USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 SER N :NH3+ -170:sc= 0 (180deg=-0.118) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 71:sc= 0.833 USER MOD Single : A 8 CYS SG : rot 86:sc= 0.439 USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.995 (180deg=0.912) USER MOD Single : A 17 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.337 USER MOD Single : A 48 SER OG : rot 73:sc= 0.267 USER MOD Single : A 50 THR OG1 : rot -20:sc= 0.784 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0744 K(o=-0.074,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.716 (180deg=-0.716) USER MOD Single : A 65 MET CE :methyl -166:sc= -0.014 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.051 0.398 5.235 1.00 0.00 N ATOM 2 CA SER A 1 -14.856 -0.097 4.562 1.00 0.00 C ATOM 3 C SER A 1 -13.630 0.722 4.941 1.00 0.00 C ATOM 4 O SER A 1 -12.544 0.177 5.140 1.00 0.00 O ATOM 5 CB SER A 1 -15.059 -0.080 3.059 1.00 0.00 C ATOM 6 OG SER A 1 -16.133 -0.886 2.664 1.00 0.00 O ATOM 0 H1 SER A 1 -16.832 -0.274 5.095 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.860 0.499 6.252 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.315 1.323 4.839 1.00 0.00 H new ATOM 0 HA SER A 1 -14.685 -1.124 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.234 0.944 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.149 -0.423 2.567 1.00 0.00 H new ATOM 0 HG SER A 1 -16.231 -0.846 1.690 1.00 0.00 H new ATOM 14 N GLU A 2 -13.809 2.035 5.040 1.00 0.00 N ATOM 15 CA GLU A 2 -12.704 2.940 5.334 1.00 0.00 C ATOM 16 C GLU A 2 -12.144 2.690 6.729 1.00 0.00 C ATOM 17 O GLU A 2 -10.957 2.904 6.979 1.00 0.00 O ATOM 18 CB GLU A 2 -13.155 4.396 5.202 1.00 0.00 C ATOM 19 CG GLU A 2 -13.421 4.844 3.772 1.00 0.00 C ATOM 20 CD GLU A 2 -13.947 6.252 3.730 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.154 6.820 4.775 1.00 0.00 O ATOM 22 OE2 GLU A 2 -14.034 6.801 2.656 1.00 0.00 O ATOM 0 H GLU A 2 -14.711 2.497 4.921 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.913 2.747 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.063 4.537 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.391 5.041 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.501 4.780 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.140 4.171 3.305 1.00 0.00 H new ATOM 29 N GLU A 3 -13.004 2.236 7.634 1.00 0.00 N ATOM 30 CA GLU A 3 -12.583 1.898 8.988 1.00 0.00 C ATOM 31 C GLU A 3 -11.624 0.715 8.989 1.00 0.00 C ATOM 32 O GLU A 3 -10.630 0.710 9.715 1.00 0.00 O ATOM 33 CB GLU A 3 -13.799 1.590 9.865 1.00 0.00 C ATOM 34 CG GLU A 3 -14.657 2.802 10.198 1.00 0.00 C ATOM 35 CD GLU A 3 -15.893 2.404 10.957 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.098 1.229 11.147 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.572 3.276 11.445 1.00 0.00 O ATOM 0 H GLU A 3 -13.998 2.094 7.454 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.059 2.761 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.418 0.850 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.456 1.137 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.076 3.510 10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.941 3.313 9.278 1.00 0.00 H new ATOM 44 N GLU A 4 -11.928 -0.287 8.170 1.00 0.00 N ATOM 45 CA GLU A 4 -11.056 -1.445 8.020 1.00 0.00 C ATOM 46 C GLU A 4 -9.775 -1.077 7.282 1.00 0.00 C ATOM 47 O GLU A 4 -8.709 -1.631 7.554 1.00 0.00 O ATOM 48 CB GLU A 4 -11.782 -2.572 7.282 1.00 0.00 C ATOM 49 CG GLU A 4 -12.906 -3.221 8.076 1.00 0.00 C ATOM 50 CD GLU A 4 -13.626 -4.257 7.259 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.287 -4.421 6.111 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.437 -4.962 7.811 1.00 0.00 O ATOM 0 H GLU A 4 -12.773 -0.320 7.600 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.788 -1.791 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.192 -2.176 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.056 -3.338 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.499 -3.683 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.612 -2.457 8.402 1.00 0.00 H new ATOM 59 N LEU A 5 -9.885 -0.140 6.346 1.00 0.00 N ATOM 60 CA LEU A 5 -8.727 0.340 5.603 1.00 0.00 C ATOM 61 C LEU A 5 -7.815 1.182 6.486 1.00 0.00 C ATOM 62 O LEU A 5 -6.601 1.216 6.287 1.00 0.00 O ATOM 63 CB LEU A 5 -9.180 1.148 4.380 1.00 0.00 C ATOM 64 CG LEU A 5 -9.880 0.336 3.283 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.433 1.269 2.214 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.897 -0.655 2.677 1.00 0.00 C ATOM 0 H LEU A 5 -10.766 0.302 6.084 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.159 -0.527 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.856 1.935 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.309 1.639 3.946 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.713 -0.217 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.928 0.683 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.151 1.954 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.616 1.839 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.395 -1.231 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.054 -0.114 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.536 -1.330 3.453 1.00 0.00 H new ATOM 78 N SER A 6 -8.408 1.861 7.462 1.00 0.00 N ATOM 79 CA SER A 6 -7.642 2.605 8.454 1.00 0.00 C ATOM 80 C SER A 6 -6.847 1.667 9.353 1.00 0.00 C ATOM 81 O SER A 6 -5.701 1.950 9.705 1.00 0.00 O ATOM 82 CB SER A 6 -8.565 3.475 9.283 1.00 0.00 C ATOM 83 OG SER A 6 -9.159 4.490 8.520 1.00 0.00 O ATOM 0 H SER A 6 -9.419 1.911 7.587 1.00 0.00 H new ATOM 0 HA SER A 6 -6.934 3.243 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.343 2.855 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.003 3.921 10.103 1.00 0.00 H new ATOM 0 HG SER A 6 -9.824 4.099 7.916 1.00 0.00 H new ATOM 89 N GLU A 7 -7.461 0.549 9.723 1.00 0.00 N ATOM 90 CA GLU A 7 -6.785 -0.470 10.518 1.00 0.00 C ATOM 91 C GLU A 7 -5.618 -1.081 9.753 1.00 0.00 C ATOM 92 O GLU A 7 -4.512 -1.199 10.281 1.00 0.00 O ATOM 93 CB GLU A 7 -7.769 -1.564 10.937 1.00 0.00 C ATOM 94 CG GLU A 7 -8.795 -1.124 11.973 1.00 0.00 C ATOM 95 CD GLU A 7 -9.820 -2.196 12.217 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.772 -3.200 11.546 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.581 -2.063 13.146 1.00 0.00 O ATOM 0 H GLU A 7 -8.427 0.325 9.485 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.391 0.013 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.295 -1.921 10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.207 -2.408 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.290 -0.882 12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.291 -0.215 11.633 1.00 0.00 H new ATOM 104 N CYS A 8 -5.872 -1.469 8.508 1.00 0.00 N ATOM 105 CA CYS A 8 -4.833 -2.035 7.656 1.00 0.00 C ATOM 106 C CYS A 8 -3.748 -1.009 7.352 1.00 0.00 C ATOM 107 O CYS A 8 -2.564 -1.341 7.302 1.00 0.00 O ATOM 108 CB CYS A 8 -5.601 -2.400 6.385 1.00 0.00 C ATOM 109 SG CYS A 8 -6.715 -3.814 6.561 1.00 0.00 S ATOM 0 H CYS A 8 -6.789 -1.402 8.066 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.317 -2.879 8.114 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.181 -1.534 6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.885 -2.615 5.592 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.864 -3.408 7.013 1.00 0.00 H new ATOM 115 N PHE A 9 -4.161 0.237 7.149 1.00 0.00 N ATOM 116 CA PHE A 9 -3.222 1.320 6.879 1.00 0.00 C ATOM 117 C PHE A 9 -2.203 1.459 8.003 1.00 0.00 C ATOM 118 O PHE A 9 -0.997 1.498 7.759 1.00 0.00 O ATOM 119 CB PHE A 9 -3.971 2.639 6.682 1.00 0.00 C ATOM 120 CG PHE A 9 -3.070 3.825 6.484 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.459 4.053 5.260 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.829 