USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=9.59e-05 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 28:sc= 0.133 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0444) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.033 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -2:sc= 1.16 USER MOD Single : A 37 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-5.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.6!) USER MOD Single : A 44 TYR OH : rot 130:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 80:sc= 0.264 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0659 K(o=-0.066,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0178 (180deg=-0.193) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -49:sc= 0.712 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.309 13.235 35.933 1.00 0.00 N ATOM 2 CA GLY A 1 -16.065 14.424 35.138 1.00 0.00 C ATOM 3 C GLY A 1 -16.138 14.151 33.649 1.00 0.00 C ATOM 4 O GLY A 1 -15.169 13.687 33.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.248 13.474 36.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.258 12.865 35.722 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.597 12.513 35.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.796 15.189 35.400 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.082 14.826 35.383 1.00 0.00 H new ATOM 8 N SER A 2 -17.290 14.439 33.052 1.00 0.00 N ATOM 9 CA SER A 2 -17.488 14.216 31.624 1.00 0.00 C ATOM 10 C SER A 2 -17.369 15.525 30.849 1.00 0.00 C ATOM 11 O SER A 2 -17.891 16.558 31.269 1.00 0.00 O ATOM 12 CB SER A 2 -18.857 13.582 31.370 1.00 0.00 C ATOM 13 OG SER A 2 -19.887 14.325 31.998 1.00 0.00 O ATOM 0 H SER A 2 -18.100 14.827 33.535 1.00 0.00 H new ATOM 0 HA SER A 2 -16.711 13.536 31.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.044 13.530 30.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.862 12.558 31.745 1.00 0.00 H new ATOM 0 HG SER A 2 -20.752 13.901 31.819 1.00 0.00 H new ATOM 19 N SER A 3 -16.678 15.473 29.715 1.00 0.00 N ATOM 20 CA SER A 3 -16.487 16.654 28.881 1.00 0.00 C ATOM 21 C SER A 3 -17.556 16.732 27.795 1.00 0.00 C ATOM 22 O SER A 3 -18.142 17.788 27.560 1.00 0.00 O ATOM 23 CB SER A 3 -15.096 16.634 28.244 1.00 0.00 C ATOM 24 OG SER A 3 -14.956 17.675 27.293 1.00 0.00 O ATOM 0 H SER A 3 -16.241 14.626 29.352 1.00 0.00 H new ATOM 0 HA SER A 3 -16.576 17.535 29.516 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.336 16.740 29.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.927 15.671 27.762 1.00 0.00 H new ATOM 0 HG SER A 3 -14.058 17.642 26.901 1.00 0.00 H new ATOM 30 N GLY A 4 -17.804 15.604 27.136 1.00 0.00 N ATOM 31 CA GLY A 4 -18.801 15.565 26.082 1.00 0.00 C ATOM 32 C GLY A 4 -18.562 16.618 25.018 1.00 0.00 C ATOM 33 O GLY A 4 -18.922 17.782 25.195 1.00 0.00 O ATOM 0 H GLY A 4 -17.333 14.717 27.313 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.797 14.578 25.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.790 15.710 26.516 1.00 0.00 H new ATOM 37 N SER A 5 -17.951 16.210 23.911 1.00 0.00 N ATOM 38 CA SER A 5 -17.659 17.128 22.816 1.00 0.00 C ATOM 39 C SER A 5 -18.718 17.023 21.722 1.00 0.00 C ATOM 40 O SER A 5 -19.582 16.148 21.762 1.00 0.00 O ATOM 41 CB SER A 5 -16.276 16.835 22.232 1.00 0.00 C ATOM 42 OG SER A 5 -16.140 15.463 21.904 1.00 0.00 O ATOM 0 H SER A 5 -17.648 15.250 23.748 1.00 0.00 H new ATOM 0 HA SER A 5 -17.671 18.143 23.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.118 17.442 21.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.507 17.118 22.951 1.00 0.00 H new ATOM 0 HG SER A 5 -15.248 15.303 21.531 1.00 0.00 H new ATOM 48 N SER A 6 -18.642 17.923 20.747 1.00 0.00 N ATOM 49 CA SER A 6 -19.596 17.936 19.643 1.00 0.00 C ATOM 50 C SER A 6 -18.890 17.693 18.313 1.00 0.00 C ATOM 51 O SER A 6 -17.773 18.160 18.096 1.00 0.00 O ATOM 52 CB SER A 6 -20.342 19.270 19.602 1.00 0.00 C ATOM 53 OG SER A 6 -19.445 20.350 19.408 1.00 0.00 O ATOM 0 H SER A 6 -17.931 18.652 20.699 1.00 0.00 H new ATOM 0 HA SER A 6 -20.314 17.132 19.805 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.077 19.255 18.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.891 19.412 20.533 1.00 0.00 H new ATOM 0 HG SER A 6 -19.947 21.192 19.384 1.00 0.00 H new ATOM 59 N GLY A 7 -19.552 16.958 17.424 1.00 0.00 N ATOM 60 CA GLY A 7 -18.974 16.665 16.126 1.00 0.00 C ATOM 61 C GLY A 7 -18.498 15.230 16.013 1.00 0.00 C ATOM 62 O GLY A 7 -18.622 14.452 16.959 1.00 0.00 O ATOM 0 H GLY A 7 -20.478 16.560 17.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.714 16.861 15.350 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.136 17.338 15.945 1.00 0.00 H new ATOM 66 N MET A 8 -17.953 14.878 14.853 1.00 0.00 N ATOM 67 CA MET A 8 -17.458 13.526 14.621 1.00 0.00 C ATOM 68 C MET A 8 -15.951 13.533 14.386 1.00 0.00 C ATOM 69 O MET A 8 -15.392 14.466 13.810 1.00 0.00 O ATOM 70 CB MET A 8 -18.170 12.898 13.422 1.00 0.00 C ATOM 71 CG MET A 8 -19.680 12.825 13.582 1.00 0.00 C ATOM 72 SD MET A 8 -20.179 11.953 15.078 1.00 0.00 S ATOM 73 CE MET A 8 -21.777 11.314 14.581 1.00 0.00 C ATOM 0 H MET A 8 -17.843 15.510 14.060 1.00 0.00 H new ATOM 0 HA MET A 8 -17.667 12.931 15.510 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.935 13.475 12.527 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.780 11.892 13.264 1.00 0.00 H new ATOM 0 HG2 MET A 8 -20.088 13.835 13.602 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.110 12.325 12.714 1.00 0.00 H new ATOM 0 HE1 MET A 8 -22.215 10.749 15.404 1.00 0.00 H new ATOM 0 HE2 MET A 8 -22.435 12.143 14.320 1.00 0.00 H new ATOM 0 HE3 MET A 8 -21.655 10.661 13.717 1.00 0.00 H new ATOM 83 N PRO A 9 -15.275 12.467 14.842 1.00 0.00 N ATOM 84 CA PRO A 9 -13.823 12.327 14.693 1.00 0.00 C ATOM 85 C PRO A 9 -13.410 12.092 13.244 1.00 0.00 C ATOM 86 O PRO A 9 -14.252 12.056 12.346 1.00 0.00 O ATOM 87 CB PRO A 9 -13.496 11.101 15.548 1.00 0.00 C ATOM 88 CG PRO A 9 -14.759 10.312 15.580 1.00 0.00 C ATOM 89 CD PRO A 9 -15.876 11.318 15.539 1.00 0.00 C ATOM 0 HA PRO A 9 -13.292 13.229 14.997 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.679 10.523 15.115 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.185 11.390 16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.816 9.631 14.731 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.816 9.702 16.482 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.744 10.933 15.004 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.212 11.586 16.541 1.00 0.00 H new ATOM 97 N SER A 10 -12.109 11.931 13.023 1.00 0.00 N ATOM 98 CA SER A 10 -11.584 11.702 11.682 1.00 0.00 C ATOM 99 C SER A 10 -10.670 10.481 11.658 1.00 0.00 C ATOM 100 O SER A 10 -9.730 10.380 12.448 1.00 0.00 O ATOM 101 CB SER A 10 -10.821 12.934 11.193 1.00 0.00 C ATOM 102 OG SER A 10 -9.834 13.328 12.130 1.00 0.00 O ATOM 0 H SER A 10 -11.399 11.955 13.755 1.00 0.00 H new ATOM 0 HA SER A 10 -12.426 11.517 11.015 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.350 12.717 10.234 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.518 13.755 11.027 1.00 0.00 H new ATOM 0 HG SER A 10 -9.536 12.546 12.639 1.00 0.00 H new ATOM 108 N ARG A 11 -10.952 9.556 10.747 1.00 0.00 N ATOM 109 CA ARG A 11 -10.156 8.341 10.619 1.00 0.00 C ATOM 110 C ARG A 11 -8.799 8.643 9.991 1.00 0.00 C ATOM 111 O ARG A 11 -8.694 9.460 9.076 1.00 0.00 O ATOM 112 CB ARG A 11 -10.901 7.304 9.777 1.00 0.00 C ATOM 113 CG ARG A 11 -10.315 5.905 9.874 1.00 0.00 C ATOM 114 CD ARG A 11 -10.926 4.972 8.841 1.00 0.00 C ATOM 115 NE ARG A 11 -12.367 4.818 9.026 1.00 0.00 N ATOM 116 CZ ARG A 11 -13.165 4.238 8.137 1.00 0.00 C ATOM 117 NH1 ARG A 11 -12.664 3.757 7.007 