USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 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 35 ASN : amide:sc= -0.618 K(o=-0.57,f=-4.1!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -164:sc= 0.0534 (180deg=0) USER MOD Set 2.1: A 28 TYR OH : rot -64:sc= 0.914 USER MOD Set 2.2: A 65 GLN : amide:sc= 0.81 X(o=1.7,f=1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.711 (180deg=-0.0475) USER MOD Single : A 5 SER OG : rot 180:sc= -0.391 USER MOD Single : A 7 SER OG : rot 180:sc= 0.133 USER MOD Single : A 11 MET CE :methyl -108:sc= -0.651 (180deg=-1.17) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.161 F(o=-1.7,f=-0.16) USER MOD Single : A 30 SER OG : rot 180:sc= -0.307 USER MOD Single : A 32 ASN : amide:sc= -0.148 K(o=-0.15,f=-2) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0404 USER MOD Single : A 54 THR OG1 : rot 66:sc= 0.167 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -169:sc= -2.05 (180deg=-2.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 70 SER OG : rot 180:sc= 0.144 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.0969 (180deg=-0.431) USER MOD Single : A 79 HIS : no HE2:sc= -0.693 K(o=-0.69,f=-2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.819 2.912 0.119 1.00 0.00 N ATOM 2 CA MET A 1 -17.104 2.749 -1.303 1.00 0.00 C ATOM 3 C MET A 1 -15.819 2.514 -2.091 1.00 0.00 C ATOM 4 O MET A 1 -14.780 3.102 -1.792 1.00 0.00 O ATOM 5 CB MET A 1 -17.829 3.982 -1.845 1.00 0.00 C ATOM 6 CG MET A 1 -17.056 5.277 -1.650 1.00 0.00 C ATOM 7 SD MET A 1 -17.493 6.124 -0.119 1.00 0.00 S ATOM 8 CE MET A 1 -17.263 7.833 -0.600 1.00 0.00 C ATOM 0 H1 MET A 1 -17.392 2.239 0.667 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.810 2.731 0.294 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.052 3.883 0.411 1.00 0.00 H new ATOM 0 HA MET A 1 -17.747 1.877 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.023 3.841 -2.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.798 4.069 -1.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.988 5.061 -1.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.246 5.940 -2.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.495 8.483 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.228 7.989 -0.904 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.926 8.069 -1.433 1.00 0.00 H new ATOM 16 N ALA A 2 -15.898 1.650 -3.098 1.00 0.00 N ATOM 17 CA ALA A 2 -14.742 1.338 -3.929 1.00 0.00 C ATOM 18 C ALA A 2 -15.110 0.355 -5.035 1.00 0.00 C ATOM 19 O ALA A 2 -16.017 -0.462 -4.875 1.00 0.00 O ATOM 20 CB ALA A 2 -13.614 0.779 -3.077 1.00 0.00 C ATOM 0 H ALA A 2 -16.751 1.154 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.404 2.262 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.758 0.551 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.324 1.516 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.950 -0.131 -2.580 1.00 0.00 H new ATOM 26 N ARG A 3 -14.401 0.439 -6.155 1.00 0.00 N ATOM 27 CA ARG A 3 -14.654 -0.443 -7.289 1.00 0.00 C ATOM 28 C ARG A 3 -13.346 -0.905 -7.921 1.00 0.00 C ATOM 29 O ARG A 3 -12.384 -0.144 -8.011 1.00 0.00 O ATOM 30 CB ARG A 3 -15.515 0.269 -8.334 1.00 0.00 C ATOM 31 CG ARG A 3 -16.738 0.956 -7.750 1.00 0.00 C ATOM 32 CD ARG A 3 -17.759 -0.054 -7.249 1.00 0.00 C ATOM 33 NE ARG A 3 -18.608 0.501 -6.199 1.00 0.00 N ATOM 34 CZ ARG A 3 -19.769 -0.032 -5.835 1.00 0.00 C ATOM 35 NH1 ARG A 3 -20.215 -1.128 -6.432 1.00 0.00 N ATOM 36 NH2 ARG A 3 -20.487 0.532 -4.870 1.00 0.00 N ATOM 0 H ARG A 3 -13.646 1.109 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.189 -1.319 -6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.905 1.010 -8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.838 -0.456 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.434 1.606 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.196 1.592 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.381 -0.384 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.241 -0.935 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.293 1.344 -5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.666 -1.564 -7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -21.107 -1.535 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.147 1.375 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.378 0.122 -4.591 1.00 0.00 H new ATOM 47 N GLY A 4 -13.317 -2.161 -8.358 1.00 0.00 N ATOM 48 CA GLY A 4 -12.121 -2.704 -8.976 1.00 0.00 C ATOM 49 C GLY A 4 -10.916 -2.648 -8.057 1.00 0.00 C ATOM 50 O GLY A 4 -10.072 -1.762 -8.183 1.00 0.00 O ATOM 0 H GLY A 4 -14.100 -2.812 -8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.304 -3.738 -9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.904 -2.149 -9.889 1.00 0.00 H new ATOM 54 N SER A 5 -10.838 -3.597 -7.129 1.00 0.00 N ATOM 55 CA SER A 5 -9.731 -3.649 -6.181 1.00 0.00 C ATOM 56 C SER A 5 -9.527 -5.068 -5.662 1.00 0.00 C ATOM 57 O SER A 5 -10.113 -6.020 -6.176 1.00 0.00 O ATOM 58 CB SER A 5 -9.989 -2.697 -5.011 1.00 0.00 C ATOM 59 OG SER A 5 -10.646 -1.519 -5.447 1.00 0.00 O ATOM 0 H SER A 5 -11.528 -4.340 -7.014 1.00 0.00 H new ATOM 0 HA SER A 5 -8.825 -3.337 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.596 -3.198 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.044 -2.435 -4.536 1.00 0.00 H new ATOM 0 HG SER A 5 -10.801 -0.928 -4.681 1.00 0.00 H new ATOM 64 N VAL A 6 -8.691 -5.201 -4.637 1.00 0.00 N ATOM 65 CA VAL A 6 -8.409 -6.504 -4.045 1.00 0.00 C ATOM 66 C VAL A 6 -9.699 -7.240 -3.698 1.00 0.00 C ATOM 67 O VAL A 6 -10.723 -6.620 -3.418 1.00 0.00 O ATOM 68 CB VAL A 6 -7.550 -6.370 -2.774 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.107 -6.047 -3.136 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.126 -5.306 -1.852 1.00 0.00 C ATOM 0 H VAL A 6 -8.197 -4.423 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.855 -7.076 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.563 -7.323 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.515 -5.956 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.700 -6.846 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.072 -5.107 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.507 -5.225 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.144 -4.347 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.141 -5.583 -1.566 1.00 0.00 H new ATOM 80 N SER A 7 -9.638 -8.568 -3.717 1.00 0.00 N ATOM 81 CA SER A 7 -10.802 -9.390 -3.408 1.00 0.00 C ATOM 82 C SER A 7 -11.331 -9.078 -2.011 1.00 0.00 C ATOM 83 O SER A 7 -10.651 -8.445 -1.204 1.00 0.00 O ATOM 84 CB SER A 7 -10.446 -10.875 -3.510 1.00 0.00 C ATOM 85 OG SER A 7 -9.156 -11.052 -4.069 1.00 0.00 O ATOM 0 H SER A 7 -8.796 -9.097 -3.943 1.00 0.00 H new ATOM 0 HA SER A 7 -11.582 -9.160 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.483 -11.330 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.186 -11.388 -4.124 1.00 0.00 H new ATOM 0 HG SER A 7 -8.951 -12.009 -4.122 1.00 0.00 H new ATOM 90 N ASP A 8 -12.551 -9.528 -1.733 1.00 0.00 N ATOM 91 CA ASP A 8 -13.172 -9.298 -0.434 1.00 0.00 C ATOM 92 C ASP A 8 -12.257 -9.759 0.696 1.00 0.00 C ATOM 93 O ASP A 8 -12.033 -9.030 1.662 1.00 0.00 O ATOM 94 CB ASP A 8 -14.513 -10.029 -0.351 1.00 0.00 C ATOM 95 CG ASP A 8 -15.692 -9.106 -0.591 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.589 -9.052 0.276 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.717 -8.437 -1.645 1.00 0.00 O ATOM 0 H ASP A 8 -13.128 -10.053 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.342 -8.227 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.530 -10.834 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.611 -10.491 0.631 1.00 0.00 H new ATOM 101 N GLU A 9 -11.732 -10.974 0.567 1.00 0.00 N ATOM 102 CA GLU A 9 -10.843 -11.531 1.580 1.00 0.00 C ATOM 103 C GLU A 9 -9.717 -10.556 1.912 1.00 0.00 C ATOM 104 O GLU A 9 -9.578 -10.119 3.054 1.00 0.00 O ATOM 105 CB GLU A 9 -10.255 -12.860 1.098 1.00 0.00 C ATOM 106 CG GLU A 9 -11.037 -14.076 1.567 1.00 0.00 C ATOM 107 CD GLU A 9 -10.526 -14.625 2.885 1.00 0.00 C ATOM 108 OE1 GLU A 9 -9.292 -14.665 3.072 1.00 0.00 O ATOM 109 OE2 GLU A 9 -11.359 -15.013 3.730 1.00 0.00 O ATOM 0 H GLU A 9 -11.907 -11.590 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.427 -11.705 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.220 -12.859 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.227 -12.942 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.088 -13.809 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.981 -14.855 0.807 1.00 0.00 H new ATOM 114 N GLU A 10 -8.917 -10.219 0.905 1.00 0.00 N ATOM 115 CA GLU A 10 -7.803 -9.297 1.091 1.00 0.00 C ATOM 116 C GLU A 10 -8.301 -7.927 1.546 1.00 0.00 C ATOM 117 O GLU A 10 -7.909 -7.432 2.602 1.00 0.00 O ATOM 118 CB GLU A 10 -7.006 -9.157 -0.207 1.00 0.00 C ATOM 119 CG GLU A 10 -5.545 -9.556 -0.070 1.00 0.00 C ATOM 120 CD GLU A 10 -5.246 -10.898 -0.709 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.627 -11.094 -1.882 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.630 -11.752 -0.037 1.00 0.00 O ATOM 0 H GLU A 10 -9.020 -10.570 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.153 -9.704 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.471 -9.772 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.061 -8.123 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.919 -8.791 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.280 -9.593 0.987 1.00 0.00 H new ATOM 127 N MET A 11 -9.165 -7.322 0.738 1.00 0.00 N ATOM 128 CA MET A 11 -9.718 -6.009 1.057 1.00 0.00 C ATOM 129 C MET A 11 -9.971 -5.876 2.556 1.00 0.00 C ATOM 130 O MET A 11 -9.657 -4.850 3.159 1.00 0.00 O ATOM 131 CB MET A 11 -11.018 -5.778 0.285 1.00 0.00 C ATOM 132 CG MET A 11 -11.365 -4.310 0.106 1.00 0.00 C ATOM 133 SD