USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.346 K(o=1,f=-0.53) USER MOD Set 1.2: A 87 SER OG : rot 76:sc= 0.701 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.988 X(o=1.9,f=1.7) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.906 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.0721 (180deg=-1.65) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0978 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.36 K(o=1.4,f=-3.9!) USER MOD Single : A 4 TYR OH : rot 111:sc= 1.07 USER MOD Single : A 13 GLN : amide:sc= 0.827 K(o=0.83,f=-7.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0491 K(o=-0.049,f=-4.9!) USER MOD Single : A 23 MET CE :methyl 165:sc= -0.533 (180deg=-1.01) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.13) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 54 GLN : amide:sc= 0.911 K(o=0.91,f=-0.13) USER MOD Single : A 55 SER OG : rot 83:sc= 1.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.191 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0562) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00375 USER MOD Single : A 84 HIS : no HE2:sc= 0.592 K(o=0.59,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.234 -1.106 1.648 1.00 0.00 N ATOM 2 CA MET A 1 2.671 -0.661 0.346 1.00 0.00 C ATOM 3 C MET A 1 2.601 -1.845 -0.640 1.00 0.00 C ATOM 4 O MET A 1 2.842 -2.987 -0.235 1.00 0.00 O ATOM 5 CB MET A 1 3.444 0.563 -0.195 1.00 0.00 C ATOM 6 CG MET A 1 2.456 1.614 -0.723 1.00 0.00 C ATOM 7 SD MET A 1 3.182 3.085 -1.499 1.00 0.00 S ATOM 8 CE MET A 1 4.117 2.304 -2.837 1.00 0.00 C ATOM 0 H1 MET A 1 2.607 -0.801 2.420 1.00 0.00 H new ATOM 0 H2 MET A 1 3.313 -2.143 1.656 1.00 0.00 H new ATOM 0 H3 MET A 1 4.176 -0.686 1.781 1.00 0.00 H new ATOM 0 HA MET A 1 1.644 -0.322 0.486 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.059 0.994 0.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.120 0.254 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.801 1.133 -1.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.828 1.940 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.238 3.011 -3.658 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.098 2.005 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.579 1.425 -3.192 1.00 0.00 H new ATOM 20 N LEU A 2 2.236 -1.619 -1.910 1.00 0.00 N ATOM 21 CA LEU A 2 2.011 -2.658 -2.921 1.00 0.00 C ATOM 22 C LEU A 2 2.511 -2.169 -4.286 1.00 0.00 C ATOM 23 O LEU A 2 2.938 -1.020 -4.447 1.00 0.00 O ATOM 24 CB LEU A 2 0.502 -2.995 -2.984 1.00 0.00 C ATOM 25 CG LEU A 2 0.075 -4.170 -2.085 1.00 0.00 C ATOM 26 CD1 LEU A 2 -1.420 -4.071 -1.785 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.355 -5.535 -2.731 1.00 0.00 C ATOM 0 H LEU A 2 2.085 -0.677 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 2 2.563 -3.559 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.068 -2.110 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.237 -3.227 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 2 0.663 -4.101 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.719 -4.904 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.627 -3.131 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.982 -4.108 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.036 -6.329 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.194 -5.613 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.423 -5.633 -2.927 1.00 0.00 H new ATOM 39 N GLN A 3 2.447 -3.055 -5.278 1.00 0.00 N ATOM 40 CA GLN A 3 2.918 -2.858 -6.640 1.00 0.00 C ATOM 41 C GLN A 3 2.078 -3.735 -7.573 1.00 0.00 C ATOM 42 O GLN A 3 1.538 -4.749 -7.125 1.00 0.00 O ATOM 43 CB GLN A 3 4.414 -3.231 -6.629 1.00 0.00 C ATOM 44 CG GLN A 3 5.114 -3.470 -7.970 1.00 0.00 C ATOM 45 CD GLN A 3 6.583 -3.811 -7.723 1.00 0.00 C ATOM 46 OE1 GLN A 3 6.899 -4.730 -6.971 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.504 -3.057 -8.288 1.00 0.00 N ATOM 0 H GLN A 3 2.041 -3.981 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 3 2.812 -1.835 -7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.951 -2.436 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.527 -4.135 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.626 -4.283 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.036 -2.582 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.230 -2.297 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.491 -3.233 -8.103 1.00 0.00 H new ATOM 56 N TYR A 4 2.010 -3.390 -8.864 1.00 0.00 N ATOM 57 CA TYR A 4 1.518 -4.273 -9.919 1.00 0.00 C ATOM 58 C TYR A 4 2.558 -4.394 -11.028 1.00 0.00 C ATOM 59 O TYR A 4 3.413 -3.519 -11.194 1.00 0.00 O ATOM 60 CB TYR A 4 0.133 -3.850 -10.473 1.00 0.00 C ATOM 61 CG TYR A 4 -0.003 -2.506 -11.196 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.792 -2.163 -12.314 1.00 0.00 C ATOM 63 CD2 TYR A 4 -1.010 -1.607 -10.793 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.681 -0.901 -12.921 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.124 -0.339 -11.387 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.258 0.034 -12.435 1.00 0.00 C ATOM 67 OH TYR A 4 -0.321 1.293 -12.956 1.00 0.00 O ATOM 0 H TYR A 4 2.301 -2.474 -9.207 1.00 0.00 H new ATOM 0 HA TYR A 4 1.364 -5.255 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.197 -4.628 -11.162 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.567 -3.846 -9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.495 -2.882 -12.707 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.703 -1.896 -10.017 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.313 -0.646 -13.759 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.878 0.352 -11.040 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.156 1.398 -13.458 1.00 0.00 H new ATOM 77 N ARG A 5 2.399 -5.428 -11.853 1.00 0.00 N ATOM 78 CA ARG A 5 2.924 -5.495 -13.212 1.00 0.00 C ATOM 79 C ARG A 5 1.789 -6.055 -14.061 1.00 0.00 C ATOM 80 O ARG A 5 1.065 -6.944 -13.608 1.00 0.00 O ATOM 81 CB ARG A 5 4.192 -6.364 -13.263 1.00 0.00 C ATOM 82 CG ARG A 5 4.989 -6.143 -14.562 1.00 0.00 C ATOM 83 CD ARG A 5 6.301 -6.934 -14.516 1.00 0.00 C ATOM 84 NE ARG A 5 7.161 -6.656 -15.680 1.00 0.00 N ATOM 85 CZ ARG A 5 8.301 -7.288 -15.981 1.00 0.00 C ATOM 86 NH1 ARG A 5 8.778 -8.264 -15.208 1.00 0.00 N ATOM 87 NH2 ARG A 5 8.952 -6.921 -17.074 1.00 0.00 N ATOM 0 H ARG A 5 1.885 -6.267 -11.584 1.00 0.00 H new ATOM 0 HA ARG A 5 3.232 -4.519 -13.588 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.824 -6.134 -12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.915 -7.415 -13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.395 -6.458 -15.420 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.200 -5.082 -14.692 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.840 -6.687 -13.601 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.079 -8.000 -14.477 1.00 0.00 H new ATOM 0 HE ARG A 5 6.860 -5.915 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.272 -8.543 -14.368 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.649 -8.732 -15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.582 -6.174 -17.662 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.824 -7.385 -17.328 1.00 0.00 H new ATOM 101 N ILE A 6 1.587 -5.512 -15.253 1.00 0.00 N ATOM 102 CA ILE A 6 0.422 -5.771 -16.091 1.00 0.00 C ATOM 103 C ILE A 6 0.956 -5.924 -17.508 1.00 0.00 C ATOM 104 O ILE A 6 1.866 -5.190 -17.898 1.00 0.00 O ATOM 105 CB ILE A 6 -0.585 -4.595 -15.985 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.084 -4.383 -14.538 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.788 -4.769 -16.935 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.850 -3.073 -14.344 1.00 0.00 C ATOM 0 H ILE A 6 2.247 -4.860 -15.677 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.116 -6.667 -15.782 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.035 -3.705 -16.291 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.728 -5.217 -14.258 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.230 -4.399 -13.861 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.464 -3.921 -16.824 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.434 -4.819 -17.965 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.317 -5.690 -16.688 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.171 -2.989 -13.306 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.202 -2.232 -14.592 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.724 -3.063 -14.996 1.00 0.00 H new ATOM 120 N ILE A 7 0.364 -6.826 -18.287 1.00 0.00 N ATOM 121 CA ILE A 7 0.616 -6.963 -19.715 1.00 0.00 C ATOM 122 C ILE A 7 -0.754 -7.008 -20.394 1.00 0.00 C ATOM 123 O ILE A 7 -1.681 -7.642 -19.880 1.00 0.00 O ATOM 124 CB ILE A 7 1.484 -8.202 -20.081 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.830 -9.204 -18.951 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.757 -7.739 -20.807 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.006 -8.825 -18.035 1.00 0.00 C ATOM 0 H ILE A 7 -0.319 -7.496 -17.933 1.00 0.00 H new ATOM 0 HA ILE A 7 1.207 -6.116 -20.064 1.00 0.00 H new ATOM 0 HB ILE A 7 0.835 -8.794 -20.727 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.944 -9.338 -18.331 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.050 -10.170 -19.406 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.365 -8.606 -21.064 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.483 -7.206 -21.717 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.327 -7.076 -20.156 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.149 -9.604 -17.286 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.913 -8.723 -18.631 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.790 -7.879 -17.538 1.00 0.00 H new ATOM 139 N VAL A 8 -0.892 -6.310 -21.520 1.00 0.00 N ATOM 140 CA VAL A 8 -2.174 -6.048 -22.162 1.00 0.00 C ATOM 141 C VAL A 8 -2.022 -6.074 -23.685 1.00 0.00 C ATOM 142 O VAL A 8 -0.995 -5.651 -24.221 1.00 0.00 O ATOM 143 CB VAL A 8 -2.746 -4.694 -21.663 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.611 -4.902 -20.421 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.696 -3.625 -21.317 1.00 0.00 C ATOM 0 H VAL A 8 -0.100 -5.904 -22.019 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.882 -6.832 -21.892 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.321 -4.323 -22.512 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.003 -3.942 -20.086 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.439 -5.568 -20.662 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.008 -5.345 -19.628 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.198 -2.718 -20.979 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.046 -3.997 -20.525 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.099 -3.401 -22.201 1.00 0.00 H new ATOM 155 N ASP A 9 -3.065 -6.530 -24.381 1.00 0.00 N ATOM 156 CA ASP A 9 -3.189 -6.526 -25.839 1.00 0.00 C ATOM 157 C ASP A 9 -4.636 -6.184 -26.191 1.00 0.00 C ATOM 158 O ASP A 9 -5.539 -6.433 -25.391 1.00 0.00 O ATOM 159 CB ASP A 9 -2.821 -7.895 -26.428 1.00 0.00 C ATOM 160 CG ASP A 9 -3.013 -7.936 -27.953 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.570 -6.993 -28.646 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.587 -8.923 -28.466 1.00 0.00 O ATOM 0 H ASP A 9 -3.883 -6.930 -23.922 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.505 -5.789 -26.259 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.784 -8.126 -26.187 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.436 -8.666 -25.964 1.00 0.00 H new ATOM 167 N GLY A 10 -4.863 -5.586 -27.359 1.00 0.00 N ATOM 168 CA GLY A 10 -6.143 -5.062 -27.799 1.00 0.00 C ATOM 169 C GLY A 10 -5.867 -3.886 -28.724 1.00 0.00 C ATOM 170 O GLY A 10 -4.776 -3.788 -29.298 1.00 0.00 O ATOM 0 H GLY A 10 -4.125 -5.450 -28.050 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.713 -5.832 -28.