new ATOM 642 N VAL A 41 17.352 -2.038 12.475 1.00 0.00 N ATOM 643 CA VAL A 41 16.556 -0.861 12.808 1.00 0.00 C ATOM 644 C VAL A 41 15.190 -1.261 13.356 1.00 0.00 C ATOM 645 O VAL A 41 14.550 -2.181 12.849 1.00 0.00 O ATOM 646 CB VAL A 41 16.364 0.059 11.587 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.690 0.668 11.163 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.729 -0.705 10.435 1.00 0.00 C ATOM 0 H VAL A 41 16.901 -2.684 11.828 1.00 0.00 H new ATOM 0 HA VAL A 41 17.106 -0.315 13.574 1.00 0.00 H new ATOM 0 HB VAL A 41 15.692 0.869 11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.534 1.314 10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.101 1.254 11.985 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.388 -0.127 10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.602 -0.038 9.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.373 -1.537 10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.756 -1.088 10.744 1.00 0.00 H new ATOM 658 N HIS A 42 14.752 -0.562 14.400 1.00 0.00 N ATOM 659 CA HIS A 42 13.465 -0.843 15.027 1.00 0.00 C ATOM 660 C HIS A 42 12.322 -0.738 14.021 1.00 0.00 C ATOM 661 O HIS A 42 12.471 -0.144 12.953 1.00 0.00 O ATOM 662 CB HIS A 42 13.222 0.120 16.191 1.00 0.00 C ATOM 663 CG HIS A 42 13.766 -0.372 17.496 1.00 0.00 C ATOM 664 ND1 HIS A 42 12.971 -0.634 18.592 1.00 0.00 N ATOM 665 CD2 HIS A 42 15.036 -0.650 17.879 1.00 0.00 C ATOM 666 CE1 HIS A 42 13.727 -1.051 19.593 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.982 -1.070 19.186 1.00 0.00 N ATOM 0 H HIS A 42 15.271 0.204 14.830 1.00 0.00 H new ATOM 0 HA HIS A 42 13.494 -1.865 15.404 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.676 1.083 15.957 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.150 0.290 16.294 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.924 -0.559 17.271 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.377 -1.329 20.576 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.783 -1.351 19.751 1.00 0.00 H new ATOM 676 N TYR A 43 11.180 -1.318 14.375 1.00 0.00 N ATOM 677 CA TYR A 43 10.001 -1.295 13.514 1.00 0.00 C ATOM 678 C TYR A 43 9.614 0.139 13.160 1.00 0.00 C ATOM 679 O TYR A 43 9.412 0.467 11.991 1.00 0.00 O ATOM 680 CB TYR A 43 8.833 -2.008 14.212 1.00 0.00 C ATOM 681 CG TYR A 43 7.476 -1.719 13.606 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.238 -1.914 12.252 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.431 -1.250 14.395 1.00 0.00 C ATOM 684 CE1 TYR A 43 6.000 -1.649 11.700 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.190 -0.984 13.850 1.00 0.00 C ATOM 686 CZ TYR A 43 4.979 -1.186 12.503 1.00 0.00 C ATOM 687 OH TYR A 43 3.744 -0.921 11.958 1.00 0.00 O ATOM 0 H TYR A 43 11.045 -1.812 15.257 1.00 0.00 H new ATOM 0 HA TYR A 43 10.236 -1.819 12.588 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.009 -3.083 14.183 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.819 -1.715 15.262 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.034 -2.279 11.620 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.593 -1.091 15.451 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.832 -1.804 10.644 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.389 -0.620 14.476 1.00 0.00 H new ATOM 0 HH TYR A 43 3.138 -0.603 12.660 1.00 0.00 H new ATOM 697 N PHE A 44 9.512 0.989 14.177 1.00 0.00 N ATOM 698 CA PHE A 44 9.150 2.387 13.973 1.00 0.00 C ATOM 699 C PHE A 44 10.147 3.080 13.049 1.00 0.00 C ATOM 700 O PHE A 44 9.804 4.039 12.357 1.00 0.00 O ATOM 701 CB PHE A 44 9.085 3.119 15.313 1.00 0.00 C ATOM 702 CG PHE A 44 7.806 2.882 16.065 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.637 3.521 15.689 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.775 2.016 17.148 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.459 3.305 16.379 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.600 1.795 17.842 1.00 0.00 C ATOM 707 CZ PHE A 44 5.441 2.440 17.457 1.00 0.00 C ATOM 0 H PHE A 44 9.675 0.734 15.151 1.00 0.00 H new ATOM 0 HA PHE A 44 8.167 2.416 13.503 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.925 2.803 15.932 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.202 4.189 15.140 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.646 4.196 14.846 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.679 1.509 17.452 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.554 3.811 16.076 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.588 1.119 18.684 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.522 2.269 17.998 1.00 0.00 H new ATOM 717 N ASN A 45 11.381 2.588 13.040 1.00 0.00 N ATOM 718 CA ASN A 45 12.428 3.161 12.201 1.00 0.00 C ATOM 719 C ASN A 45 12.042 3.095 10.725 1.00 0.00 C ATOM 720 O ASN A 45 12.462 3.933 9.927 1.00 0.00 O ATOM 721 CB ASN A 45 13.751 2.427 12.430 1.00 0.00 C ATOM 722 CG ASN A 45 14.922 3.379 12.578 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.484 3.849 11.590 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.296 3.668 13.820 1.00 0.00 N ATOM 0 H ASN A 45 11.681 1.793 13.604 1.00 0.00 H new ATOM 0 HA ASN A 45 12.549 4.208 12.478 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.671 1.811 13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.938 1.752 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.078 4.303 13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.801 3.255 14.611 1.00 0.00 H new ATOM 731 N ILE A 46 11.245 2.093 10.368 1.00 0.00 N ATOM 732 CA ILE A 46 10.807 1.920 8.988 1.00 0.00 C ATOM 733 C ILE A 46 9.752 2.954 8.612 1.00 0.00 C ATOM 734 O ILE A 46 9.996 3.831 7.780 1.00 0.00 O ATOM 735 CB ILE A 46 10.232 0.511 8.748 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.185 -0.552 9.297 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.978 0.288 7.265 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.518 -0.596 8.585 1.00 0.00 C ATOM 0 H ILE A 46 10.890 1.389 11.015 1.00 0.00 H new ATOM 0 HA ILE A 46 11.688 2.055 8.361 1.00 0.00 H new ATOM 0 HB ILE A 46 9.282 0.427 9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.355 -0.363 10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.709 -1.529 9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.572 -0.712 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.265 1.029 6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.915 0.387 6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.141 -1.373 9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.359 -0.816 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.015 0.369 8.684 1.00 0.00 H new ATOM 750 N PHE A 47 8.578 2.848 9.225 1.00 0.00 N ATOM 751 CA PHE A 47 7.487 3.775 8.952 1.00 0.00 C ATOM 752 C PHE A 47 6.779 4.182 10.240 1.00 0.00 C ATOM 753 O PHE A 47 7.039 3.627 11.308 1.00 0.00 O ATOM 754 CB PHE A 47 6.481 3.143 7.985 1.00 0.00 C ATOM 755 CG PHE A 47 6.959 3.067 6.557 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.878 3.981 6.059 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.480 2.080 5.711 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.308 3.907 4.748 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.908 2.003 4.400 1.00 0.00 C ATOM 760 CZ PHE A 47 7.823 2.917 3.917 1.00 0.00 C ATOM 0 H PHE A 47 8.358 2.129 9.914 1.00 0.00 H