1.00 0.00 N ATOM 118 NH2 ARG A 11 -14.465 4.136 8.377 1.00 0.00 N ATOM 0 H ARG A 11 -11.726 9.625 10.086 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.992 7.937 11.618 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.944 7.274 10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.892 7.621 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.235 5.951 9.731 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.487 5.506 10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.728 5.359 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.446 3.996 8.906 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.783 5.176 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.664 3.832 6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.279 3.312 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.854 4.503 9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.076 3.690 7.693 1.00 0.00 H new ATOM 132 N LYS A 12 -7.761 7.979 10.489 1.00 0.00 N ATOM 133 CA LYS A 12 -6.410 8.174 9.977 1.00 0.00 C ATOM 134 C LYS A 12 -6.405 8.205 8.452 1.00 0.00 C ATOM 135 O LYS A 12 -5.666 8.976 7.839 1.00 0.00 O ATOM 136 CB LYS A 12 -5.487 7.061 10.478 1.00 0.00 C ATOM 137 CG LYS A 12 -4.041 7.497 10.638 1.00 0.00 C ATOM 138 CD LYS A 12 -3.113 6.304 10.799 1.00 0.00 C ATOM 139 CE LYS A 12 -1.663 6.740 10.938 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.411 7.422 12.237 1.00 0.00 N ATOM 0 H LYS A 12 -7.830 7.300 11.247 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.045 9.133 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.857 6.698 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.530 6.223 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.738 8.080 9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.951 8.149 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.407 5.729 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.214 5.644 9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.012 5.870 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.406 7.412 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.394 7.613 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.936 8.319 12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.727 6.811 13.017 1.00 0.00 H new ATOM 154 N PHE A 13 -7.235 7.363 7.845 1.00 0.00 N ATOM 155 CA PHE A 13 -7.326 7.294 6.391 1.00 0.00 C ATOM 156 C PHE A 13 -8.761 7.523 5.925 1.00 0.00 C ATOM 157 O PHE A 13 -9.713 7.116 6.590 1.00 0.00 O ATOM 158 CB PHE A 13 -6.825 5.938 5.891 1.00 0.00 C ATOM 159 CG PHE A 13 -5.502 5.534 6.476 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.324 6.096 6.010 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.436 4.595 7.492 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.105 5.725 6.546 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.220 4.221 8.032 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.053 4.788 7.559 1.00 0.00 C ATOM 0 H PHE A 13 -7.854 6.719 8.337 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.697 8.081 5.974 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.566 5.175 6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.738 5.970 4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.359 6.831 5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.346 4.150 7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.194 6.168 6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.182 3.486 8.823 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.102 4.499 7.981 1.00 0.00 H new ATOM 174 N ALA A 14 -8.907 8.177 4.778 1.00 0.00 N ATOM 175 CA ALA A 14 -10.224 8.459 4.221 1.00 0.00 C ATOM 176 C ALA A 14 -10.627 7.400 3.200 1.00 0.00 C ATOM 177 O ALA A 14 -9.797 6.923 2.426 1.00 0.00 O ATOM 178 CB ALA A 14 -10.244 9.842 3.586 1.00 0.00 C ATOM 0 H ALA A 14 -8.129 8.522 4.216 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.948 8.435 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.234 10.039 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.009 10.592 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.503 9.886 2.788 1.00 0.00 H new ATOM 184 N ASP A 15 -11.905 7.037 3.205 1.00 0.00 N ATOM 185 CA ASP A 15 -12.418 6.034 2.279 1.00 0.00 C ATOM 186 C ASP A 15 -12.111 6.420 0.836 1.00 0.00 C ATOM 187 O ASP A 15 -12.719 7.336 0.285 1.00 0.00 O ATOM 188 CB ASP A 15 -13.926 5.862 2.465 1.00 0.00 C ATOM 189 CG ASP A 15 -14.649 7.189 2.593 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.697 7.731 3.717 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.166 7.684 1.570 1.00 0.00 O ATOM 0 H ASP A 15 -12.604 7.422 3.840 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.923 5.087 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.333 5.310 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.113 5.262 3.356 1.00 0.00 H new ATOM 196 N GLY A 16 -11.161 5.714 0.229 1.00 0.00 N ATOM 197 CA GLY A 16 -10.789 5.998 -1.145 1.00 0.00 C ATOM 198 C GLY A 16 -9.385 6.556 -1.261 1.00 0.00 C ATOM 199 O GLY A 16 -8.773 6.496 -2.327 1.00 0.00 O ATOM 0 H GLY A 16 -10.643 4.951 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.864 5.084 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.496 6.710 -1.570 1.00 0.00 H new ATOM 203 N GLU A 17 -8.873 7.102 -0.162 1.00 0.00 N ATOM 204 CA GLU A 17 -7.533 7.675 -0.148 1.00 0.00 C ATOM 205 C GLU A 17 -6.497 6.649 -0.598 1.00 0.00 C ATOM 206 O GLU A 17 -6.612 5.461 -0.296 1.00 0.00 O ATOM 207 CB GLU A 17 -7.187 8.184 1.253 1.00 0.00 C ATOM 208 CG GLU A 17 -6.162 9.306 1.257 1.00 0.00 C ATOM 209 CD GLU A 17 -5.660 9.633 2.650 1.00 0.00 C ATOM 210 OE1 GLU A 17 -6.361 10.370 3.375 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.567 9.152 3.015 1.00 0.00 O ATOM 0 H GLU A 17 -9.366 7.159 0.729 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.517 8.512 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.098 8.534 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.807 7.354 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.318 9.024 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.605 10.199 0.815 1.00 0.00 H new ATOM 218 N VAL A 18 -5.485 7.116 -1.322 1.00 0.00 N ATOM 219 CA VAL A 18 -4.429 6.240 -1.814 1.00 0.00 C ATOM 220 C VAL A 18 -3.225 6.252 -0.879 1.00 0.00 C ATOM 221 O VAL A 18 -2.429 7.191 -0.886 1.00 0.00 O ATOM 222 CB VAL A 18 -3.972 6.650 -3.227 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.834 5.758 -3.700 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.140 6.598 -4.200 1.00 0.00 C ATOM 0 H VAL A 18 -5.374 8.096 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.845 5.233 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.606 7.676 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.524 6.063 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.991 5.850 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.170 4.721 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.799 6.891 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.538 5.584 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.921 7.282 -3.868 1.00 0.00 H new ATOM 234 N VAL A 19 -3.097 5.203 -0.074 1.00 0.00 N ATOM 235 CA VAL A 19 -1.989 5.091 0.867 1.00 0.00 C ATOM 236 C VAL A 19 -1.257 3.764 0.700 1.00 0.00 C ATOM 237 O VAL A 19 -1.714 2.879 -0.023 1.00 0.00 O ATOM 238 CB VAL A 19 -2.474 5.217 2.324 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.096 6.585 2.563 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.462 4.108 2.654 1.00 0.00 C ATOM 0 H VAL A 19 -3.747 4.418 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.304 5.910 0.647 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.614 5.115 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.433 