4.713 7.521 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.630 5.143 5.076 1.00 0.00 C ATOM 124 CE2 PHE A 9 -2.000 5.803 7.340 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.400 6.018 6.115 1.00 0.00 C ATOM 0 H PHE A 9 -5.140 0.522 7.166 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.686 1.076 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.629 2.547 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.606 2.818 7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.633 3.371 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.295 4.551 8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.162 5.309 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.821 6.487 8.156 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.752 6.870 5.972 1.00 0.00 H new ATOM 135 N ARG A 10 -2.695 1.533 9.235 1.00 0.00 N ATOM 136 CA ARG A 10 -1.832 1.727 10.394 1.00 0.00 C ATOM 137 C ARG A 10 -0.958 0.504 10.641 1.00 0.00 C ATOM 138 O ARG A 10 0.195 0.626 11.054 1.00 0.00 O ATOM 139 CB ARG A 10 -2.619 2.109 11.639 1.00 0.00 C ATOM 140 CG ARG A 10 -3.204 3.513 11.619 1.00 0.00 C ATOM 141 CD ARG A 10 -4.013 3.856 12.817 1.00 0.00 C ATOM 142 NE ARG A 10 -4.541 5.210 12.819 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.348 5.716 13.773 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.751 4.974 14.781 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.742 6.971 13.657 1.00 0.00 N ATOM 0 H ARG A 10 -3.688 1.461 9.457 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.175 2.567 10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.431 1.394 11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.967 2.015 12.507 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.390 4.232 11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.827 3.622 10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.844 3.155 12.891 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.399 3.718 13.707 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.283 5.821 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.453 4.001 14.849 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.362 5.372 15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.436 7.530 12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.353 7.381 14.363 1.00 0.00 H new ATOM 159 N ILE A 11 -1.515 -0.675 10.386 1.00 0.00 N ATOM 160 CA ILE A 11 -0.769 -1.921 10.525 1.00 0.00 C ATOM 161 C ILE A 11 0.332 -2.024 9.477 1.00 0.00 C ATOM 162 O ILE A 11 1.459 -2.412 9.783 1.00 0.00 O ATOM 163 CB ILE A 11 -1.691 -3.148 10.409 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.619 -3.234 11.624 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.870 -4.420 10.271 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.743 -4.232 11.463 1.00 0.00 C ATOM 0 H ILE A 11 -2.481 -0.794 10.082 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.320 -1.909 11.518 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.304 -3.038 9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.030 -3.502 12.501 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.045 -2.249 11.815 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.538 -5.277 10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.250 -4.358 9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.232 -4.538 11.147 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.357 -4.236 12.363 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.357 -3.954 10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.326 -5.226 11.303 1.00 0.00 H new ATOM 178 N PHE A 12 -0.001 -1.673 8.239 1.00 0.00 N ATOM 179 CA PHE A 12 0.932 -1.808 7.128 1.00 0.00 C ATOM 180 C PHE A 12 2.050 -0.776 7.219 1.00 0.00 C ATOM 181 O PHE A 12 3.172 -1.022 6.777 1.00 0.00 O ATOM 182 CB PHE A 12 0.197 -1.669 5.793 1.00 0.00 C ATOM 183 CG PHE A 12 -0.738 -2.806 5.497 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.611 -4.019 6.157 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.748 -2.666 4.556 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.471 -5.065 5.885 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.610 -3.710 4.283 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.471 -4.911 4.948 1.00 0.00 C ATOM 0 H PHE A 12 -0.911 -1.293 7.981 1.00 0.00 H new ATOM 0 HA PHE A 12 1.379 -2.801 7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.368 -0.737 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.931 -1.595 4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.170 -4.147 6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.861 -1.729 4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.360 -6.004 6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.393 -3.586 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.144 -5.729 4.735 1.00 0.00 H new ATOM 198 N ASP A 13 1.736 0.379 7.796 1.00 0.00 N ATOM 199 CA ASP A 13 2.747 1.387 8.091 1.00 0.00 C ATOM 200 C ASP A 13 3.565 1.005 9.318 1.00 0.00 C ATOM 201 O ASP A 13 3.366 1.550 10.404 1.00 0.00 O ATOM 202 CB ASP A 13 2.094 2.756 8.301 1.00 0.00 C ATOM 203 CG ASP A 13 3.080 3.902 8.484 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.263 3.650 8.474 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.655 5.032 8.474 1.00 0.00 O ATOM 0 H ASP A 13 0.788 0.640 8.069 1.00 0.00 H new ATOM 0 HA ASP A 13 3.421 1.443 7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.455 2.975 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.447 2.706 9.177 1.00 0.00 H new ATOM 210 N LYS A 14 4.487 0.065 9.138 1.00 0.00 N ATOM 211 CA LYS A 14 5.249 -0.485 10.253 1.00 0.00 C ATOM 212 C LYS A 14 6.238 0.537 10.800 1.00 0.00 C ATOM 213 O LYS A 14 6.560 0.530 11.988 1.00 0.00 O ATOM 214 CB LYS A 14 5.987 -1.754 9.824 1.00 0.00 C ATOM 215 CG LYS A 14 5.084 -2.956 9.585 1.00 0.00 C ATOM 216 CD LYS A 14 5.895 -4.208 9.285 1.00 0.00 C ATOM 217 CE LYS A 14 6.454 -4.179 7.870 1.00 0.00 C ATOM 218 NZ LYS A 14 7.110 -5.464 7.505 1.00 0.00 N ATOM 0 H LYS A 14 4.725 -0.332 8.229 1.00 0.00 H new ATOM 0 HA LYS A 14 4.545 -0.737 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.543 -1.545 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.718 -2.011 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.461 -3.126 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.411 -2.748 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.713 -4.294 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.267 -5.090 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.649 -3.970 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.174 -3.366 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.326 -5.467 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.992 -5.570 8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.471 -6.255 7.726 1.00 0.00 H new ATOM 232 N ASP A 15 6.718 1.415 9.927 1.00 0.00 N ATOM 233 CA ASP A 15 7.609 2.495 10.336 1.00 0.00 C ATOM 234 C ASP A 15 6.872 3.521 11.189 1.00 0.00 C ATOM 235 O ASP A 15 7.444 4.096 12.116 1.00 0.00 O ATOM 236 CB ASP A 15 8.225 3.176 9.112 1.00 0.00 C ATOM 237 CG ASP A 15 9.303 2.357 8.413 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.750 1.391 8.984 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.556 2.608 7.259 1.00 0.00 O ATOM 0 H ASP A 15 6.505 1.400 8.930 1.00 0.00 H new ATOM 0 HA ASP A 15 8.407 2.059 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.433 3.397 8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.653 4.130 9.419 1.00 0.00 H new ATOM 244 N GLY A 16 5.602 3.745 10.872 1.00 0.00 N ATOM 245 CA GLY A 16 4.776 4.680 11.627 1.00 0.00 C ATOM 246 C GLY A 16 5.009 6.114 11.169 1.00 0.00 C ATOM 247 O GLY A 16 4.984 7.045 11.974 1.00 0.00 O ATOM 0 H GLY A 16 5.121 3.291 10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.724 