new ATOM 0 HA PHE A 47 7.912 4.668 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.245 2.137 8.331 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.555 3.717 8.016 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.261 4.758 6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.763 1.362 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.024 4.624 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.527 1.227 3.752 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.158 2.858 2.892 1.00 0.00 H new ATOM 770 N ASN A 48 5.884 5.158 10.130 1.00 0.00 N ATOM 771 CA ASN A 48 5.134 5.646 11.281 1.00 0.00 C ATOM 772 C ASN A 48 3.648 5.330 11.135 1.00 0.00 C ATOM 773 O ASN A 48 3.182 4.985 10.050 1.00 0.00 O ATOM 774 CB ASN A 48 5.332 7.154 11.444 1.00 0.00 C ATOM 775 CG ASN A 48 6.634 7.495 12.142 1.00 0.00 C ATOM 776 OD1 ASN A 48 7.696 6.989 11.779 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.558 8.355 13.151 1.00 0.00 N ATOM 0 H ASN A 48 5.660 5.628 9.253 1.00 0.00 H new ATOM 0 HA ASN A 48 5.510 5.139 12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.314 7.628 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.499 7.567 12.013 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.401 8.621 13.659 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.656 8.750 13.418 1.00 0.00 H new ATOM 784 N THR A 49 2.912 5.449 12.235 1.00 0.00 N ATOM 785 CA THR A 49 1.478 5.176 12.232 1.00 0.00 C ATOM 786 C THR A 49 0.771 5.956 11.128 1.00 0.00 C ATOM 787 O THR A 49 -0.221 5.493 10.565 1.00 0.00 O ATOM 788 CB THR A 49 0.871 5.531 13.591 1.00 0.00 C ATOM 789 OG1 THR A 49 1.528 4.831 14.632 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.606 5.214 13.686 1.00 0.00 C ATOM 0 H THR A 49 3.285 5.733 13.141 1.00 0.00 H new ATOM 0 HA THR A 49 1.338 4.112 12.042 1.00 0.00 H new ATOM 0 HB THR A 49 1.004 6.608 13.695 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.127 5.073 15.493 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.974 5.489 14.674 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.149 5.777 12.927 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.760 4.147 13.526 1.00 0.00 H new ATOM 798 N VAL A 50 1.286 7.144 10.824 1.00 0.00 N ATOM 799 CA VAL A 50 0.702 7.987 9.787 1.00 0.00 C ATOM 800 C VAL A 50 0.996 7.437 8.396 1.00 0.00 C ATOM 801 O VAL A 50 0.230 7.655 7.458 1.00 0.00 O ATOM 802 CB VAL A 50 1.228 9.430 9.873 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.599 10.158 11.052 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.741 9.436 9.978 1.00 0.00 C ATOM 0 H VAL A 50 2.106 7.544 11.281 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.375 7.988 9.955 1.00 0.00 H new ATOM 0 HB VAL A 50 0.948 9.957 8.961 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.983 11.177 11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.484 10.183 10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.847 9.636 11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.097 10.464 10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.046 8.893 10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.169 8.954 9.099 1.00 0.00 H new ATOM 814 N THR A 51 2.110 6.721 8.269 1.00 0.00 N ATOM 815 CA THR A 51 2.505 6.141 6.992 1.00 0.00 C ATOM 816 C THR A 51 1.618 4.950 6.634 1.00 0.00 C ATOM 817 O THR A 51 0.991 4.926 5.576 1.00 0.00 O ATOM 818 CB THR A 51 3.972 5.706 7.042 1.00 0.00 C ATOM 819 OG1 THR A 51 4.821 6.829 7.194 1.00 0.00 O ATOM 820 CG2 THR A 51 4.422 4.956 5.806 1.00 0.00 C ATOM 0 H THR A 51 2.754 6.529 9.036 1.00 0.00 H new ATOM 0 HA THR A 51 2.383 6.902 6.221 1.00 0.00 H new ATOM 0 HB THR A 51 4.043 5.035 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.318 7.648 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.471 4.679 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.819 4.056 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.300 5.593 4.930 1.00 0.00 H new ATOM 828 N LEU A 52 1.577 3.961 7.522 1.00 0.00 N ATOM 829 CA LEU A 52 0.773 2.763 7.299 1.00 0.00 C ATOM 830 C LEU A 52 -0.673 3.123 6.976 1.00 0.00 C ATOM 831 O LEU A 52 -1.247 2.624 6.008 1.00 0.00 O ATOM 832 CB LEU A 52 0.821 1.855 8.528 1.00 0.00 C ATOM 833 CG LEU A 52 2.227 1.472 8.996 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.253 1.279 10.504 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.699 0.213 8.287 1.00 0.00 C ATOM 0 H LEU A 52 2.091 3.965 8.403 1.00 0.00 H new ATOM 0 HA LEU A 52 1.193 2.232 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.304 2.352 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.266 0.943 8.309 1.00 0.00 H new ATOM 0 HG LEU A 52 2.908 2.284 8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.261 1.007 10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.957 2.206 10.995 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.560 0.485 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.700 -0.045 8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.016 -0.607 8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.719 0.387 7.211 1.00 0.00 H new ATOM 847 N LYS A 53 -1.261 3.993 7.793 1.00 0.00 N ATOM 848 CA LYS A 53 -2.641 4.419 7.590 1.00 0.00 C ATOM 849 C LYS A 53 -2.822 5.038 6.208 1.00 0.00 C ATOM 850 O LYS A 53 -3.879 4.905 5.591 1.00 0.00 O ATOM 851 CB LYS A 53 -3.053 5.421 8.671 1.00 0.00 C ATOM 852 CG LYS A 53 -2.286 6.731 8.608 1.00 0.00 C ATOM 853 CD LYS A 53 -2.892 7.775 9.534 1.00 0.00 C ATOM 854 CE LYS A 53 -2.592 7.468 10.993 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.815 7.556 11.840 1.00 0.00 N ATOM 0 H LYS A 53 -0.803 4.416 8.601 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.280 3.539 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.119 5.628 8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.903 4.968 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.246 6.559 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.287 7.106 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.499 8.760 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.971 7.814 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.165 6.468 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.842 8.166 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.570 7.340 12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.208 8.517 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.522 6.872 11.501 1.00 0.00 H new ATOM 869 N LYS A 54 -1.783 5.712 5.728 1.00 0.00 N ATOM 870 CA LYS A 54 -1.826 6.351 4.418 1.00 0.00 C ATOM 871 C LYS A 54 -1.829 5.307 3.304 1.00 0.00 C ATOM 872 O LYS A 54 -2.739 5.273 2.477 1.00 0.00 O ATOM 873 CB LYS A 54 -0.635 7.299 4.252 1.00 0.00 C ATOM 874 CG LYS A 54 -1.029 8.767 4.193 1.00 0.00 C ATOM 875 CD LYS A 54 -1.861 9.174 5.400 1.00 0.00 C ATOM 876 CE LYS A 54 -3.290 9.511 5.006 1.00 0.00 C ATOM 877 NZ LYS A 54 -4.130 9.843 6.190 1.00 0.00 N ATOM 0 H LYS A 54 -0.901 5.830 6.226 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.749 6.927 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.056 7.150 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.098 7.038 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.131 9.383 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.594 8.956 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.865 