6.656 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.355 7.361 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.946 6.720 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.794 4.212 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.322 4.176 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.979 3.140 2.524 1.00 0.00 H new ATOM 250 N ARG A 20 -0.119 3.634 1.374 1.00 0.00 N ATOM 251 CA ARG A 20 0.678 2.415 1.299 1.00 0.00 C ATOM 252 C ARG A 20 0.382 1.499 2.484 1.00 0.00 C ATOM 253 O ARG A 20 0.123 1.966 3.592 1.00 0.00 O ATOM 254 CB ARG A 20 2.169 2.755 1.264 1.00 0.00 C ATOM 255 CG ARG A 20 2.540 3.751 0.177 1.00 0.00 C ATOM 256 CD ARG A 20 2.526 5.178 0.701 1.00 0.00 C ATOM 257 NE ARG A 20 2.850 6.148 -0.342 1.00 0.00 N ATOM 258 CZ ARG A 20 2.488 7.425 -0.297 1.00 0.00 C ATOM 259 NH1 ARG A 20 1.793 7.884 0.736 1.00 0.00 N ATOM 260 NH2 ARG A 20 2.820 8.246 -1.285 1.00 0.00 N ATOM 0 H ARG A 20 0.272 4.357 1.978 1.00 0.00 H new ATOM 0 HA ARG A 20 0.411 1.892 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.464 3.160 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.739 1.838 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.530 3.515 -0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.841 3.661 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.542 5.403 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.242 5.271 1.518 1.00 0.00 H new ATOM 0 HE ARG A 20 3.384 5.827 -1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.536 7.256 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.516 8.865 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.354 7.897 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.541 9.226 -1.249 1.00 0.00 H new ATOM 274 N GLY A 21 0.422 0.193 2.240 1.00 0.00 N ATOM 275 CA GLY A 21 0.156 -0.767 3.296 1.00 0.00 C ATOM 276 C GLY A 21 1.251 -1.808 3.422 1.00 0.00 C ATOM 277 O GLY A 21 1.555 -2.519 2.464 1.00 0.00 O ATOM 0 H GLY A 21 0.634 -0.218 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.049 -0.240 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.794 -1.265 3.100 1.00 0.00 H new ATOM 281 N ARG A 22 1.846 -1.898 4.607 1.00 0.00 N ATOM 282 CA ARG A 22 2.915 -2.857 4.854 1.00 0.00 C ATOM 283 C ARG A 22 2.426 -4.286 4.634 1.00 0.00 C ATOM 284 O ARG A 22 1.705 -4.840 5.463 1.00 0.00 O ATOM 285 CB ARG A 22 3.448 -2.704 6.280 1.00 0.00 C ATOM 286 CG ARG A 22 4.604 -3.636 6.602 1.00 0.00 C ATOM 287 CD ARG A 22 5.114 -3.423 8.019 1.00 0.00 C ATOM 288 NE ARG A 22 4.339 -4.177 8.999 1.00 0.00 N ATOM 289 CZ ARG A 22 4.637 -4.224 10.293 1.00 0.00 C ATOM 290 NH1 ARG A 22 5.687 -3.562 10.759 1.00 0.00 N ATOM 291 NH2 ARG A 22 3.883 -4.933 11.123 1.00 0.00 N ATOM 0 H ARG A 22 1.605 -1.318 5.411 1.00 0.00 H new ATOM 0 HA ARG A 22 3.720 -2.654 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.771 -1.674 6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.637 -2.889 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.283 -4.671 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.415 -3.469 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.160 -3.723 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.073 -2.362 8.263 1.00 0.00 H new ATOM 0 HE ARG A 22 3.524 -4.696 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.268 -3.015 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.914 -3.600 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.074 -5.443 10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.112 -4.969 12.116 1.00 0.00 H new ATOM 305 N TRP A 23 2.822 -4.874 3.511 1.00 0.00 N ATOM 306 CA TRP A 23 2.422 -6.238 3.181 1.00 0.00 C ATOM 307 C TRP A 23 2.500 -7.139 4.408 1.00 0.00 C ATOM 308 O TRP A 23 3.431 -7.059 5.209 1.00 0.00 O ATOM 309 CB TRP A 23 3.309 -6.795 2.066 1.00 0.00 C ATOM 310 CG TRP A 23 2.710 -7.976 1.365 1.00 0.00 C ATOM 311 CD1 TRP A 23 3.070 -9.286 1.512 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.647 -7.955 0.406 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.294 -10.080 0.702 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.413 -9.288 0.014 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.868 -6.941 -0.157 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.435 -9.629 -0.916 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.102 -7.281 -1.081 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.312 -8.616 -1.452 1.00 0.00 C ATOM 0 H TRP A 23 3.419 -4.429 2.814 1.00 0.00 H new ATOM 0 HA TRP A 23 1.388 -6.215 2.836 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.501 -6.008 1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.273 -7.082 2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.849 -9.645 2.168 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.363 -11.095 0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.021 -5.910 0.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.272 -10.657 -1.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.708 -6.505 -1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.079 -8.850 -2.176 1.00 0.00 H new ATOM 329 N PRO A 24 1.499 -8.019 4.561 1.00 0.00 N ATOM 330 CA PRO A 24 1.433 -8.954 5.689 1.00 0.00 C ATOM 331 C PRO A 24 2.503 -10.036 5.608 1.00 0.00 C ATOM 332 O PRO A 24 2.575 -10.917 6.465 1.00 0.00 O ATOM 333 CB PRO A 24 0.038 -9.570 5.556 1.00 0.00 C ATOM 334 CG PRO A 24 -0.297 -9.442 4.110 1.00 0.00 C ATOM 335 CD PRO A 24 0.356 -8.170 3.645 1.00 0.00 C ATOM 0 HA PRO A 24 1.605 -8.456 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.034 -10.613 5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.687 -9.046 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.072 -10.299 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.376 -9.404 3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.680 -8.241 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.325 -7.322 3.709 1.00 0.00 H new ATOM 343 N GLY A 25 3.335 -9.965 4.573 1.00 0.00 N ATOM 344 CA GLY A 25 4.391 -10.945 4.401 1.00 0.00 C ATOM 345 C GLY A 25 5.767 -10.311 4.345 1.00 0.00 C ATOM 346 O GLY A 25 6.753 -10.913 4.769 1.00 0.00 O ATOM 0 H GLY A 25 3.296 -9.246 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.357 -11.660 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.215 -11.506 3.483 1.00 0.00 H new ATOM 350 N SER A 26 5.834 -9.092 3.819 1.00 0.00 N ATOM 351 CA SER A 26 7.100 -8.378 3.703 1.00 0.00 C ATOM 352 C SER A 26 7.127 -7.166 4.630 1.00 0.00 C ATOM 353 O SER A 26 6.147 -6.873 5.315 1.00 0.00 O ATOM 354 CB SER A 26 7.329 -7.933 2.257 1.00 0.00 C ATOM 355 OG SER A 26 8.712 -7.788 1.982 1.00 0.00 O ATOM 0 H SER A 26 5.026 -8.578 3.466 1.00 0.00 H new ATOM 0 HA SER A 26 7.900 -9.057 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.894 -8.663 1.575 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.818 -6.987 2.079 1.00 0.00 H new ATOM 0 HG SER A 26 8.833 -7.505 1.052 1.00 0.00 H new ATOM 361 N SER A 27 8.257 -6.466 4.646 1.00 0.00 N ATOM 362 CA SER A 27 8.414 -5.288 5.491 1.00 0.00 C ATOM 363 C SER A 27 8.491 -4.020 4.647 1.00 0.00 C ATOM 364 O SER A 27 9.034 -3.003 5.081 1.00 0.00 O ATOM 365 CB SER A 27 9.671 -5.418 6.354 1.00 0.00 C ATOM 366 OG SER A 27 10.836 -5.114 5.606 1.00 0.00 O ATOM 0 H SER A 27 9.077 -6.694 4.084 1.00 0.00 H new ATOM 0 HA SER A 27 7.541 -5.218 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.599 -4.747 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.742 -6.432 6.748 1.00 0.00 H new ATOM 0 HG SER A 27 11.626 -5.203 6.180 1.00 0.00 H new ATOM 372 N LEU A 28 7.944 -4.088 3.438 1.00 0.00 N ATOM 373 CA LEU A 28 7.950 -2.946 2.531 1.00 0.00 C ATOM 374 C LEU A 28 6.530 -2.460 2.258 1.00 0.00 C ATOM 375 O LEU A 28 5.605 -3.260 2.118 