USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 43 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.08) USER MOD Single : A 44 MET CE :methyl -173:sc= 0 (180deg=-0.0621) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -30:sc= -0.466 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 157:sc= -0.0162 (180deg=-0.703) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.34) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0693 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.03) USER MOD Single : A 67 SER OG : rot 122:sc= 1.24 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.54) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.55) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00828 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -4.181 -24.259 -9.678 1.00 34.40 N ATOM 2 CA GLY A 41 -5.628 -24.200 -9.589 1.00 32.54 C ATOM 3 C GLY A 41 -6.112 -23.022 -8.767 1.00 63.41 C ATOM 4 O GLY A 41 -6.637 -22.043 -9.296 1.00 75.34 O ATOM 0 HA2 GLY A 41 -6.048 -24.135 -10.593 1.00 32.54 H new ATOM 0 HA3 GLY A 41 -5.999 -25.124 -9.147 1.00 32.54 H new ATOM 8 N PRO A 42 -5.936 -23.110 -7.440 1.00 4.52 N ATOM 9 CA PRO A 42 -6.351 -22.051 -6.516 1.00 13.24 C ATOM 10 C PRO A 42 -5.494 -20.796 -6.646 1.00 32.35 C ATOM 11 O PRO A 42 -4.451 -20.675 -6.001 1.00 73.43 O ATOM 12 CB PRO A 42 -6.160 -22.688 -5.136 1.00 63.34 C ATOM 13 CG PRO A 42 -5.115 -23.729 -5.343 1.00 64.10 C ATOM 14 CD PRO A 42 -5.315 -24.247 -6.741 1.00 41.20 C ATOM 0 HA PRO A 42 -7.371 -21.719 -6.711 1.00 13.24 H new ATOM 0 HB2 PRO A 42 -5.843 -21.950 -4.399 1.00 63.34 H new ATOM 0 HB3 PRO A 42 -7.089 -23.126 -4.770 1.00 63.34 H new ATOM 0 HG2 PRO A 42 -4.117 -23.309 -5.222 1.00 64.10 H new ATOM 0 HG3 PRO A 42 -5.214 -24.531 -4.612 1.00 64.10 H new ATOM 0 HD2 PRO A 42 -4.370 -24.535 -7.202 1.00 41.20 H new ATOM 0 HD3 PRO A 42 -5.958 -25.127 -6.755 1.00 41.20 H new ATOM 22 N HIS A 43 -5.940 -19.864 -7.483 1.00 23.43 N ATOM 23 CA HIS A 43 -5.213 -18.619 -7.696 1.00 55.53 C ATOM 24 C HIS A 43 -5.440 -17.651 -6.538 1.00 60.44 C ATOM 25 O HIS A 43 -6.436 -16.928 -6.507 1.00 65.53 O ATOM 26 CB HIS A 43 -5.647 -17.969 -9.011 1.00 11.12 C ATOM 27 CG HIS A 43 -4.977 -16.657 -9.282 1.00 24.42 C ATOM 28 ND1 HIS A 43 -5.456 -15.742 -10.194 1.00 50.43 N ATOM 29 CD2 HIS A 43 -3.859 -16.108 -8.751 1.00 30.53 C ATOM 30 CE1 HIS A 43 -4.660 -14.688 -10.216 1.00 11.34 C ATOM 31 NE2 HIS A 43 -3.684 -14.885 -9.348 1.00 44.34 N ATOM 0 H HIS A 43 -6.801 -19.948 -8.024 