8.364 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.403 10.037 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.287 10.354 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.729 8.666 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.097 10.067 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.155 9.029 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.726 10.665 6.683 1.00 0.00 H new ATOM 891 N LEU A 55 -0.809 4.454 3.293 1.00 0.00 N ATOM 892 CA LEU A 55 -0.702 3.407 2.283 1.00 0.00 C ATOM 893 C LEU A 55 -1.907 2.472 2.316 1.00 0.00 C ATOM 894 O LEU A 55 -2.185 1.773 1.341 1.00 0.00 O ATOM 895 CB LEU A 55 0.590 2.608 2.475 1.00 0.00 C ATOM 896 CG LEU A 55 1.815 3.184 1.759 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.672 4.009 2.704 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.641 2.070 1.135 1.00 0.00 C ATOM 0 H LEU A 55 -0.047 4.467 3.970 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.679 3.892 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.806 2.545 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.426 1.590 2.122 1.00 0.00 H new ATOM 0 HG LEU A 55 1.457 3.843 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.533 4.403 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.083 4.836 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.016 3.381 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.507 2.498 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.976 1.386 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.032 1.527 0.412 1.00 0.00 H new ATOM 910 N ALA A 56 -2.621 2.459 3.436 1.00 0.00 N ATOM 911 CA ALA A 56 -3.794 1.606 3.579 1.00 0.00 C ATOM 912 C ALA A 56 -4.993 2.198 2.848 1.00 0.00 C ATOM 913 O ALA A 56 -5.591 1.547 1.991 1.00 0.00 O ATOM 914 CB ALA A 56 -4.119 1.394 5.050 1.00 0.00 C ATOM 0 H ALA A 56 -2.409 3.028 4.256 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.568 0.640 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.997 0.755 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.272 0.919 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.321 2.356 5.520 1.00 0.00 H new ATOM 920 N GLU A 57 -5.341 3.434 3.191 1.00 0.00 N ATOM 921 CA GLU A 57 -6.472 4.110 2.564 1.00 0.00 C ATOM 922 C GLU A 57 -6.294 4.175 1.050 1.00 0.00 C ATOM 923 O GLU A 57 -7.234 3.934 0.291 1.00 0.00 O ATOM 924 CB GLU A 57 -6.630 5.524 3.128 1.00 0.00 C ATOM 925 CG GLU A 57 -6.457 5.604 4.637 1.00 0.00 C ATOM 926 CD GLU A 57 -7.629 6.278 5.324 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.764 6.162 4.814 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.413 6.923 6.372 1.00 0.00 O ATOM 0 H GLU A 57 -4.857 3.987 3.898 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.372 3.536 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.900 6.179 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.617 5.903 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.335 4.598 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.543 6.152 4.866 1.00 0.00 H new ATOM 935 N SER A 58 -5.081 4.506 0.616 1.00 0.00 N ATOM 936 CA SER A 58 -4.775 4.604 -0.807 1.00 0.00 C ATOM 937 C SER A 58 -4.978 3.261 -1.502 1.00 0.00 C ATOM 938 O SER A 58 -5.688 3.171 -2.504 1.00 0.00 O ATOM 939 CB SER A 58 -3.338 5.084 -1.008 1.00 0.00 C ATOM 940 OG SER A 58 -3.023 6.142 -0.120 1.00 0.00 O ATOM 0 H SER A 58 -4.293 4.711 1.231 1.00 0.00 H new ATOM 0 HA SER A 58 -5.458 5.328 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.649 4.255 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.203 5.417 -2.037 1.00 0.00 H new ATOM 0 HG SER A 58 -2.777 5.773 0.754 1.00 0.00 H new ATOM 946 N LEU A 59 -4.350 2.221 -0.962 1.00 0.00 N ATOM 947 CA LEU A 59 -4.461 0.880 -1.529 1.00 0.00 C ATOM 948 C LEU A 59 -3.824 0.819 -2.916 1.00 0.00 C ATOM 949 O LEU A 59 -4.314 0.123 -3.803 1.00 0.00 O ATOM 950 CB LEU A 59 -5.930 0.459 -1.615 1.00 0.00 C ATOM 951 CG LEU A 59 -6.188 -1.038 -1.406 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.378 -1.254 -0.482 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.414 -1.735 -2.742 1.00 0.00 C ATOM 0 H LEU A 59 -3.759 2.280 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.929 0.192 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.497 1.018 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.318 0.746 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.306 -1.474 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.544 -2.323 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.176 -0.793 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.267 -0.801 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.595 -2.796 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.277 -1.294 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.531 -1.613 -3.370 1.00 0.00 H new ATOM 965 N SER A 60 -2.727 1.549 -3.093 1.00 0.00 N ATOM 966 CA SER A 60 -2.027 1.573 -4.373 1.00 0.00 C ATOM 967 C SER A 60 -0.525 1.394 -4.176 1.00 0.00 C ATOM 968 O SER A 60 0.066 1.984 -3.272 1.00 0.00 O ATOM 969 CB SER A 60 -2.304 2.889 -5.103 1.00 0.00 C ATOM 970 OG SER A 60 -3.694 3.079 -5.307 1.00 0.00 O ATOM 0 H SER A 60 -2.305 2.130 -2.369 1.00 0.00 H new ATOM 0 HA SER A 60 -2.397 0.744 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.902 3.721 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.789 2.890 -6.064 1.00 0.00 H new ATOM 0 HG SER A 60 -3.843 3.928 -5.774 1.00 0.00 H new ATOM 976 N SER A 61 0.084 0.575 -5.028 1.00 0.00 N ATOM 977 CA SER A 61 1.519 0.321 -4.945 1.00 0.00 C ATOM 978 C SER A 61 2.292 1.274 -5.850 1.00 0.00 C ATOM 979 O SER A 61 2.621 0.938 -6.989 1.00 0.00 O ATOM 980 CB SER A 61 1.821 -1.128 -5.331 1.00 0.00 C ATOM 981 OG SER A 61 1.436 -1.391 -6.669 1.00 0.00 O ATOM 0 H SER A 61 -0.391 0.077 -5.781 1.00 0.00 H new ATOM 0 HA SER A 61 1.837 0.490 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.886 -1.325 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.294 -1.804 -4.658 1.00 0.00 H new ATOM 0 HG SER A 61 1.710 -0.644 -7.241 1.00 0.00 H new ATOM 987 N ASP A 62 2.583 2.462 -5.333 1.00 0.00 N ATOM 988 CA ASP A 62 3.322 3.468 -6.087 1.00 0.00 C ATOM 989 C ASP A 62 4.554 3.931 -5.313 1.00 0.00 C ATOM 990 O ASP A 62 4.606 3.814 -4.092 1.00 0.00 O ATOM 991 CB ASP A 62 2.421 4.667 -6.398 1.00 0.00 C ATOM 992 CG ASP A 62 1.993 4.706 -7.852 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.755 5.245 -8.681 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.895 4.197 -8.160 1.00 0.00 O ATOM 0 H ASP A 62 2.318 2.753 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 62 3.650 3.016 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.536 4.628 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.949 5.588 -6.153 1.00 0.00 H new ATOM 999 N PRO A 63 5.571 4.455 -6.016 1.00 0.00 N ATOM 1000 CA PRO A 63 6.799 4.930 -5.394 1.00 0.00 C ATOM 1001 C PRO A 63 6.716 6.397 -4.971 1.00 0.00 C ATOM 1002 O PRO A 63 7.019 6.740 -3.828 1.00 0.00 O ATOM 1003 CB PRO A 63 7.827 4.745 -6.504 1.00 0.00 C ATOM 1004 CG PRO A 63 7.061 4.909 -7.780 1.00 0.00 C ATOM 1005 CD PRO A 63 5.607 4.621 -7.478 1.00 0.00 C ATOM 0 HA PRO A 63 7.033 4.394 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.626 5.482 -6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.294 3.762 