1.00 0.00 O ATOM 376 CB LEU A 28 8.635 -3.318 1.215 1.00 0.00 C ATOM 377 CG LEU A 28 10.037 -3.918 1.334 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.424 -4.630 0.048 1.00 0.00 C ATOM 379 CD2 LEU A 28 11.052 -2.837 1.674 1.00 0.00 C ATOM 0 H LEU A 28 7.491 -4.922 3.064 1.00 0.00 H new ATOM 0 HA LEU A 28 8.506 -2.138 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.001 -4.030 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.696 -2.424 0.595 1.00 0.00 H new ATOM 0 HG LEU A 28 10.031 -4.650 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.424 -5.050 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.713 -5.431 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.413 -3.920 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.044 -3.282 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.056 -2.082 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.784 -2.372 2.623 1.00 0.00 H new ATOM 391 N TYR A 29 6.365 -1.144 2.183 1.00 0.00 N ATOM 392 CA TYR A 29 5.058 -0.551 1.927 1.00 0.00 C ATOM 393 C TYR A 29 4.820 -0.382 0.430 1.00 0.00 C ATOM 394 O TYR A 29 5.689 0.099 -0.298 1.00 0.00 O ATOM 395 CB TYR A 29 4.942 0.803 2.630 1.00 0.00 C ATOM 396 CG TYR A 29 5.258 0.747 4.107 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.567 0.618 4.554 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.246 0.825 5.057 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.860 0.566 5.903 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.530 0.775 6.408 1.00 0.00 C ATOM 401 CZ TYR A 29 5.838 0.645 6.826 1.00 0.00 C ATOM 402 OH TYR A 29 6.126 0.595 8.171 1.00 0.00 O ATOM 0 H TYR A 29 7.120 -0.468 2.296 1.00 0.00 H new ATOM 0 HA TYR A 29 4.298 -1.224 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.617 1.512 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.930 1.186 2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.370 0.557 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.221 0.926 4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.883 0.464 6.233 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.732 0.837 7.133 1.00 0.00 H new ATOM 0 HH TYR A 29 5.295 0.664 8.686 1.00 0.00 H new ATOM 412 N TYR A 30 3.636 -0.779 -0.023 1.00 0.00 N ATOM 413 CA TYR A 30 3.283 -0.674 -1.434 1.00 0.00 C ATOM 414 C TYR A 30 2.045 0.197 -1.622 1.00 0.00 C ATOM 415 O TYR A 30 1.139 0.195 -0.789 1.00 0.00 O ATOM 416 CB TYR A 30 3.037 -2.063 -2.025 1.00 0.00 C ATOM 417 CG TYR A 30 4.200 -3.012 -1.845 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.362 -2.867 -2.592 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.136 -4.055 -0.929 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.427 -3.732 -2.432 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.197 -4.924 -0.761 1.00 0.00 C ATOM 422 CZ TYR A 30 6.340 -4.759 -1.515 1.00 0.00 C ATOM 423 OH TYR A 30 7.398 -5.623 -1.352 1.00 0.00 O ATOM 0 H TYR A 30 2.904 -1.176 0.566 1.00 0.00 H new ATOM 0 HA TYR A 30 4.117 -0.207 -1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.151 -2.495 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.822 -1.963 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.434 -2.064 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.242 -4.189 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.323 -3.605 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.132 -5.728 -0.043 1.00 0.00 H new ATOM 0 HH TYR A 30 7.175 -6.288 -0.667 1.00 0.00 H new ATOM 433 N GLU A 31 2.014 0.941 -2.723 1.00 0.00 N ATOM 434 CA GLU A 31 0.888 1.818 -3.021 1.00 0.00 C ATOM 435 C GLU A 31 -0.420 1.033 -3.048 1.00 0.00 C ATOM 436 O GLU A 31 -0.583 0.103 -3.838 1.00 0.00 O ATOM 437 CB GLU A 31 1.101 2.522 -4.363 1.00 0.00 C ATOM 438 CG GLU A 31 0.243 3.762 -4.543 1.00 0.00 C ATOM 439 CD GLU A 31 0.755 4.671 -5.643 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.867 4.203 -6.795 1.00 0.00 O ATOM 441 OE2 GLU A 31 1.044 5.851 -5.352 1.00 0.00 O ATOM 0 H GLU A 31 2.756 0.954 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 31 0.826 2.568 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.151 2.801 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.885 1.821 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.780 3.462 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.210 4.316 -3.605 1.00 0.00 H new ATOM 448 N VAL A 32 -1.351 1.414 -2.179 1.00 0.00 N ATOM 449 CA VAL A 32 -2.645 0.748 -2.103 1.00 0.00 C ATOM 450 C VAL A 32 -3.767 1.751 -1.863 1.00 0.00 C ATOM 451 O VAL A 32 -3.516 2.928 -1.604 1.00 0.00 O ATOM 452 CB VAL A 32 -2.668 -0.308 -0.981 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.841 -1.523 -1.374 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.164 0.291 0.324 1.00 0.00 C ATOM 0 H VAL A 32 -1.233 2.181 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.802 0.254 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.698 -0.632 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.869 -2.258 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.251 -1.964 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.809 -1.219 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.187 -0.468 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.141 0.644 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.802 1.127 0.611 1.00 0.00 H new ATOM 464 N GLU A 33 -5.006 1.278 -1.952 1.00 0.00 N ATOM 465 CA GLU A 33 -6.168 2.135 -1.746 1.00 0.00 C ATOM 466 C GLU A 33 -6.958 1.694 -0.517 1.00 0.00 C ATOM 467 O GLU A 33 -6.922 0.526 -0.129 1.00 0.00 O ATOM 468 CB GLU A 33 -7.071 2.115 -2.981 1.00 0.00 C ATOM 469 CG GLU A 33 -8.511 2.499 -2.688 1.00 0.00 C ATOM 470 CD GLU A 33 -9.322 2.728 -3.949 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.761 3.270 -4.924 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.517 2.366 -3.960 1.00 0.00 O ATOM 0 H GLU A 33 -5.231 0.306 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.812 3.152 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.666 2.798 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.052 1.117 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.980 1.712 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.525 3.405 -2.082 1.00 0.00 H new ATOM 479 N ILE A 34 -7.670 2.637 0.091 1.00 0.00 N ATOM 480 CA ILE A 34 -8.469 2.346 1.275 1.00 0.00 C ATOM 481 C ILE A 34 -9.910 2.021 0.899 1.00 0.00 C ATOM 482 O ILE A 34 -10.643 2.879 0.405 1.00 0.00 O ATOM 483 CB ILE A 34 -8.462 3.528 2.263 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.030 3.848 2.699 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.332 3.213 3.471 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.423 2.793 3.597 1.00 0.00 C ATOM 0 H ILE A 34 -7.710 3.609 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.017 1.478 1.756 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.873 4.404 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.406 3.962 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.023 4.805 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.317 4.057 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.356 3.029 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.947 2.326 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.408 3.085 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.025 2.694 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.398 1.838 3.072 1.00 0.00 H new ATOM 498 N LEU A 35 -10.312 0.778 1.137 1.00 0.00 N ATOM 499 CA LEU A 35 -11.668 0.338 0.826 1.00 0.00 C ATOM 500 C LEU A 35 -12.595 0.546 2.019 1.00 0.00 C ATOM 501 O LEU A 35 -13.667 1.137 1.889 1.00 0.00 O ATOM 502 CB LEU A 35 -11.666 -1.136 0.417 1.00 0.00 C ATOM 503 CG LEU A 35 -10.745 -1.509 -0.745 