MET A 11 -11.322 -3.792 -1.621 1.00 0.00 S ATOM 134 CE MET A 11 -10.155 -2.436 -1.540 1.00 0.00 C ATOM 0 H MET A 11 -9.498 -7.718 -0.141 1.00 0.00 H new ATOM 0 HA MET A 11 -8.990 -5.254 0.761 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.936 -6.246 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.835 -6.275 0.808 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.359 -4.123 0.513 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.666 -3.703 0.681 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.685 -1.492 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.655 -2.444 -0.571 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.414 -2.546 -2.332 1.00 0.00 H new ATOM 142 N MET A 12 -10.542 -6.919 3.149 1.00 0.00 N ATOM 143 CA MET A 12 -10.836 -6.917 4.578 1.00 0.00 C ATOM 144 C MET A 12 -9.551 -6.959 5.398 1.00 0.00 C ATOM 145 O MET A 12 -9.345 -6.134 6.289 1.00 0.00 O ATOM 146 CB MET A 12 -11.724 -8.109 4.939 1.00 0.00 C ATOM 147 CG MET A 12 -11.951 -8.268 6.434 1.00 0.00 C ATOM 148 SD MET A 12 -12.776 -6.842 7.166 1.00 0.00 S ATOM 149 CE MET A 12 -14.260 -7.606 7.816 1.00 0.00 C ATOM 0 H MET A 12 -10.810 -7.775 2.664 1.00 0.00 H new ATOM 0 HA MET A 12 -11.366 -5.994 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.688 -7.996 4.443 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.270 -9.020 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.549 -9.161 6.614 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.992 -8.422 6.929 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.876 -6.849 8.301 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.821 -8.063 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.987 -8.372 8.542 1.00 0.00 H new ATOM 157 N GLU A 13 -8.690 -7.924 5.092 1.00 0.00 N ATOM 158 CA GLU A 13 -7.425 -8.072 5.803 1.00 0.00 C ATOM 159 C GLU A 13 -6.524 -6.863 5.570 1.00 0.00 C ATOM 160 O GLU A 13 -6.153 -6.159 6.510 1.00 0.00 O ATOM 161 CB GLU A 13 -6.710 -9.349 5.356 1.00 0.00 C ATOM 162 CG GLU A 13 -7.013 -10.554 6.229 1.00 0.00 C ATOM 163 CD GLU A 13 -8.423 -11.078 6.033 1.00 0.00 C ATOM 164 OE1 GLU A 13 -9.345 -10.560 6.699 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.605 -12.003 5.215 1.00 0.00 O ATOM 0 H GLU A 13 -8.845 -8.614 4.357 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.643 -8.140 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.996 -9.574 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.634 -9.172 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.300 -11.348 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.872 -10.284 7.276 1.00 0.00 H new ATOM 170 N LEU A 14 -6.175 -6.628 4.310 1.00 0.00 N ATOM 171 CA LEU A 14 -5.318 -5.504 3.950 1.00 0.00 C ATOM 172 C LEU A 14 -5.772 -4.227 4.649 1.00 0.00 C ATOM 173 O LEU A 14 -4.970 -3.528 5.270 1.00 0.00 O ATOM 174 CB LEU A 14 -5.321 -5.299 2.434 1.00 0.00 C ATOM 175 CG LEU A 14 -5.182 -6.562 1.585 1.00 0.00 C ATOM 176 CD1 LEU A 14 -5.015 -6.203 0.117 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.009 -7.402 2.067 1.00 0.00 C ATOM 0 H LEU A 14 -6.472 -7.201 3.520 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.304 -5.734 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.250 -4.800 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.506 -4.622 2.178 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.093 -7.151 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.918 -7.115 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.887 -5.644 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.121 -5.593 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.925 -8.297 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.090 -6.821 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.170 -7.690 3.106 1.00 0.00 H new ATOM 188 N ARG A 15 -7.062 -3.929 4.546 1.00 0.00 N ATOM 189 CA ARG A 15 -7.624 -2.737 5.169 1.00 0.00 C ATOM 190 C ARG A 15 -7.374 -2.741 6.674 1.00 0.00 C ATOM 191 O ARG A 15 -6.937 -1.740 7.243 1.00 0.00 O ATOM 192 CB ARG A 15 -9.126 -2.648 4.891 1.00 0.00 C ATOM 193 CG ARG A 15 -9.843 -1.614 5.743 1.00 0.00 C ATOM 194 CD ARG A 15 -10.938 -2.249 6.585 1.00 0.00 C ATOM 195 NE ARG A 15 -12.239 -1.627 6.350 1.00 0.00 N ATOM 196 CZ ARG A 15 -12.611 -0.473 6.892 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.785 0.182 7.696 1.00 0.00 N ATOM 198 NH2 ARG A 15 -13.811 0.029 6.630 1.00 0.00 N ATOM 0 H ARG A 15 -7.739 -4.497 4.036 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.130 -1.866 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.278 -2.408 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.577 -3.625 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.125 -1.116 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.275 -0.847 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.999 -3.313 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.680 -2.162 7.640 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.898 -2.105 5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.861 -0.200 7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.073 1.068 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.449 -0.472 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.095 0.915 7.047 1.00 0.00 H new ATOM 209 N GLU A 16 -7.654 -3.873 7.312 1.00 0.00 N ATOM 210 CA GLU A 16 -7.460 -4.006 8.751 1.00 0.00 C ATOM 211 C GLU A 16 -6.062 -3.549 9.157 1.00 0.00 C ATOM 212 O GLU A 16 -5.906 -2.604 9.930 1.00 0.00 O ATOM 213 CB GLU A 16 -7.681 -5.457 9.187 1.00 0.00 C ATOM 214 CG GLU A 16 -8.967 -5.669 9.966 1.00 0.00 C ATOM 215 CD GLU A 16 -8.832 -5.296 11.429 1.00 0.00 C ATOM 216 OE1 GLU A 16 -7.846 -4.615 11.778 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.712 -5.685 12.225 1.00 0.00 O ATOM 0 H GLU A 16 -8.016 -4.710 6.856 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.191 -3.369 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.692 -6.095 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.838 -5.776 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.762 -5.075 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.267 -6.714 9.888 1.00 0.00 H new ATOM 222 N ALA A 17 -5.048 -4.227 8.629 1.00 0.00 N ATOM 223 CA ALA A 17 -3.663 -3.891 8.935 1.00 0.00 C ATOM 224 C ALA A 17 -3.382 -2.417 8.657 1.00 0.00 C ATOM 225 O ALA A 17 -2.923 -1.687 9.533 1.00 0.00 O ATOM 226 CB ALA A 17 -2.717 -4.771 8.132 1.00 0.00 C ATOM 0 H ALA A 17 -5.160 -5.012 7.987 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.497 -4.072 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.686 -4.509 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.893 -5.817 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.893 -4.618 7.067 1.00 0.00 H new ATOM 232 N PHE A 18 -3.659 -1.988 7.429 1.00 0.00 N ATOM 233 CA PHE A 18 -3.435 -0.603 7.035 1.00 0.00 C ATOM 234 C PHE A 18 -3.863 0.355 8.143 1.00 0.00 C ATOM 235 O PHE A 18 -3.077 1.185 8.599 1.00 0.00 O ATOM 236 CB PHE A 18 -4.200 -0.285 5.748 1.00 0.00 C ATOM 237 CG PHE A 18 -3.978 1.113 5.249 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.542 2.195 5.904 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.205 1.345 4.122 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.340 3.484 5.447 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.998 2.632 3.660 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.568 3.701 4.322 1.00 0.00 C ATOM 0 H PHE A 18 -4.039 -2.580 6.691 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.368 -0.472 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.901 -0.991 4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.266 -0.435 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.147 2.030 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.760 0.512 3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.784 4.319 5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.391 2.801 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.410 4.706 3.961 1.00 0.00 H new ATOM 251 N ALA A 19 -5.115 0.232 8.572 1.00 0.00 N ATOM 252 CA ALA A 19 -5.648 1.084 9.628 1.00 0.00 C ATOM 253 C ALA A 19 -4.720 1.106 10.837 1.00 0.00 C ATOM 254 O ALA A 19 -4.417 2.168 11.382 1.00 0.00 O ATOM 255 CB ALA A 19 -7.037 0.615 10.034 1.00 0.00 C ATOM 0 H ALA A 19 -5.779 -0.449 8.204 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.719 2.100 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.423 1.260 10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.702 0.659 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.983 -0.411 10.398 1.00 0.00 H new ATOM 261 N LYS A 20 -4.272 -0.074 11.254 1.00 0.00 N ATOM 262 CA LYS A 20 -3.377 -0.191 12.399 1.00 0.00 C ATOM 263 C LYS A 20 -2.126 0.658 12.202 1.00 0.00 C ATOM 264 O LYS A 20 -1.498 1.092 13.169 1.00 0.00 O ATOM 265 CB LYS A 20 -2.984 -1.654 12.617 1.00 0.00 C ATOM 266 CG LYS A 20 -4.165 -2.610 12.608 1.00 0.00 C ATOM 267 CD LYS A 20 -4.156 -3.520 13.823 1.00 0.00 C ATOM 268 CE LYS A 20 -2.818 -4.226 13.981 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.846 -5.231 15.080 1.00 0.00 N ATOM 0 H LYS A 20 -4.514 -0.963 10.816 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.906 0.173 13.280 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.280 -1.952 11.840 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.463 -1.743 13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.094 -2.041 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.139 -3.213 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.368 -2.935 14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.951 -4.260 13.730 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.555 -4.719 13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.040 -3.489 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.916 -5.690 