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.741 -4.745 -26.945 1.00 0.00 H new ATOM 174 N ARG A 11 -6.805 -2.940 -28.814 1.00 0.00 N ATOM 175 CA ARG A 11 -6.474 -1.594 -29.282 1.00 0.00 C ATOM 176 C ARG A 11 -5.774 -0.897 -28.116 1.00 0.00 C ATOM 177 O ARG A 11 -6.382 -0.071 -27.436 1.00 0.00 O ATOM 178 CB ARG A 11 -7.727 -0.848 -29.790 1.00 0.00 C ATOM 179 CG ARG A 11 -7.455 0.528 -30.431 1.00 0.00 C ATOM 180 CD ARG A 11 -6.918 0.472 -31.868 1.00 0.00 C ATOM 181 NE ARG A 11 -5.467 0.216 -31.920 1.00 0.00 N ATOM 182 CZ ARG A 11 -4.838 -0.804 -32.514 1.00 0.00 C ATOM 183 NH1 ARG A 11 -5.513 -1.799 -33.083 1.00 0.00 N ATOM 184 NH2 ARG A 11 -3.512 -0.814 -32.512 1.00 0.00 N ATOM 0 H ARG A 11 -7.786 -3.079 -28.572 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.810 -1.616 -30.146 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.234 -1.478 -30.521 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.414 -0.713 -28.954 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.380 1.105 -30.426 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.739 1.067 -29.811 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.441 -0.310 -32.418 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.135 1.415 -32.370 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.873 0.897 -31.447 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.533 -1.795 -33.072 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.011 -2.566 -33.530 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.997 -0.056 -32.065 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.007 -1.580 -32.958 1.00 0.00 H new ATOM 198 N VAL A 12 -4.525 -1.279 -27.857 1.00 0.00 N ATOM 199 CA VAL A 12 -3.720 -0.771 -26.747 1.00 0.00 C ATOM 200 C VAL A 12 -2.593 0.127 -27.257 1.00 0.00 C ATOM 201 O VAL A 12 -1.756 0.533 -26.464 1.00 0.00 O ATOM 202 CB VAL A 12 -3.202 -1.928 -25.858 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.363 -2.678 -25.192 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.302 -2.931 -26.602 1.00 0.00 C ATOM 0 H VAL A 12 -4.032 -1.967 -28.427 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.356 -0.152 -26.114 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.585 -1.449 -25.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.968 -3.485 -24.574 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.932 -1.988 -24.568 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.015 -3.095 -25.960 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.979 -3.711 -25.913 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.860 -3.381 -27.424 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.429 -2.412 -26.997 1.00 0.00 H new ATOM 214 N GLN A 13 -2.528 0.450 -28.552 1.00 0.00 N ATOM 215 CA GLN A 13 -1.563 1.402 -29.117 1.00 0.00 C ATOM 216 C GLN A 13 -2.200 2.069 -30.336 1.00 0.00 C ATOM 217 O GLN A 13 -3.188 1.562 -30.875 1.00 0.00 O ATOM 218 CB GLN A 13 -0.249 0.704 -29.546 1.00 0.00 C ATOM 219 CG GLN A 13 0.678 0.191 -28.430 1.00 0.00 C ATOM 220 CD GLN A 13 1.321 1.295 -27.582 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.389 1.806 -27.901 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.723 1.672 -26.466 1.00 0.00 N ATOM 0 H GLN A 13 -3.155 0.051 -29.251 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.313 2.137 -28.352 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.509 -0.142 -30.183 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.319 1.403 -30.160 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.108 -0.468 -27.775 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.468 -0.412 -28.879 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.166 1.250 -26.196 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.150 2.385 -25.874 1.00 0.00 H new ATOM 281 N ARG A 18 -0.991 4.691 -24.476 1.00 0.00 N ATOM 282 CA ARG A 18 0.240 4.800 -23.689 1.00 0.00 C ATOM 283 C ARG A 18 0.206 6.059 -22.807 1.00 0.00 C ATOM 284 O ARG A 18 0.638 6.006 -21.656 1.00 0.00 O ATOM 285 CB ARG A 18 1.474 4.750 -24.621 1.00 0.00 C ATOM 286 CG ARG A 18 2.709 4.196 -23.890 1.00 0.00 C ATOM 287 CD ARG A 18 4.036 4.274 -24.668 1.00 0.00 C ATOM 288 NE ARG A 18 4.044 3.528 -25.942 1.00 0.00 N ATOM 289 CZ ARG A 18 5.094 3.421 -26.767 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.291 3.907 -26.472 1.00 0.00 N ATOM 291 NH2 ARG A 18 4.969 2.807 -27.931 1.00 0.00 N ATOM 0 HA ARG A 18 0.317 3.949 -23.013 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.252 4.127 -25.487 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.690 5.751 -24.995 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.827 4.738 -22.952 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.520 3.153 -23.634 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.261 5.321 -24.873 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.837 3.894 -24.034 1.00 0.00 H new ATOM 0 HE ARG A 18 3.182 3.057 -26.216 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.442 4.387 -25.585 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.061 3.801 -27.132 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.070 2.412 -28.205 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.772 2.729 -28.555 1.00 0.00 H new ATOM 305 N TYR A 19 -0.349 7.168 -23.311 1.00 0.00 N ATOM 306 CA TYR A 19 -0.563 8.369 -22.511 1.00 0.00 C ATOM 307 C TYR A 19 -1.713 8.157 -21.524 1.00 0.00 C ATOM 308 O TYR A 19 -1.545 8.455 -20.344 1.00 0.00 O ATOM 309 CB TYR A 19 -0.838 9.583 -23.411 1.00 0.00 C ATOM 310 CG TYR A 19 -1.240 10.821 -22.629 1.00 0.00 C ATOM 311 CD1 TYR A 19 -0.274 11.534 -21.892 1.00 0.00 C ATOM 312 CD2 TYR A 19 -2.591 11.220 -22.580 1.00 0.00 C ATOM 313 CE1 TYR A 19 -0.653 12.638 -21.109 1.00 0.00 C ATOM 314 CE2 TYR A 19 -2.979 12.323 -21.798 1.00 0.00 C ATOM 315 CZ TYR A 19 -2.008 13.037 -21.055 1.00 0.00 C ATOM 316 OH TYR A 19 -2.364 14.107 -20.288 1.00 0.00 O ATOM 0 H TYR A 19 -0.659 7.253 -24.279 1.00 0.00 H new ATOM 0 HA TYR A 19 0.346 8.568 -21.944 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.054 9.804 -23.997 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.630 9.333 -24.117 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.762 11.231 -21.929 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.332 10.676 -23.146 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.092 13.182 -20.548 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.015 12.625 -21.764 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.330 14.253 -20.359 1.00 0.00 H new ATOM 326 N PHE A 20 -2.860 7.626 -21.971 1.00 0.00 N ATOM 327 CA PHE A 20 -4.033 7.406 -21.119 1.00 0.00 C ATOM 328 C PHE A 20 -3.675 6.602 -19.877 1.00 0.00 C ATOM 329 O PHE A 20 -4.076 6.986 -18.781 1.00 0.00 O ATOM 330 CB PHE A 20 -5.178 6.740 -21.918 1.00 0.00 C ATOM 331 CG PHE A 20 -6.064 5.784 -21.125 1.00 0.00 C ATOM 332 CD1 PHE A 20 -5.703 4.426 -21.007 1.00 0.00 C ATOM 333 CD2 PHE A 20 -7.222 6.247 -20.471 1.00 0.00 C ATOM 334 CE1 PHE A 20 -6.458 3.547 -20.206 1.00 0.00 C ATOM 335 CE2 PHE A 20 -7.994 5.365 -19.693 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.607 4.020 -19.551 1.00 0.00 C ATOM 0 H PHE A 20 -2.999 7.336 -22.939 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.388 8.379 -20.780 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.807 7.524 -22.340 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.743 6.194 -22.755 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.838 4.056 -21.537 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.518 7.281 -20.567 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.155 2.516 -20.096 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.888 5.722 -19.203 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.193 3.351 -18.938 1.00 0.00 H new ATOM 346 N VAL A 21 -2.880 5.545 -20.031 1.00 0.00 N ATOM 347 CA VAL A 21 -2.414 4.724 -18.932 1.00 0.00 C ATOM 348 C VAL A 21 -1.758 5.621 -17.873 1.00 0.00 C ATOM 349 O VAL A 21 -2.145 5.568 -16.706 1.00 0.00 O ATOM 350 CB VAL A 21 -1.515 3.613 -19.523 1.00 0.00 C ATOM 351 CG1 VAL A 21 -0.515 3.034 -18.521 1.00 0.00 C ATOM 352 CG2 VAL A 21 -2.397 2.489 -20.101 1.00 0.00 C ATOM 0 H VAL A 21 -2.540 5.236 -20.941 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.220 4.216 -18.403 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.921 4.076 -20.311 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.080 2.261 -19.007 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.142 3.827 -18.163 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.054 2.601 -17.678 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.763 1.706 -20.517 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.018 2.070 -19.309 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.035 2.895 -20.886 1.00 0.00 H new ATOM 362 N GLN A 22 -0.851 6.523 -18.252 1.00 0.00 N ATOM 363 CA GLN A 22 -0.211 7.378 -17.264 1.00 0.00 C ATOM 364 C GLN A 22 -1.089 8.543 -16.808 1.00 0.00 C ATOM 365 O GLN A 22 -0.877 9.048 -15.708 1.00 0.00 O ATOM 366 CB GLN A 22 1.165 7.830 -17.750 1.00 0.00 C ATOM 367 CG GLN A 22 2.148 6.687 -18.083 1.00 0.00 C ATOM 368 CD GLN A 22 2.383 5.606 -17.007 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.495 5.151 -16.299 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.603 5.131 -16.847 1.00 0.00 N ATOM 0 H GLN A 22 -0.551 6.675 -19.215 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.065 6.775 -16.368 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.035 8.447 -18.639 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.614 8.463 -16.985 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.791 6.190 -18.985 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.112 7.134 -18.325 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.368 5.487 -17.420 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.781 4.408 -16.150 1.00 0.00 H new ATOM 379 N MET A 23 -2.104 8.938 -17.578 1.00 0.00 N ATOM 380 CA MET A 23 -3.101 9.895 -17.109 1.00 0.00 C ATOM 381 C MET A 23 -3.921 9.258 -15.977 1.00 0.00 C ATOM 382 O MET A 23 -4.149 9.904 -14.955 1.00 0.00 O ATOM 383 CB MET A 23 -3.937 10.456 -18.285 1.00 0.00 C ATOM 384 CG MET A 23 -5.457 10.266 -18.170 1.00 0.00 C ATOM 385 SD MET A 23 -6.458 11.248 -19.322 1.00 0.00 S ATOM 386 CE MET A 23 -6.291 10.236 -20.811 1.00 0.00 C ATOM 0 H MET A 23 -2.255 8.608 -18.531 1.00 0.00 H new ATOM 0 HA MET A 23 -2.616 10.773 -16.682 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.728 11.522 -18.379 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.598 9.982 -19.206 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.686 9.212 -18.325 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.760 10.512 -17.152 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.045 10.534 -21.540 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.298 10.377 -21.237 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.430 9.186 -20.555 1.00 0.00 H new ATOM 396 N GLU A 24 -4.327 7.991 -16.106 1.00 0.00 N ATOM 397 CA GLU A 24 -5.079 7.300 -15.071 1.00 0.00 C ATOM 398 C GLU A 24 -4.174 6.998 -13.874 1.00 0.00 C ATOM 399 O GLU A 24 -4.622 7.103 -12.732 1.00 0.00 O ATOM 400 CB GLU A 24 -5.716 6.025 -15.647 1.00 0.00 C ATOM 401 CG GLU A 24 -6.775 6.299 -16.730 1.00 0.00 C ATOM 402 CD GLU A 24 -7.984 7.077 -16.194 1.00 0.00 C ATOM 403 OE1 GLU A 24 -7.958 8.327 -16.176 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.967 6.447 -15.743 1.00 0.00 O ATOM 0 H GLU A 24 -4.141 7.422 -16.932 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.886 7.941 -14.717 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.932 5.396 -16.069 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.176 5.461 -14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.318 6.861 -17.544 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.114 5.351 -17.148 1.00 0.00 H new ATOM 411 N ALA A 25 -2.894 6.691 -14.116 1.00 0.00 N ATOM 412 CA ALA A 25 -1.905 6.525 -13.060 1.00 0.00 C ATOM 413 C ALA A 25 -1.762 7.816 -12.254 1.00 0.00 C ATOM 414 O ALA A 25 -1.812 7.771 -11.030 1.00 0.00 O ATOM 415 CB ALA A 25 -0.559 6.122 -13.665 1.00 0.00 C ATOM 0 H ALA A 25 -2.520 6.552 -15.055 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.239 5.736 -12.386 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.176 6.000 -12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.670 5.181 -14.204 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.223 6.897 -14.353 1.00 0.00 H new ATOM 421 N ASP A 26 -1.634 8.966 -12.925 1.00 0.00 N ATOM 422 CA ASP A 26 -1.549 10.279 -12.282 1.00 0.00 C ATOM 423 C ASP A 26 -2.826 10.590 -11.506 1.00 0.00 C ATOM 424 O ASP A 26 -2.770 11.056 -10.371 1.00 0.00 O ATOM 425 CB ASP A 26 -1.321 11.383 -13.319 1.00 0.00 C ATOM 426 CG ASP A 26 -1.375 12.773 -12.662 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.568 13.051 -11.747 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.229 13.595 -13.059 1.00 0.00 O ATOM 0 H ASP A 26 -1.586 9.010 -13.943 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.704 10.247 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.353 11.241 -13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.078 11.316 -14.100 1.00 0.00 H new ATOM 433 N LYS A 27 -3.988 10.267 -12.079 1.00 0.00 N ATOM 434 CA LYS A 27 -5.281 10.418 -11.419 1.00 0.00 C ATOM 435 C LYS A 27 -5.352 9.595 -10.124 1.00 0.00 C ATOM 436 O LYS A 27 -6.020 10.013 -9.180 1.00 0.00 O ATOM 437 CB LYS A 27 -6.377 10.116 -12.460 1.00 0.00 C ATOM 438 CG LYS A 27 -7.825 10.081 -11.943 1.00 0.00 C ATOM 439 CD LYS A 27 -8.274 8.671 -11.520 1.00 0.00 C ATOM 440 CE LYS A 27 -8.460 7.679 -12.679 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.584 8.040 -13.576 1.00 0.00 N ATOM 0 H LYS A 27 -4.055 9.890 -13.024 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.438 11.439 -11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.314 10.866 -13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.155 9.152 -12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.919 10.757 -11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.493 10.452 -12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.539 8.264 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.215 8.753 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.539 7.631 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.632 6.682 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.661 7.336 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.470 8.059 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.411 8.979 -13.989 1.00 0.00 H new ATOM 455 N ARG A 28 -4.640 8.464 -10.039 1.00 0.00 N ATOM 456 CA ARG A 28 -4.514 7.655 -8.819 1.00 0.00 C ATOM 457 C ARG A 28 -3.205 7.936 -8.055 1.00 0.00 C ATOM 458 O ARG A 28 -2.924 7.240 -7.081 1.00 0.00 O ATOM 459 CB ARG A 28 -4.643 6.157 -9.175 1.00 0.00 C ATOM 460 CG ARG A 28 -6.010 5.703 -9.719 1.00 0.00 C ATOM 461 CD ARG A 28 -7.242 6.120 -8.895 1.00 0.00 C ATOM 462 NE ARG A 28 -7.131 5.797 -7.459 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.161 5.650 -6.609 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.416 5.759 -7.037 1.00 0.00 N ATOM 465 NH2 ARG A 28 -7.928 5.396 -5.324 1.00 0.00 N ATOM 0 H ARG A 28 -4.126 8.078 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.324 7.937 -8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.882 5.914 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.418 5.572 -8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.124 6.096 -10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.003 4.616 -9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.396 7.193 -9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.125 5.627 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.192 5.675 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.604 5.956 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.190 5.645 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.969 5.313 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.708 5.284 -4.677 1.00 0.00 H new ATOM 479 N LYS A 29 -2.412 8.933 -8.468 1.00 0.00 N ATOM 480 CA LYS A 29 -1.064 9.248 -7.970 1.00 0.00 C ATOM 481 C LYS A 29 -0.186 8.004 -7.770 1.00 0.00 C ATOM 482 O LYS A 29 0.558 7.899 -6.793 1.00 0.00 O ATOM 483 CB LYS A 29 -1.141 10.192 -6.748 1.00 0.00 C ATOM 484 CG LYS A 29 -1.811 11.546 -7.047 1.00 0.00 C ATOM 485 CD LYS A 29 -0.988 12.437 -7.996 1.00 0.00 C ATOM 486 CE LYS A 29 -1.799 13.668 -8.414 1.00 0.00 C ATOM 487 NZ LYS A 29 -1.078 14.485 -9.418 1.00 0.00 N ATOM 0 H LYS A 29 -2.709 9.579 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.537 9.801 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.692 9.694 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.132 10.371 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.793 11.369 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.973 12.078 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.068 12.751 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.699 11.868 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.757 13.350 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.014 14.277 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.672 15.290 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.190 14.837 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.865 13.902 -10.252 1.00 0.00 H new ATOM 501 N LEU A 30 -0.267 7.061 -8.709 1.00 0.00 N ATOM 502 CA LEU A 30 0.675 5.955 -8.848 1.00 0.00 C ATOM 503 C LEU A 30 1.974 6.476 -9.476 1.00 0.00 C ATOM 504 O LEU A 30 1.984 7.554 -10.078 1.00 0.00 O ATOM 505 CB LEU A 30 0.046 4.868 -9.740 1.00 0.00 C ATOM 506 CG LEU A 30 -1.194 4.184 -9.136 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.735 3.153 -10.127 1.00 0.00 C ATOM 508 CD2 LEU A 30 -0.888 3.499 -7.802 1.00 0.00 C ATOM 0 H LEU A 30 -1.008 7.047 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 30 0.901 5.527 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.230 5.315 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.798 4.108 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.938 4.957 -8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.613 2.666 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.010 3.651 -11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.968 2.405 -10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.794 3.032 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.122 2.738 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.529 4.239 -7.087 1.00 0.00 H new ATOM 520 N ALA A 31 3.058 5.697 -9.391 1.00 0.00 N ATOM 521 CA ALA A 31 4.339 6.003 -10.026 1.00 0.00 C ATOM 522 C ALA A 31 4.952 4.696 -10.539 1.00 0.00 C ATOM 523 O ALA A 31 4.802 3.667 -9.878 1.00 0.00 O ATOM 524 CB ALA A 31 5.255 6.688 -9.004 1.00 0.00 C ATOM 0 H ALA A 31 3.067 4.821 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 31 4.206 6.681 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.212 6.919 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.788 7.610 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.416 6.022 -8.156 1.00 0.00 H new ATOM 530 N GLY A 32 5.609 4.724 -11.703 1.00 0.00 N ATOM 531 CA GLY A 32 6.027 3.526 -12.424 1.00 0.00 C ATOM 532 C GLY A 32 6.326 3.812 -13.892 1.00 0.00 C ATOM 533 O GLY A 32 6.631 4.958 -14.237 1.00 0.00 O ATOM 0 H GLY A 32 5.867 5.592 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.915 3.109 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.244 2.771 -12.355 1.00 0.00 H new ATOM 537 N TRP A 33 6.220 2.808 -14.772 1.00 0.00 N ATOM 538 CA TRP A 33 6.473 2.949 -16.207 1.00 0.00 C ATOM 539 C TRP A 33 5.370 2.319 -17.065 1.00 0.00 C ATOM 540 O TRP A 33 4.627 1.448 -16.606 1.00 0.00 O ATOM 541 CB TRP A 33 7.866 2.403 -16.584 1.00 0.00 C ATOM 542 CG TRP A 33 8.135 0.916 -16.545 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.437 -0.057 -17.184 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.267 0.222 -15.929 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.030 -1.286 -16.979 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.189 -1.169 -16.248 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.378 0.632 -15.159 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.161 -2.095 -15.841 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.356 -0.290 -14.733 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.252 -1.649 -15.075 1.00 0.00 C ATOM 0 H TRP A 33 5.952 1.862 -14.500 1.00 0.00 H new ATOM 0 HA TRP A 33 6.460 4.017 -16.425 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.084 2.745 -17.596 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.590 2.880 -15.923 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.545 0.107 -17.770 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.656 -2.169 -17.326 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.480 1.673 -14.