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.837 -2.998 -1.042 1.00 0.00 C ATOM 505 CD2 LEU A 35 -11.091 -0.694 -1.983 1.00 0.00 C ATOM 0 H LEU A 35 -9.718 0.056 1.545 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.037 0.938 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.383 -1.733 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.685 -1.420 0.153 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.719 -1.279 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.175 -3.245 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.540 -3.564 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.863 -3.253 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.425 -0.973 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.123 -0.892 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.973 0.367 -1.765 1.00 0.00 H new ATOM 517 N SER A 36 -12.174 0.058 3.181 1.00 0.00 N ATOM 518 CA SER A 36 -12.968 0.188 4.397 1.00 0.00 C ATOM 519 C SER A 36 -12.104 -0.029 5.636 1.00 0.00 C ATOM 520 O SER A 36 -10.906 -0.296 5.532 1.00 0.00 O ATOM 521 CB SER A 36 -14.125 -0.813 4.387 1.00 0.00 C ATOM 522 OG SER A 36 -15.101 -0.454 3.424 1.00 0.00 O ATOM 0 H SER A 36 -11.288 -0.431 3.306 1.00 0.00 H new ATOM 0 HA SER A 36 -13.373 1.199 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.745 -1.811 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.583 -0.855 5.375 1.00 0.00 H new ATOM 0 HG SER A 36 -14.842 0.387 2.994 1.00 0.00 H new ATOM 528 N HIS A 37 -12.720 0.087 6.808 1.00 0.00 N ATOM 529 CA HIS A 37 -12.008 -0.097 8.067 1.00 0.00 C ATOM 530 C HIS A 37 -12.793 -1.008 9.007 1.00 0.00 C ATOM 531 O HIS A 37 -13.955 -0.744 9.316 1.00 0.00 O ATOM 532 CB HIS A 37 -11.759 1.254 8.739 1.00 0.00 C ATOM 533 CG HIS A 37 -11.641 1.169 10.230 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.594 0.538 10.867 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.447 1.641 11.210 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.761 0.625 12.175 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.878 1.290 12.409 1.00 0.00 N ATOM 0 H HIS A 37 -13.710 0.308 6.912 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.050 -0.568 7.848 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.845 1.689 8.335 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.574 1.932 8.485 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.813 0.076 10.402 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.366 2.191 11.074 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.097 0.221 12.925 1.00 0.00 H new ATOM 546 N ASP A 38 -12.151 -2.081 9.456 1.00 0.00 N ATOM 547 CA ASP A 38 -12.789 -3.031 10.360 1.00 0.00 C ATOM 548 C ASP A 38 -12.506 -2.671 11.815 1.00 0.00 C ATOM 549 O ASP A 38 -11.595 -3.220 12.435 1.00 0.00 O ATOM 550 CB ASP A 38 -12.300 -4.451 10.069 1.00 0.00 C ATOM 551 CG ASP A 38 -13.326 -5.504 10.441 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.821 -5.471 11.587 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.634 -6.360 9.585 1.00 0.00 O ATOM 0 H ASP A 38 -11.189 -2.315 9.209 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.866 -2.984 10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.060 -4.540 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.378 -4.635 10.621 1.00 0.00 H new ATOM 558 N SER A 39 -13.291 -1.744 12.353 1.00 0.00 N ATOM 559 CA SER A 39 -13.122 -1.306 13.734 1.00 0.00 C ATOM 560 C SER A 39 -13.067 -2.501 14.680 1.00 0.00 C ATOM 561 O SER A 39 -12.314 -2.504 15.654 1.00 0.00 O ATOM 562 CB SER A 39 -14.265 -0.373 14.138 1.00 0.00 C ATOM 563 OG SER A 39 -14.113 0.070 15.476 1.00 0.00 O ATOM 0 H SER A 39 -14.051 -1.281 11.854 1.00 0.00 H new ATOM 0 HA SER A 39 -12.178 -0.765 13.805 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.291 0.486 13.468 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.218 -0.891 14.029 1.00 0.00 H new ATOM 0 HG SER A 39 -14.855 0.666 15.710 1.00 0.00 H new ATOM 569 N THR A 40 -13.871 -3.519 14.385 1.00 0.00 N ATOM 570 CA THR A 40 -13.916 -4.720 15.209 1.00 0.00 C ATOM 571 C THR A 40 -12.514 -5.248 15.489 1.00 0.00 C ATOM 572 O THR A 40 -12.139 -5.459 16.642 1.00 0.00 O ATOM 573 CB THR A 40 -14.746 -5.831 14.537 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.941 -5.278 13.974 1.00 0.00 O ATOM 575 CG2 THR A 40 -15.106 -6.918 15.538 1.00 0.00 C ATOM 0 H THR A 40 -14.499 -3.535 13.582 1.00 0.00 H new ATOM 0 HA THR A 40 -14.390 -4.440 16.150 1.00 0.00 H new ATOM 0 HB THR A 40 -14.144 -6.275 13.744 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.462 -5.990 13.548 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.692 -7.691 15.041 1.00 0.00 H new ATOM 0 HG22 THR A 40 -14.194 -7.357 15.942 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.691 -6.486 16.350 1.00 0.00 H new ATOM 583 N SER A 41 -11.742 -5.458 14.427 1.00 0.00 N ATOM 584 CA SER A 41 -10.381 -5.964 14.559 1.00 0.00 C ATOM 585 C SER A 41 -9.365 -4.903 14.145 1.00 0.00 C ATOM 586 O SER A 41 -8.201 -5.211 13.890 1.00 0.00 O ATOM 587 CB SER A 41 -10.198 -7.221 13.707 1.00 0.00 C ATOM 588 OG SER A 41 -11.055 -8.262 14.143 1.00 0.00 O ATOM 0 H SER A 41 -12.036 -5.285 13.466 1.00 0.00 H new ATOM 0 HA SER A 41 -10.212 -6.215 15.606 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.405 -6.989 12.662 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.161 -7.553 13.761 1.00 0.00 H new ATOM 0 HG SER A 41 -10.920 -9.054 13.581 1.00 0.00 H new ATOM 594 N GLN A 42 -9.815 -3.654 14.083 1.00 0.00 N ATOM 595 CA GLN A 42 -8.946 -2.548 13.700 1.00 0.00 C ATOM 596 C GLN A 42 -8.129 -2.901 12.461 1.00 0.00 C ATOM 597 O GLN A 42 -7.001 -2.434 12.294 1.00 0.00 O ATOM 598 CB GLN A 42 -8.011 -2.183 14.855 1.00 0.00 C ATOM 599 CG GLN A 42 -8.679 -1.357 15.941 1.00 0.00 C ATOM 600 CD GLN A 42 -8.798 0.108 15.570 1.00 0.00 C ATOM 601 OE1 GLN A 42 -8.116 0.588 14.665 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.668 0.828 16.269 1.00 0.00 N ATOM 0 H GLN A 42 -10.776 -3.383 14.293 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.575 -1.689 13.465 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.618 -3.099 15.297 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.159 -1.629 14.461 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.672 -1.760 16.139 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.108 -1.449 16.865 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.213 0.389 17.011 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.791 1.820 16.064 1.00 0.00 H new ATOM 611 N LEU A 43 -8.705 -3.727 11.595 1.00 0.00 N ATOM 612 CA LEU A 43 -8.031 -4.143 10.370 1.00 0.00 C ATOM 613 C LEU A 43 -8.567 -3.376 9.166 1.00 0.00 C ATOM 614 O LEU A 43 -9.758 -3.436 8.858 1.00 0.00 O ATOM 615 CB LEU A 43 -8.209 -5.646 10.152 1.00 0.00 C ATOM 616 CG LEU A 43 -7.349 -6.558 11.029 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.769 -8.010 10.861 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.875 -6.385 10.694 1.00 0.00 C ATOM 0 H LEU A 43 -9.637 -4.122 11.718 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.969 -3.921 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.257 -5.896 10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.992 -5.870 9.107 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.499 -6.276 12.