4.422 11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.002 4.593 12.690 1.00 0.00 H new ATOM 251 N ASN A 17 5.235 6.286 9.870 1.00 0.00 N ATOM 252 CA ASN A 17 5.593 7.588 9.320 1.00 0.00 C ATOM 253 C ASN A 17 4.354 8.369 8.904 1.00 0.00 C ATOM 254 O ASN A 17 4.429 9.564 8.617 1.00 0.00 O ATOM 255 CB ASN A 17 6.546 7.451 8.147 1.00 0.00 C ATOM 256 CG ASN A 17 7.922 6.988 8.536 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.373 7.198 9.668 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.622 6.432 7.580 1.00 0.00 N ATOM 0 H ASN A 17 5.176 5.539 9.178 1.00 0.00 H new ATOM 0 HA ASN A 17 6.102 8.142 10.109 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.125 6.747 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.626 8.413 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.587 6.150 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.203 6.281 6.663 1.00 0.00 H new ATOM 265 N GLY A 18 3.213 7.687 8.872 1.00 0.00 N ATOM 266 CA GLY A 18 1.956 8.316 8.486 1.00 0.00 C ATOM 267 C GLY A 18 1.630 8.041 7.023 1.00 0.00 C ATOM 268 O GLY A 18 0.877 8.784 6.395 1.00 0.00 O ATOM 0 H GLY A 18 3.134 6.698 9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.150 7.942 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.018 9.392 8.652 1.00 0.00 H new ATOM 272 N PHE A 19 2.203 6.969 6.486 1.00 0.00 N ATOM 273 CA PHE A 19 2.016 6.624 5.082 1.00 0.00 C ATOM 274 C PHE A 19 2.662 5.284 4.754 1.00 0.00 C ATOM 275 O PHE A 19 3.461 4.762 5.531 1.00 0.00 O ATOM 276 CB PHE A 19 2.590 7.719 4.181 1.00 0.00 C ATOM 277 CG PHE A 19 4.050 7.988 4.410 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.019 7.183 3.829 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.459 9.046 5.208 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.362 7.429 4.039 1.00 0.00 C ATOM 281 CE2 PHE A 19 5.801 9.296 5.419 1.00 0.00 C ATOM 282 CZ PHE A 19 6.754 8.486 4.834 1.00 0.00 C ATOM 0 H PHE A 19 2.801 6.324 7.002 1.00 0.00 H new ATOM 0 HA PHE A 19 0.945 6.540 4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.441 7.435 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.030 8.640 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.720 6.354 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.719 9.682 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.105 6.794 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.105 10.125 6.041 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.804 8.680 4.998 1.00 0.00 H new ATOM 292 N ILE A 20 2.311 4.730 3.598 1.00 0.00 N ATOM 293 CA ILE A 20 2.875 3.462 3.153 1.00 0.00 C ATOM 294 C ILE A 20 4.101 3.683 2.274 1.00 0.00 C ATOM 295 O ILE A 20 4.012 4.295 1.211 1.00 0.00 O ATOM 296 CB ILE A 20 1.842 2.625 2.376 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.595 2.388 3.231 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.451 1.302 1.937 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.874 1.673 4.533 1.00 0.00 C ATOM 0 H ILE A 20 1.637 5.141 2.952 1.00 0.00 H new ATOM 0 HA ILE A 20 3.168 2.917 4.050 1.00 0.00 H new ATOM 0 HB ILE A 20 1.547 3.179 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.127 3.348 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.124 1.806 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.707 0.723 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.309 1.493 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.773 0.741 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.058 1.542 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.313 0.697 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.568 2.264 5.131 1.00 0.00 H new ATOM 311 N ASP A 21 5.244 3.179 2.727 1.00 0.00 N ATOM 312 CA ASP A 21 6.485 3.297 1.970 1.00 0.00 C ATOM 313 C ASP A 21 6.553 2.255 0.860 1.00 0.00 C ATOM 314 O ASP A 21 5.722 1.350 0.792 1.00 0.00 O ATOM 315 CB ASP A 21 7.694 3.157 2.897 1.00 0.00 C ATOM 316 CG ASP A 21 8.955 3.850 2.397 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.924 4.383 1.314 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.881 3.978 3.162 1.00 0.00 O ATOM 0 H ASP A 21 5.337 2.685 3.615 1.00 0.00 H new ATOM 0 HA ASP A 21 6.504 4.286 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.435 3.562 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.908 2.097 3.037 1.00 0.00 H new ATOM 323 N ARG A 22 7.549 2.389 -0.009 1.00 0.00 N ATOM 324 CA ARG A 22 7.734 1.455 -1.113 1.00 0.00 C ATOM 325 C ARG A 22 8.022 0.049 -0.603 1.00 0.00 C ATOM 326 O ARG A 22 7.456 -0.928 -1.093 1.00 0.00 O ATOM 327 CB ARG A 22 8.803 1.924 -2.090 1.00 0.00 C ATOM 328 CG ARG A 22 8.945 1.069 -3.339 1.00 0.00 C ATOM 329 CD ARG A 22 9.998 1.532 -4.280 1.00 0.00 C ATOM 330 NE ARG A 22 11.354 1.416 -3.770 1.00 0.00 N ATOM 331 CZ ARG A 22 12.095 0.292 -3.814 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.604 -0.824 -4.307 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.322 0.333 -3.325 1.00 0.00 N ATOM 0 H ARG A 22 8.242 3.137 0.030 1.00 0.00 H new ATOM 0 HA ARG A 22 6.795 1.424 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.577 2.947 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.762 1.949 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.166 0.044 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.989 1.050 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.920 0.958 -5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.807 2.574 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 22 11.774 2.244 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.649 -0.847 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.179 -1.666 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.684 1.200 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.907 -0.502 -3.344 1.00 0.00 H new ATOM 347 N GLU A 23 8.906 -0.046 0.385 1.00 0.00 N ATOM 348 CA GLU A 23 9.252 -1.331 0.981 1.00 0.00 C ATOM 349 C GLU A 23 8.080 -1.911 1.761 1.00 0.00 C ATOM 350 O GLU A 23 7.838 -3.118 1.734 1.00 0.00 O ATOM 351 CB GLU A 23 10.472 -1.186 1.894 1.00 0.00 C ATOM 352 CG GLU A 23 11.778 -0.918 1.161 1.00 0.00 C ATOM 353 CD GLU A 23 12.905 -0.670 2.126 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.655 -0.640 3.307 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.032 -0.622 1.692 1.00 0.00 O ATOM 0 H GLU A 23 9.396 0.752 0.790 1.00 0.00 H new ATOM 0 HA GLU A 23 9.495 -2.019 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.290 -0.372 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.580 -2.097 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.022 -1.769 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.660 -0.054 0.507 1.00 0.00 H new ATOM 362 N GLU A 24 7.353 -1.043 2.458 1.00 0.00 N ATOM 363 CA GLU A 24 6.151 -1.451 3.175 1.00 0.00 C ATOM 364 C GLU A 24 5.069 -1.922 2.212 1.00 0.00 C ATOM 365 O GLU A 24 4.334 -2.867 2.503 1.00 0.00 O ATOM 366 CB GLU A 24 5.625 -0.302 4.037 1.00 0.00 C ATOM 367 CG GLU A 24 6.482 0.015 5.255 1.00 0.00 C ATOM 368 CD GLU A 24 6.025 1.277 5.931 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.203 1.963 5.372 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.412 1.500 7.053 1.00 0.00 O ATOM 0 H GLU A 24 7.576 -0.051 2.541 1.00 0.00 H new ATOM 0 HA GLU A 24 6.417 -2.286 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.548 0.593 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.617 -0.547 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.436 -0.815 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.524 0.119 4.952 1.00 0.00 H new ATOM 377 N PHE A 25 4.974 -1.258 1.065 1.00 0.00 N ATOM 378 CA PHE A 25 4.007 -1.633 0.040 1.00 0.00 C ATOM 379 C PHE A 25 4.329 -3.003 -0.545 1.00 0.00 C ATOM 380 O PHE A 25 3.430 -3.798 -0.820 1.00 0.00 O ATOM 381 CB PHE A 25 3.971 -0.582 -1.071 1.00 0.00 