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.178 5.920 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.436 4.227 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.963 5.438 -7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.264 3.722 -7.990 1.00 0.00 H new ATOM 1013 N GLU A 64 6.307 7.260 -5.899 1.00 0.00 N ATOM 1014 CA GLU A 64 6.188 8.687 -5.617 1.00 0.00 C ATOM 1015 C GLU A 64 5.038 8.961 -4.654 1.00 0.00 C ATOM 1016 O GLU A 64 5.175 9.747 -3.717 1.00 0.00 O ATOM 1017 CB GLU A 64 5.978 9.471 -6.916 1.00 0.00 C ATOM 1018 CG GLU A 64 4.791 8.991 -7.736 1.00 0.00 C ATOM 1019 CD GLU A 64 5.054 9.046 -9.228 1.00 0.00 C ATOM 1020 OE1 GLU A 64 6.039 8.429 -9.681 1.00 0.00 O ATOM 1021 OE2 GLU A 64 4.272 9.708 -9.944 1.00 0.00 O ATOM 0 H GLU A 64 6.053 6.996 -6.851 1.00 0.00 H new ATOM 0 HA GLU A 64 7.116 9.015 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.839 10.525 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.880 9.399 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.547 7.968 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.920 9.603 -7.501 1.00 0.00 H new ATOM 1028 N VAL A 65 3.905 8.304 -4.888 1.00 0.00 N ATOM 1029 CA VAL A 65 2.732 8.472 -4.037 1.00 0.00 C ATOM 1030 C VAL A 65 3.084 8.246 -2.570 1.00 0.00 C ATOM 1031 O VAL A 65 2.425 8.769 -1.672 1.00 0.00 O ATOM 1032 CB VAL A 65 1.606 7.496 -4.431 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.354 7.759 -3.610 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.302 7.597 -5.920 1.00 0.00 C ATOM 0 H VAL A 65 3.775 7.650 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 65 2.385 9.496 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 65 1.946 6.482 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.428 7.059 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.579 7.628 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.012 8.779 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.504 6.900 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.987 8.613 -6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.197 7.351 -6.492 1.00 0.00 H new ATOM 1044 N LEU A 66 4.125 7.457 -2.340 1.00 0.00 N ATOM 1045 CA LEU A 66 4.570 7.146 -0.990 1.00 0.00 C ATOM 1046 C LEU A 66 5.500 8.228 -0.453 1.00 0.00 C ATOM 1047 O LEU A 66 5.562 8.462 0.754 1.00 0.00 O ATOM 1048 CB LEU A 66 5.269 5.790 -0.982 1.00 0.00 C ATOM 1049 CG LEU A 66 4.389 4.628 -1.441 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.169 3.322 -1.450 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.169 4.513 -0.552 1.00 0.00 C ATOM 0 H LEU A 66 4.679 7.019 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 66 3.698 7.106 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.147 5.843 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.626 5.584 0.027 1.00 0.00 H new ATOM 0 HG LEU A 66 4.062 4.829 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.519 2.512 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.016 3.409 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.532 3.108 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.550 3.682 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.484 4.337 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.594 5.437 -0.602 1.00 0.00 H new ATOM 1063 N LEU A 67 6.217 8.890 -1.353 1.00 0.00 N ATOM 1064 CA LEU A 67 7.139 9.950 -0.964 1.00 0.00 C ATOM 1065 C LEU A 67 6.395 11.078 -0.255 1.00 0.00 C ATOM 1066 O LEU A 67 6.911 11.681 0.687 1.00 0.00 O ATOM 1067 CB LEU A 67 7.866 10.498 -2.194 1.00 0.00 C ATOM 1068 CG LEU A 67 9.233 11.124 -1.913 1.00 0.00 C ATOM 1069 CD1 LEU A 67 9.116 12.203 -0.845 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.235 10.056 -1.491 1.00 0.00 C ATOM 0 H LEU A 67 6.178 8.712 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 67 7.872 9.529 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.995 9.688 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.231 11.246 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 67 9.595 11.588 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.098 12.638 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.434 12.981 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.732 11.764 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.201 10.521 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.881 9.562 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.341 9.321 -2.289 1.00 0.00 H new ATOM 1082 N GLN A 68 5.181 11.359 -0.716 1.00 0.00 N ATOM 1083 CA GLN A 68 4.363 12.416 -0.129 1.00 0.00 C ATOM 1084 C GLN A 68 3.793 11.989 1.224 1.00 0.00 C ATOM 1085 O GLN A 68 3.381 12.830 2.023 1.00 0.00 O ATOM 1086 CB GLN A 68 3.224 12.793 -1.078 1.00 0.00 C ATOM 1087 CG GLN A 68 3.700 13.296 -2.431 1.00 0.00 C ATOM 1088 CD GLN A 68 3.780 14.809 -2.495 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.704 15.490 -1.473 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.933 15.342 -3.703 1.00 0.00 N ATOM 0 H GLN A 68 4.741 10.869 -1.495 1.00 0.00 H new ATOM 0 HA GLN A 68 5.002 13.285 0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.584 11.923 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.611 13.563 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.682 12.874 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.022 12.938 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.991 14.738 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.992 16.355 -3.810 1.00 0.00 H new ATOM 1099 N ILE A 69 3.767 10.683 1.473 1.00 0.00 N ATOM 1100 CA ILE A 69 3.245 10.159 2.731 1.00 0.00 C ATOM 1101 C ILE A 69 4.092 10.624 3.912 1.00 0.00 C ATOM 1102 O ILE A 69 5.321 10.589 3.858 1.00 0.00 O ATOM 1103 CB ILE A 69 3.193 8.618 2.722 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.448 8.114 1.483 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.530 8.099 3.993 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.959 8.388 1.509 1.00 0.00 C ATOM 0 H ILE A 69 4.100 9.971 0.823 1.00 0.00 H new ATOM 0 HA ILE A 69 2.232 10.546 2.839 1.00 0.00 H new ATOM 0 HB ILE A 69 4.214 8.239 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.878 8.581 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.608 7.040 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.502 7.010 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.100 8.429 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.513 8.487 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.502 8.002 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.514 7.897 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.788 9.463 1.573 1.00 0.00 H new ATOM 1118 N ASP A 70 3.427 11.060 4.976 1.00 0.00 N ATOM 1119 CA ASP A 70 4.119 11.535 6.170 1.00 0.00 C ATOM 1120 C ASP A 70 4.988 10.436 6.771 1.00 0.00 C ATOM 1121 O ASP A 70 4.522 9.321 7.008 1.00 0.00 O ATOM 1122 CB ASP A 70 3.109 12.028 7.209 1.00 0.00 C ATOM 1123 CG ASP A 70 2.127 13.029 6.629 1.00 0.00 C ATOM 1124 OD1 ASP A 70 1.216 12.607 5.886 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.269 14.236 6.922 1.00 0.00 O ATOM 0 H ASP A 70 2.409 11.095 5.037 1.00 0.00 H new ATOM 0 HA ASP A 70 4.764 12.364 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.561 11.176 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.642 12.487 8.042 