15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.072 -4.757 15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.570 -5.949 14.876 1.00 0.00 H new ATOM 279 N VAL A 21 -1.769 0.896 10.944 1.00 0.00 N ATOM 280 CA VAL A 21 -0.594 1.697 10.620 1.00 0.00 C ATOM 281 C VAL A 21 -0.993 3.039 10.019 1.00 0.00 C ATOM 282 O VAL A 21 -0.141 3.810 9.577 1.00 0.00 O ATOM 283 CB VAL A 21 0.332 0.960 9.634 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.659 0.623 10.299 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.343 -0.296 9.106 1.00 0.00 C ATOM 0 H VAL A 21 -2.277 0.545 10.132 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.058 1.866 11.554 1.00 0.00 H new ATOM 0 HB VAL A 21 0.533 1.619 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.301 0.103 9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.147 1.542 10.623 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.481 -0.017 11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.326 -0.804 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.575 -0.961 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.264 -0.025 8.590 1.00 0.00 H new ATOM 295 N ASP A 22 -2.293 3.313 10.007 1.00 0.00 N ATOM 296 CA ASP A 22 -2.806 4.565 9.462 1.00 0.00 C ATOM 297 C ASP A 22 -2.801 5.662 10.522 1.00 0.00 C ATOM 298 O ASP A 22 -3.828 5.948 11.140 1.00 0.00 O ATOM 299 CB ASP A 22 -4.223 4.368 8.921 1.00 0.00 C ATOM 300 CG ASP A 22 -4.909 5.681 8.601 1.00 0.00 C ATOM 301 OD1 ASP A 22 -6.156 5.723 8.634 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.197 6.667 8.318 1.00 0.00 O ATOM 0 H ASP A 22 -3.011 2.685 10.368 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.153 4.871 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.183 3.754 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.816 3.821 9.654 1.00 0.00 H new ATOM 306 N THR A 23 -1.639 6.272 10.729 1.00 0.00 N ATOM 307 CA THR A 23 -1.500 7.337 11.715 1.00 0.00 C ATOM 308 C THR A 23 -2.486 8.467 11.448 1.00 0.00 C ATOM 309 O THR A 23 -3.102 8.998 12.372 1.00 0.00 O ATOM 310 CB THR A 23 -0.070 7.910 11.725 1.00 0.00 C ATOM 311 OG1 THR A 23 0.522 7.774 10.429 1.00 0.00 O ATOM 312 CG2 THR A 23 0.791 7.199 12.758 1.00 0.00 C ATOM 0 H THR A 23 -0.780 6.047 10.227 1.00 0.00 H new ATOM 0 HA THR A 23 -1.714 6.895 12.688 1.00 0.00 H new ATOM 0 HB THR A 23 -0.128 8.966 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.430 8.142 10.444 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.796 7.621 12.746 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.354 7.330 13.748 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.841 6.136 12.521 1.00 0.00 H new ATOM 320 N ASP A 24 -2.634 8.829 10.179 1.00 0.00 N ATOM 321 CA ASP A 24 -3.549 9.897 9.789 1.00 0.00 C ATOM 322 C ASP A 24 -4.985 9.544 10.163 1.00 0.00 C ATOM 323 O ASP A 24 -5.818 10.426 10.369 1.00 0.00 O ATOM 324 CB ASP A 24 -3.449 10.159 8.286 1.00 0.00 C ATOM 325 CG ASP A 24 -2.145 10.831 7.901 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.945 12.003 8.283 1.00 0.00 O ATOM 327 OD2 ASP A 24 -1.324 10.184 7.217 1.00 0.00 O ATOM 0 H ASP A 24 -2.132 8.399 9.402 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.264 10.802 10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.540 9.215 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.284 10.786 7.973 1.00 0.00 H new ATOM 331 N GLY A 25 -5.268 8.248 10.247 1.00 0.00 N ATOM 332 CA GLY A 25 -6.605 7.802 10.594 1.00 0.00 C ATOM 333 C GLY A 25 -7.612 8.079 9.495 1.00 0.00 C ATOM 334 O GLY A 25 -8.807 7.836 9.664 1.00 0.00 O ATOM 0 H GLY A 25 -4.596 7.499 10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.585 6.732 10.803 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.925 8.300 11.509 1.00 0.00 H new ATOM 338 N ASN A 26 -7.129 8.589 8.367 1.00 0.00 N ATOM 339 CA ASN A 26 -7.997 8.901 7.237 1.00 0.00 C ATOM 340 C ASN A 26 -7.677 8.008 6.043 1.00 0.00 C ATOM 341 O ASN A 26 -7.993 8.341 4.902 1.00 0.00 O ATOM 342 CB ASN A 26 -7.845 10.372 6.843 1.00 0.00 C ATOM 343 CG ASN A 26 -7.657 11.277 8.045 1.00 0.00 C ATOM 344 OD1 ASN A 26 -6.479 11.879 8.154 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -8.561 11.432 8.865 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.142 8.795 8.211 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.028 8.717 7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.991 10.480 6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.727 10.689 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.451 10.949 8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.421 12.044 9.669 1.00 0.00 H new ATOM 351 N GLY A 27 -7.047 6.868 6.315 1.00 0.00 N ATOM 352 CA GLY A 27 -6.697 5.943 5.253 1.00 0.00 C ATOM 353 C GLY A 27 -5.385 6.300 4.583 1.00 0.00 C ATOM 354 O GLY A 27 -5.190 6.027 3.398 1.00 0.00 O ATOM 0 H GLY A 27 -6.773 6.569 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.631 4.934 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.492 5.933 4.507 1.00 0.00 H new ATOM 358 N TYR A 28 -4.484 6.916 5.340 1.00 0.00 N ATOM 359 CA TYR A 28 -3.186 7.316 4.811 1.00 0.00 C ATOM 360 C TYR A 28 -2.053 6.765 5.671 1.00 0.00 C ATOM 361 O TYR A 28 -2.105 6.825 6.900 1.00 0.00 O ATOM 362 CB TYR A 28 -3.089 8.841 4.739 1.00 0.00 C ATOM 363 CG TYR A 28 -3.417 9.404 3.374 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.474 9.399 2.354 1.00 0.00 C ATOM 365 CD2 TYR A 28 -4.670 9.943 3.106 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.769 9.913 1.106 1.00 0.00 C ATOM 367 CE2 TYR A 28 -4.974 10.458 1.861 1.00 0.00 C ATOM 368 CZ TYR A 28 -4.020 10.441 0.864 1.00 0.00 C ATOM 369 OH TYR A 28 -4.320 10.954 -0.377 1.00 0.00 O ATOM 0 H TYR A 28 -4.629 7.149 6.322 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.090 6.904 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.766 9.275 5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.080 9.146 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.493 8.986 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.418 9.959 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.024 9.901 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.953 10.872 1.669 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.746 11.728 -0.559 1.00 0.00 H new ATOM 378 N ILE A 29 -1.030 6.225 5.016 1.00 0.00 N ATOM 379 CA ILE A 29 0.116 5.664 5.719 1.00 0.00 C ATOM 380 C ILE A 29 1.427 6.115 5.083 1.00 0.00 C ATOM 381 O ILE A 29 1.518 6.265 3.865 1.00 0.00 O ATOM 382 CB ILE A 29 0.070 4.125 5.734 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.152 3.577 4.308 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.199 3.641 6.422 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.303 2.072 4.247 1.00 0.00 C ATOM 0 H ILE A 29 -0.972 6.165 3.999 1.00 0.00 H new ATOM 0 HA ILE A 29 0.067 6.031 6.744 1.00 0.00 H new ATOM 0 HB ILE A 29 0.928 3.755 6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.747 3.866 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.996 4.040 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.218 2.551 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.219 4.007 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.070 4.018 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.355 1.753 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.217 1.777 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.554 1.601 4.729 1.00 0.00 H new ATOM 396 N SER A 30 2.440 6.329 5.916 1.00 0.00 N ATOM 397 CA SER A 30 3.746 6.765 5.436 1.00 0.00 C ATOM 398 C SER A 30 4.532 5.591 4.860 1.00 0.00 C ATOM 399 O SER A 30 4.167 4.431 5.050 1.00 0.00 O ATOM 400 CB SER A 30 4.539 7.417 6.570 1.00 0.00 C ATOM 401 OG SER A 30 5.852 7.746 6.151 1.00 0.00 O ATOM 0 H SER A 30 2.382 6.208 6.927 1.00 0.00 H new ATOM 0 HA SER A 30 3.589 7.498 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.025 8.317 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.585 6.739 7.422 1.00 0.00 H new ATOM 0 HG SER A 30 6.337 8.163 6.893 1.00 0.00 H new ATOM 406 N PHE A 31 5.614 5.902 4.153 1.00 0.00 N ATOM 407 CA PHE A 31 6.453 4.874 3.547 1.00 0.00 C ATOM 408 C PHE A 31 6.746 3.756 4.542 1.00 0.00 C ATOM 409 O PHE A 31 6.433 2.592 4.293 1.00 0.00 O ATOM 410 CB PHE A 31 7.763 5.485 3.048 1.00 0.00 C ATOM 411 CG PHE A 31 7.775 5.755 1.571 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.565 4.998 0.720 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.996 6.767 1.032 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.577 5.244 -0.640 1.00 0.00 C ATOM 415 CE2 PHE A 31 7.005 7.018 -0.327 1.00 0.00 C ATOM 416 CZ PHE A 31 7.797 6.256 -1.164 1.00 0.00 C ATOM 0 H PHE A 31 5.930 6.857 3.986 1.00 0.00 H new ATOM 0 HA PHE A 31 5.912 4.450 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.946 6.418 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.585 4.812 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.178 4.207 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.375 7.366 1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.196 4.645 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.393 7.809 -0.734 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.806 6.451 -2.226 1.00 0.00 H new ATOM 425 N ASN A 32 7.349 4.116 5.669 1.00 0.00 N ATOM 426 CA ASN A 32 7.686 3.143 6.701 1.00 0.00 C ATOM 427 C ASN A 32 6.463 2.324 7.097 1.00 0.00 C ATOM 428 O ASN A 32 6.529 1.100 7.194 1.00 0.00 O ATOM 429 CB ASN A 32 8.260 3.851 7.931 1.00 0.00 C ATOM 430 CG ASN A 32 9.499 4.663 7.606 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.962 4.680 6.465 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.043 5.340 8.610 1.00 0.00 N ATOM 0 H ASN A 32 7.615 5.075 5.891 1.00 0.00 H new ATOM 0 HA ASN A 32 8.438 2.466 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.501 4.507 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.504 