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.147 -8.644 11.492 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.814 -8.123 11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.648 -8.305 9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.278 -7.041 11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.707 -6.640 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.582 -5.349 10.867 1.00 0.00 H new ATOM 630 N TYR A 44 -7.680 -2.657 8.486 1.00 0.00 N ATOM 631 CA TYR A 44 -8.064 -1.877 7.315 1.00 0.00 C ATOM 632 C TYR A 44 -7.972 -2.719 6.047 1.00 0.00 C ATOM 633 O TYR A 44 -6.956 -3.365 5.787 1.00 0.00 O ATOM 634 CB TYR A 44 -7.174 -0.640 7.186 1.00 0.00 C ATOM 635 CG TYR A 44 -7.518 0.458 8.166 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.422 0.248 9.537 1.00 0.00 C ATOM 637 CD2 TYR A 44 -7.940 1.706 7.723 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.735 1.249 10.436 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.254 2.712 8.616 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.150 2.479 9.971 1.00 0.00 C ATOM 641 OH TYR A 44 -8.464 3.478 10.863 1.00 0.00 O ATOM 0 H TYR A 44 -6.690 -2.598 8.726 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.099 -1.559 7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.135 -0.934 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.255 -0.249 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.097 -0.714 9.905 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.024 1.892 6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.655 1.069 11.498 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.579 3.676 8.255 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.994 4.301 10.612 1.00 0.00 H new ATOM 651 N THR A 45 -9.042 -2.708 5.257 1.00 0.00 N ATOM 652 CA THR A 45 -9.083 -3.469 4.015 1.00 0.00 C ATOM 653 C THR A 45 -8.628 -2.620 2.834 1.00 0.00 C ATOM 654 O THR A 45 -9.351 -1.733 2.379 1.00 0.00 O ATOM 655 CB THR A 45 -10.499 -4.005 3.732 1.00 0.00 C ATOM 656 OG1 THR A 45 -10.964 -4.775 4.847 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.512 -4.864 2.477 1.00 0.00 C ATOM 0 H THR A 45 -9.892 -2.180 5.456 1.00 0.00 H new ATOM 0 HA THR A 45 -8.401 -4.311 4.137 1.00 0.00 H new ATOM 0 HB THR A 45 -11.161 -3.153 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.865 -5.111 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.523 -5.231 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.186 -4.268 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.837 -5.710 2.608 1.00 0.00 H new ATOM 665 N VAL A 46 -7.426 -2.898 2.339 1.00 0.00 N ATOM 666 CA VAL A 46 -6.875 -2.161 1.209 1.00 0.00 C ATOM 667 C VAL A 46 -6.836 -3.027 -0.046 1.00 0.00 C ATOM 668 O VAL A 46 -6.874 -4.255 0.033 1.00 0.00 O ATOM 669 CB VAL A 46 -5.454 -1.649 1.511 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.478 -0.652 2.659 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.525 -2.813 1.823 1.00 0.00 C ATOM 0 H VAL A 46 -6.815 -3.629 2.704 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.531 -1.308 1.038 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.074 -1.137 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.465 -0.302 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.109 0.195 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.877 -1.134 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.525 -2.434 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.899 -3.354 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.485 -3.486 0.967 1.00 0.00 H new ATOM 681 N LYS A 47 -6.759 -2.379 -1.203 1.00 0.00 N ATOM 682 CA LYS A 47 -6.712 -3.088 -2.476 1.00 0.00 C ATOM 683 C LYS A 47 -5.478 -2.688 -3.277 1.00 0.00 C ATOM 684 O LYS A 47 -5.164 -1.504 -3.402 1.00 0.00 O ATOM 685 CB LYS A 47 -7.976 -2.801 -3.290 1.00 0.00 C ATOM 686 CG LYS A 47 -8.244 -3.825 -4.379 1.00 0.00 C ATOM 687 CD LYS A 47 -9.397 -3.400 -5.273 1.00 0.00 C ATOM 688 CE LYS A 47 -8.916 -2.544 -6.435 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.047 -2.060 -7.273 1.00 0.00 N ATOM 0 H LYS A 47 -6.728 -1.363 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.656 -4.156 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.832 -2.767 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.889 -1.814 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.346 -3.960 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.471 -4.789 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.906 -4.284 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.127 -2.842 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.358 -1.690 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.229 -3.123 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.678 -1.481 -8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.565 -2.874 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.690 -1.486 -6.691 1.00 0.00 H new ATOM 703 N TYR A 48 -4.782 -3.681 -3.819 1.00 0.00 N ATOM 704 CA TYR A 48 -3.581 -3.432 -4.607 1.00 0.00 C ATOM 705 C TYR A 48 -3.903 -3.409 -6.098 1.00 0.00 C ATOM 706 O TYR A 48 -4.843 -4.061 -6.553 1.00 0.00 O ATOM 707 CB TYR A 48 -2.525 -4.501 -4.319 1.00 0.00 C ATOM 708 CG TYR A 48 -2.052 -4.513 -2.883 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.826 -5.087 -1.881 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.833 -3.950 -2.527 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.398 -5.100 -0.567 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.397 -3.960 -1.217 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.183 -4.535 -0.240 1.00 0.00 C ATOM 714 OH TYR A 48 -0.752 -4.546 1.067 1.00 0.00 O ATOM 0 H TYR A 48 -5.029 -4.666 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.187 -2.456 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.935 -5.480 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.669 -4.339 -4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.778 -5.530 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.216 -3.497 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.011 -5.550 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.555 -3.520 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.380 -5.427 1.281 1.00 0.00 H new ATOM 724 N LYS A 49 -3.115 -2.652 -6.855 1.00 0.00 N ATOM 725 CA LYS A 49 -3.313 -2.543 -8.295 1.00 0.00 C ATOM 726 C LYS A 49 -3.703 -3.891 -8.895 1.00 0.00 C ATOM 727 O LYS A 49 -4.792 -4.043 -9.448 1.00 0.00 O ATOM 728 CB LYS A 49 -2.040 -2.023 -8.968 1.00 0.00 C ATOM 729 CG LYS A 49 -2.296 -1.308 -10.283 1.00 0.00 C ATOM 730 CD LYS A 49 -1.139 -0.396 -10.656 1.00 0.00 C ATOM 731 CE LYS A 49 -0.045 -1.155 -11.390 1.00 0.00 C ATOM 732 NZ LYS A 49 -0.340 -1.285 -12.844 1.00 0.00 N ATOM 0 H LYS A 49 -2.333 -2.105 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.125 -1.838 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.531 -1.341 -8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.365 -2.860 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.451 -2.042 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.212 -0.723 -10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.503 0.417 -11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.727 0.057 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.906 -0.640 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.066 -2.147 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.429 -1.808 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.235 -1.799 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.420 -0.339 -13.268 1.00 0.00 H new ATOM 746 N ASP A 50 -2.808 -4.865 -8.780 1.00 0.00 N ATOM 747 CA ASP A 50 -3.060 -6.201 -9.308 1.00 0.00 C ATOM 748 C ASP A 50 -4.504 -6.622 -9.056 1.00 0.00 C ATOM 749 O ASP A 50 -5.119 -7.294 -9.883 1.00 0.00 O ATOM 750 CB ASP A 50 -2.103 -7.212 -8.674 1.00 0.00 C ATOM 751 CG ASP A 50 -0.686 -7.074 -9.194 1.00 0.00 C ATOM 752 OD1 ASP A 50 -0.470 -7.323 -10.399 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.207 -6.718 -8.398 1.00 0.00 O ATOM 0 H ASP A 50 -1.901 -4.755 -8.326 