C ATOM 382 CG PHE A 25 2.998 -0.896 -2.170 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.632 -0.857 -1.939 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.446 -1.231 -3.439 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.734 -1.146 -2.950 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.552 -1.519 -4.451 1.00 0.00 C ATOM 387 CZ PHE A 25 1.195 -1.477 -4.206 1.00 0.00 C ATOM 0 H PHE A 25 5.556 -0.456 0.822 1.00 0.00 H new ATOM 0 HA PHE A 25 3.025 -1.685 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.715 0.384 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.969 -0.484 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.264 -0.598 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.507 -1.267 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.328 -1.112 -2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.915 -1.777 -5.435 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.495 -1.703 -4.997 1.00 0.00 H new ATOM 397 N GLY A 26 5.616 -3.274 -0.732 1.00 0.00 N ATOM 398 CA GLY A 26 6.069 -4.598 -1.141 1.00 0.00 C ATOM 399 C GLY A 26 5.585 -5.669 -0.171 1.00 0.00 C ATOM 400 O GLY A 26 5.169 -6.750 -0.585 1.00 0.00 O ATOM 0 H GLY A 26 6.365 -2.593 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.701 -4.818 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.158 -4.614 -1.191 1.00 0.00 H new ATOM 404 N ASP A 27 5.644 -5.360 1.119 1.00 0.00 N ATOM 405 CA ASP A 27 5.203 -6.293 2.150 1.00 0.00 C ATOM 406 C ASP A 27 3.693 -6.490 2.107 1.00 0.00 C ATOM 407 O ASP A 27 3.190 -7.575 2.398 1.00 0.00 O ATOM 408 CB ASP A 27 5.629 -5.801 3.536 1.00 0.00 C ATOM 409 CG ASP A 27 7.105 -6.010 3.851 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.737 -6.775 3.162 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.623 -5.291 4.672 1.00 0.00 O ATOM 0 H ASP A 27 5.993 -4.471 1.476 1.00 0.00 H new ATOM 0 HA ASP A 27 5.678 -7.254 1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.399 -4.739 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.033 -6.315 4.290 1.00 0.00 H new ATOM 416 N ILE A 28 2.974 -5.434 1.741 1.00 0.00 N ATOM 417 CA ILE A 28 1.530 -5.516 1.562 1.00 0.00 C ATOM 418 C ILE A 28 1.166 -6.513 0.469 1.00 0.00 C ATOM 419 O ILE A 28 0.290 -7.358 0.655 1.00 0.00 O ATOM 420 CB ILE A 28 0.925 -4.143 1.213 1.00 0.00 C ATOM 421 CG1 ILE A 28 1.038 -3.191 2.406 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.526 -4.295 0.785 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.647 -1.766 2.089 1.00 0.00 C ATOM 0 H ILE A 28 3.369 -4.511 1.563 1.00 0.00 H new ATOM 0 HA ILE A 28 1.115 -5.855 2.511 1.00 0.00 H new ATOM 0 HB ILE A 28 1.486 -3.719 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.406 -3.560 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.064 -3.203 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.938 -3.316 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.581 -4.940 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.101 -4.739 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.753 -1.152 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.295 -1.377 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.389 -1.739 1.752 1.00 0.00 H new ATOM 435 N ILE A 29 1.843 -6.410 -0.668 1.00 0.00 N ATOM 436 CA ILE A 29 1.633 -7.341 -1.772 1.00 0.00 C ATOM 437 C ILE A 29 2.172 -8.725 -1.435 1.00 0.00 C ATOM 438 O ILE A 29 1.599 -9.739 -1.834 1.00 0.00 O ATOM 439 CB ILE A 29 2.299 -6.841 -3.067 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.536 -5.639 -3.631 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.371 -7.960 -4.094 1.00 0.00 C ATOM 442 CD1 ILE A 29 2.241 -4.953 -4.779 1.00 0.00 C ATOM 0 H ILE A 29 2.543 -5.691 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 29 0.556 -7.403 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 29 3.315 -6.524 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.553 -5.969 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.374 -4.916 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.844 -7.589 -5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.956 -8.787 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.364 -8.307 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.640 -4.112 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.213 -4.591 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.379 -5.661 -5.596 1.00 0.00 H new ATOM 454 N ARG A 30 3.278 -8.760 -0.699 1.00 0.00 N ATOM 455 CA ARG A 30 3.842 -10.018 -0.225 1.00 0.00 C ATOM 456 C ARG A 30 2.882 -10.733 0.717 1.00 0.00 C ATOM 457 O ARG A 30 2.868 -11.962 0.789 1.00 0.00 O ATOM 458 CB ARG A 30 5.211 -9.829 0.413 1.00 0.00 C ATOM 459 CG ARG A 30 6.360 -9.676 -0.571 1.00 0.00 C ATOM 460 CD ARG A 30 7.705 -9.663 0.057 1.00 0.00 C ATOM 461 NE ARG A 30 8.079 -8.392 0.656 1.00 0.00 N ATOM 462 CZ ARG A 30 8.722 -7.401 0.009 1.00 0.00 C ATOM 463 NH1 ARG A 30 9.097 -7.541 -1.243 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.987 -6.290 0.674 1.00 0.00 N ATOM 0 H ARG A 30 3.802 -7.931 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 30 3.986 -10.653 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.179 -8.947 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.416 -10.683 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.316 -10.492 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.224 -8.750 -1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.741 -10.436 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.447 -9.927 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 30 7.837 -8.240 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.902 -8.410 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.583 -6.780 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.706 -6.201 1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.473 -5.522 0.211 1.00 0.00 H new ATOM 478 N LEU A 31 2.079 -9.956 1.437 1.00 0.00 N ATOM 479 CA LEU A 31 1.166 -10.510 2.429 1.00 0.00 C ATOM 480 C LEU A 31 -0.094 -11.057 1.773 1.00 0.00 C ATOM 481 O LEU A 31 -0.424 -12.234 1.926 1.00 0.00 O ATOM 482 CB LEU A 31 0.806 -9.442 3.470 1.00 0.00 C ATOM 483 CG LEU A 31 -0.049 -9.938 4.644 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.724 -10.971 5.453 1.00 0.00 C ATOM 485 CD2 LEU A 31 -0.448 -8.758 5.517 1.00 0.00 C ATOM 0 H LEU A 31 2.042 -8.940 1.351 1.00 0.00 H new ATOM 0 HA LEU A 31 1.669 -11.338 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.729 -9.018 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.273 -8.634 2.969 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.953 -10.412 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.109 -11.317 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.980 -11.816 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.637 -10.520 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.055 -9.111 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.448 -8.271 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.023 -8.046 4.925 1.00 0.00 H new ATOM 497 N THR A 32 -0.797 -10.199 1.043 1.00 0.00 N ATOM 498 CA THR A 32 -2.128 -10.524 0.547 1.00 0.00 C ATOM 499 C THR A 32 -2.186 -10.441 -0.973 1.00 0.00 C ATOM 500 O THR A 32 -3.178 -10.831 -1.589 1.00 0.00 O ATOM 501 CB THR A 32 -3.197 -9.590 1.143 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.882 -8.229 0.818 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.258 -9.745 2.655 1.00 0.00 C ATOM 0 H THR A 32 -0.466 -9.270 0.781 1.00 0.00 H new ATOM 0 HA THR A 32 -2.337 -11.547 0.860 1.00 0.00 H new ATOM 0 HB THR A 32 -4.166 -9.857 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.564 -7.636 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.019 -9.077 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.510 -10.776 