3.110 8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.878 5.903 8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.625 5.297 9.540 1.00 0.00 H new ATOM 438 N GLU A 33 5.346 3.010 7.324 1.00 0.00 N ATOM 439 CA GLU A 33 4.107 2.345 7.709 1.00 0.00 C ATOM 440 C GLU A 33 3.664 1.355 6.634 1.00 0.00 C ATOM 441 O GLU A 33 3.180 0.264 6.941 1.00 0.00 O ATOM 442 CB GLU A 33 3.004 3.376 7.954 1.00 0.00 C ATOM 443 CG GLU A 33 3.404 4.478 8.920 1.00 0.00 C ATOM 444 CD GLU A 33 2.216 5.287 9.407 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.958 5.282 10.629 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.547 5.924 8.567 1.00 0.00 O ATOM 0 H GLU A 33 5.275 4.025 7.248 1.00 0.00 H new ATOM 0 HA GLU A 33 4.291 1.795 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.720 3.825 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.122 2.867 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.915 4.038 9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.116 5.143 8.432 1.00 0.00 H new ATOM 451 N LEU A 34 3.832 1.743 5.375 1.00 0.00 N ATOM 452 CA LEU A 34 3.450 0.891 4.255 1.00 0.00 C ATOM 453 C LEU A 34 4.177 -0.448 4.316 1.00 0.00 C ATOM 454 O LEU A 34 3.550 -1.502 4.420 1.00 0.00 O ATOM 455 CB LEU A 34 3.756 1.591 2.929 1.00 0.00 C ATOM 456 CG LEU A 34 3.806 0.693 1.692 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.412 0.211 1.326 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.443 1.431 0.523 1.00 0.00 C ATOM 0 H LEU A 34 4.230 2.642 5.104 1.00 0.00 H new ATOM 0 HA LEU A 34 2.378 0.704 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.001 2.360 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.715 2.100 3.023 1.00 0.00 H new ATOM 0 HG LEU A 34 4.419 -0.178 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.467 -0.427 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.993 -0.356 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.774 1.069 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.470 0.777 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.857 2.320 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.459 1.725 0.788 1.00 0.00 H new ATOM 469 N ASN A 35 5.504 -0.399 4.251 1.00 0.00 N ATOM 470 CA ASN A 35 6.317 -1.609 4.301 1.00 0.00 C ATOM 471 C ASN A 35 5.889 -2.504 5.459 1.00 0.00 C ATOM 472 O ASN A 35 5.716 -3.712 5.292 1.00 0.00 O ATOM 473 CB ASN A 35 7.797 -1.247 4.441 1.00 0.00 C ATOM 474 CG ASN A 35 8.692 -2.472 4.462 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.548 -3.344 5.319 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.621 -2.542 3.516 1.00 0.00 N ATOM 0 H ASN A 35 6.039 0.465 4.164 1.00 0.00 H new ATOM 0 HA ASN A 35 6.170 -2.156 3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.090 -0.600 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.944 -0.677 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.252 -3.342 3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.704 -1.795 2.826 1.00 0.00 H new ATOM 482 N ASP A 36 5.719 -1.905 6.633 1.00 0.00 N ATOM 483 CA ASP A 36 5.310 -2.648 7.818 1.00 0.00 C ATOM 484 C ASP A 36 3.927 -3.263 7.624 1.00 0.00 C ATOM 485 O ASP A 36 3.642 -4.348 8.133 1.00 0.00 O ATOM 486 CB ASP A 36 5.305 -1.732 9.044 1.00 0.00 C ATOM 487 CG ASP A 36 6.701 -1.460 9.568 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.566 -1.047 8.766 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.930 -1.658 10.779 1.00 0.00 O ATOM 0 H ASP A 36 5.858 -0.907 6.789 1.00 0.00 H new ATOM 0 HA ASP A 36 6.028 -3.453 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.826 -0.787 8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.706 -2.188 9.832 1.00 0.00 H new ATOM 493 N LEU A 37 3.074 -2.566 6.884 1.00 0.00 N ATOM 494 CA LEU A 37 1.720 -3.043 6.622 1.00 0.00 C ATOM 495 C LEU A 37 1.738 -4.240 5.678 1.00 0.00 C ATOM 496 O LEU A 37 0.917 -5.150 5.796 1.00 0.00 O ATOM 497 CB LEU A 37 0.869 -1.920 6.025 1.00 0.00 C ATOM 498 CG LEU A 37 -0.249 -2.358 5.077 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.202 -3.312 5.780 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.002 -1.146 4.546 1.00 0.00 C ATOM 0 H LEU A 37 3.295 -1.668 6.454 1.00 0.00 H new ATOM 0 HA LEU A 37 1.282 -3.358 7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.424 -1.354 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.528 -1.238 5.487 1.00 0.00 H new ATOM 0 HG LEU A 37 0.200 -2.882 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.990 -3.613 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.655 -4.194 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.645 -2.814 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.794 -1.476 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.439 -0.596 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.313 -0.498 4.005 1.00 0.00 H new ATOM 511 N PHE A 38 2.680 -4.234 4.741 1.00 0.00 N ATOM 512 CA PHE A 38 2.807 -5.321 3.776 1.00 0.00 C ATOM 513 C PHE A 38 3.235 -6.613 4.466 1.00 0.00 C ATOM 514 O PHE A 38 2.760 -7.698 4.128 1.00 0.00 O ATOM 515 CB PHE A 38 3.818 -4.950 2.688 1.00 0.00 C ATOM 516 CG PHE A 38 3.185 -4.658 1.358 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.725 -3.385 1.059 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.052 -5.655 0.405 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.143 -3.113 -0.165 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.470 -5.389 -0.820 1.00 0.00 C ATOM 521 CZ PHE A 38 2.015 -4.117 -1.105 1.00 0.00 C ATOM 0 H PHE A 38 3.367 -3.489 4.629 1.00 0.00 H new ATOM 0 HA PHE A 38 1.832 -5.482 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.384 -4.077 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.530 -5.767 2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.822 -2.597 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.407 -6.652 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.789 -2.117 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.371 -6.175 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.560 -3.907 -2.062 1.00 0.00 H new ATOM 530 N LYS A 39 4.136 -6.489 5.434 1.00 0.00 N ATOM 531 CA LYS A 39 4.630 -7.644 6.173 1.00 0.00 C ATOM 532 C LYS A 39 3.680 -8.010 7.309 1.00 0.00 C ATOM 533 O LYS A 39 3.476 -9.187 7.606 1.00 0.00 O ATOM 534 CB LYS A 39 6.026 -7.361 6.732 1.00 0.00 C ATOM 535 CG LYS A 39 6.973 -6.743 5.719 1.00 0.00 C ATOM 536 CD LYS A 39 8.346 -6.488 6.319 1.00 0.00 C ATOM 537 CE LYS A 39 8.268 -5.533 7.500 1.00 0.00 C ATOM 538 NZ LYS A 39 9.580 -4.885 7.777 1.00 0.00 N ATOM 0 H LYS A 39 4.540 -5.599 5.725 1.00 0.00 H new ATOM 0 HA LYS A 39 4.686 -8.487 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.937 -6.692 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.457 -8.293 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.069 -7.405 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.555 -5.805 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.785 -7.432 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.006 -6.073 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.520 -4.766 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.937 -6.076 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.565 -4.463 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.336 -5.597 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.756 -4.142 7.071 1.00 0.00 H new ATOM 548 N ALA A 40 3.101 -6.994 7.940 1.00 0.00 N ATOM 549 CA ALA A 40 2.171 -7.209 9.041 1.00 0.00 C ATOM 550 C ALA A 40 0.886 -7.871 8.553 1.00 0.00 C ATOM 551 O ALA A 40 0.243 -8.618 9.289 1.00 0.00 O ATOM 552 CB ALA A 40 1.856 -5.891 9.733 1.00 0.00 C ATOM 0 H ALA A 40 3.260 -6.014 7.707 1.00 0.00 H new ATOM 0 HA ALA A 40 2.646 -7.879 9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.160 -6.068 10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.776 -5.457 10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.406 -5.203 9.017 1.00 0.00 H new ATOM 558 N ALA A 41 0.518 -7.590 7.307 1.00 0.00 N ATOM 559 CA ALA A 41 -0.689 -8.160 6.720 1.00 0.00 C ATOM 560 C ALA A 41 -0.400 -9.509 6.072 1.00 0.00 C ATOM 561 O ALA A 41 -1.245 -10.064 5.368 1.00 0.00 O ATOM 562 CB ALA A 41 -1.284 -7.199 5.702 1.00 0.00 C ATOM 0 H ALA A 41 1.038 -6.971 6.685 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.413 -8.319 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.185 -7.637 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.537 -6.259 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.558 -7.011 4.911 1.00 0.00 H new ATOM 568 N CYS A 42 0.798 -10.032 6.313 1.00 0.00 N ATOM 569 CA CYS A 42 1.199 -11.317 5.750 1.00 0.00 C ATOM 570 C CYS A 42 0.967 -11.347 4.243 1.00 0.00 C ATOM 571 O CYS A 42 0.294 -12.238 3.725 1.00 0.00 O ATOM 572 CB CYS A 42 0.425 -12.454 6.419 1.00 0.00 C ATOM 573 SG CYS A 42 0.984 -12.840 8.095 1.00 0.00 S ATOM 0 H CYS A 42 1.508 -9.586 6.894 1.00 0.00 H new ATOM 0 HA CYS A 42 2.264 -11.451 5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.632 -12.190 6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.511 -13.349 5.803 1.00 0.00 H new ATOM 0 HG CYS A 42 0.268 -13.812 8.578 1.00 0.00 H new ATOM 578 N LEU A 43 1.528 -10.366 3.544 1.00 0.00 N ATOM 579 CA LEU A 43 1.380 -10.278 2.095 1.00 0.00 C ATOM 580 C LEU A 43 2.396 -11.172 1.391 1.00 0.00 C ATOM 581 O LEU A 43 3.447 -11.509 1.936 1.00 0.00 O ATOM 582 CB LEU A 43 1.551 -8.829 1.632 1.00 0.00 C ATOM 583 CG LEU A 43 0.492 -7.840 2.120 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.214 -6.789 1.056 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.788 -8.572 2.495 1.00 0.00 C ATOM 0 H LEU A 43 2.089 -9.621 3.957 1.00 0.00 H new ATOM 0 HA LEU A 43 0.378 -10.620 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.528 -8.476 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.558 -8.815 0.542 1.00 0.00 H new ATOM 0 HG LEU A 43 0.873 -7.337 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.542 -6.094 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.132 -6.244 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.147 -7.275 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.531 -7.853 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.173 -9.101 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.578 -9.287 3.290 1.00 0.00 H new ATOM 596 N PRO A 44 2.077 -11.563 0.148 1.00 0.00 N ATOM 597 CA PRO A 44 2.949 -12.421 -0.660 1.00 0.00 C ATOM 598 C PRO A 44 4.217 -11.702 -1.107 1.00 0.00 C ATOM 599 O PRO A 44 5.322 -12.225 -0.966 1.00 0.00 O ATOM 600 CB PRO A 44 2.079 -12.773 -1.869 1.00 0.00 C ATOM 601 CG PRO A 44 1.104 -11.651 -1.974 1.00 0.00 C ATOM 602 CD PRO A 44 0.840 -11.199 -0.564 1.00 0.00 C ATOM 0 HA PRO A 44 3.297 -13.290 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.678 -12.863 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.571 -13.727 -1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.509 -10.837 -2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.184 -11.978 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.649 -10.127 -0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.030 -11.698 -0.138 1.00 0.00 H new ATOM 607 N LEU A 45 4.050 -10.499 -1.645 1.00 0.00 N ATOM 608 CA LEU A 45 5.182 -9.706 -2.113 1.00 0.00 C ATOM 609 C LEU A 45 6.275 -9.640 -1.052 1.00 0.00 C ATOM 610 O LEU A 45 6.008 -9.526 0.144 1.00 0.00 O ATOM 611 CB LEU A 45 4.724 -8.293 -2.478 1.00 0.00 C ATOM 612 CG LEU A 45 3.612 -8.197 -3.523 1.00 0.00 C ATOM 613 CD1 LEU A 45 3.784 -6.948 -4.373 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.594 -9.442 -4.399 1.00 0.00 C ATOM 0 H LEU A 45 3.142 -10.051 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 45 5.591 -10.189 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.385 -7.796 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.587 -7.736 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 45 2.656 -8.129 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.983 -6.897 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.746 -6.065 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.746 -6.985 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.796 -9.356 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.552 -9.541 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.421 -10.321 -3.778 1.00 0.00 H new ATOM 625 N PRO A 46 7.538 -9.711 -1.499 1.00 0.00 N ATOM 626 CA PRO A 46 8.698 -9.659 -0.604 1.00 0.00 C ATOM 627 C PRO A 46 8.892 -8.279 0.015 1.00 0.00 C ATOM 628 O PRO A 46 8.025 -7.412 -0.095 1.00 0.00 O ATOM 629 CB PRO A 46 9.872 -10.001 -1.525 1.00 0.00 C ATOM 630 CG PRO A 46 9.414 -9.603 -2.886 1.00 0.00 C ATOM 631 CD PRO A 46 7.931 -9.848 -2.911 1.00 0.00 C ATOM 0 HA PRO A 46 8.590 -10.337 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.773 -9.459 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.112 -11.063 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.640 -8.555 -3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.919 -10.188 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.415 -9.126 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.694 -10.838 -3.300 1.00 0.00 H new ATOM 636 N GLY A 47 10.034 -8.081 0.666 1.00 0.00 N ATOM 637 CA GLY A 47 10.320 -6.804 1.291 1.00 0.00 C ATOM 638 C GLY A 47 10.853 -5.782 0.307 1.00 0.00 C ATOM 639 O GLY A 47 10.484 -4.609 0.360 1.00 0.00 O ATOM 0 H GLY A 47 10.766 -8.783 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.412 -6.418 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.048 -6.949 2.089 1.00 0.00 H new ATOM 643 N TYR A 48 11.725 -6.226 -0.591 1.00 0.00 N ATOM 644 CA TYR A 48 12.313 -5.341 -1.589 1.00 0.00 C ATOM 645 C TYR A 48 11.260 -4.870 -2.587 1.00 0.00 C ATOM 646 O TYR A 48 11.264 -3.714 -3.012 1.00 0.00 O ATOM 647 CB TYR A 48 13.448 -6.052 -2.326 1.00 0.00 C ATOM 648 CG TYR A 48 12.999 -7.272 -3.098 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.588 -7.167 -4.421 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.984 -8.528 -2.506 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.176 -8.279 -5.132 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.575 -9.644 -3.208 1.00 0.00 C ATOM 653 CZ TYR A 48 12.171 -9.515 -4.520 1.00 0.00 C ATOM 654 OH TYR A 48 11.761 -10.624 -5.223 1.00 0.00 O ATOM 0 H TYR A 48 12.040 -7.194 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 48 12.714 -4.469 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.919 -5.350 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.209 -6.349 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.590 -6.200 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.298 -8.634 -1.478 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.860 -8.180 -6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.571 -10.613 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 48 11.818 -11.415 -4.648 1.00 0.00 H new ATOM 663 N ARG A 49 10.359 -5.773 -2.957 1.00 0.00 N ATOM 664 CA ARG A 49 9.300 -5.452 -3.906 1.00 0.00 C ATOM 665 C ARG A 49 8.501 -4.239 -3.438 1.00 0.00 C ATOM 666 O ARG A 49 8.306 -3.284 -4.189 1.00 0.00 O ATOM 667 CB ARG A 49 8.367 -6.651 -4.088 1.00 0.00 C ATOM 668 CG ARG A 49 8.757 -7.556 -5.245 1.00 0.00 C ATOM 669 CD ARG A 49 7.952 -7.240 -6.495 1.00 0.00 C ATOM 670 NE ARG A 49 8.724 -6.464 -7.463 1.00 0.00 N ATOM 671 CZ ARG A 49 8.305 -6.198 -8.695 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.125 -6.642 -9.107 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.065 -5.486 -9.517 1.00 0.00 N ATOM 0 H ARG A 49 10.341 -6.733 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 49 9.764 -5.214 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.357 -7.236 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.351 -6.289 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.820 -7.440 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.600 -8.597 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.621 -8.170 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.056 -6.685 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 49 9.635 -6.107 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.538 -7.189 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.805 -6.437 -10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.973 -5.142 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.742 -5.283 -10.463 1.00 0.00 H new ATOM 684 N VAL A 50 8.040 -4.285 -2.192 1.00 0.00 N ATOM 685 CA VAL A 50 7.262 -3.190 -1.624 1.00 0.00 C ATOM 686 C VAL A 50 8.081 -1.905 -1.572 1.00 0.00 C ATOM 687 O VAL A 50 7.713 -0.898 -2.175 1.00 0.00 O ATOM 688 CB VAL A 50 6.769 -3.530 -0.206 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.874 -2.421 0.329 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.038 -4.865 -0.202 1.00 0.00 C ATOM 0 H VAL A 50 8.192 -5.069 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 50 6.400 -3.042 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 50 7.635 -3.614 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.535 -2.679 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.434 -1.487 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.011 -2.302 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.696 -5.090 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.180 -4.812 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.714 -5.651 -0.540 1.00 0.00 H new ATOM 700 N ARG A 51 9.193 -1.947 -0.846 1.00 0.00 N ATOM 701 CA ARG A 51 10.064 -0.785 -0.713 1.00 0.00 C ATOM 702 C ARG A 51 10.409 -0.206 -2.081 1.00 0.00 C ATOM 703 O ARG A 51 10.426 1.010 -2.265 1.00 0.00 O ATOM 704 CB ARG A 51 11.345 -1.165 0.031 1.00 0.00 C ATOM 705 CG ARG A 51 12.435 -0.108 -0.054 1.00 0.00 C ATOM 706 CD ARG A 51 13.167 0.046 1.269 1.00 0.00 C ATOM 707 NE ARG A 51 13.319 1.448 1.650 1.00 0.00 N ATOM 708 CZ ARG A 51 14.154 2.287 1.048 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.908 1.868 0.041 1.00 0.00 N ATOM 710 NH2 ARG A 51 14.237 3.548 1.453 1.00 0.00 N ATOM 0 H ARG A 51 9.512 -2.773 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 51 9.532 -0.025 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.106 -1.345 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.727 -2.102 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.146 -0.379 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.995 0.847 -0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.621 -0.485 2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.150 -0.418 1.196 1.00 0.00 H new ATOM 0 HE ARG A 51 12.753 1.802 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.847 0.899 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.549 2.514 -0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.659 3.874 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.879 4.191 0.990 1.00 0.00 H new ATOM 721 N GLU A 52 10.686 -1.087 -3.039 1.00 0.00 N ATOM 722 CA GLU A 52 11.032 -0.662 -4.390 1.00 0.00 C ATOM 723 C GLU A 52 9.837 -0.010 -5.079 1.00 0.00 C ATOM 724 O GLU A 52 9.939 1.101 -5.601 1.00 0.00 O ATOM 725 CB GLU A 52 11.521 -1.856 -5.214 1.00 0.00 C ATOM 726 CG GLU A 52 12.174 -1.462 -6.527 1.00 0.00 C ATOM 727 CD GLU A 52 13.676 -1.666 -6.517 1.00 0.00 C ATOM 728 OE1 GLU A 52 14.135 -2.658 -5.912 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.394 -0.835 -7.111 1.00 0.00 O ATOM 0 H GLU A 52 10.677 -2.098 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 52 11.833 0.074 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.234 -2.429 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.677 -2.514 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.737 -2.048 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.955 -0.415 -6.737 1.00 0.00 H new ATOM 734 N ILE A 53 8.706 -0.708 -5.076 1.00 0.00 N ATOM 735 CA ILE A 53 7.492 -0.197 -5.700 1.00 0.00 C ATOM 736 C ILE A 53 7.176 1.214 -5.213 1.00 0.00 C ATOM 737 O ILE A 53 6.810 2.087 -6.000 1.00 0.00 O ATOM 738 CB ILE A 53 6.285 -1.109 -5.413 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.434 -2.437 -6.157 1.00 0.00 C ATOM 740 CG2 ILE A 53 4.991 -0.415 -5.809 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.742 -3.595 -5.472 1.00 0.00 C ATOM 0 H ILE A 53 8.605 -1.629 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 53 7.674 -0.176 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 53 6.250 -1.316 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.031 -2.327 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.494 -2.668 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.147 -1.072 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.883 0.507 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.014 -0.182 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.890 -4.504 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.162 -3.731 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.675 -3.385 -5.391 1.00 0.00 H new ATOM 752 N THR A 54 7.323 1.431 -3.910 1.00 0.00 N ATOM 753 CA THR A 54 7.053 2.735 -3.318 1.00 0.00 C ATOM 754 C THR A 54 8.066 3.773 -3.789 1.00 0.00 C ATOM 755 O THR A 54 7.705 4.756 -4.434 1.00 0.00 O ATOM 756 CB THR A 54 7.081 2.670 -1.779 1.00 0.00 C ATOM 757 OG1 THR A 54 6.867 1.323 -1.342 1.00 0.00 O ATOM 758 CG2 THR A 54 6.017 3.578 -1.179 1.00 0.00 C ATOM 0 H THR A 54 7.628 0.720 -3.245 1.00 0.00 H new ATOM 0 HA THR A 54 6.056 3.030 -3.644 1.00 0.00 H new ATOM 0 HB THR A 54 8.060 3.011 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.624 0.765 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.056 3.515 -0.092 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.199 4.607 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.033 3.263 -1.525 1.00 0.00 H new ATOM 766 N GLU A 55 9.335 3.545 -3.464 1.00 0.00 N ATOM 767 CA GLU A 55 10.399 4.461 -3.856 1.00 0.00 C ATOM 768 C GLU A 55 10.378 4.708 -5.361 1.00 0.00 C ATOM 769 O GLU A 55 10.838 5.745 -5.837 1.00 0.00 O ATOM 770 CB GLU A 55 11.762 3.904 -3.437 1.00 0.00 C ATOM 771 CG GLU A 55 12.521 4.807 -2.480 1.00 0.00 C ATOM 772 CD GLU A 55 13.669 5.535 -3.152 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.829 5.320 -2.740 1.00 0.00 O ATOM 774 OE2 GLU A 55 13.409 6.318 -4.089 1.00 0.00 O ATOM 0 H GLU A 55 9.650 2.735 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 55 10.231 5.411 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.619 2.931 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.368 3.742 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.833 5.537 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.908 4.211 -1.653 1.00 0.00 H new ATOM 779 N ASN A 56 9.843 3.746 -6.105 1.00 0.00 N ATOM 780 CA ASN A 56 9.762 3.858 -7.557 1.00 0.00 C ATOM 781 C ASN A 56 8.484 4.575 -7.978 1.00 0.00 C ATOM 782 O ASN A 56 8.421 5.178 -9.050 1.00 0.00 O ATOM 783 CB ASN A 56 9.817 2.470 -8.200 1.00 0.00 C ATOM 784 CG ASN A 56 9.939 2.537 -9.710 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.874 3.136 -10.242 1.00 0.00 O ATOM 786 ND2 ASN A 56 8.992 1.919 -10.407 1.00 0.00 N ATOM 0 H ASN A 56 9.459 2.880 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 56 10.615 4.444 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.664 1.918 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.918 1.914 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.021 1.928 -11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.236 1.435 -9.923 1.00 0.00 H new ATOM 792 N LEU A 57 7.465 4.505 -7.127 1.00 0.00 N ATOM 793 CA LEU A 57 6.187 5.148 -7.410 1.00 0.00 C ATOM 794 C LEU A 57 6.337 6.667 -7.439 1.00 0.00 C ATOM 795 O LEU A 57 6.095 7.304 -8.464 1.00 0.00 O ATOM 796 CB LEU A 57 5.149 4.747 -6.361 1.00 0.00 C ATOM 797 CG LEU A 57 3.808 4.248 -6.900 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.956 2.856 -7.494 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.756 4.252 -5.801 1.00 0.00 C ATOM 0 H LEU A 57 7.500 4.010 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 57 5.850 4.815 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.579 3.966 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.962 5.606 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 57 3.482 4.925 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.991 2.517 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.677 2.884 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.306 2.167 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.808 3.894 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.076 3.599 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.629 5.266 -5.422 1.00 0.00 H new ATOM 810 N MET A 58 6.736 7.238 -6.309 1.00 0.00 N ATOM 811 CA MET A 58 6.921 8.681 -6.206 1.00 0.00 C ATOM 812 C MET A 58 8.205 9.116 -6.906 1.00 0.00 C ATOM 813 O MET A 58 8.425 10.305 -7.137 1.00 0.00 O ATOM 814 CB MET A 58 6.957 9.110 -4.738 1.00 0.00 C ATOM 815 CG MET A 58 7.931 8.304 -3.893 1.00 0.00 C ATOM 816 SD MET A 58 9.400 9.244 -3.438 1.00 0.00 S ATOM 817 CE MET A 58 9.497 8.893 -1.685 1.00 0.00 C ATOM 0 H MET A 58 6.938 6.724 -5.451 1.00 0.00 H new ATOM 0 HA MET A 58 6.077 9.165 -6.698 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.227 10.165 -4.683 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.957 9.015 -4.315 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.427 7.965 -2.988 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.231 7.412 -4.443 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.231 9.552 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.522 9.057 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.797 7.855 -1.538 1.00 0.00 H new ATOM 825 N ALA A 59 9.050 8.146 -7.240 1.00 0.00 N ATOM 826 CA ALA A 59 10.310 8.429 -7.915 1.00 0.00 C ATOM 827 C ALA A 59 10.098 9.355 -9.108 1.00 0.00 C ATOM 828 O ALA A 59 11.007 10.078 -9.515 1.00 0.00 O ATOM 829 CB ALA A 59 10.973 7.134 -8.361 1.00 0.00 C ATOM 0 H ALA A 59 8.884 7.157 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 59 10.967 8.935 -7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.913 7.361 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.169 6.507 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.313 6.605 -9.048 1.00 0.00 H new ATOM 835 N THR A 60 8.891 9.327 -9.666 1.00 0.00 N ATOM 836 CA THR A 60 8.561 10.162 -10.814 1.00 0.00 C ATOM 837 C THR A 60 7.612 11.287 -10.419 1.00 0.00 C ATOM 838 O THR A 60 7.920 12.465 -10.600 1.00 0.00 O ATOM 839 CB THR A 60 7.917 9.335 -11.943 1.00 0.00 C ATOM 840 OG1 THR A 60 7.061 8.330 -11.389 1.00 0.00 O ATOM 841 CG2 THR A 60 8.984 8.679 -12.808 1.00 0.00 C ATOM 0 H THR A 60 8.126 8.735 -9.341 1.00 0.00 H new ATOM 0 HA THR A 60 9.497 10.589 -11.175 1.00 0.00 H new ATOM 0 HB THR A 60 7.328 10.008 -12.566 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.655 7.810 -12.114 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.506 8.100 -13.599 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.616 9.448 -13.252 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.595 8.018 -12.193 1.00 0.00 H new ATOM 849 N GLY A 61 6.455 10.917 -9.879 1.00 0.00 N ATOM 850 CA GLY A 61 5.478 11.908 -9.467 1.00 0.00 C ATOM 851 C GLY A 61 4.164 11.286 -9.039 1.00 0.00 C ATOM 852 O GLY A 61 3.092 11.786 -9.377 1.00 0.00 O ATOM 0 H GLY A 61 6.177 9.949 -9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.885 12.493 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.298 12.600 -10.290 1.00 0.00 H new ATOM 856 N ASP A 62 4.247 10.190 -8.293 1.00 0.00 N ATOM 857 CA ASP A 62 3.055 9.496 -7.817 1.00 0.00 C ATOM 858 C ASP A 62 2.596 10.061 -6.478 1.00 0.00 C ATOM 859 O ASP A 62 1.436 10.444 -6.318 1.00 0.00 O ATOM 860 CB ASP A 62 3.330 7.997 -7.687 1.00 0.00 C ATOM 861 CG ASP A 62 3.238 7.272 -9.015 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.410 6.346 -9.130 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.995 7.634 -9.940 1.00 0.00 O ATOM 0 H ASP A 62 5.127 9.763 -8.005 1.00 0.00 H new ATOM 0 HA ASP A 62 2.259 9.649 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.324 7.849 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.617 7.560 -6.988 1.00 0.00 H new ATOM 867 N LEU A 63 3.511 10.108 -5.516 1.00 0.00 N ATOM 868 CA LEU A 63 3.200 10.625 -4.188 1.00 0.00 C ATOM 869 C LEU A 63 3.599 12.093 -4.068 1.00 0.00 C ATOM 870 O LEU A 63 3.886 12.581 -2.975 1.00 0.00 O ATOM 871 CB LEU A 63 3.918 9.801 -3.118 1.00 0.00 C ATOM 872 CG LEU A 63 3.624 8.300 -3.117 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.262 7.827 -4.517 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.817 7.523 -2.580 1.00 0.00 C ATOM 0 H LEU A 63 4.475 9.794 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 63 2.123 10.547 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.992 9.940 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.654 10.203 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 63 2.772 8.116 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.056 6.757 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.377 8.361 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.093 8.024 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.590 6.457 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.687 7.712 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.030 7.842 -1.560 1.00 0.00 H new ATOM 885 N ASP A 64 3.613 12.791 -5.198 1.00 0.00 N ATOM 886 CA ASP A 64 3.973 14.204 -5.220 1.00 0.00 C ATOM 887 C ASP A 64 2.983 15.029 -4.403 1.00 0.00 C ATOM 888 O ASP A 64 3.252 16.182 -4.068 1.00 