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.072 -3.137 -16.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.191 0.051 -14.139 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.008 -2.349 -14.750 1.00 0.00 H new ATOM 561 N VAL A 34 5.326 2.706 -18.342 1.00 0.00 N ATOM 562 CA VAL A 34 4.612 2.000 -19.407 1.00 0.00 C ATOM 563 C VAL A 34 5.557 1.872 -20.605 1.00 0.00 C ATOM 564 O VAL A 34 6.367 2.770 -20.863 1.00 0.00 O ATOM 565 CB VAL A 34 3.270 2.695 -19.722 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.455 4.108 -20.287 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.414 1.868 -20.691 1.00 0.00 C ATOM 0 H VAL A 34 5.801 3.546 -18.673 1.00 0.00 H new ATOM 0 HA VAL A 34 4.332 0.992 -19.100 1.00 0.00 H new ATOM 0 HB VAL A 34 2.751 2.776 -18.767 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.479 4.549 -20.490 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.987 4.723 -19.562 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.030 4.058 -21.212 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.478 2.391 -20.887 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.955 1.729 -21.627 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.200 0.895 -20.248 1.00 0.00 H new ATOM 577 N LYS A 35 5.468 0.752 -21.324 1.00 0.00 N ATOM 578 CA LYS A 35 6.298 0.432 -22.484 1.00 0.00 C ATOM 579 C LYS A 35 5.505 -0.448 -23.446 1.00 0.00 C ATOM 580 O LYS A 35 4.490 -1.026 -23.052 1.00 0.00 O ATOM 581 CB LYS A 35 7.599 -0.252 -22.017 1.00 0.00 C ATOM 582 CG LYS A 35 7.397 -1.596 -21.294 1.00 0.00 C ATOM 583 CD LYS A 35 8.712 -2.173 -20.749 1.00 0.00 C ATOM 584 CE LYS A 35 9.655 -2.615 -21.879 1.00 0.00 C ATOM 585 NZ LYS A 35 10.910 -3.218 -21.360 1.00 0.00 N ATOM 0 H LYS A 35 4.793 0.019 -21.107 1.00 0.00 H new ATOM 0 HA LYS A 35 6.575 1.343 -23.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.239 -0.414 -22.884 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.131 0.427 -21.351 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.695 -1.461 -20.472 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.948 -2.312 -21.983 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.210 -1.424 -20.133 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.495 -3.024 -20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.143 -3.337 -22.515 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.898 -1.756 -22.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.515 -3.501 -22.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.413 -2.522 -20.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.682 -4.054 -20.785 1.00 0.00 H new ATOM 599 N ASN A 36 5.982 -0.606 -24.682 1.00 0.00 N ATOM 600 CA ASN A 36 5.466 -1.616 -25.606 1.00 0.00 C ATOM 601 C ASN A 36 6.564 -2.658 -25.812 1.00 0.00 C ATOM 602 O ASN A 36 7.683 -2.313 -26.193 1.00 0.00 O ATOM 603 CB ASN A 36 5.009 -0.992 -26.933 1.00 0.00 C ATOM 604 CG ASN A 36 4.450 -2.068 -27.862 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.071 -2.428 -28.856 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.280 -2.608 -27.552 1.00 0.00 N ATOM 0 H ASN A 36 6.736 -0.038 -25.070 1.00 0.00 H new ATOM 0 HA ASN A 36 4.580 -2.091 -25.185 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.248 -0.235 -26.743 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.848 -0.488 -27.413 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.881 -3.336 -28.145 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.778 -2.295 -26.721 1.00 0.00 H new ATOM 613 N ARG A 37 6.267 -3.918 -25.501 1.00 0.00 N ATOM 614 CA ARG A 37 7.218 -5.025 -25.568 1.00 0.00 C ATOM 615 C ARG A 37 7.457 -5.381 -27.031 1.00 0.00 C ATOM 616 O ARG A 37 6.565 -5.218 -27.865 1.00 0.00 O ATOM 617 CB ARG A 37 6.634 -6.246 -24.835 1.00 0.00 C ATOM 618 CG ARG A 37 6.462 -6.036 -23.319 1.00 0.00 C ATOM 619 CD ARG A 37 5.597 -7.138 -22.692 1.00 0.00 C ATOM 620 NE ARG A 37 6.134 -8.482 -22.931 1.00 0.00 N ATOM 621 CZ ARG A 37 6.991 -9.152 -22.154 1.00 0.00 C ATOM 622 NH1 ARG A 37 7.437 -8.656 -21.001 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.395 -10.343 -22.575 1.00 0.00 N ATOM 0 H ARG A 37 5.339 -4.204 -25.189 1.00 0.00 H new ATOM 0 HA ARG A 37 8.158 -4.736 -25.097 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.665 -6.491 -25.271 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.285 -7.104 -25.002 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.441 -6.023 -22.839 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.004 -5.064 -23.135 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.520 -6.967 -21.618 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.587 -7.077 -23.098 1.00 0.00 H new ATOM 0 HE ARG A 37 5.821 -8.955 -23.779 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.125 -7.737 -20.686 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.091 -9.195 -20.433 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.052 -10.714 -23.461 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.049 -10.888 -22.013 1.00 0.00 H new ATOM 637 N ASP A 38 8.625 -5.952 -27.330 1.00 0.00 N ATOM 638 CA ASP A 38 8.954 -6.435 -28.674 1.00 0.00 C ATOM 639 C ASP A 38 7.977 -7.525 -29.131 1.00 0.00 C ATOM 640 O ASP A 38 7.665 -7.622 -30.318 1.00 0.00 O ATOM 641 CB ASP A 38 10.387 -6.975 -28.699 1.00 0.00 C ATOM 642 CG ASP A 38 10.746 -7.546 -30.082 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.952 -6.757 -31.032 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.862 -8.785 -30.219 1.00 0.00 O ATOM 0 H ASP A 38 9.370 -6.093 -26.648 1.00 0.00 H new ATOM 0 HA ASP A 38 8.869 -5.595 -29.364 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.083 -6.177 -28.441 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.498 -7.752 -27.943 1.00 0.00 H new ATOM 649 N ASP A 39 7.455 -8.317 -28.185 1.00 0.00 N ATOM 650 CA ASP A 39 6.454 -9.354 -28.451 1.00 0.00 C ATOM 651 C ASP A 39 5.068 -8.789 -28.809 1.00 0.00 C ATOM 652 O ASP A 39 4.216 -9.538 -29.294 1.00 0.00 O ATOM 653 CB ASP A 39 6.378 -10.370 -27.298 1.00 0.00 C ATOM 654 CG ASP A 39 5.705 -9.898 -26.003 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.859 -8.979 -25.994 1.00 0.00 O ATOM 656 OD2 ASP A 39 5.987 -10.501 -24.945 1.00 0.00 O ATOM 0 H ASP A 39 7.720 -8.253 -27.202 1.00 0.00 H new ATOM 0 HA ASP A 39 6.795 -9.882 -29.341 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.845 -11.251 -27.656 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.393 -10.687 -27.057 1.00 0.00 H new ATOM 661 N GLY A 40 4.843 -7.485 -28.618 1.00 0.00 N ATOM 662 CA GLY A 40 3.679 -6.757 -29.098 1.00 0.00 C ATOM 663 C GLY A 40 2.797 -6.225 -27.970 1.00 0.00 C ATOM 664 O GLY A 40 2.134 -5.204 -28.173 1.00 0.00 O ATOM 0 H GLY A 40 5.495 -6.892 -28.105 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.010 -5.923 -29.717 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.086 -7.412 -29.736 1.00 0.00 H new ATOM 668 N ARG A 41 2.773 -6.868 -26.792 1.00 0.00 N ATOM 669 CA ARG A 41 1.918 -6.408 -25.692 1.00 0.00 C ATOM 670 C ARG A 41 2.410 -5.050 -25.198 1.00 0.00 C ATOM 671 O ARG A 41 3.611 -4.779 -25.203 1.00 0.00 O ATOM 672 CB ARG A 41 1.903 -7.400 -24.514 1.00 0.00 C ATOM 673 CG ARG A 41 0.924 -8.577 -24.631 1.00 0.00 C ATOM 674 CD ARG A 41 1.342 -9.660 -25.631 1.00 0.00 C ATOM 675 NE ARG A 41 2.556 -10.355 -25.175 1.00 0.00 N ATOM 676 CZ ARG A 41 2.616 -11.462 -24.423 1.00 0.00 C ATOM 677 NH1 ARG A 41 1.507 -12.089 -24.036 1.00 0.00 N ATOM 678 NH2 ARG A 41 3.800 -11.935 -24.056 1.00 0.00 N ATOM 0 H ARG A 41 3.329 -7.697 -26.580 1.00 0.00 H new ATOM 0 HA ARG A 41 0.901 -6.331 -26.077 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.909 -7.802 -24.392 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.668 -6.848 -23.604 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.808 -9.034 -23.648 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.053 -8.192 -24.921 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.532 -10.378 -25.755 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.521 -9.210 -26.607 1.00 0.00 H new ATOM 0 HE ARG A 41 3.447 -9.951 -25.462 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.594 -11.728 -24.312 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.570 -12.931 -23.464 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.653 -11.456 -24.346 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.858 -12.777 -23.483 1.00 0.00 H new ATOM 692 N VAL A 42 1.506 -4.215 -24.696 1.00 0.00 N ATOM 693 CA VAL A 42 1.901 -3.134 -23.803 1.00 0.00 C ATOM 694 C VAL A 42 2.154 -3.768 -22.440 1.00 0.00 C ATOM 695 O VAL A 42 1.515 -4.755 -22.075 1.00 0.00 O ATOM 696 CB VAL A 42 0.819 -2.037 -23.788 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.914 -1.081 -22.588 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.936 -1.221 -25.074 1.00 0.00 C ATOM 0 H VAL A 42 0.506 -4.265 -24.890 1.00 0.00 H new ATOM 0 HA VAL A 42 2.811 -2.631 -24.131 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.142 -2.545 -23.707 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.118 -0.339 -22.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.810 -1.647 -21.662 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.881 -0.578 -22.599 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.176 -0.439 -25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.925 -0.766 -25.128 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.790 -1.874 -25.934 1.00 0.00 H new ATOM 708 N GLU A 43 3.067 -3.177 -21.680 1.00 0.00 N ATOM 709 CA GLU A 43 3.381 -3.574 -20.325 1.00 0.00 C ATOM 710 C GLU A 43 3.354 -2.321 -19.462 1.00 0.00 C ATOM 711 O GLU A 43 3.773 -1.246 -19.902 1.00 0.00 O ATOM 712 CB GLU A 43 4.755 -4.243 -20.306 1.00 0.00 C ATOM 713 CG GLU A 43 5.104 -4.822 -18.932 1.00 0.00 C ATOM 714 CD GLU A 43 6.528 -5.382 -18.880 1.00 0.00 C ATOM 715 OE1 GLU A 43 6.866 -6.298 -19.662 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.304 -4.934 -18.005 1.00 0.00 O ATOM 0 H GLU A 43 3.623 -2.385 -22.005 1.00 0.00 H new ATOM 0 HA GLU A 43 2.659 -4.292 -19.937 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.778 -5.040 -21.049 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.514 -3.516 -20.594 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.994 -4.046 -18.175 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.396 -5.613 -18.683 1.00 0.00 H new ATOM 723 N ILE A 44 2.875 -2.473 -18.231 1.00 0.00 N ATOM 724 CA ILE A 44 2.714 -1.407 -17.265 1.00 0.00 C ATOM 725 C ILE A 44 3.287 -1.949 -15.953 1.00 0.00 C ATOM 726 O ILE A 44 3.107 -3.127 -15.631 1.00 0.00 O ATOM 727 CB ILE A 44 1.219 -1.022 -17.117 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.363 -1.199 -18.403 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.130 0.421 -16.585 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.127 -0.887 -18.228 1.00 0.00 C ATOM 0 H ILE A 44 2.579 -3.380 -17.871 1.00 0.00 H new ATOM 0 HA ILE A 44 3.230 -0.498 -17.573 1.00 0.00 H new ATOM 0 HB ILE A 44 0.783 -1.727 -16.