1.00 0.00 H new ATOM 1130 N GLY A 71 6.255 10.758 7.017 1.00 0.00 N ATOM 1131 CA GLY A 71 7.170 9.788 7.591 1.00 0.00 C ATOM 1132 C GLY A 71 7.981 9.056 6.539 1.00 0.00 C ATOM 1133 O GLY A 71 9.080 8.577 6.817 1.00 0.00 O ATOM 0 H GLY A 71 6.664 11.673 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.847 10.295 8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.605 9.064 8.177 1.00 0.00 H new ATOM 1137 N VAL A 72 7.438 8.968 5.329 1.00 0.00 N ATOM 1138 CA VAL A 72 8.117 8.287 4.234 1.00 0.00 C ATOM 1139 C VAL A 72 9.023 9.247 3.469 1.00 0.00 C ATOM 1140 O VAL A 72 8.552 10.200 2.850 1.00 0.00 O ATOM 1141 CB VAL A 72 7.109 7.658 3.251 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.813 6.707 2.296 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.001 6.944 4.005 1.00 0.00 C ATOM 0 H VAL A 72 6.529 9.360 5.083 1.00 0.00 H new ATOM 0 HA VAL A 72 8.721 7.496 4.679 1.00 0.00 H new ATOM 0 HB VAL A 72 6.659 8.458 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.084 6.274 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.566 7.253 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.295 5.911 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.300 6.507 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.431 6.155 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.476 7.657 4.641 1.00 0.00 H new ATOM 1153 N THR A 73 10.325 8.988 3.518 1.00 0.00 N ATOM 1154 CA THR A 73 11.297 9.829 2.829 1.00 0.00 C ATOM 1155 C THR A 73 11.814 9.144 1.570 1.00 0.00 C ATOM 1156 O THR A 73 11.404 8.030 1.244 1.00 0.00 O ATOM 1157 CB THR A 73 12.467 10.160 3.759 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.723 9.085 4.645 1.00 0.00 O ATOM 1159 CG2 THR A 73 12.233 11.399 4.596 1.00 0.00 C ATOM 0 H THR A 73 10.732 8.203 4.027 1.00 0.00 H new ATOM 0 HA THR A 73 10.798 10.754 2.539 1.00 0.00 H new ATOM 0 HB THR A 73 13.317 10.340 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.690 8.947 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.100 11.577 5.232 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.081 12.257 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.349 11.256 5.218 1.00 0.00 H new ATOM 1167 N GLU A 74 12.715 9.818 0.863 1.00 0.00 N ATOM 1168 CA GLU A 74 13.288 9.273 -0.362 1.00 0.00 C ATOM 1169 C GLU A 74 14.190 8.081 -0.060 1.00 0.00 C ATOM 1170 O GLU A 74 14.332 7.174 -0.880 1.00 0.00 O ATOM 1171 CB GLU A 74 14.081 10.352 -1.102 1.00 0.00 C ATOM 1172 CG GLU A 74 13.223 11.510 -1.589 1.00 0.00 C ATOM 1173 CD GLU A 74 14.047 12.720 -1.984 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.121 12.931 -1.383 1.00 0.00 O ATOM 1175 OE2 GLU A 74 13.619 13.456 -2.899 1.00 0.00 O ATOM 0 H GLU A 74 13.064 10.742 1.117 1.00 0.00 H new ATOM 0 HA GLU A 74 12.469 8.933 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.857 10.738 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.585 9.900 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.630 11.184 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.522 11.793 -0.804 1.00 0.00 H new ATOM 1182 N ASP A 75 14.799 8.088 1.123 1.00 0.00 N ATOM 1183 CA ASP A 75 15.686 7.006 1.532 1.00 0.00 C ATOM 1184 C ASP A 75 14.888 5.787 1.982 1.00 0.00 C ATOM 1185 O ASP A 75 15.297 4.648 1.755 1.00 0.00 O ATOM 1186 CB ASP A 75 16.605 7.473 2.663 1.00 0.00 C ATOM 1187 CG ASP A 75 15.834 8.040 3.839 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.445 9.225 3.779 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.619 7.296 4.820 1.00 0.00 O ATOM 0 H ASP A 75 14.694 8.831 1.814 1.00 0.00 H new ATOM 0 HA ASP A 75 16.293 6.723 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.214 6.635 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.289 8.231 2.282 1.00 0.00 H new ATOM 1194 N LYS A 76 13.750 6.033 2.621 1.00 0.00 N ATOM 1195 CA LYS A 76 12.894 4.954 3.101 1.00 0.00 C ATOM 1196 C LYS A 76 12.165 4.280 1.944 1.00 0.00 C ATOM 1197 O LYS A 76 11.882 3.083 1.987 1.00 0.00 O ATOM 1198 CB LYS A 76 11.879 5.491 4.113 1.00 0.00 C ATOM 1199 CG LYS A 76 12.504 6.329 5.217 1.00 0.00 C ATOM 1200 CD LYS A 76 12.729 5.509 6.479 1.00 0.00 C ATOM 1201 CE LYS A 76 12.270 6.257 7.720 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.365 7.073 8.315 1.00 0.00 N ATOM 0 H LYS A 76 13.399 6.970 2.819 1.00 0.00 H new ATOM 0 HA LYS A 76 13.527 4.213 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.138 6.093 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.348 4.652 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.454 6.737 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.857 7.176 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.189 4.565 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.787 5.264 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.432 6.906 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.906 5.544 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.011 7.567 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.154 6.452 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.695 7.771 7.619 1.00 0.00 H new ATOM 1216 N LEU A 77 11.862 5.058 0.911 1.00 0.00 N ATOM 1217 CA LEU A 77 11.163 4.540 -0.259 1.00 0.00 C ATOM 1218 C LEU A 77 12.130 3.829 -1.205 1.00 0.00 C ATOM 1219 O LEU A 77 11.731 2.955 -1.972 1.00 0.00 O ATOM 1220 CB LEU A 77 10.452 5.680 -0.995 1.00 0.00 C ATOM 1221 CG LEU A 77 9.208 5.278 -1.791 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.565 4.267 -2.869 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.132 4.717 -0.871 1.00 0.00 C ATOM 0 H LEU A 77 12.090 6.051 0.860 1.00 0.00 H new ATOM 0 HA LEU A 77 10.423 3.816 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.165 6.437 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.162 6.147 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 77 8.812 6.172 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.667 3.994 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.294 4.705 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.990 3.376 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.258 4.439 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.517 3.837 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.850 5.473 -0.138 1.00 0.00 H new ATOM 1235 N GLU A 78 13.400 4.207 -1.146 1.00 0.00 N ATOM 1236 CA GLU A 78 14.414 3.598 -2.001 1.00 0.00 C ATOM 1237 C GLU A 78 15.063 2.395 -1.319 1.00 0.00 C ATOM 1238 O GLU A 78 15.624 1.525 -1.983 1.00 0.00 O ATOM 1239 CB GLU A 78 15.485 4.627 -2.368 1.00 0.00 C ATOM 1240 CG GLU A 78 16.064 4.431 -3.759 1.00 0.00 C ATOM 1241 CD GLU A 78 16.701 5.692 -4.308 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.383 6.398 -3.536 1.00 0.00 O ATOM 1243 OE2 GLU A 78 16.518 5.975 -5.512 1.00 0.00 O ATOM 0 H GLU A 78 13.753 4.929 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 78 13.921 3.251 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.056 5.626 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.292 4.576 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.808 3.635 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.274 4.104 -4.435 1.00 0.00 H new ATOM 1250 N LYS A 79 14.990 2.356 0.009 1.00 0.00 N ATOM 1251 CA LYS A 79 15.579 1.263 0.773 1.00 0.00 C ATOM 1252 C LYS A 79 14.543 0.194 1.115 1.00 0.00 C ATOM 