0.00 O ATOM 889 CB ASP A 64 4.020 14.719 -6.659 1.00 0.00 C ATOM 890 CG ASP A 64 4.619 16.108 -6.759 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.330 16.516 -5.817 1.00 0.00 O ATOM 892 OD2 ASP A 64 4.377 16.786 -7.778 1.00 0.00 O ATOM 0 H ASP A 64 3.379 12.401 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 64 4.962 14.309 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.604 14.030 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.011 14.732 -7.070 1.00 0.00 H new ATOM 896 N GLN A 65 1.840 14.431 -4.088 1.00 0.00 N ATOM 897 CA GLN A 65 0.809 15.112 -3.312 1.00 0.00 C ATOM 898 C GLN A 65 1.339 15.514 -1.940 1.00 0.00 C ATOM 899 O GLN A 65 0.919 16.524 -1.374 1.00 0.00 O ATOM 900 CB GLN A 65 -0.418 14.212 -3.156 1.00 0.00 C ATOM 901 CG GLN A 65 -0.351 13.296 -1.945 1.00 0.00 C ATOM 902 CD GLN A 65 -1.615 12.480 -1.759 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.655 13.008 -1.368 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.530 11.184 -2.040 1.00 0.00 N ATOM 0 H GLN A 65 1.603 13.476 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 65 0.521 16.016 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.309 14.836 -3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.530 13.605 -4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.499 12.622 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.175 13.894 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.646 10.789 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.348 10.584 -1.934 1.00 0.00 H new ATOM 911 N ASP A 66 2.261 14.718 -1.410 1.00 0.00 N ATOM 912 CA ASP A 66 2.848 14.991 -0.103 1.00 0.00 C ATOM 913 C ASP A 66 3.908 13.952 0.244 1.00 0.00 C ATOM 914 O ASP A 66 4.847 14.233 0.988 1.00 0.00 O ATOM 915 CB ASP A 66 1.762 15.010 0.973 1.00 0.00 C ATOM 916 CG ASP A 66 1.500 16.405 1.508 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.467 16.999 1.133 1.00 0.00 O ATOM 918 OD2 ASP A 66 2.328 16.902 2.299 1.00 0.00 O ATOM 0 H ASP A 66 2.618 13.878 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 66 3.325 15.970 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.839 14.603 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.058 14.358 1.795 1.00 0.00 H new ATOM 922 N GLY A 67 3.752 12.749 -0.300 1.00 0.00 N ATOM 923 CA GLY A 67 4.703 11.684 -0.034 1.00 0.00 C ATOM 924 C GLY A 67 4.081 10.528 0.724 1.00 0.00 C ATOM 925 O GLY A 67 4.690 9.466 0.858 1.00 0.00 O ATOM 0 H GLY A 67 2.984 12.492 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.109 11.319 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.539 12.083 0.540 1.00 0.00 H new ATOM 929 N ARG A 68 2.867 10.734 1.224 1.00 0.00 N ATOM 930 CA ARG A 68 2.165 9.701 1.976 1.00 0.00 C ATOM 931 C ARG A 68 1.705 8.576 1.054 1.00 0.00 C ATOM 932 O ARG A 68 2.044 8.552 -0.129 1.00 0.00 O ATOM 933 CB ARG A 68 0.963 10.300 2.707 1.00 0.00 C ATOM 934 CG ARG A 68 1.273 11.606 3.422 1.00 0.00 C ATOM 935 CD ARG A 68 0.386 12.737 2.925 1.00 0.00 C ATOM 936 NE ARG A 68 -0.957 12.669 3.494 1.00 0.00 N ATOM 937 CZ ARG A 68 -1.865 13.628 3.351 1.00 0.00 C ATOM 938 NH1 ARG A 68 -1.575 14.722 2.662 1.00 0.00 N ATOM 939 NH2 ARG A 68 -3.066 13.493 3.898 1.00 0.00 N ATOM 0 H ARG A 68 2.349 11.607 1.122 1.00 0.00 H new ATOM 0 HA ARG A 68 2.857 9.287 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.160 10.470 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.593 9.577 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.133 11.477 4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.320 11.868 3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.841 13.694 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.322 12.696 1.838 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.212 11.840 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.653 14.829 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.274 15.457 2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.293 12.652 4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.762 14.230 3.788 1.00 0.00 H new ATOM 950 N ILE A 69 0.931 7.647 1.604 1.00 0.00 N ATOM 951 CA ILE A 69 0.423 6.520 0.832 1.00 0.00 C ATOM 952 C ILE A 69 -0.967 6.110 1.304 1.00 0.00 C ATOM 953 O ILE A 69 -1.124 5.546 2.386 1.00 0.00 O ATOM 954 CB ILE A 69 1.364 5.303 0.925 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.755 5.666 0.402 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.789 4.128 0.148 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.813 4.637 0.734 1.00 0.00 C ATOM 0 H ILE A 69 0.642 7.653 2.582 1.00 0.00 H new ATOM 0 HA ILE A 69 0.369 6.849 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 69 1.455 5.011 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.707 5.789 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.052 6.628 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.465 3.276 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.182 3.858 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.672 4.407 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.773 4.960 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.890 4.530 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.539 3.678 0.293 1.00 0.00 H new ATOM 968 N SER A 70 -1.973 6.398 0.485 1.00 0.00 N ATOM 969 CA SER A 70 -3.353 6.061 0.819 1.00 0.00 C ATOM 970 C SER A 70 -3.642 4.595 0.518 1.00 0.00 C ATOM 971 O SER A 70 -2.986 3.980 -0.324 1.00 0.00 O ATOM 972 CB SER A 70 -4.321 6.955 0.042 1.00 0.00 C ATOM 973 OG SER A 70 -5.472 6.232 -0.359 1.00 0.00 O ATOM 0 H SER A 70 -1.859 6.864 -0.415 1.00 0.00 H new ATOM 0 HA SER A 70 -3.494 6.228 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.617 7.801 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.820 7.363 -0.836 1.00 0.00 H new ATOM 0 HG SER A 70 -6.076 6.826 -0.852 1.00 0.00 H new ATOM 978 N PHE A 71 -4.629 4.038 1.213 1.00 0.00 N ATOM 979 CA PHE A 71 -5.006 2.642 1.022 1.00 0.00 C ATOM 980 C PHE A 71 -5.114 2.306 -0.464 1.00 0.00 C ATOM 981 O PHE A 71 -4.776 1.201 -0.887 1.00 0.00 O ATOM 982 CB PHE A 71 -6.337 2.351 1.719 1.00 0.00 C ATOM 983 CG PHE A 71 -6.627 0.885 1.869 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.604 -0.015 2.119 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.922 0.407 1.761 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.867 -1.365 2.259 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.191 -0.941 1.899 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.162 -1.829 2.148 1.00 0.00 C ATOM 0 H PHE A 71 -5.182 4.532 1.913 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.228 2.018 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.330 2.815 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.144 2.817 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.589 0.342 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.731 1.096 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.060 -2.056 2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.206 -1.301 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.371 -2.883 2.255 1.00 0.00 H new ATOM 997 N ASP A 72 -5.588 3.268 -1.248 1.00 0.00 N ATOM 998 CA ASP A 72 -5.740 3.076 -2.686 1.00 0.00 C ATOM 999 C ASP A 72 -4.421 2.646 -3.320 1.00 0.00 C ATOM 1000 O ASP A 72 -4.350 1.616 -3.988 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.241 4.364 -3.343 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.061 4.352 -4.849 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -6.808 3.617 -5.530 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -5.176 5.078 -5.346 1.00 0.00 O ATOM 0 H ASP A 72 -5.873 4.188 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.473 2.286 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.296 4.503 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.706 5.215 -2.922 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.379 3.444 -3.105 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.063 3.145 -3.657 1.00 0.00 C ATOM 1010 C GLU A 73 -1.609 1.745 -3.256 1.00 0.00 C ATOM 1011 O GLU A 73 -1.166 0.960 -4.094 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.040 4.181 -3.184 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.906 5.373 -4.114 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.860 6.499 -3.762 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.128 6.693 -2.558 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.337 7.185 -4.690 1.00 0.00 O ATOM 0 H GLU A 73 -3.421 4.301 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.135 3.186 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.325 4.534 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.068 3.699 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.118 5.745 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.092 5.052 -5.139 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.724 1.439 -1.968 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.324 0.134 -1.454 1.00 0.00 C ATOM 1023 C PHE A 74 -1.971 -0.989 -2.259 1.00 0.00 C ATOM 1024 O PHE A 74 -1.289 -1.896 -2.737 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.707 0.005 0.022 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.633 -1.403 0.539 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.522 -1.841 1.242 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.675 -2.291 0.322 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.450 -3.135 1.719 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.610 -3.587 0.797 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.495 -4.010 1.496 1.00 0.00 C ATOM 0 H PHE A 74 -2.091 2.077 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.242 0.049 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.048 0.637 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.720 0.382 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.298 -1.161 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.548 -1.966 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.422 -3.462 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.429 -4.269 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.441 -5.023 1.867 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.289 -0.922 -2.404 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.028 -1.932 -3.150 1.00 0.00 C ATOM 1042 C ILE A 75 -3.492 -2.067 -4.571 1.00 0.00 C ATOM 1043 O ILE A 75 -3.135 -3.160 -5.012 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.531 -1.600 -3.210 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.129 -1.586 -1.802 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.260 -2.603 -4.091 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -5.989 -2.904 -1.073 1.00 0.00 C ATOM 0 H ILE A 75 -3.868 -0.178 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.893 -2.876 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.652 -0.608 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.644 -0.804 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.186 -1.327 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.321 -2.355 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.848 -2.568 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.134 -3.606 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.435 -2.821 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.498 -3.687 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.933 -3.156 -0.976 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.436 -0.946 -5.285 1.00 0.00 N ATOM 1059 CA LYS A 76 -2.940 -0.937 -6.656 1.00 0.00 C ATOM 1060 C LYS A 76 -1.597 -1.656 -6.754 1.00 0.00 C ATOM 1061 O LYS A 76 -1.329 -2.359 -7.729 1.00 0.00 O ATOM 1062 CB LYS A 76 -2.798 0.501 -7.159 1.00 0.00 C ATOM 1063 CG LYS A 76 -2.968 0.640 -8.662 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.143 1.791 -9.213 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.737 2.335 -10.503 1.00 0.00 C ATOM 1066 NZ LYS A 76 -4.054 2.990 -10.274 1.00 0.00 N ATOM 0 H LYS A 76 -3.728 -0.033 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.661 -1.465 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.537 1.126 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.816 0.880 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.671 -0.288 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.020 0.800 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.088 2.588 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.122 1.454 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.047 3.053 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.855 1.522 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.228 3.690 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.806 2.272 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.049 3.466 -9.349 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.760 -1.476 -5.739 1.00 0.00 N ATOM 1077 CA ILE A 77 0.553 -2.110 -5.710 1.00 0.00 C ATOM 1078 C ILE A 77 0.435 -3.607 -5.443 1.00 0.00 C ATOM 1079 O ILE A 77 1.183 -4.409 -6.003 1.00 0.00 O ATOM 1080 CB ILE A 77 1.460 -1.478 -4.638 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.736 -0.011 -4.973 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.763 -2.254 -4.523 1.00 0.00 C ATOM 1083 CD1 ILE A 77 2.310 0.775 -3.814 1.00 0.00 C ATOM 0 H ILE A 77 -0.967 -0.897 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 77 1.001 -1.953 -6.691 1.00 0.00 H new ATOM 0 HB ILE A 77 0.947 -1.522 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.429 0.038 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.808 0.460 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.394 -1.795 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.549 -3.286 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.282 -2.238 -5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.481 1.806 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.609 0.757 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.255 0.328 -3.504 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.510 -3.976 -4.583 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.727 -5.377 -4.242 1.00 0.00 C ATOM 1096 C PHE A 78 -1.301 -6.143 -5.430 1.00 0.00 C ATOM 1097 O PHE A 78 -1.122 -7.356 -5.546 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.669 -5.491 -3.042 1.00 0.00 C ATOM 1099 CG PHE A 78 -2.075 -6.903 -2.732 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -1.325 -7.678 -1.863 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -3.207 -7.456 -3.309 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -1.695 -8.978 -1.575 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -3.583 -8.755 -3.023 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.825 -9.518 -2.157 1.00 0.00 C ATOM 0 H PHE A 78 -1.137 -3.325 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 78 0.236 -5.816 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.183 -5.060 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.563 -4.898 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.440 -7.261 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.802 -6.865 -3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.101 -9.571 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.469 -9.173 -3.477 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.115 -10.534 -1.935 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.993 -5.427 -6.310 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.595 -6.039 -7.489 1.00 0.00 C ATOM 1115 C HIS A 79 -1.609 -6.059 -8.654 1.00 0.00 C ATOM 1116 O HIS A 79 -1.599 -6.992 -9.456 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.862 -5.285 -7.891 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.118 -6.076 -7.695 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -6.135 -6.117 -8.626 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.519 -6.860 -6.668 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -7.107 -6.892 -8.179 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.758 -7.356 -6.992 1.00 0.00 N ATOM 0 H HIS A 79 -2.151 -4.423 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.857 -7.067 -7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.927 -4.365 -7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.785 -4.995 -8.939 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.136 -5.626 -9.520 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.967 -7.059 -5.761 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.030 -7.109 -8.696 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.781 -5.023 -8.740 1.00 0.00 N ATOM 1130 CA GLY A 80 0.196 -4.940 -9.810 1.00 0.00 C ATOM 1131 C GLY A 80 -0.449 -4.877 -11.180 1.00 0.00 C ATOM 1132 O GLY A 80 -0.180 -5.716 -12.041 1.00 0.00 O ATOM 0 H GLY A 80 -0.769 -4.239 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.817 -4.056 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.857 -5.805 -9.762 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.304 -3.881 -11.385 1.00 0.00 N ATOM 1137 CA LEU A 81 -1.990 -3.713 -12.661 1.00 0.00 C ATOM 1138 C LEU A 81 -2.030 -2.244 -13.068 1.00 0.00 C ATOM 1139 O LEU A 81 -2.559 -1.400 -12.344 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.413 -4.268 -12.574 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.542 -5.791 -12.584 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.614 -6.243 -11.604 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.856 -6.290 -13.987 1.00 0.00 C ATOM 0 H LEU A 81 -1.539 -3.178 -10.684 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.436 -4.266 -13.419 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.873 -3.891 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.989 -3.869 -13.409 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.589 -6.219 -12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.691 -7.330 -11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.348 -5.918 -10.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.572 -5.806 -11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.944 -7.376 -13.976 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.795 -5.853 -14.327 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.054 -5.998 -14.665 1.00 0.00 H new ATOM 1154 N LYS A 82 -1.468 -1.943 -14.234 1.00 0.00 N ATOM 1155 CA LYS A 82 -1.441 -0.577 -14.742 1.00 0.00 C ATOM 1156 C LYS A 82 -2.854 -0.017 -14.876 1.00 0.00 C ATOM 1157 O LYS A 82 -3.802 -0.758 -15.137 1.00 0.00 O ATOM 1158 CB LYS A 82 -0.730 -0.527 -16.096 1.00 0.00 C ATOM 1159 CG LYS A 82 -1.422 -1.342 -17.176 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.131 -0.793 -18.562 1.00 0.00 C ATOM 1161 CE LYS A 82 -1.864 0.516 -18.809 1.00 0.00 C ATOM 1162 NZ LYS A 82 -1.106 1.412 -19.727 1.00 0.00 N ATOM 0 H LYS A 82 -1.024 -2.628 -14.846 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.892 0.037 -14.028 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.661 0.511 -16.423 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.290 -0.891 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.092 -2.379 -17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.498 -1.340 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.058 -0.637 -18.675 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.427 -1.525 -19.314 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.846 0.308 -19.234 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.029 1.025 -17.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.639 2.294 -19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.179 1.632 -19.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.971 0.937 -20.642 1.00 0.00 H new TER 1172 LYS A 82