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.766 -0.554 -19.183 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.467 -2.226 -18.754 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.083 0.705 -16.476 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.625 0.483 -15.616 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.618 1.098 -17.286 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.644 -1.038 -19.176 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.551 -1.550 -17.474 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.247 0.149 -17.910 1.00 0.00 H new ATOM 742 N LEU A 45 3.946 -1.096 -15.179 1.00 0.00 N ATOM 743 CA LEU A 45 4.521 -1.412 -13.877 1.00 0.00 C ATOM 744 C LEU A 45 4.274 -0.179 -13.014 1.00 0.00 C ATOM 745 O LEU A 45 4.469 0.925 -13.524 1.00 0.00 O ATOM 746 CB LEU A 45 6.032 -1.650 -14.052 1.00 0.00 C ATOM 747 CG LEU A 45 6.735 -2.030 -12.735 1.00 0.00 C ATOM 748 CD1 LEU A 45 6.660 -3.537 -12.477 1.00 0.00 C ATOM 749 CD2 LEU A 45 8.203 -1.593 -12.750 1.00 0.00 C ATOM 0 H LEU A 45 4.101 -0.126 -15.452 1.00 0.00 H new ATOM 0 HA LEU A 45 4.086 -2.304 -13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.188 -2.443 -14.783 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.492 -0.749 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 45 6.213 -1.509 -11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.165 -3.771 -11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.616 -3.844 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.145 -4.071 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.676 -1.873 -11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.720 -2.082 -13.575 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.260 -0.512 -12.877 1.00 0.00 H new ATOM 761 N ALA A 46 3.837 -0.327 -11.761 1.00 0.00 N ATOM 762 CA ALA A 46 3.759 0.789 -10.828 1.00 0.00 C ATOM 763 C ALA A 46 3.728 0.304 -9.386 1.00 0.00 C ATOM 764 O ALA A 46 3.282 -0.812 -9.111 1.00 0.00 O ATOM 765 CB ALA A 46 2.491 1.609 -11.080 1.00 0.00 C ATOM 0 H ALA A 46 3.530 -1.218 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 46 4.646 1.402 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.448 2.439 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.506 1.999 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.615 0.974 -10.947 1.00 0.00 H new ATOM 771 N GLU A 47 4.064 1.208 -8.466 1.00 0.00 N ATOM 772 CA GLU A 47 3.881 1.048 -7.033 1.00 0.00 C ATOM 773 C GLU A 47 2.832 2.048 -6.539 1.00 0.00 C ATOM 774 O GLU A 47 2.658 3.124 -7.124 1.00 0.00 O ATOM 775 CB GLU A 47 5.218 1.160 -6.280 1.00 0.00 C ATOM 776 CG GLU A 47 5.947 2.507 -6.417 1.00 0.00 C ATOM 777 CD GLU A 47 7.139 2.601 -5.446 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.076 1.778 -5.554 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.141 3.506 -4.581 1.00 0.00 O ATOM 0 H GLU A 47 4.486 2.103 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 47 3.509 0.045 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.035 0.972 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.881 0.371 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.299 2.629 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.250 3.322 -6.220 1.00 0.00 H new ATOM 786 N GLY A 48 2.131 1.693 -5.461 1.00 0.00 N ATOM 787 CA GLY A 48 1.139 2.540 -4.816 1.00 0.00 C ATOM 788 C GLY A 48 0.362 1.775 -3.743 1.00 0.00 C ATOM 789 O GLY A 48 0.631 0.593 -3.516 1.00 0.00 O ATOM 0 H GLY A 48 2.243 0.787 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.632 3.401 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.446 2.925 -5.564 1.00 0.00 H new ATOM 793 N PRO A 49 -0.584 2.428 -3.052 1.00 0.00 N ATOM 794 CA PRO A 49 -1.480 1.755 -2.123 1.00 0.00 C ATOM 795 C PRO A 49 -2.485 0.874 -2.877 1.00 0.00 C ATOM 796 O PRO A 49 -2.745 1.081 -4.066 1.00 0.00 O ATOM 797 CB PRO A 49 -2.146 2.876 -1.319 1.00 0.00 C ATOM 798 CG PRO A 49 -2.118 4.074 -2.268 1.00 0.00 C ATOM 799 CD PRO A 49 -0.857 3.854 -3.107 1.00 0.00 C ATOM 0 HA PRO A 49 -0.957 1.071 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.166 2.614 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.603 3.084 -0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.011 4.110 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.074 5.016 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.010 4.183 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.019 4.427 -2.710 1.00 0.00 H new ATOM 807 N GLU A 50 -3.075 -0.095 -2.169 1.00 0.00 N ATOM 808 CA GLU A 50 -3.930 -1.127 -2.757 1.00 0.00 C ATOM 809 C GLU A 50 -5.064 -0.504 -3.567 1.00 0.00 C ATOM 810 O GLU A 50 -5.218 -0.814 -4.746 1.00 0.00 O ATOM 811 CB GLU A 50 -4.489 -2.029 -1.641 1.00 0.00 C ATOM 812 CG GLU A 50 -5.246 -3.246 -2.196 1.00 0.00 C ATOM 813 CD GLU A 50 -5.797 -4.130 -1.062 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.894 -3.837 -0.533 1.00 0.00 O ATOM 815 OE2 GLU A 50 -5.153 -5.140 -0.698 1.00 0.00 O ATOM 0 H GLU A 50 -2.970 -0.184 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.332 -1.731 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.669 -2.371 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.158 -1.446 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.067 -2.908 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.580 -3.834 -2.827 1.00 0.00 H new ATOM 822 N ASN A 51 -5.838 0.400 -2.960 1.00 0.00 N ATOM 823 CA ASN A 51 -7.028 0.952 -3.605 1.00 0.00 C ATOM 824 C ASN A 51 -6.663 1.733 -4.867 1.00 0.00 C ATOM 825 O ASN A 51 -7.390 1.675 -5.856 1.00 0.00 O ATOM 826 CB ASN A 51 -7.795 1.846 -2.618 1.00 0.00 C ATOM 827 CG ASN A 51 -9.116 2.352 -3.199 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.840 1.625 -3.873 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.478 3.597 -2.928 1.00 0.00 N ATOM 0 H ASN A 51 -5.660 0.764 -2.024 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.670 0.123 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.993 1.287 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.172 2.697 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.364 3.958 -3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.870 4.194 -2.367 1.00 0.00 H new ATOM 836 N ALA A 52 -5.522 2.430 -4.861 1.00 0.00 N ATOM 837 CA ALA A 52 -5.030 3.147 -6.029 1.00 0.00 C ATOM 838 C ALA A 52 -4.692 2.173 -7.154 1.00 0.00 C ATOM 839 O ALA A 52 -5.141 2.360 -8.287 1.00 0.00 O ATOM 840 CB ALA A 52 -3.806 3.987 -5.636 1.00 0.00 C ATOM 0 H ALA A 52 -4.918 2.509 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.809 3.815 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.437 4.524 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.088 4.702 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.022 3.332 -5.255 1.00 0.00 H new ATOM 846 N LEU A 53 -3.929 1.125 -6.833 1.00 0.00 N ATOM 847 CA LEU A 53 -3.498 0.126 -7.804 1.00 0.00 C ATOM 848 C LEU A 53 -4.707 -0.580 -8.406 1.00 0.00 C ATOM 849 O LEU A 53 -4.822 -0.674 -9.625 1.00 0.00 O ATOM 850 CB LEU A 53 -2.551 -0.881 -7.131 1.00 0.00 C ATOM 851 CG LEU A 53 -1.173 -0.302 -6.764 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.472 -1.287 -5.837 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.255 -0.057 -7.966 1.00 0.00 C ATOM 0 H LEU A 53 -3.593 0.948 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.959 0.620 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.026 -1.261 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.410 -1.732 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.357 0.666 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.508 -0.896 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.070 -1.428 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.352 -2.243 -6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.695 0.351 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.078 -0.998 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.728 0.651 -8.647 1.00 0.00 H new ATOM 865 N GLN A 54 -5.631 -1.047 -7.567 1.00 0.00 N ATOM 866 CA GLN A 54 -6.799 -1.788 -8.020 1.00 0.00 C ATOM 867 C GLN A 54 -7.730 -0.899 -8.848 1.00 0.00 C ATOM 868 O GLN A 54 -8.220 -1.339 -9.887 1.00 0.00 O ATOM 869 CB GLN A 54 -7.548 -2.422 -6.834 1.00 0.00 C ATOM 870 CG GLN A 54 -6.743 -3.470 -6.038 1.00 0.00 C ATOM 871 CD GLN A 54 -6.236 -4.675 -6.841 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.823 -5.096 -7.835 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.130 -5.259 -6.407 1.00 0.00 N ATOM 0 H GLN A 54 -5.588 -0.920 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.451 -2.596 -8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.856 -1.629 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.458 -2.892 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.885 -2.973 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.367 -3.837 -5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.653 -4.898 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.754 -6.070 -6.899 1.00 0.00 H new ATOM 882 N SER A 55 -7.943 0.355 -8.445 1.00 0.00 N ATOM 883 CA SER A 55 -8.781 1.282 -9.205 1.00 0.00 C ATOM 884 C SER A 55 -8.177 1.543 -10.588 1.00 0.00 C ATOM 885 O SER A 55 -8.906 1.565 -11.582 1.00 0.00 O ATOM 886 CB SER A 55 -8.969 2.599 -8.447 1.00 0.00 C ATOM 887 OG SER A 55 -9.576 2.374 -7.192 1.00 0.00 O ATOM 0 H SER A 55 -7.545 0.752 -7.594 1.00 0.00 H new ATOM 0 HA SER A 55 -9.761 0.822 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.003 3.084 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.584 3.278 -9.037 1.00 0.00 H new ATOM 0 HG SER A 55 -8.893 2.110 -6.541 1.00 0.00 H new ATOM 893 N PHE A 56 -6.851 1.688 -10.676 1.00 0.00 N ATOM 894 CA PHE A 56 -6.173 1.778 -11.955 1.00 0.00 C ATOM 895 C PHE A 56 -6.408 0.507 -12.781 1.00 0.00 C ATOM 896 O PHE A 56 -6.771 0.620 -13.949 1.00 0.00 O ATOM 897 CB PHE A 56 -4.679 2.060 -11.749 1.00 0.00 C ATOM 898 CG PHE A 56 -3.913 1.946 -13.045 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.424 0.688 -13.450 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.820 3.051 -13.911 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.852 0.533 -14.720 1.00 0.00 C ATOM 902 CE2 PHE A 56 -3.284 2.875 -15.196 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.796 1.624 -15.598 1.00 0.00 C ATOM 0 H PHE A 56 -6.231 1.745 -9.868 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.590 2.612 -12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.550 3.060 -11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.272 1.358 -11.021 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.490 -0.157 -12.781 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.158 4.025 -13.590 