1253 O LYS A 79 14.813 -1.001 1.003 1.00 0.00 O ATOM 1254 CB LYS A 79 16.214 1.798 2.057 1.00 0.00 C ATOM 1255 CG LYS A 79 17.182 0.824 2.708 1.00 0.00 C ATOM 1256 CD LYS A 79 18.425 1.532 3.223 1.00 0.00 C ATOM 1257 CE LYS A 79 19.257 0.623 4.114 1.00 0.00 C ATOM 1258 NZ LYS A 79 20.699 0.657 3.749 1.00 0.00 N ATOM 0 H LYS A 79 14.529 3.068 0.576 1.00 0.00 H new ATOM 0 HA LYS A 79 16.347 0.803 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.741 2.726 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.425 2.043 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.685 0.313 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.470 0.059 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.029 1.868 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.133 2.422 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.139 0.927 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.887 -0.399 4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 21.232 0.024 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.815 0.343 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 21.059 1.628 3.848 1.00 0.00 H new ATOM 1272 N TYR A 80 13.362 0.630 1.546 1.00 0.00 N ATOM 1273 CA TYR A 80 12.297 -0.296 1.919 1.00 0.00 C ATOM 1274 C TYR A 80 11.282 -0.476 0.791 1.00 0.00 C ATOM 1275 O TYR A 80 10.574 -1.481 0.742 1.00 0.00 O ATOM 1276 CB TYR A 80 11.589 0.197 3.180 1.00 0.00 C ATOM 1277 CG TYR A 80 12.517 0.393 4.358 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.356 -0.630 4.781 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.554 1.601 5.045 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.206 -0.455 5.857 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.403 1.782 6.120 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.226 0.752 6.522 1.00 0.00 C ATOM 1283 OH TYR A 80 15.072 0.931 7.593 1.00 0.00 O ATOM 0 H TYR A 80 13.119 1.616 1.645 1.00 0.00 H new ATOM 0 HA TYR A 80 12.757 -1.265 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.089 1.141 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.813 -0.518 3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.344 -1.577 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.910 2.410 4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.851 -1.260 6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.422 2.727 6.643 1.00 0.00 H new ATOM 0 HH TYR A 80 14.963 1.838 7.948 1.00 0.00 H new ATOM 1293 N GLY A 81 11.211 0.500 -0.110 1.00 0.00 N ATOM 1294 CA GLY A 81 10.273 0.425 -1.218 1.00 0.00 C ATOM 1295 C GLY A 81 10.291 -0.921 -1.920 1.00 0.00 C ATOM 1296 O GLY A 81 9.290 -1.340 -2.502 1.00 0.00 O ATOM 0 H GLY A 81 11.786 1.342 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.267 0.623 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.508 1.208 -1.939 1.00 0.00 H new ATOM 1300 N ALA A 82 11.432 -1.599 -1.870 1.00 0.00 N ATOM 1301 CA ALA A 82 11.572 -2.901 -2.510 1.00 0.00 C ATOM 1302 C ALA A 82 10.783 -3.973 -1.764 1.00 0.00 C ATOM 1303 O ALA A 82 10.336 -4.953 -2.360 1.00 0.00 O ATOM 1304 CB ALA A 82 13.040 -3.290 -2.594 1.00 0.00 C ATOM 0 H ALA A 82 12.272 -1.269 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 82 11.165 -2.826 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.131 -4.264 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.581 -2.546 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.461 -3.339 -1.590 1.00 0.00 H new ATOM 1310 N GLU A 83 10.620 -3.785 -0.457 1.00 0.00 N ATOM 1311 CA GLU A 83 9.888 -4.744 0.364 1.00 0.00 C ATOM 1312 C GLU A 83 8.434 -4.319 0.555 1.00 0.00 C ATOM 1313 O GLU A 83 7.513 -5.058 0.207 1.00 0.00 O ATOM 1314 CB GLU A 83 10.570 -4.906 1.724 1.00 0.00 C ATOM 1315 CG GLU A 83 10.934 -6.345 2.053 1.00 0.00 C ATOM 1316 CD GLU A 83 9.730 -7.268 2.051 1.00 0.00 C ATOM 1317 OE1 GLU A 83 9.126 -7.452 0.972 1.00 0.00 O ATOM 1318 OE2 GLU A 83 9.394 -7.808 3.126 1.00 0.00 O ATOM 0 H GLU A 83 10.983 -2.981 0.054 1.00 0.00 H new ATOM 0 HA GLU A 83 9.894 -5.701 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.474 -4.298 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.910 -4.520 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.664 -6.706 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.412 -6.380 3.032 1.00 0.00 H new ATOM 1325 N VAL A 84 8.231 -3.130 1.119 1.00 0.00 N ATOM 1326 CA VAL A 84 6.884 -2.618 1.362 1.00 0.00 C ATOM 1327 C VAL A 84 6.004 -2.746 0.121 1.00 0.00 C ATOM 1328 O VAL A 84 4.892 -3.269 0.193 1.00 0.00 O ATOM 1329 CB VAL A 84 6.902 -1.143 1.812 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.410 -1.024 3.240 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.744 -0.302 0.867 1.00 0.00 C ATOM 0 H VAL A 84 8.980 -2.504 1.416 1.00 0.00 H new ATOM 0 HA VAL A 84 6.467 -3.227 2.164 1.00 0.00 H new ATOM 0 HB VAL A 84 5.880 -0.765 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.415 0.024 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.757 -1.588 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.422 -1.423 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.743 0.735 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.767 -0.679 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.327 -0.358 -0.139 1.00 0.00 H new ATOM 1341 N ILE A 85 6.505 -2.271 -1.015 1.00 0.00 N ATOM 1342 CA ILE A 85 5.755 -2.339 -2.262 1.00 0.00 C ATOM 1343 C ILE A 85 5.449 -3.786 -2.636 1.00 0.00 C ATOM 1344 O ILE A 85 4.411 -4.076 -3.227 1.00 0.00 O ATOM 1345 CB ILE A 85 6.515 -1.661 -3.422 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.734 -0.178 -3.114 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.753 -1.831 -4.733 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.226 0.626 -4.299 1.00 0.00 C ATOM 0 H ILE A 85 7.424 -1.836 -1.097 1.00 0.00 H new ATOM 0 HA ILE A 85 4.820 -1.803 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 85 7.488 -2.141 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.797 0.252 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.455 -0.088 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.304 -1.347 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.643 -2.892 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.767 -1.375 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.358 1.667 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.179 0.223 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.496 0.568 -5.106 1.00 0.00 H new ATOM 1360 N SER A 86 6.355 -4.693 -2.281 1.00 0.00 N ATOM 1361 CA SER A 86 6.167 -6.109 -2.576 1.00 0.00 C ATOM 1362 C SER A 86 4.838 -6.601 -2.011 1.00 0.00 C ATOM 1363 O SER A 86 4.201 -7.490 -2.574 1.00 0.00 O ATOM 1364 CB SER A 86 7.320 -6.931 -1.998 1.00 0.00 C ATOM 1365 OG SER A 86 7.326 -8.245 -2.526 1.00 0.00 O ATOM 0 H SER A 86 7.222 -4.474 -1.791 1.00 0.00 H new ATOM 0 HA SER A 86 6.154 -6.235 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.268 -6.441 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.232 -6.973 -0.912 1.00 0.00 H new ATOM 0 HG SER A 86 8.074 -8.749 -2.141 1.00 0.00 H new ATOM 1371 N VAL A 87 4.431 -6.009 -0.894 1.00 0.00 N ATOM 1372 CA VAL A 87 3.179 -6.372 -0.243 1.00 0.00 C ATOM 1373 C VAL A 87 2.019 -5.522 -0.755 1.00 0.00 C ATOM 1374 O VAL A 87 0.855 -5.892 -0.605 1.00 0.00 O ATOM 1375 CB VAL