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.289 -9.493 3.086 1.00 0.00 H new ATOM 511 N GLY A 33 -1.117 -9.928 -1.574 1.00 0.00 N ATOM 512 CA GLY A 33 -1.080 -9.705 -3.014 1.00 0.00 C ATOM 513 C GLY A 33 -0.432 -10.880 -3.737 1.00 0.00 C ATOM 514 O GLY A 33 0.527 -10.707 -4.488 1.00 0.00 O ATOM 0 H GLY A 33 -0.264 -9.659 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.093 -9.558 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.525 -8.792 -3.229 1.00 0.00 H new ATOM 518 N GLU A 34 -0.962 -12.076 -3.504 1.00 0.00 N ATOM 519 CA GLU A 34 -0.367 -13.295 -4.039 1.00 0.00 C ATOM 520 C GLU A 34 -0.402 -13.303 -5.562 1.00 0.00 C ATOM 521 O GLU A 34 0.459 -13.900 -6.209 1.00 0.00 O ATOM 522 CB GLU A 34 -1.088 -14.528 -3.490 1.00 0.00 C ATOM 523 CG GLU A 34 -0.843 -14.792 -2.010 1.00 0.00 C ATOM 524 CD GLU A 34 -1.651 -15.963 -1.524 1.00 0.00 C ATOM 525 OE1 GLU A 34 -2.414 -16.495 -2.295 1.00 0.00 O ATOM 526 OE2 GLU A 34 -1.426 -16.396 -0.419 1.00 0.00 O ATOM 0 H GLU A 34 -1.803 -12.227 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 34 0.676 -13.324 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.159 -14.410 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.773 -15.402 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.217 -14.984 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.101 -13.904 -1.432 1.00 0.00 H new ATOM 533 N GLN A 35 -1.403 -12.638 -6.129 1.00 0.00 N ATOM 534 CA GLN A 35 -1.569 -12.593 -7.577 1.00 0.00 C ATOM 535 C GLN A 35 -0.526 -11.691 -8.223 1.00 0.00 C ATOM 536 O GLN A 35 -0.196 -11.850 -9.399 1.00 0.00 O ATOM 537 CB GLN A 35 -2.972 -12.101 -7.940 1.00 0.00 C ATOM 538 CG GLN A 35 -4.086 -13.064 -7.566 1.00 0.00 C ATOM 539 CD GLN A 35 -5.451 -12.570 -8.006 1.00 0.00 C ATOM 540 OE1 GLN A 35 -5.825 -12.695 -9.175 1.00 0.00 O ATOM 541 NE2 GLN A 35 -6.203 -12.002 -7.070 1.00 0.00 N ATOM 0 H GLN A 35 -2.112 -12.123 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.434 -13.606 -7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.150 -11.147 -7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.013 -11.915 -9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.891 -14.035 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.087 -13.212 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.853 -11.920 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.130 -11.648 -7.306 1.00 0.00 H new ATOM 550 N LEU A 36 -0.008 -10.744 -7.449 1.00 0.00 N ATOM 551 CA LEU A 36 0.938 -9.762 -7.967 1.00 0.00 C ATOM 552 C LEU A 36 2.375 -10.244 -7.808 1.00 0.00 C ATOM 553 O LEU A 36 2.670 -11.070 -6.945 1.00 0.00 O ATOM 554 CB LEU A 36 0.746 -8.416 -7.258 1.00 0.00 C ATOM 555 CG LEU A 36 -0.638 -7.779 -7.431 1.00 0.00 C ATOM 556 CD1 LEU A 36 -0.739 -6.512 -6.591 1.00 0.00 C ATOM 557 CD2 LEU A 36 -0.877 -7.470 -8.901 1.00 0.00 C ATOM 0 H LEU A 36 -0.228 -10.635 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 36 0.743 -9.633 -9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.934 -8.554 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.498 -7.719 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.403 -8.477 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.726 -6.067 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.588 -6.759 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.024 -5.802 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.861 -7.017 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.113 -6.778 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.828 -8.393 -9.479 1.00 0.00 H new ATOM 569 N THR A 37 3.264 -9.724 -8.647 1.00 0.00 N ATOM 570 CA THR A 37 4.669 -10.112 -8.611 1.00 0.00 C ATOM 571 C THR A 37 5.495 -9.115 -7.809 1.00 0.00 C ATOM 572 O THR A 37 4.983 -8.088 -7.362 1.00 0.00 O ATOM 573 CB THR A 37 5.260 -10.230 -10.029 1.00 0.00 C ATOM 574 OG1 THR A 37 5.348 -8.927 -10.622 1.00 0.00 O ATOM 575 CG2 THR A 37 4.386 -11.120 -10.898 1.00 0.00 C ATOM 0 H THR A 37 3.036 -9.032 -9.361 1.00 0.00 H new ATOM 0 HA THR A 37 4.713 -11.088 -8.127 1.00 0.00 H new ATOM 0 HB THR A 37 6.254 -10.673 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.725 -9.003 -11.523 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.819 -11.192 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.326 -12.114 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.386 -10.693 -10.966 1.00 0.00 H new ATOM 583 N ASP A 38 6.775 -9.422 -7.631 1.00 0.00 N ATOM 584 CA ASP A 38 7.701 -8.501 -6.982 1.00 0.00 C ATOM 585 C ASP A 38 7.982 -7.291 -7.864 1.00 0.00 C ATOM 586 O ASP A 38 8.284 -6.206 -7.366 1.00 0.00 O ATOM 587 CB ASP A 38 9.011 -9.214 -6.635 1.00 0.00 C ATOM 588 CG ASP A 38 8.908 -10.187 -5.469 1.00 0.00 C ATOM 589 OD1 ASP A 38 7.918 -10.153 -4.777 1.00 0.00 O ATOM 590 OD2 ASP A 38 9.739 -11.058 -5.373 1.00 0.00 O ATOM 0 H ASP A 38 7.196 -10.303 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 38 7.233 -8.151 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.360 -9.755 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.767 -8.465 -6.401 1.00 0.00 H new ATOM 595 N GLU A 39 7.880 -7.483 -9.174 1.00 0.00 N ATOM 596 CA GLU A 39 8.046 -6.390 -10.124 1.00 0.00 C ATOM 597 C GLU A 39 6.826 -5.480 -10.136 1.00 0.00 C ATOM 598 O GLU A 39 6.940 -4.276 -10.367 1.00 0.00 O ATOM 599 CB GLU A 39 8.309 -6.937 -11.529 1.00 0.00 C ATOM 600 CG GLU A 39 9.651 -7.636 -11.691 1.00 0.00 C ATOM 601 CD GLU A 39 9.799 -8.224 -13.067 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.874 -8.123 -13.838 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.873 -8.674 -13.387 1.00 0.00 O ATOM 0 H GLU A 39 7.683 -8.387 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 39 8.906 -5.801 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.515 -7.637 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.253 -6.115 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.458 -6.926 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.745 -8.425 -10.944 1.00 0.00 H new ATOM 610 N ASP A 40 5.658 -6.062 -9.887 1.00 0.00 N ATOM 611 CA ASP A 40 4.420 -5.294 -9.807 1.00 0.00 C ATOM 612 C ASP A 40 4.461 -4.303 -8.651 1.00 0.00 C ATOM 613 O ASP A 40 3.790 -3.271 -8.682 1.00 0.00 O ATOM 614 CB ASP A 40 3.218 -6.229 -9.657 1.00 0.00 C ATOM 615 CG ASP A 40 2.865 -7.008 -10.916 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.331 -6.640 -11.968 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.265 -8.049 -10.798 1.00 0.00 O ATOM 0 H ASP A 40 5.542 -7.064 -9.737 1.00 0.00 H new ATOM 0 HA ASP A 40 4.316 -4.731 -10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.421 -6.936 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.352 -5.641 -9.354 1.00 0.00 H new ATOM 622 N VAL A 41 5.252 -4.622 -7.632 1.00 0.00 N ATOM 623 CA VAL A 41 5.351 -3.780 -6.446 1.00 0.00 C ATOM 624 C VAL A 41 5.735 -2.353 -6.814 1.00 0.00 C ATOM 625 O VAL A 41 5.038 -1.401 -6.462 1.00 0.00 O ATOM 626 CB VAL A 41 6.379 -4.335 -5.443 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.604 -3.347 -4.309 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.917 -5.677 -4.894 1.00 0.00 C ATOM 0 H VAL A 41 5.835 -5.459 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 41 4.366 -3.779 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 41 7.324 -4.482 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.333 -3.756 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.977 -2.407 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.663 -3.169 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.656 -6.055 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.960 -5.553 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.804 -6.386 -5.714 1.00 0.00 H new ATOM 638 N ASP A 42 6.848 -2.210 -7.526 1.00 0.00 N ATOM 639 CA ASP A 42 7.389 -0.895 -7.846 1.00 