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.455 -0.425 -15.021 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.247 3.710 -15.880 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.376 1.501 -16.585 1.00 0.00 H new ATOM 913 N VAL A 57 -6.247 -0.693 -12.211 1.00 0.00 N ATOM 914 CA VAL A 57 -6.459 -1.937 -12.953 1.00 0.00 C ATOM 915 C VAL A 57 -7.887 -1.967 -13.516 1.00 0.00 C ATOM 916 O VAL A 57 -8.065 -2.313 -14.685 1.00 0.00 O ATOM 917 CB VAL A 57 -6.131 -3.161 -12.065 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.535 -4.496 -12.711 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.626 -3.249 -11.766 1.00 0.00 C ATOM 0 H VAL A 57 -5.971 -0.827 -11.238 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.777 -1.984 -13.802 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.707 -3.007 -11.152 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.280 -5.317 -12.041 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.609 -4.500 -12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.003 -4.619 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.430 -4.120 -11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.074 -3.342 -12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.305 -2.347 -11.244 1.00 0.00 H new ATOM 929 N GLU A 58 -8.892 -1.546 -12.741 1.00 0.00 N ATOM 930 CA GLU A 58 -10.269 -1.473 -13.215 1.00 0.00 C ATOM 931 C GLU A 58 -10.395 -0.474 -14.367 1.00 0.00 C ATOM 932 O GLU A 58 -11.075 -0.760 -15.351 1.00 0.00 O ATOM 933 CB GLU A 58 -11.219 -1.099 -12.066 1.00 0.00 C ATOM 934 CG GLU A 58 -11.378 -2.206 -11.014 1.00 0.00 C ATOM 935 CD GLU A 58 -12.154 -3.422 -11.551 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.406 -3.401 -11.541 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.523 -4.420 -11.968 1.00 0.00 O ATOM 0 H GLU A 58 -8.770 -1.249 -11.773 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.553 -2.457 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.849 -0.197 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.199 -0.859 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.392 -2.528 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.896 -1.804 -10.143 1.00 0.00 H new ATOM 944 N ALA A 59 -9.714 0.670 -14.277 1.00 0.00 N ATOM 945 CA ALA A 59 -9.705 1.693 -15.317 1.00 0.00 C ATOM 946 C ALA A 59 -9.145 1.148 -16.639 1.00 0.00 C ATOM 947 O ALA A 59 -9.706 1.440 -17.696 1.00 0.00 O ATOM 948 CB ALA A 59 -8.921 2.920 -14.833 1.00 0.00 C ATOM 0 H ALA A 59 -9.145 0.913 -13.466 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.733 1.996 -15.515 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.918 3.681 -15.614 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.392 3.322 -13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.895 2.630 -14.605 1.00 0.00 H new ATOM 954 N VAL A 60 -8.083 0.334 -16.601 1.00 0.00 N ATOM 955 CA VAL A 60 -7.576 -0.335 -17.801 1.00 0.00 C ATOM 956 C VAL A 60 -8.628 -1.346 -18.281 1.00 0.00 C ATOM 957 O VAL A 60 -9.077 -1.284 -19.427 1.00 0.00 O ATOM 958 CB VAL A 60 -6.219 -1.031 -17.534 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.626 -1.583 -18.837 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.174 -0.080 -16.938 1.00 0.00 C ATOM 0 H VAL A 60 -7.559 0.124 -15.751 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.399 0.409 -18.578 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.434 -1.829 -16.823 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.673 -2.068 -18.626 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.314 -2.308 -19.271 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.469 -0.765 -19.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.243 -0.621 -16.771 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.996 0.744 -17.629 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.539 0.314 -15.990 1.00 0.00 H new ATOM 970 N LYS A 61 -9.037 -2.270 -17.402 1.00 0.00 N ATOM 971 CA LYS A 61 -9.863 -3.425 -17.755 1.00 0.00 C ATOM 972 C LYS A 61 -11.213 -3.006 -18.340 1.00 0.00 C ATOM 973 O LYS A 61 -11.711 -3.667 -19.250 1.00 0.00 O ATOM 974 CB LYS A 61 -10.026 -4.307 -16.505 1.00 0.00 C ATOM 975 CG LYS A 61 -10.709 -5.649 -16.808 1.00 0.00 C ATOM 976 CD LYS A 61 -10.727 -6.550 -15.566 1.00 0.00 C ATOM 977 CE LYS A 61 -11.419 -7.881 -15.890 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.479 -8.784 -14.714 1.00 0.00 N ATOM 0 H LYS A 61 -8.798 -2.233 -16.411 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.368 -3.997 -18.539 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.045 -4.494 -16.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.610 -3.768 -15.759 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.729 -5.473 -17.149 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.184 -6.153 -17.620 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.708 -6.734 -15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.249 -6.049 -14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.430 -7.685 -16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.885 -8.378 -16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.954 -9.670 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.514 -8.994 -14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.011 -8.322 -13.949 1.00 0.00 H new ATOM 992 N ASN A 62 -11.791 -1.905 -17.849 1.00 0.00 N ATOM 993 CA ASN A 62 -13.066 -1.381 -18.330 1.00 0.00 C ATOM 994 C ASN A 62 -13.004 -0.951 -19.800 1.00 0.00 C ATOM 995 O ASN A 62 -14.040 -0.937 -20.465 1.00 0.00 O ATOM 996 CB ASN A 62 -13.503 -0.191 -17.462 1.00 0.00 C ATOM 997 CG ASN A 62 -14.867 0.343 -17.898 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.874 -0.357 -17.816 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.939 1.579 -18.360 1.00 0.00 N ATOM 0 H ASN A 62 -11.380 -1.349 -17.099 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.795 -2.188 -18.255 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.547 -0.497 -16.417 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.760 0.604 -17.530 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.838 1.962 -18.653 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.096 2.150 -18.423 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.820 -0.599 -20.321 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.693 -0.041 -21.662 1.00 0.00 C ATOM 1008 C GLY A 63 -12.470 1.274 -21.775 1.00 0.00 C ATOM 1009 O GLY A 63 -13.219 1.470 -22.733 1.00 0.00 O ATOM 0 H GLY A 63 -10.934 -0.694 -19.824 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.642 0.131 -21.892 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.067 -0.755 -22.396 1.00 0.00 H new ATOM 1013 N SER A 64 -12.344 2.140 -20.764 1.00 0.00 N ATOM 1014 CA SER A 64 -12.974 3.454 -20.713 1.00 0.00 C ATOM 1015 C SER A 64 -12.693 4.356 -21.940 1.00 0.00 C ATOM 1016 O SER A 64 -13.645 4.989 -22.406 1.00 0.00 O ATOM 1017 CB SER A 64 -12.558 4.157 -19.413 1.00 0.00 C ATOM 1018 OG SER A 64 -12.622 3.256 -18.316 1.00 0.00 O ATOM 0 H SER A 64 -11.783 1.935 -19.937 1.00 0.00 H new ATOM 0 HA SER A 64 -14.050 3.285 -20.737 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.545 4.547 -19.512 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.211 5.010 -19.229 1.00 0.00 H new ATOM 0 HG SER A 64 -12.352 3.720 -17.496 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.452 4.469 -22.470 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.166 5.324 -23.624 1.00 0.00 C ATOM 1026 C PRO A 65 -11.635 4.665 -24.938 1.00 0.00 C ATOM 1027 O PRO A 65 -12.333 3.649 -24.933 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.649 5.565 -23.567 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.118 4.272 -22.967 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.213 3.863 -21.985 1.00 0.00 C ATOM 0 HA PRO A 65 -11.706 6.270 -23.595 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.233 5.751 -24.557 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.401 6.428 -22.949 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.958 3.511 -23.730 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.163 4.425 -22.464 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.305 2.778 -21.936 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.980 4.209 -20.978 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.262 5.248 -26.086 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.440 4.602 -27.386 1.00 0.00 C ATOM 1040 C PHE A 66 -10.660 3.281 -27.426 1.00 0.00 C ATOM 1041 O PHE A 66 -11.161 2.268 -27.919 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.963 5.547 -28.501 1.00 0.00 C ATOM 1043 CG PHE A 66 -11.105 4.968 -29.898 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -10.090 4.150 -30.434 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -12.264 5.229 -30.655 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -10.239 3.593 -31.717 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -12.406 4.677 -31.941 1.00 0.00 C ATOM 1048 CZ PHE A 66 -11.395 3.858 -32.472 1.00 0.00 C ATOM 0 H PHE A 66 -10.833 6.172 -26.136 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.496 4.382 -27.541 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.530 6.476 -28.444 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.917 5.800 -28.327 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.198 3.951 -29.859 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.045 5.854 -30.247 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.464 2.960 -32.123 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.293 4.883 -32.521 1.00 0.00 H new ATOM 0 HZ PHE A 66 -11.506 3.433 -33.459 1.00 0.00 H new ATOM 1058 N SER A 67 -9.429 3.297 -26.909 1.00 0.00 N ATOM 1059 CA SER A 67 -8.580 2.132 -26.730 1.00 0.00 C ATOM 1060 C SER A 67 -9.239 1.124 -25.783 1.00 0.00 C ATOM 1061 O SER A 67 -10.010 1.493 -24.893 1.00 0.00 O ATOM 1062 CB SER A 67 -7.204 2.593 -26.220 1.00 0.00 C ATOM 1063 OG SER A 67 -7.219 3.926 -25.711 1.00 0.00 O ATOM 0 H SER A 67 -8.985 4.159 -26.593 1.00 0.00 H new ATOM 0 HA SER A 67 -8.442 1.621 -27.683 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.866 1.914 -25.437 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.480 2.528 -27.033 1.00 0.00 H new ATOM 0 HG SER A 67 -6.322 4.167 -25.399 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.941 -0.164 -25.963 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.504 -1.232 -25.141 1.00 0.00 C ATOM 1071 C LYS A 68 -8.604 -2.453 -25.194 1.00 0.00 C ATOM 1072 O LYS A 68 -7.858 -2.638 -26.158 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.963 -1.558 -25.541 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.322 -1.586 -27.039 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.554 -2.620 -27.878 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.108 -2.748 -29.308 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.461 -3.364 -29.359 1.00 0.00 N ATOM 0 H LYS A 68 -8.301 -0.495 -26.685 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.547 -0.889 -24.107 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.213 -2.532 -25.121 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.611 -0.827 -25.058 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.389 -1.784 -27.137 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.142 -0.596 -27.458 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.502 -2.337 -27.923 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.602 -3.591 -27.385 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.149 -1.759 -29.765 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.420 -3.347 -29.