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.890 -6.177 -10.384 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.104 -7.080 -7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.463 -8.222 -8.872 1.00 0.00 H new ATOM 758 N GLY A 51 -5.040 -6.221 -7.907 1.00 0.00 N ATOM 759 CA GLY A 51 -6.408 -6.567 -7.566 1.00 0.00 C ATOM 760 C GLY A 51 -6.489 -7.518 -6.388 1.00 0.00 C ATOM 761 O GLY A 51 -7.251 -8.485 -6.412 1.00 0.00 O ATOM 0 H GLY A 51 -4.552 -5.663 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.962 -5.658 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.891 -7.023 -8.431 1.00 0.00 H new ATOM 765 N THR A 52 -5.700 -7.245 -5.353 1.00 0.00 N ATOM 766 CA THR A 52 -5.684 -8.084 -4.162 1.00 0.00 C ATOM 767 C THR A 52 -6.152 -7.309 -2.936 1.00 0.00 C ATOM 768 O THR A 52 -5.854 -6.124 -2.790 1.00 0.00 O ATOM 769 CB THR A 52 -4.277 -8.649 -3.893 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.801 -9.351 -5.046 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.290 -9.585 -2.693 1.00 0.00 C ATOM 0 H THR A 52 -5.064 -6.449 -5.316 1.00 0.00 H new ATOM 0 HA THR A 52 -6.370 -8.910 -4.348 1.00 0.00 H new ATOM 0 HB THR A 52 -3.610 -7.814 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.905 -9.705 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.285 -9.972 -2.522 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.624 -9.040 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.970 -10.415 -2.886 1.00 0.00 H new ATOM 779 N GLU A 53 -6.885 -7.985 -2.058 1.00 0.00 N ATOM 780 CA GLU A 53 -7.393 -7.357 -0.844 1.00 0.00 C ATOM 781 C GLU A 53 -6.830 -8.041 0.399 1.00 0.00 C ATOM 782 O GLU A 53 -6.844 -9.268 0.507 1.00 0.00 O ATOM 783 CB GLU A 53 -8.922 -7.408 -0.818 1.00 0.00 C ATOM 784 CG GLU A 53 -9.574 -6.675 -1.979 1.00 0.00 C ATOM 785 CD GLU A 53 -10.915 -7.270 -2.365 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.941 -6.835 -1.802 1.00 0.00 O ATOM 787 OE2 GLU A 53 -10.936 -8.170 -3.231 1.00 0.00 O ATOM 0 H GLU A 53 -7.140 -8.967 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.071 -6.316 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.243 -8.450 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.276 -6.976 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.709 -5.627 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.907 -6.701 -2.841 1.00 0.00 H new ATOM 794 N LEU A 54 -6.335 -7.239 1.335 1.00 0.00 N ATOM 795 CA LEU A 54 -5.766 -7.765 2.571 1.00 0.00 C ATOM 796 C LEU A 54 -6.187 -6.919 3.768 1.00 0.00 C ATOM 797 O LEU A 54 -6.795 -5.861 3.608 1.00 0.00 O ATOM 798 CB LEU A 54 -4.240 -7.811 2.475 1.00 0.00 C ATOM 799 CG LEU A 54 -3.666 -8.565 1.275 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.188 -8.250 1.105 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.878 -10.063 1.436 1.00 0.00 C ATOM 0 H LEU A 54 -6.316 -6.222 1.262 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.145 -8.777 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.867 -6.787 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.852 -8.268 3.385 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.192 -8.238 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.796 -8.795 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.060 -7.180 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.647 -8.549 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.463 -10.584 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.378 -10.406 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.945 -10.274 1.509 1.00 0.00 H new ATOM 813 N GLU A 55 -5.857 -7.391 4.966 1.00 0.00 N ATOM 814 CA GLU A 55 -6.200 -6.675 6.190 1.00 0.00 C ATOM 815 C GLU A 55 -4.946 -6.146 6.880 1.00 0.00 C ATOM 816 O GLU A 55 -4.158 -6.913 7.434 1.00 0.00 O ATOM 817 CB GLU A 55 -6.972 -7.590 7.143 1.00 0.00 C ATOM 818 CG GLU A 55 -8.473 -7.586 6.908 1.00 0.00 C ATOM 819 CD GLU A 55 -9.187 -8.681 7.676 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.747 -9.847 7.595 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.186 -8.371 8.359 1.00 0.00 O ATOM 0 H GLU A 55 -5.353 -8.265 5.115 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.831 -5.828 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.599 -8.609 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.773 -7.283 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.880 -6.618 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.670 -7.707 5.843 1.00 0.00 H new ATOM 828 N LEU A 56 -4.767 -4.830 6.841 1.00 0.00 N ATOM 829 CA LEU A 56 -3.609 -4.196 7.462 1.00 0.00 C ATOM 830 C LEU A 56 -4.035 -3.299 8.620 1.00 0.00 C ATOM 831 O LEU A 56 -4.972 -2.511 8.496 1.00 0.00 O ATOM 832 CB LEU A 56 -2.834 -3.379 6.427 1.00 0.00 C ATOM 833 CG LEU A 56 -2.486 -4.102 5.125 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.848 -3.140 4.134 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.561 -5.279 5.399 1.00 0.00 C ATOM 0 H LEU A 56 -5.409 -4.181 6.386 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.962 -4.981 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.419 -2.492 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.908 -3.033 6.886 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.408 -4.484 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.607 -3.672 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.544 -2.330 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.935 -2.727 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.324 -5.782 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.641 -4.919 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.054 -5.980 6.072 1.00 0.00 H new ATOM 847 N LYS A 57 -3.339 -3.424 9.744 1.00 0.00 N ATOM 848 CA LYS A 57 -3.641 -2.622 10.924 1.00 0.00 C ATOM 849 C LYS A 57 -3.385 -1.143 10.657 1.00 0.00 C ATOM 850 O LYS A 57 -2.655 -0.787 9.733 1.00 0.00 O ATOM 851 CB LYS A 57 -2.798 -3.090 12.113 1.00 0.00 C ATOM 852 CG LYS A 57 -3.230 -4.434 12.673 1.00 0.00 C ATOM 853 CD LYS A 57 -2.853 -4.575 14.139 1.00 0.00 C ATOM 854 CE LYS A 57 -3.769 -3.752 15.031 1.00 0.00 C ATOM 855 NZ LYS A 57 -4.976 -4.519 15.446 1.00 0.00 N ATOM 0 H LYS A 57 -2.561 -4.073 9.863 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.697 -2.753 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.754 -3.153 11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.853 -2.342 12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.308 -4.546 12.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.765 -5.235 12.098 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.906 -5.624 14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.821 -4.256 14.283 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.221 -3.431 15.917 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.076 -2.850 14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.574 -3.923 16.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.513 -4.804 14.