A 87 3.274 -6.212 1.287 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.093 -6.885 1.971 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.589 -6.777 1.805 1.00 0.00 C ATOM 0 H VAL A 87 4.953 -5.272 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 87 2.994 -7.419 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 87 3.244 -5.148 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.179 -6.761 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.165 -6.430 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.088 -7.947 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.637 -6.654 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.653 -7.836 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.421 -6.245 1.343 1.00 0.00 H new ATOM 1387 N LEU A 88 2.341 -4.374 -1.349 1.00 0.00 N ATOM 1388 CA LEU A 88 1.320 -3.470 -1.868 1.00 0.00 C ATOM 1389 C LEU A 88 0.836 -3.894 -3.252 1.00 0.00 C ATOM 1390 O LEU A 88 -0.287 -3.581 -3.643 1.00 0.00 O ATOM 1391 CB LEU A 88 1.852 -2.038 -1.920 1.00 0.00 C ATOM 1392 CG LEU A 88 1.709 -1.249 -0.615 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.060 -0.735 -0.145 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.731 -0.097 -0.791 1.00 0.00 C ATOM 0 H LEU A 88 3.299 -4.050 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 88 0.470 -3.516 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.906 -2.067 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.330 -1.500 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 88 1.316 -1.921 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.934 -0.178 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.731 -1.577 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.485 -0.081 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.643 0.452 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.094 0.573 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.246 -0.489 -1.075 1.00 0.00 H new ATOM 1406 N GLN A 89 1.686 -4.599 -3.990 1.00 0.00 N ATOM 1407 CA GLN A 89 1.332 -5.056 -5.331 1.00 0.00 C ATOM 1408 C GLN A 89 -0.045 -5.717 -5.337 1.00 0.00 C ATOM 1409 O GLN A 89 -0.812 -5.577 -6.293 1.00 0.00 O ATOM 1410 CB GLN A 89 2.384 -6.035 -5.854 1.00 0.00 C ATOM 1411 CG GLN A 89 2.185 -6.424 -7.310 1.00 0.00 C ATOM 1412 CD GLN A 89 3.141 -7.511 -7.760 1.00 0.00 C ATOM 1413 OE1 GLN A 89 3.756 -8.192 -6.938 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.271 -7.678 -9.070 1.00 0.00 N ATOM 0 H GLN A 89 2.622 -4.866 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 89 1.299 -4.186 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.372 -5.590 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.366 -6.936 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.160 -6.765 -7.454 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.320 -5.544 -7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.741 -7.091 -9.714 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.901 -8.394 -9.433 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.353 -6.433 -4.259 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.635 -7.114 -4.132 1.00 0.00 C ATOM 1425 C LYS A 90 -2.780 -6.108 -4.080 1.00 0.00 C ATOM 1426 O LYS A 90 -3.882 -6.383 -4.555 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.652 -7.988 -2.876 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.424 -8.877 -2.740 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.802 -10.295 -2.340 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.950 -10.427 -0.833 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.433 -11.778 -0.439 1.00 0.00 N ATOM 0 H LYS A 90 0.270 -6.556 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.770 -7.748 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.726 -7.347 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.544 -8.614 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.118 -8.897 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.251 -8.455 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.738 -10.574 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.040 -10.990 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.010 -10.231 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.647 -9.672 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.521 -11.827 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.361 -11.955 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.755 -12.497 -0.764 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.514 -4.941 -3.501 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.527 -3.898 -3.396 1.00 0.00 C ATOM 1447 C TYR A 91 -3.759 -3.238 -4.750 1.00 0.00 C ATOM 1448 O TYR A 91 -4.873 -2.819 -5.067 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.110 -2.840 -2.369 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.466 -3.408 -1.119 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.746 -4.700 -0.689 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.577 -2.647 -0.374 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.153 -5.215 0.449 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -0.981 -3.156 0.764 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.273 -4.440 1.171 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.680 -4.951 2.303 1.00 0.00 O ATOM 0 H TYR A 91 -1.609 -4.695 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.456 -4.363 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.413 -2.147 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.989 -2.263 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.437 -5.310 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.347 -1.640 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.379 -6.221 0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.290 -2.551 1.332 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.214 -4.233 2.781 1.00 0.00 H new ATOM 1466 N SER A 92 -2.698 -3.153 -5.548 1.00 0.00 N ATOM 1467 CA SER A 92 -2.785 -2.551 -6.870 1.00 0.00 C ATOM 1468 C SER A 92 -3.788 -3.300 -7.740 1.00 0.00 C ATOM 1469 O SER A 92 -4.492 -2.700 -8.551 1.00 0.00 O ATOM 1470 CB SER A 92 -1.411 -2.546 -7.544 1.00 0.00 C ATOM 1471 OG SER A 92 -1.219 -1.367 -8.307 1.00 0.00 O ATOM 0 H SER A 92 -1.769 -3.494 -5.300 1.00 0.00 H new ATOM 0 HA SER A 92 -3.127 -1.523 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.631 -2.623 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.316 -3.419 -8.189 1.00 0.00 H new ATOM 0 HG SER A 92 -0.362 -0.957 -8.066 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.851 -4.616 -7.560 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.773 -5.447 -8.326 1.00 0.00 C ATOM 1479 C GLU A 93 -6.179 -5.384 -7.736 1.00 0.00 C ATOM 1480 O GLU A 93 -7.169 -5.554 -8.447 1.00 0.00 O ATOM 1481 CB GLU A 93 -4.283 -6.896 -8.358 1.00 0.00 C ATOM 1482 CG GLU A 93 -4.247 -7.558 -6.991 1.00 0.00 C ATOM 1483 CD GLU A 93 -4.361 -9.068 -7.072 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -3.567 -9.685 -7.812 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -5.246 -9.632 -6.395 1.00 0.00 O ATOM 0 H GLU A 93 -3.276 -5.129 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.809 -5.062 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.931 -7.475 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.283 -6.923 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.317 -7.294 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.062 -7.168 -6.381 1.00 0.00 H new ATOM 1492 N TRP A 94 -6.261 -5.136 -6.431 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.547 -5.047 -5.748 1.00 0.00 C ATOM 1494 C TRP A 94 -8.046 -3.604 -5.687 1.00 0.00 C ATOM 1495 O TRP A 94 -9.002 -3.301 -4.972 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.436 -5.614 -4.330 1.00 0.00 C ATOM 1497 CG TRP A 94 -7.614 -7.099 -4.268 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -6.638 -8.045 -4.386 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -8.842 -7.809 -4.072 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -7.183 -9.302 -4.276 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -8.535 -9.184 -4.083 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -10.171 -7.418 -3.887 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -9.508 -10.166 -3.916 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -11.135 -8.394 -3.722 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -10.800 -9.754 -3.737 1.00 0.00 C ATOM 0 H TRP A 94 -5.452 -4.993 -5.826 1.00 0.00 H new ATOM 0 HA TRP A 94 -8.266 -5.635 -6.318 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.461 -5.355 -3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.185 -5.139 -3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.590 -7.837 -4.543 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.666 -10.180 -4.329 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.440 -6.372 -3.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.252 -11.215 -3.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -12.165 -8.103 -3.579 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -11.577 -10.492 -3.605 1.00 0.00 H new ATOM 1516 N THR A 95 -7.397 -2.717 -6.437 1.00 0.00 N ATOM 1517 CA THR A 95 -7.782 -1.311 -6.458 1.00 0.00 C ATOM 1518 C THR A 95 -9.124 -1.125 -7.158 1.00 0.00 C ATOM 1519 O THR A 95 -9.991 -0.395 -6.675 1.00 0.00 O ATOM 1520 CB THR A 95 -6.708 -0.478 -7.159 1.00 0.00 C ATOM 1521 OG1 THR A 95 -5.419 -0.819 -6.680 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.888 1.012 -6.969 1.00 0.00 C ATOM 0 H THR A 95 -6.604 -2.947 -7.036 1.00 0.00 H new ATOM 0 HA THR A 95 -7.881 -0.971 -5.427 1.00 0.00 H new ATOM 0 HB THR A 95 -6.810 -0.708 -8.220 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.503 -1.315 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.093 1.544 -7.492 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.854 1.316 -7.372 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.847 1.251 -5.906 1.00 0.00 H new ATOM 1530 N SER A 96 -9.290 -1.787 -8.298 1.00 0.00 N ATOM 1531 CA SER A 96 -10.528 -1.693 -9.063 1.00 0.00 C ATOM 1532 C SER A 96 -11.113 -3.079 -9.325 1.00 0.00 C ATOM 1533 O SER A 96 -10.377 -4.052 -9.484 1.00 0.00 O ATOM 1534 CB SER A 96 -10.278 -0.973 -10.389 1.00 0.00 C ATOM 1535 OG SER A 96 -10.461 0.426 -10.254 1.00 0.00 O ATOM 0 H SER A 96 -8.583 -2.394 -8.713 1.00 0.00 H new ATOM 0 HA SER A 96 -11.246 -1.121 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.264 -1.179 -10.732 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.956 -1.360 -11.150 1.00 0.00 H new ATOM 0 HG SER A 96 -10.293 0.862 -11.115 1.00 0.00 H new ATOM 1541 N PRO A 97 -12.453 -3.186 -9.376 1.00 0.00 N ATOM 1542 CA PRO A 97 -13.132 -4.462 -9.621 1.00 0.00 C ATOM 1543 C PRO A 97 -12.998 -4.921 -11.069 1.00 0.00 C ATOM 1544 O PRO A 97 -12.834 -4.105 -11.976 1.00 0.00 O ATOM 1545 CB PRO A 97 -14.593 -4.150 -9.291 1.00 0.00 C ATOM 1546 CG PRO A 97 -14.734 -2.692 -9.551 1.00 0.00 C ATOM 1547 CD PRO A 97 -13.407 -2.075 -9.198 1.00 0.00 C ATOM 0 HA PRO A 97 -12.709 -5.272 -9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.273 -4.731 -9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.825 -4.392 -8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.985 -2.505 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -15.535 -2.264 -8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.170 -1.234 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -13.399 -1.699 -8.175 1.00 0.00 H new ATOM 1555 N ALA A 98 -13.070 -6.231 -11.278 1.00 0.00 N ATOM 1556 CA ALA A 98 -12.958 -6.798 -12.616 1.00 0.00 C ATOM 1557 C ALA A 98 -11.622 -6.434 -13.256 1.00 0.00 C ATOM 1558 O ALA A 98 -11.516 -5.439 -13.972 1.00 0.00 O ATOM 1559 CB ALA A 98 -14.109 -6.324 -13.489 1.00 0.00 C ATOM 0 H ALA A 98 -13.205 -6.920 -10.538 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.006 -7.883 -12.529 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.012 -6.756 -14.485 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -15.054 -6.639 -13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.087 -5.237 -13.561 1.00 0.00 H new ATOM 1565 N GLU A 99 -10.604 -7.246 -12.993 1.00 0.00 N ATOM 1566 CA GLU A 99 -9.274 -7.009 -13.544 1.00 0.00 C ATOM 1567 C GLU A 99 -9.012 -7.915 -14.742 1.00 0.00 C ATOM 1568 O GLU A 99 -8.489 -7.471 -15.765 1.00 0.00 O ATOM 1569 CB GLU A 99 -8.206 -7.241 -12.472 1.00 0.00 C ATOM 1570 CG GLU A 99 -8.279 -6.254 -11.319 1.00 0.00 C ATOM 1571 CD GLU A 99 -7.958 -4.835 -11.743 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -8.800 -4.215 -12.427 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -6.864 -4.343 -11.392 1.00 0.00 O ATOM 0 H GLU A 99 -10.674 -8.074 -12.402 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.226 -5.972 -13.877 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.310 -8.253 -12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.220 -7.177 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.278 -6.282 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.584 -6.562 -10.538 1.00 0.00 H new ATOM 1580 N ASP A 100 -9.381 -9.184 -14.610 1.00 0.00 N ATOM 1581 CA ASP A 100 -9.186 -10.153 -15.683 1.00 0.00 C ATOM 1582 C ASP A 100 -7.708 -10.286 -16.035 1.00 0.00 C ATOM 1583 O ASP A 100 -7.354 -10.539 -17.187 1.00 0.00 O ATOM 1584 CB ASP A 100 -9.982 -9.738 -16.922 1.00 0.00 C ATOM 1585 CG ASP A 100 -10.118 -10.866 -17.926 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -10.920 -11.790 -17.678 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -9.420 -10.826 -18.961 1.00 0.00 O ATOM 0 H ASP A 100 -9.817 -9.566 -13.771 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.546 -11.121 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.974 -9.404 -16.618 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.492 -8.889 -17.398 1.00 0.00 H new ATOM 1592 N SER A 101 -6.849 -10.113 -15.036 1.00 0.00 N ATOM 1593 CA SER A 101 -5.408 -10.212 -15.240 1.00 0.00 C ATOM 1594 C SER A 101 -4.929 -11.646 -15.037 1.00 0.00 C ATOM 1595 O SER A 101 -5.503 -12.345 -14.176 1.00 0.00 O ATOM 1596 CB SER A 101 -4.670 -9.276 -14.283 1.00 0.00 C ATOM 1597 OG SER A 101 -3.460 -8.812 -14.856 1.00 0.00 O ATOM 1598 OXT SER A 101 -3.984 -12.059 -15.742 1.00 0.00 O ATOM 0 H SER A 101 -7.126 -9.904 -14.077 1.00 0.00 H new ATOM 0 HA SER A 101 -5.190 -9.915 -16.266 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.308 -8.427 -14.035 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.458 -9.798 -13.350 1.00 0.00 H new ATOM 0 HG SER A 101 -3.008 -8.214 -14.225 1.00 0.00 H new TER 1604 SER A 101