0.00 C ATOM 640 C ASP A 42 6.509 -0.168 -8.855 1.00 0.00 C ATOM 641 O ASP A 42 6.308 1.042 -8.760 1.00 0.00 O ATOM 642 CB ASP A 42 8.816 -1.019 -8.387 1.00 0.00 C ATOM 643 CG ASP A 42 9.859 -1.369 -7.333 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.549 -1.289 -6.169 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.900 -1.861 -7.699 1.00 0.00 O ATOM 0 H ASP A 42 7.393 -2.990 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 42 7.408 -0.310 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.832 -1.783 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.096 -0.077 -8.859 1.00 0.00 H new ATOM 650 N GLU A 43 5.987 -0.914 -9.822 1.00 0.00 N ATOM 651 CA GLU A 43 5.182 -0.332 -10.890 1.00 0.00 C ATOM 652 C GLU A 43 3.857 0.197 -10.356 1.00 0.00 C ATOM 653 O GLU A 43 3.443 1.307 -10.685 1.00 0.00 O ATOM 654 CB GLU A 43 4.931 -1.360 -11.994 1.00 0.00 C ATOM 655 CG GLU A 43 6.163 -1.713 -12.818 1.00 0.00 C ATOM 656 CD GLU A 43 5.854 -2.776 -13.835 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.751 -3.266 -13.838 1.00 0.00 O ATOM 658 OE2 GLU A 43 6.683 -3.020 -14.679 1.00 0.00 O ATOM 0 H GLU A 43 6.107 -1.925 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 43 5.740 0.506 -11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.538 -2.271 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.160 -0.977 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.533 -0.821 -13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.958 -2.059 -12.157 1.00 0.00 H new ATOM 665 N ILE A 44 3.196 -0.607 -9.530 1.00 0.00 N ATOM 666 CA ILE A 44 1.919 -0.220 -8.943 1.00 0.00 C ATOM 667 C ILE A 44 2.101 0.884 -7.908 1.00 0.00 C ATOM 668 O ILE A 44 1.274 1.789 -7.799 1.00 0.00 O ATOM 669 CB ILE A 44 1.212 -1.418 -8.283 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.799 -2.443 -9.343 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.003 -0.951 -7.488 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.323 -3.757 -8.768 1.00 0.00 C ATOM 0 H ILE A 44 3.524 -1.532 -9.252 1.00 0.00 H new ATOM 0 HA ILE A 44 1.298 0.150 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 44 1.909 -1.896 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.006 -2.017 -9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.646 -2.631 -10.002 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.485 -1.811 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.324 -0.258 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.699 -0.449 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.048 -4.431 -9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.122 -4.206 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.545 -3.583 -8.132 1.00 0.00 H new ATOM 684 N PHE A 45 3.189 0.802 -7.149 1.00 0.00 N ATOM 685 CA PHE A 45 3.508 1.820 -6.156 1.00 0.00 C ATOM 686 C PHE A 45 3.533 3.210 -6.780 1.00 0.00 C ATOM 687 O PHE A 45 2.921 4.144 -6.263 1.00 0.00 O ATOM 688 CB PHE A 45 4.852 1.517 -5.492 1.00 0.00 C ATOM 689 CG PHE A 45 5.284 2.554 -4.496 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.762 2.560 -3.210 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.211 3.526 -4.840 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.158 3.514 -2.292 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.610 4.479 -3.924 1.00 0.00 C ATOM 694 CZ PHE A 45 6.082 4.473 -2.648 1.00 0.00 C ATOM 0 H PHE A 45 3.865 0.040 -7.203 1.00 0.00 H new ATOM 0 HA PHE A 45 2.726 1.802 -5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.790 0.550 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.616 1.428 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.039 1.811 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.626 3.538 -5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.743 3.508 -1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.335 5.229 -4.205 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.392 5.218 -1.930 1.00 0.00 H new ATOM 704 N GLY A 46 4.244 3.340 -7.894 1.00 0.00 N ATOM 705 CA GLY A 46 4.338 4.613 -8.599 1.00 0.00 C ATOM 706 C GLY A 46 2.982 5.040 -9.146 1.00 0.00 C ATOM 707 O GLY A 46 2.664 6.229 -9.183 1.00 0.00 O ATOM 0 H GLY A 46 4.765 2.578 -8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.718 5.379 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.053 4.527 -9.417 1.00 0.00 H new ATOM 711 N ASP A 47 2.186 4.064 -9.570 1.00 0.00 N ATOM 712 CA ASP A 47 0.847 4.335 -10.078 1.00 0.00 C ATOM 713 C ASP A 47 -0.081 4.803 -8.964 1.00 0.00 C ATOM 714 O ASP A 47 -0.965 5.630 -9.186 1.00 0.00 O ATOM 715 CB ASP A 47 0.269 3.090 -10.755 1.00 0.00 C ATOM 716 CG ASP A 47 0.885 2.768 -12.110 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.575 3.605 -12.641 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.792 1.639 -12.528 1.00 0.00 O ATOM 0 H ASP A 47 2.446 3.078 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 47 0.926 5.135 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.407 2.234 -10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.805 3.225 -10.881 1.00 0.00 H new ATOM 723 N SER A 48 0.126 4.268 -7.765 1.00 0.00 N ATOM 724 CA SER A 48 -0.703 4.615 -6.618 1.00 0.00 C ATOM 725 C SER A 48 -0.294 5.957 -6.026 1.00 0.00 C ATOM 726 O SER A 48 -1.120 6.677 -5.465 1.00 0.00 O ATOM 727 CB SER A 48 -0.620 3.527 -5.565 1.00 0.00 C ATOM 728 OG SER A 48 -1.135 2.308 -6.026 1.00 0.00 O ATOM 0 H SER A 48 0.862 3.591 -7.563 1.00 0.00 H new ATOM 0 HA SER A 48 -1.734 4.701 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.419 3.391 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.169 3.840 -4.677 1.00 0.00 H new ATOM 0 HG SER A 48 -0.513 1.913 -6.672 1.00 0.00 H new ATOM 734 N ASP A 49 0.986 6.290 -6.157 1.00 0.00 N ATOM 735 CA ASP A 49 1.492 7.578 -5.700 1.00 0.00 C ATOM 736 C ASP A 49 1.107 8.695 -6.662 1.00 0.00 C ATOM 737 O ASP A 49 1.901 9.096 -7.513 1.00 0.00 O ATOM 738 CB ASP A 49 3.014 7.528 -5.536 1.00 0.00 C ATOM 739 CG ASP A 49 3.623 8.783 -4.925 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.884 9.692 -4.626 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.790 8.764 -4.619 1.00 0.00 O ATOM 0 H ASP A 49 1.692 5.685 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 49 1.037 7.790 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.272 6.673 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.467 7.358 -6.513 1.00 0.00 H new ATOM 746 N THR A 50 -0.116 9.194 -6.521 1.00 0.00 N ATOM 747 CA THR A 50 -0.644 10.198 -7.437 1.00 0.00 C ATOM 748 C THR A 50 -0.061 11.574 -7.140 1.00 0.00 C ATOM 749 O THR A 50 0.004 12.434 -8.019 1.00 0.00 O ATOM 750 CB THR A 50 -2.180 10.277 -7.364 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.580 10.671 -6.045 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.800 8.928 -7.696 1.00 0.00 C ATOM 0 H THR A 50 -0.761 8.919 -5.780 1.00 0.00 H new ATOM 0 HA THR A 50 -0.352 9.891 -8.441 1.00 0.00 H new ATOM 0 HB THR A 50 -2.525 11.013 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.851 10.493 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.886 9.003 -7.639 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.509 8.632 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.450 8.181 -6.983 1.00 0.00 H new ATOM 760 N ASP A 51 0.362 11.776 -5.897 1.00 0.00 N ATOM 761 CA ASP A 51 1.000 13.025 -5.498 1.00 0.00 C ATOM 762 C ASP A 51 2.479 13.029 -5.863 1.00 0.00 C ATOM 763 O ASP A 51 3.147 14.059 -5.776 1.00 0.00 O ATOM 764 CB ASP A 51 0.829 13.260 -3.995 1.00 0.00 C ATOM 765 CG ASP A 51 -0.586 13.631 -3.574 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.369 13.975 -4.429 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.920 13.420 -2.432 1.00 0.00 O ATOM 0 H ASP A 51 0.274 11.090 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 51 0.512 13.835 