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.684 -5.367 15.973 1.00 0.00 H new ATOM 869 N GLU A 58 -3.990 -0.285 11.474 1.00 0.00 N ATOM 870 CA GLU A 58 -3.825 1.156 11.325 1.00 0.00 C ATOM 871 C GLU A 58 -2.348 1.537 11.311 1.00 0.00 C ATOM 872 O GLU A 58 -1.954 2.515 10.678 1.00 0.00 O ATOM 873 CB GLU A 58 -4.543 1.893 12.457 1.00 0.00 C ATOM 874 CG GLU A 58 -4.951 3.312 12.097 1.00 0.00 C ATOM 875 CD GLU A 58 -5.665 4.020 13.233 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.584 3.414 13.823 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.305 5.178 13.530 1.00 0.00 O ATOM 0 H GLU A 58 -4.598 -0.563 12.245 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.266 1.450 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.432 1.329 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.892 1.922 13.331 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.064 3.882 11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.601 3.288 11.223 1.00 0.00 H new ATOM 884 N ASN A 59 -1.535 0.756 12.017 1.00 0.00 N ATOM 885 CA ASN A 59 -0.101 1.012 12.088 1.00 0.00 C ATOM 886 C ASN A 59 0.603 0.511 10.830 1.00 0.00 C ATOM 887 O ASN A 59 1.465 1.194 10.276 1.00 0.00 O ATOM 888 CB ASN A 59 0.498 0.338 13.324 1.00 0.00 C ATOM 889 CG ASN A 59 1.870 0.882 13.672 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.795 0.829 12.861 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.007 1.409 14.883 1.00 0.00 N ATOM 0 H ASN A 59 -1.845 -0.058 12.547 1.00 0.00 H new ATOM 0 HA ASN A 59 0.048 2.089 12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.172 0.480 14.172 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.569 -0.736 13.150 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.907 1.791 15.174 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.212 1.432 15.522 1.00 0.00 H new ATOM 898 N ASP A 60 0.230 -0.684 10.386 1.00 0.00 N ATOM 899 CA ASP A 60 0.825 -1.276 9.193 1.00 0.00 C ATOM 900 C ASP A 60 0.676 -0.346 7.993 1.00 0.00 C ATOM 901 O ASP A 60 1.435 -0.436 7.028 1.00 0.00 O ATOM 902 CB ASP A 60 0.175 -2.627 8.891 1.00 0.00 C ATOM 903 CG ASP A 60 0.620 -3.712 9.852 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.603 -3.486 10.589 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.016 -4.786 9.868 1.00 0.00 O ATOM 0 H ASP A 60 -0.481 -1.262 10.834 1.00 0.00 H new ATOM 0 HA ASP A 60 1.888 -1.427 9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.909 -2.524 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.421 -2.925 7.872 1.00 0.00 H new ATOM 910 N ILE A 61 -0.306 0.547 8.061 1.00 0.00 N ATOM 911 CA ILE A 61 -0.553 1.493 6.980 1.00 0.00 C ATOM 912 C ILE A 61 0.141 2.824 7.246 1.00 0.00 C ATOM 913 O ILE A 61 0.215 3.283 8.386 1.00 0.00 O ATOM 914 CB ILE A 61 -2.060 1.743 6.785 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.810 0.413 6.673 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.300 2.598 5.549 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.301 0.539 6.895 1.00 0.00 C ATOM 0 H ILE A 61 -0.943 0.635 8.853 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.146 1.049 6.072 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.439 2.281 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.633 -0.013 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.401 -0.288 7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.370 2.766 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.793 3.556 5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.909 2.085 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.767 -0.442 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.488 0.935 7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.724 1.215 6.151 1.00 0.00 H new ATOM 929 N LYS A 62 0.648 3.443 6.184 1.00 0.00 N ATOM 930 CA LYS A 62 1.334 4.724 6.300 1.00 0.00 C ATOM 931 C LYS A 62 0.816 5.714 5.262 1.00 0.00 C ATOM 932 O LYS A 62 0.294 5.320 4.220 1.00 0.00 O ATOM 933 CB LYS A 62 2.843 4.535 6.131 1.00 0.00 C ATOM 934 CG LYS A 62 3.488 3.751 7.261 1.00 0.00 C ATOM 935 CD LYS A 62 5.002 3.724 7.128 1.00 0.00 C ATOM 936 CE LYS A 62 5.621 5.054 7.528 1.00 0.00 C ATOM 937 NZ LYS A 62 5.530 5.289 8.996 1.00 0.00 N ATOM 0 H LYS A 62 0.596 3.077 5.233 1.00 0.00 H new ATOM 0 HA LYS A 62 1.133 5.127 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.033 4.021 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.318 5.514 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.214 4.197 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.104 2.731 7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.409 2.929 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.274 3.490 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.667 5.075 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.117 5.863 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.184 6.051 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.558 5.563 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.784 4.418 9.503 1.00 0.00 H new ATOM 951 N SER A 63 0.965 7.003 5.554 1.00 0.00 N ATOM 952 CA SER A 63 0.510 8.050 4.647 1.00 0.00 C ATOM 953 C SER A 63 1.668 8.956 4.239 1.00 0.00 C ATOM 954 O SER A 63 2.575 9.216 5.028 1.00 0.00 O ATOM 955 CB SER A 63 -0.594 8.879 5.305 1.00 0.00 C ATOM 956 OG SER A 63 -0.086 9.637 6.389 1.00 0.00 O ATOM 0 H SER A 63 1.397 7.347 6.412 1.00 0.00 H new ATOM 0 HA SER A 63 0.112 7.573 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.040 9.547 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.387 8.219 5.658 1.00 0.00 H new ATOM 0 HG SER A 63 -0.811 10.159 6.791 1.00 0.00 H new ATOM 962 N GLY A 64 1.628 9.434 2.999 1.00 0.00 N ATOM 963 CA GLY A 64 2.678 10.305 2.506 1.00 0.00 C ATOM 964 C GLY A 64 2.240 11.754 2.426 1.00 0.00 C ATOM 965 O GLY A 64 1.069 12.082 2.620 1.00 0.00 O ATOM 0 H GLY A 64 0.887 9.233 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.547 10.227 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.991 9.968 1.518 1.00 0.00 H new ATOM 969 N PRO A 65 3.195 12.650 2.136 1.00 0.00 N ATOM 970 CA PRO A 65 2.925 14.087 2.026 1.00 0.00 C ATOM 971 C PRO A 65 2.093 14.428 0.794 1.00 0.00 C ATOM 972 O PRO A 65 2.289 13.855 -0.277 1.00 0.00 O ATOM 973 CB PRO A 65 4.322 14.703 1.915 1.00 0.00 C ATOM 974 CG PRO A 65 5.171 13.617 1.351 1.00 0.00 C ATOM 975 CD PRO A 65 4.611 12.330 1.892 1.00 0.00 C ATOM 0 HA PRO A 65 2.346 14.459 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.318 15.579 1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.690 15.028 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.144 13.627 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.213 13.743 1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.721 11.513 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.118 12.025 2.808 1.00 0.00 H new ATOM 983 N SER A 66 1.164 15.365 0.954 1.00 0.00 N ATOM 984 CA SER A 66 0.300 15.780 -0.145 1.00 0.00 C ATOM 985 C SER A 66 1.020 16.766 -1.060 1.00 0.00 C ATOM 986 O SER A 66 0.458 17.788 -1.454 1.00 0.00 O ATOM 987 CB SER A 66 -0.983 16.413 0.397 1.00 0.00 C ATOM 988 OG SER A 66 -1.861 16.769 -0.656 1.00 0.00 O ATOM 0 H SER A 66 0.990 15.851 1.834 1.00 0.00 H new ATOM 0 HA SER A 66 0.042 14.894 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.481 15.714 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.736 17.298 0.983 1.00 0.00 H new ATOM 0 HG SER A 66 -1.367 17.268 -1.339 1.00 0.00 H new ATOM 994 N SER A 67 2.267 16.452 -1.393 1.00 0.00 N ATOM 995 CA SER A 67 3.067 17.312 -2.258 1.00 0.00 C ATOM 996 C SER A 67 2.228 17.855 -3.410 1.00 0.00 C ATOM 997 O SER A 67 2.134 19.066 -3.607 1.00 0.00 O ATOM 998 CB SER A 67 4.270 16.542 -2.807 1.00 0.00 C ATOM 999 OG SER A 67 5.253 17.426 -3.315 1.00 0.00 O ATOM 0 H SER A 67 2.746 15.609 -1.077 1.00 0.00 H new ATOM 0 HA SER A 67 3.424 18.153 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.703 15.927 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.943 15.865 -3.596 1.00 0.00 H new ATOM 0 HG SER A 67 6.012 16.909 -3.658 1.00 0.00 H new ATOM 1005 N GLY A 68 1.618 16.949 -4.169 1.00 0.00 N ATOM 1006 CA GLY A 68 0.794 17.356 -5.292 1.00 0.00 C ATOM 1007 C GLY A 68 1.357 16.893 -6.622 1.00 0.00 C ATOM 1008 O GLY A 68 2.464 17.274 -7.001 1.00 0.00 O ATOM 0 H GLY A 68 1.680 15.941 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.211 16.953 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.703 18.442 -5.298 1.00 0.00 H new TER 1012 GLY A 68