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.722 -3.547 -30.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.455 -4.260 -28.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.154 -2.716 -28.933 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.704 -3.305 -24.182 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.028 -4.591 -24.169 1.00 0.00 C ATOM 1093 C VAL A 69 -8.936 -5.641 -24.814 1.00 0.00 C ATOM 1094 O VAL A 69 -10.164 -5.529 -24.775 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.618 -4.962 -22.727 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.562 -3.971 -22.219 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.781 -5.001 -21.722 1.00 0.00 C ATOM 0 H VAL A 69 -9.258 -3.121 -23.346 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.109 -4.543 -24.753 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.224 -5.977 -22.787 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.275 -4.235 -21.201 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.685 -4.010 -22.865 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.975 -2.962 -22.229 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.401 -5.270 -20.736 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.253 -4.020 -21.674 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.514 -5.741 -22.042 1.00 0.00 H new ATOM 1107 N THR A 70 -8.325 -6.691 -25.348 1.00 0.00 N ATOM 1108 CA THR A 70 -8.962 -7.960 -25.678 1.00 0.00 C ATOM 1109 C THR A 70 -8.282 -9.098 -24.893 1.00 0.00 C ATOM 1110 O THR A 70 -8.840 -10.192 -24.795 1.00 0.00 O ATOM 1111 CB THR A 70 -8.947 -8.180 -27.204 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.642 -8.034 -27.734 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.846 -7.167 -27.927 1.00 0.00 C ATOM 0 H THR A 70 -7.330 -6.681 -25.572 1.00 0.00 H new ATOM 0 HA THR A 70 -10.010 -7.947 -25.378 1.00 0.00 H new ATOM 0 HB THR A 70 -9.312 -9.194 -27.366 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.664 -8.181 -28.703 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.811 -7.351 -29.001 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.872 -7.273 -27.573 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.494 -6.156 -27.721 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.121 -8.838 -24.274 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.469 -9.713 -23.309 1.00 0.00 C ATOM 1123 C ASP A 71 -5.737 -8.835 -22.295 1.00 0.00 C ATOM 1124 O ASP A 71 -5.164 -7.805 -22.659 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.473 -10.645 -24.011 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.705 -11.496 -22.988 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.344 -12.307 -22.281 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.465 -11.370 -22.897 1.00 0.00 O ATOM 0 H ASP A 71 -6.597 -7.979 -24.443 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.213 -10.334 -22.810 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.005 -11.296 -24.705 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.771 -10.056 -24.601 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.770 -9.232 -21.025 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.154 -8.523 -19.915 1.00 0.00 C ATOM 1135 C ILE A 72 -4.684 -9.582 -18.915 1.00 0.00 C ATOM 1136 O ILE A 72 -5.412 -10.537 -18.629 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.141 -7.479 -19.320 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.527 -6.774 -18.087 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.537 -8.049 -18.986 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.212 -5.448 -17.721 1.00 0.00 C ATOM 0 H ILE A 72 -6.244 -10.087 -20.734 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.289 -7.938 -20.229 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.301 -6.746 -20.110 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.581 -7.447 -17.232 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.471 -6.585 -18.278 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.165 -7.258 -18.576 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.996 -8.443 -19.893 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.437 -8.849 -18.253 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.725 -5.016 -16.847 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.135 -4.755 -18.559 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.263 -5.631 -17.497 1.00 0.00 H new ATOM 1152 N SER A 73 -3.474 -9.406 -18.390 1.00 0.00 N ATOM 1153 CA SER A 73 -2.877 -10.245 -17.364 1.00 0.00 C ATOM 1154 C SER A 73 -2.249 -9.313 -16.331 1.00 0.00 C ATOM 1155 O SER A 73 -1.681 -8.281 -16.696 1.00 0.00 O ATOM 1156 CB SER A 73 -1.820 -11.168 -17.990 1.00 0.00 C ATOM 1157 OG SER A 73 -2.381 -12.008 -18.988 1.00 0.00 O ATOM 0 H SER A 73 -2.862 -8.644 -18.682 1.00 0.00 H new ATOM 0 HA SER A 73 -3.624 -10.882 -16.890 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.024 -10.565 -18.427 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.365 -11.781 -17.212 1.00 0.00 H new ATOM 0 HG SER A 73 -1.681 -12.580 -19.366 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.367 -9.663 -15.050 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.994 -8.812 -13.927 1.00 0.00 C ATOM 1165 C VAL A 74 -1.267 -9.693 -12.909 1.00 0.00 C ATOM 1166 O VAL A 74 -1.666 -10.835 -12.661 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.261 -8.156 -13.317 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.925 -7.212 -12.150 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.081 -7.374 -14.358 1.00 0.00 C ATOM 0 H VAL A 74 -2.734 -10.570 -14.761 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.337 -8.002 -14.244 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.859 -8.989 -12.947 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.844 -6.778 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.423 -7.773 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.270 -6.416 -12.503 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.956 -6.936 -13.878 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.466 -6.581 -14.785 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.403 -8.050 -15.150 1.00 0.00 H new ATOM 1179 N THR A 75 -0.228 -9.136 -12.299 1.00 0.00 N ATOM 1180 CA THR A 75 0.463 -9.663 -11.134 1.00 0.00 C ATOM 1181 C THR A 75 0.537 -8.495 -10.144 1.00 0.00 C ATOM 1182 O THR A 75 0.628 -7.338 -10.562 1.00 0.00 O ATOM 1183 CB THR A 75 1.858 -10.172 -11.556 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.764 -11.051 -12.666 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.581 -10.923 -10.432 1.00 0.00 C ATOM 0 H THR A 75 0.175 -8.257 -12.623 1.00 0.00 H new ATOM 0 HA THR A 75 -0.046 -10.511 -10.676 1.00 0.00 H new ATOM 0 HB THR A 75 2.428 -9.279 -11.813 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.660 -11.359 -12.916 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.556 -11.257 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.713 -10.259 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.988 -11.787 -10.132 1.00 0.00 H new ATOM 1193 N GLU A 76 0.501 -8.775 -8.842 1.00 0.00 N ATOM 1194 CA GLU A 76 0.623 -7.769 -7.798 1.00 0.00 C ATOM 1195 C GLU A 76 1.601 -8.275 -6.738 1.00 0.00 C ATOM 1196 O GLU A 76 1.709 -9.485 -6.505 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.758 -7.372 -7.251 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.590 -8.534 -6.685 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.973 -8.057 -6.208 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.816 -7.667 -7.050 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.238 -8.090 -4.985 1.00 0.00 O ATOM 0 H GLU A 76 0.384 -9.722 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 76 1.037 -6.844 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.621 -6.627 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.325 -6.894 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.712 -9.301 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.056 -8.994 -5.854 1.00 0.00 H new ATOM 1208 N SER A 77 2.362 -7.345 -6.161 1.00 0.00 N ATOM 1209 CA SER A 77 3.698 -7.618 -5.646 1.00 0.00 C ATOM 1210 C SER A 77 4.049 -6.679 -4.493 1.00 0.00 C ATOM 1211 O SER A 77 3.383 -5.665 -4.277 1.00 0.00 O ATOM 1212 CB SER A 77 4.716 -7.396 -6.776 1.00 0.00 C ATOM 1213 OG SER A 77 4.374 -8.092 -7.967 1.00 0.00 O ATOM 0 H SER A 77 2.065 -6.377 -6.039 1.00 0.00 H new ATOM 0 HA SER A 77 3.725 -8.646 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.787 -6.330 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.701 -7.720 -6.441 1.00 0.00 H new ATOM 0 HG SER A 77 5.051 -7.917 -8.654 1.00 0.00 H new ATOM 1219 N ARG A 78 5.140 -6.987 -3.785 1.00 0.00 N ATOM 1220 CA ARG A 78 5.614 -6.231 -2.622 1.00 0.00 C ATOM 1221 C ARG A 78 7.075 -5.792 -2.785 1.00 0.00 C ATOM 1222 O ARG A 78 7.623 -5.176 -1.872 1.00 0.00 O ATOM 1223 CB ARG A 78 5.442 -7.104 -1.363 1.00 0.00 C ATOM 1224 CG ARG A 78 3.988 -7.485 -1.033 1.00 0.00 C ATOM 1225 CD ARG A 78 3.169 -6.296 -0.531 1.00 0.00 C ATOM 1226 NE ARG A 78 1.876 -6.764 0.003 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.119 -6.135 0.912 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.423 -4.903 1.306 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.054 -6.747 1.419 1.00 0.00 N ATOM 0 H ARG A 78 5.731 -7.787 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 78 5.022 -5.321 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.022 -8.018 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.866 -6.574 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.514 -7.899 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.985 -8.269 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.721 -5.765 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.002 -5.590 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 78 1.524 -7.652 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.238 -4.429 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.842 -4.431 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.184 -7.691 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.525 -6.272 