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.129 12.358 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.508 14.054 -3.684 1.00 0.00 H new ATOM 772 N LYS A 52 2.986 11.870 -6.270 1.00 0.00 N ATOM 773 CA LYS A 52 4.385 11.741 -6.662 1.00 0.00 C ATOM 774 C LYS A 52 5.314 12.222 -5.556 1.00 0.00 C ATOM 775 O LYS A 52 6.297 12.916 -5.815 1.00 0.00 O ATOM 776 CB LYS A 52 4.654 12.521 -7.950 1.00 0.00 C ATOM 777 CG LYS A 52 3.831 12.062 -9.147 1.00 0.00 C ATOM 778 CD LYS A 52 4.155 12.880 -10.388 1.00 0.00 C ATOM 779 CE LYS A 52 3.287 12.466 -11.567 1.00 0.00 C ATOM 780 NZ LYS A 52 3.535 13.313 -12.765 1.00 0.00 N ATOM 0 H LYS A 52 2.448 11.006 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 52 4.585 10.684 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.453 13.577 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.712 12.436 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.027 11.008 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.769 12.152 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.005 13.939 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.206 12.752 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.484 11.423 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.236 12.534 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.924 12.998 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.323 14.306 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.532 13.228 -13.050 1.00 0.00 H new ATOM 794 N ASN A 53 4.998 11.847 -4.320 1.00 0.00 N ATOM 795 CA ASN A 53 5.776 12.280 -3.166 1.00 0.00 C ATOM 796 C ASN A 53 6.773 11.210 -2.741 1.00 0.00 C ATOM 797 O ASN A 53 7.532 11.398 -1.790 1.00 0.00 O ATOM 798 CB ASN A 53 4.879 12.653 -1.999 1.00 0.00 C ATOM 799 CG ASN A 53 4.101 13.921 -2.216 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.529 14.819 -2.951 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.001 14.036 -1.517 1.00 0.00 N ATOM 0 H ASN A 53 4.208 11.244 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 53 6.330 13.169 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.181 11.836 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.490 12.761 -1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.454 14.896 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.690 13.266 -0.925 1.00 0.00 H new ATOM 808 N GLY A 54 6.768 10.088 -3.452 1.00 0.00 N ATOM 809 CA GLY A 54 7.616 8.954 -3.103 1.00 0.00 C ATOM 810 C GLY A 54 6.984 8.113 -2.001 1.00 0.00 C ATOM 811 O GLY A 54 7.684 7.535 -1.169 1.00 0.00 O ATOM 0 H GLY A 54 6.185 9.939 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.783 8.336 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.592 9.313 -2.776 1.00 0.00 H new ATOM 815 N ARG A 55 5.657 8.046 -2.003 1.00 0.00 N ATOM 816 CA ARG A 55 4.919 7.432 -0.904 1.00 0.00 C ATOM 817 C ARG A 55 3.439 7.303 -1.238 1.00 0.00 C ATOM 818 O ARG A 55 2.919 8.031 -2.084 1.00 0.00 O ATOM 819 CB ARG A 55 5.133 8.166 0.411 1.00 0.00 C ATOM 820 CG ARG A 55 4.616 9.596 0.437 1.00 0.00 C ATOM 821 CD ARG A 55 4.838 10.305 1.723 1.00 0.00 C ATOM 822 NE ARG A 55 4.508 11.720 1.696 1.00 0.00 N ATOM 823 CZ ARG A 55 3.275 12.222 1.901 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.247 11.429 2.111 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.120 13.534 1.862 1.00 0.00 N ATOM 0 H ARG A 55 5.070 8.409 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 55 5.319 6.427 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.645 7.604 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.200 8.176 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.099 10.159 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.548 9.587 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.243 9.821 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.884 10.194 2.009 1.00 0.00 H new ATOM 0 HE ARG A 55 5.263 12.379 1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.377 10.417 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.320 11.826 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.922 14.137 1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.198 13.943 2.013 1.00 0.00 H new ATOM 839 N ILE A 56 2.765 6.374 -0.569 1.00 0.00 N ATOM 840 CA ILE A 56 1.320 6.235 -0.697 1.00 0.00 C ATOM 841 C ILE A 56 0.602 6.784 0.529 1.00 0.00 C ATOM 842 O ILE A 56 0.742 6.252 1.630 1.00 0.00 O ATOM 843 CB ILE A 56 0.910 4.766 -0.907 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.508 4.225 -2.208 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.605 4.633 -0.917 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.318 2.737 -2.394 1.00 0.00 C ATOM 0 H ILE A 56 3.198 5.705 0.068 1.00 0.00 H new ATOM 0 HA ILE A 56 1.026 6.812 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 56 1.300 4.175 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.055 4.748 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.574 4.451 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.878 3.588 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.007 4.980 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.018 5.235 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.768 2.428 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.796 2.204 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.253 2.505 -2.407 1.00 0.00 H new ATOM 858 N ASP A 57 -0.166 7.849 0.332 1.00 0.00 N ATOM 859 CA ASP A 57 -0.899 8.479 1.424 1.00 0.00 C ATOM 860 C ASP A 57 -2.142 7.677 1.788 1.00 0.00 C ATOM 861 O ASP A 57 -2.469 6.689 1.132 1.00 0.00 O ATOM 862 CB ASP A 57 -1.287 9.912 1.054 1.00 0.00 C ATOM 863 CG ASP A 57 -1.425 10.854 2.242 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.351 10.389 3.355 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.445 12.043 2.034 1.00 0.00 O ATOM 0 H ASP A 57 -0.298 8.295 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.243 8.504 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.537 10.314 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.232 9.891 0.511 1.00 0.00 H new ATOM 870 N PHE A 58 -2.832 8.109 2.839 1.00 0.00 N ATOM 871 CA PHE A 58 -4.050 7.442 3.283 1.00 0.00 C ATOM 872 C PHE A 58 -5.120 7.472 2.200 1.00 0.00 C ATOM 873 O PHE A 58 -5.717 6.445 1.876 1.00 0.00 O ATOM 874 CB PHE A 58 -4.578 8.091 4.564 1.00 0.00 C ATOM 875 CG PHE A 58 -5.887 7.524 5.035 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.935 6.303 5.690 1.00 0.00 C ATOM 877 CD2 PHE A 58 -7.073 8.210 4.822 1.00 0.00 C ATOM 878 CE1 PHE A 58 -7.139 5.780 6.124 1.00 0.00 C ATOM 879 CE2 PHE A 58 -8.277 7.691 5.255 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.310 6.474 5.906 1.00 0.00 C ATOM 0 H PHE A 58 -2.568 8.919 3.399 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.805 6.400 3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.836 7.972 5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.696 9.162 4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.021 5.754 5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.055 9.161 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.162 4.828 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.193 8.237 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.251 6.066 6.244 1.00 0.00 H new ATOM 890 N ASP A 59 -5.358 8.654 1.643 1.00 0.00 N ATOM 891 CA ASP A 59 -6.330 8.813 0.568 1.00 0.00 C ATOM 892 C ASP A 59 -5.956 7.968 -0.643 1.00 0.00 C ATOM 893 O ASP A 59 -6.818 7.364 -1.282 1.00 0.00 O ATOM 894 CB ASP A 59 -6.449 10.284 0.166 1.00 0.00 C ATOM 895 CG ASP A 59 -7.179 11.156 1.178 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.791 10.615 2.068 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.992 12.349 1.149 1.00 0.00 O ATOM 0 H ASP A 59 -4.890 9.517 1.919 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.295 