2.111 1.00 0.00 H new ATOM 1243 N SER A 79 7.716 -6.101 -3.916 1.00 0.00 N ATOM 1244 CA SER A 79 9.112 -5.766 -4.175 1.00 0.00 C ATOM 1245 C SER A 79 9.329 -4.247 -4.233 1.00 0.00 C ATOM 1246 O SER A 79 10.385 -3.766 -3.814 1.00 0.00 O ATOM 1247 CB SER A 79 9.549 -6.428 -5.490 1.00 0.00 C ATOM 1248 OG SER A 79 9.098 -7.777 -5.551 1.00 0.00 O ATOM 0 H SER A 79 7.269 -6.598 -4.686 1.00 0.00 H new ATOM 0 HA SER A 79 9.721 -6.143 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.149 -5.868 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.635 -6.399 -5.574 1.00 0.00 H new ATOM 0 HG SER A 79 9.385 -8.180 -6.397 1.00 0.00 H new ATOM 1254 N LEU A 80 8.315 -3.502 -4.702 1.00 0.00 N ATOM 1255 CA LEU A 80 8.365 -2.070 -5.008 1.00 0.00 C ATOM 1256 C LEU A 80 9.433 -1.777 -6.075 1.00 0.00 C ATOM 1257 O LEU A 80 10.016 -2.701 -6.653 1.00 0.00 O ATOM 1258 CB LEU A 80 8.502 -1.211 -3.729 1.00 0.00 C ATOM 1259 CG LEU A 80 7.480 -1.500 -2.610 1.00 0.00 C ATOM 1260 CD1 LEU A 80 7.654 -0.478 -1.480 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.023 -1.466 -3.092 1.00 0.00 C ATOM 0 H LEU A 80 7.396 -3.905 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 80 7.410 -1.775 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.504 -1.353 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.418 -0.161 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 80 7.680 -2.513 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.932 -0.683 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.664 -0.550 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.490 0.527 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.358 -1.678 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.796 -0.479 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.879 -2.217 -3.869 1.00 0.00 H new ATOM 1273 N GLU A 81 9.636 -0.504 -6.419 1.00 0.00 N ATOM 1274 CA GLU A 81 10.500 -0.102 -7.534 1.00 0.00 C ATOM 1275 C GLU A 81 11.172 1.265 -7.319 1.00 0.00 C ATOM 1276 O GLU A 81 12.130 1.586 -8.025 1.00 0.00 O ATOM 1277 CB GLU A 81 9.699 -0.153 -8.850 1.00 0.00 C ATOM 1278 CG GLU A 81 8.475 0.776 -8.877 1.00 0.00 C ATOM 1279 CD GLU A 81 7.414 0.297 -9.871 1.00 0.00 C ATOM 1280 OE1 GLU A 81 6.747 -0.716 -9.560 1.00 0.00 O ATOM 1281 OE2 GLU A 81 7.251 0.939 -10.928 1.00 0.00 O ATOM 0 H GLU A 81 9.205 0.281 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 81 11.323 -0.814 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.360 0.111 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.368 -1.177 -9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.039 0.830 -7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.791 1.785 -9.142 1.00 0.00 H new ATOM 1288 N GLY A 82 10.727 2.056 -6.338 1.00 0.00 N ATOM 1289 CA GLY A 82 11.360 3.310 -5.949 1.00 0.00 C ATOM 1290 C GLY A 82 11.119 4.439 -6.953 1.00 0.00 C ATOM 1291 O GLY A 82 11.856 5.427 -6.940 1.00 0.00 O ATOM 0 H GLY A 82 9.900 1.834 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.983 3.613 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.433 3.151 -5.841 1.00 0.00 H new ATOM 1295 N HIS A 83 10.123 4.300 -7.837 1.00 0.00 N ATOM 1296 CA HIS A 83 9.739 5.358 -8.765 1.00 0.00 C ATOM 1297 C HIS A 83 9.221 6.578 -8.000 1.00 0.00 C ATOM 1298 O HIS A 83 8.651 6.455 -6.913 1.00 0.00 O ATOM 1299 CB HIS A 83 8.679 4.851 -9.757 1.00 0.00 C ATOM 1300 CG HIS A 83 9.268 4.436 -11.079 1.00 0.00 C ATOM 1301 ND1 HIS A 83 9.066 5.075 -12.282 1.00 0.00 N ATOM 1302 CD2 HIS A 83 10.137 3.402 -11.308 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.791 4.433 -13.215 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.470 3.407 -12.669 1.00 0.00 N ATOM 0 H HIS A 83 9.565 3.451 -7.925 1.00 0.00 H new ATOM 0 HA HIS A 83 10.621 5.655 -9.332 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.152 4.004 -9.317 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.940 5.635 -9.924 1.00 0.00 H new ATOM 0 HD1 HIS A 83 8.472 5.890 -12.438 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.502 2.705 -10.568 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.824 4.704 -14.260 1.00 0.00 H new ATOM 1312 N HIS A 84 9.372 7.758 -8.608 1.00 0.00 N ATOM 1313 CA HIS A 84 8.834 9.030 -8.116 1.00 0.00 C ATOM 1314 C HIS A 84 8.010 9.738 -9.209 1.00 0.00 C ATOM 1315 O HIS A 84 7.532 10.855 -8.997 1.00 0.00 O ATOM 1316 CB HIS A 84 9.978 9.921 -7.593 1.00 0.00 C ATOM 1317 CG HIS A 84 10.717 9.407 -6.376 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.394 8.320 -5.592 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.834 9.975 -5.821 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.300 8.226 -4.605 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.202 9.221 -4.698 1.00 0.00 N ATOM 0 H HIS A 84 9.887 7.858 -9.482 1.00 0.00 H new ATOM 0 HA HIS A 84 8.158 8.830 -7.285 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.699 10.062 -8.398 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.568 10.903 -7.356 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.602 7.694 -5.737 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.344 10.854 -6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.304 7.460 -3.844 1.00 0.00 H new ATOM 1329 N ARG A 85 7.813 9.097 -10.371 1.00 0.00 N ATOM 1330 CA ARG A 85 6.937 9.561 -11.443 1.00 0.00 C ATOM 1331 C ARG A 85 6.361 8.357 -12.177 1.00 0.00 C ATOM 1332 O ARG A 85 6.953 7.273 -12.159 1.00 0.00 O ATOM 1333 CB ARG A 85 7.699 10.467 -12.432 1.00 0.00 C ATOM 1334 CG ARG A 85 8.989 9.850 -13.018 1.00 0.00 C ATOM 1335 CD ARG A 85 9.262 10.244 -14.476 1.00 0.00 C ATOM 1336 NE ARG A 85 9.254 11.703 -14.693 1.00 0.00 N ATOM 1337 CZ ARG A 85 8.299 12.416 -15.309 1.00 0.00 C ATOM 1338 NH1 ARG A 85 7.171 11.849 -15.735 1.00 0.00 N ATOM 1339 NH2 ARG A 85 8.478 13.721 -15.493 1.00 0.00 N ATOM 0 H ARG A 85 8.276 8.215 -10.591 1.00 0.00 H new ATOM 0 HA ARG A 85 6.130 10.148 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.031 10.725 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.956 11.397 -11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.837 10.156 -12.405 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.923 8.764 -12.952 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.229 9.843 -14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.511 9.783 -15.117 1.00 0.00 H new ATOM 0 HE ARG A 85 10.057 12.223 -14.338 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.018 10.850 -15.595 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.461 12.414 -16.201 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.334 14.169 -15.167 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.759 14.274 -15.960 1.00 0.00 H new ATOM 1353 N PHE A 86 5.230 8.556 -12.846 1.00 0.00 N ATOM 1354 CA PHE A 86 4.828 7.733 -13.977 1.00 0.00 C ATOM 1355 C PHE A 86 5.757 8.080 -15.148 1.00 0.00 C ATOM 1356 O PHE A 86 6.137 9.243 -15.315 1.00 0.00 O ATOM 1357 CB PHE A 86 3.351 8.002 -14.313 1.00 0.00 C ATOM 1358 CG PHE A 86 2.968 9.471 -14.354 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.171 10.230 -15.524 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.471 10.093 -13.193 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.894 11.608 -15.525 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.222 11.476 -13.188 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.429 12.234 -14.355 1.00 0.00 C ATOM 0 H PHE A 86 4.566 9.295 -12.617 1.00 0.00 H new ATOM 0 HA PHE A 86 4.914 6.670 -13.752 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.125 7.554 -15.281 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.727 7.498 -13.575 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.539 9.753 -16.420 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.281 9.507 -12.306 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.038 12.187 -16.425 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.871 11.958 -12.287 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.231 13.296 -14.352 1.00 0.00 H new ATOM 1373 N SER A 87 6.126 7.087 -15.954 1.00 0.00 N ATOM 1374 CA SER A 87 7.182 7.210 -16.958 1.00 0.00 C ATOM 1375 C SER A 87 6.759 6.493 -18.239 1.00 0.00 C ATOM 1376 O SER A 87 6.003 5.519 -18.187 1.00 0.00 O ATOM 1377 CB SER A 87 8.485 6.607 -16.405 1.00 0.00 C ATOM 1378 OG SER A 87 8.631 6.862 -15.017 1.00 0.00 O ATOM 0 H SER A 87 5.695 6.163 -15.928 1.00 0.00 H new ATOM 0 HA SER A 87 7.351 8.262 -17.189 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.492 5.531 -16.580 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.336 7.023 -16.943 1.00 0.00 H new ATOM 0 HG SER A 87 8.033 6.272 -14.511 1.00 0.00 H new ATOM 1384 N ILE A 88 7.239 6.947 -19.394 1.00 0.00 N ATOM 1385 CA ILE A 88 6.824 6.429 -20.690 1.00 0.00 C ATOM 1386 C ILE A 88 8.111 6.087 -21.435 1.00 0.00 C ATOM 1387 O ILE A 88 8.883 6.980 -21.793 1.00 0.00 O ATOM 1388 CB ILE A 88 5.923 7.448 -21.436 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.713 7.881 -20.574 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.427 6.806 -22.740 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.742 8.862 -21.245 1.00 0.00 C ATOM 0 H ILE A 88 7.933 7.692 -19.455 1.00 0.00 H new ATOM 0 HA ILE A 88 6.204 5.537 -20.601 1.00 0.00 H new ATOM 0 HB ILE A 88 6.511 8.341 -21.648 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.158 6.989 -20.284 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.087 8.337 -19.657 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.792 7.512 -23.275 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.281 6.542 -23.364 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.855 5.907 -22.509 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.932 9.100 -20.556 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.273 9.776 -21.510 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.330 8.407 -22.146 1.00 0.00 H new ATOM 1403 N VAL A 89 8.365 4.791 -21.620 1.00 0.00 N ATOM 1404 CA VAL A 89 9.473 4.319 -22.438 1.00 0.00 C ATOM 1405 C VAL A 89 9.136 4.669 -23.893 1.00 0.00 C ATOM 1406 O VAL A 89 7.980 4.570 -24.319 1.00 0.00 O ATOM 1407 CB VAL A 89 9.690 2.807 -22.210 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.909 2.275 -22.982 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.907 2.487 -20.718 1.00 0.00 C ATOM 0 H VAL A 89 7.807 4.044 -21.206 1.00 0.00 H new ATOM 0 HA VAL A 89 10.415 4.797 -22.170 1.00 0.00 H new ATOM 0 HB VAL A 89 8.785 2.321 -22.574 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.023 1.208 -22.792 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.764 2.440 -24.050 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.806 2.800 -22.653 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.056 1.414 -20.594 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.786 3.020 -20.356 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.032 2.800 -20.148 1.00 0.00 H new