8.468 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.448 10.688 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.969 10.346 -0.790 1.00 0.00 H new ATOM 902 N GLU A 60 -4.665 7.928 -0.954 1.00 0.00 N ATOM 903 CA GLU A 60 -4.161 7.078 -2.027 1.00 0.00 C ATOM 904 C GLU A 60 -4.236 5.606 -1.645 1.00 0.00 C ATOM 905 O GLU A 60 -4.419 4.741 -2.501 1.00 0.00 O ATOM 906 CB GLU A 60 -2.720 7.456 -2.377 1.00 0.00 C ATOM 907 CG GLU A 60 -2.574 8.807 -3.064 1.00 0.00 C ATOM 908 CD GLU A 60 -1.137 9.247 -3.104 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.328 8.629 -2.455 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.828 10.129 -3.870 1.00 0.00 O ATOM 0 H GLU A 60 -3.948 8.475 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.792 7.236 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.126 7.461 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.302 6.685 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.966 8.745 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.170 9.552 -2.537 1.00 0.00 H new ATOM 917 N PHE A 61 -4.096 5.327 -0.353 1.00 0.00 N ATOM 918 CA PHE A 61 -4.191 3.962 0.151 1.00 0.00 C ATOM 919 C PHE A 61 -5.590 3.394 -0.056 1.00 0.00 C ATOM 920 O PHE A 61 -5.750 2.237 -0.444 1.00 0.00 O ATOM 921 CB PHE A 61 -3.816 3.912 1.633 1.00 0.00 C ATOM 922 CG PHE A 61 -3.915 2.539 2.237 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.861 1.644 2.136 1.00 0.00 C ATOM 924 CD2 PHE A 61 -5.062 2.141 2.906 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.950 0.382 2.692 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.154 0.880 3.463 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.097 0.000 3.355 1.00 0.00 C ATOM 0 H PHE A 61 -3.916 6.029 0.365 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.488 3.348 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.797 4.279 1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.466 4.590 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.960 1.936 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.894 2.825 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.121 -0.305 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.053 0.583 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.168 -0.986 3.789 1.00 0.00 H new ATOM 937 N LEU A 62 -6.600 4.216 0.207 1.00 0.00 N ATOM 938 CA LEU A 62 -7.988 3.791 0.069 1.00 0.00 C ATOM 939 C LEU A 62 -8.296 3.369 -1.362 1.00 0.00 C ATOM 940 O LEU A 62 -9.004 2.389 -1.592 1.00 0.00 O ATOM 941 CB LEU A 62 -8.933 4.918 0.507 1.00 0.00 C ATOM 942 CG LEU A 62 -9.436 4.822 1.953 1.00 0.00 C ATOM 943 CD1 LEU A 62 -8.318 4.332 2.863 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.945 6.182 2.406 1.00 0.00 C ATOM 0 H LEU A 62 -6.483 5.181 0.517 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.143 2.927 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.420 5.871 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.794 4.929 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.256 4.106 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.685 4.267 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.986 3.348 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.482 5.030 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.302 6.113 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.136 6.910 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.762 6.499 1.758 1.00 0.00 H new ATOM 956 N LYS A 63 -7.758 4.115 -2.322 1.00 0.00 N ATOM 957 CA LYS A 63 -7.973 3.817 -3.733 1.00 0.00 C ATOM 958 C LYS A 63 -7.032 2.720 -4.214 1.00 0.00 C ATOM 959 O LYS A 63 -7.347 1.983 -5.149 1.00 0.00 O ATOM 960 CB LYS A 63 -7.789 5.077 -4.580 1.00 0.00 C ATOM 961 CG LYS A 63 -8.850 6.146 -4.356 1.00 0.00 C ATOM 962 CD LYS A 63 -8.611 7.357 -5.246 1.00 0.00 C ATOM 963 CE LYS A 63 -9.675 8.423 -5.029 1.00 0.00 C ATOM 964 NZ LYS A 63 -9.463 9.608 -5.903 1.00 0.00 N ATOM 0 H LYS A 63 -7.170 4.930 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.997 3.461 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.809 5.504 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.791 4.796 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.837 5.731 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.844 6.454 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.626 7.775 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.611 7.048 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.659 7.998 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.667 8.736 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.209 10.310 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.535 10.029 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.497 9.314 -6.900 1.00 0.00 H new ATOM 978 N MET A 64 -5.873 2.616 -3.570 1.00 0.00 N ATOM 979 CA MET A 64 -4.907 1.575 -3.895 1.00 0.00 C ATOM 980 C MET A 64 -5.453 0.193 -3.561 1.00 0.00 C ATOM 981 O MET A 64 -5.290 -0.752 -4.333 1.00 0.00 O ATOM 982 CB MET A 64 -3.597 1.820 -3.150 1.00 0.00 C ATOM 983 CG MET A 64 -2.533 0.756 -3.379 1.00 0.00 C ATOM 984 SD MET A 64 -2.727 -0.668 -2.290 1.00 0.00 S ATOM 985 CE MET A 64 -2.156 0.013 -0.736 1.00 0.00 C ATOM 0 H MET A 64 -5.581 3.242 -2.819 1.00 0.00 H new ATOM 0 HA MET A 64 -4.718 1.612 -4.968 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.197 2.787 -3.453 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.807 1.882 -2.082 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.575 0.423 -4.416 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.547 1.195 -3.225 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.216 -0.750 0.040 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.123 0.343 -0.841 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.782 0.862 -0.459 1.00 0.00 H new ATOM 995 N MET A 65 -6.101 0.081 -2.407 1.00 0.00 N ATOM 996 CA MET A 65 -6.592 -1.204 -1.925 1.00 0.00 C ATOM 997 C MET A 65 -7.771 -1.690 -2.757 1.00 0.00 C ATOM 998 O MET A 65 -8.164 -2.855 -2.674 1.00 0.00 O ATOM 999 CB MET A 65 -6.991 -1.098 -0.454 1.00 0.00 C ATOM 1000 CG MET A 65 -5.821 -0.937 0.506 1.00 0.00 C ATOM 1001 SD MET A 65 -4.689 -2.341 0.465 1.00 0.00 S ATOM 1002 CE MET A 65 -5.703 -3.615 1.209 1.00 0.00 C ATOM 0 H MET A 65 -6.299 0.866 -1.787 1.00 0.00 H new ATOM 0 HA MET A 65 -5.787 -1.932 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.664 -0.249 -0.333 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.552 -1.991 -0.177 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.274 -0.027 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.202 -0.812 1.519 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.077 -4.465 1.482 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.188 -3.219 2.102 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.462 -3.938 0.497 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.333 -0.792 -3.559 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.355 -1.166 -4.530 1.00 0.00 C ATOM 1014 C GLU A 66 -8.748 -1.915 -5.709 1.00 0.00 C ATOM 1015 O GLU A 66 -9.387 -2.786 -6.300 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.104 0.074 -5.022 1.00 0.00 C ATOM 1017 CG GLU A 66 -10.989 0.733 -3.974 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.616 1.993 -4.502 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.324 2.359 -5.615 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.471 2.530 -3.837 1.00 0.00 O ATOM 0 H GLU A 66 -8.098 0.201 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.060 -1.831 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.377 0.805 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.720 -0.205 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.770 0.038 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.397 0.962 -3.088 1.00 0.00 H new