1.00 23.43 H new ATOM 0 HA HIS A 43 -4.150 -18.853 -7.748 1.00 55.53 H new ATOM 0 HB2 HIS A 43 -5.433 -18.653 -9.832 1.00 11.12 H new ATOM 0 HB3 HIS A 43 -6.727 -17.819 -8.994 1.00 11.12 H new ATOM 0 HD2 HIS A 43 -3.224 -16.550 -7.998 1.00 30.53 H new ATOM 0 HE1 HIS A 43 -4.786 -13.814 -10.838 1.00 11.34 H new ATOM 0 HE2 HIS A 43 -2.924 -14.234 -9.153 1.00 44.34 H new ATOM 40 N MET A 44 -4.512 -17.645 -5.588 1.00 4.21 N ATOM 41 CA MET A 44 -4.611 -16.766 -4.429 1.00 33.32 C ATOM 42 C MET A 44 -3.965 -15.415 -4.714 1.00 40.22 C ATOM 43 O MET A 44 -3.057 -15.310 -5.540 1.00 33.43 O ATOM 44 CB MET A 44 -3.948 -17.415 -3.211 1.00 70.43 C ATOM 45 CG MET A 44 -4.706 -18.620 -2.678 1.00 64.21 C ATOM 46 SD MET A 44 -4.151 -19.117 -1.036 1.00 30.13 S ATOM 47 CE MET A 44 -2.485 -19.669 -1.395 1.00 63.51 C ATOM 0 H MET A 44 -3.683 -18.239 -5.598 1.00 4.21 H new ATOM 0 HA MET A 44 -5.668 -16.605 -4.216 1.00 33.32 H new ATOM 0 HB2 MET A 44 -2.936 -17.721 -3.478 1.00 70.43 H new ATOM 0 HB3 MET A 44 -3.858 -16.673 -2.418 1.00 70.43 H new ATOM 0 HG2 MET A 44 -5.771 -18.389 -2.643 1.00 64.21 H new ATOM 0 HG3 MET A 44 -4.584 -19.456 -3.367 1.00 64.21 H new ATOM 0 HE1 MET A 44 -2.052 -20.123 -0.504 1.00 63.51 H new ATOM 0 HE2 MET A 44 -2.511 -20.403 -2.200 1.00 63.51 H new ATOM 0 HE3 MET A 44 -1.877 -18.817 -1.700 1.00 63.51 H new ATOM 57 N THR A 45 -4.438 -14.380 -4.026 1.00 0.22 N ATOM 58 CA THR A 45 -3.908 -13.035 -4.206 1.00 25.01 C ATOM 59 C THR A 45 -2.868 -12.706 -3.141 1.00 31.34 C ATOM 60 O THR A 45 -3.171 -12.694 -1.948 1.00 4.42 O ATOM 61 CB THR A 45 -5.028 -11.978 -4.158 1.00 5.23 C ATOM 62 OG1 THR A 45 -5.977 -12.223 -5.200 1.00 74.15 O ATOM 63 CG2 THR A 45 -4.455 -10.576 -4.306 1.00 41.33 C ATOM 0 H THR A 45 -5.188 -14.449 -3.338 1.00 0.22 H new ATOM 0 HA THR A 45 -3.437 -13.010 -5.189 1.00 25.01 H new ATOM 0 HB THR A 45 -5.525 -12.050 -3.191 1.00 5.23 H new ATOM 0 HG1 THR A 45 -6.686 -11.548 -5.162 1.00 74.15 H new ATOM 0 HG21 THR A 45 -5.264 -9.847 -4.269 1.00 41.33 H new ATOM 0 HG22 THR A 45 -3.754 -10.382 -3.494 1.00 41.33 H new ATOM 0 HG23 THR A 45 -3.936 -10.494 -5.261 1.00 41.33 H new ATOM 71 N SER A 46 -1.642 -12.440 -3.579 1.00 2.33 N ATOM 72 CA SER A 46 -0.555 -12.114 -2.662 1.00 55.44 C ATOM 73 C SER A 46 -0.890 -10.868 -1.846 1.00 43.04 C ATOM 74 O SER A 46 -1.165 -9.806 -2.402 1.00 51.42 O ATOM 75 CB SER A 46 0.746 -11.897 -3.436 1.00 13.11 C ATOM 76 OG SER A 46 1.871 -12.250 -2.650 1.00 71.30 O ATOM 0 H SER A 46 -1.376 -12.444 -4.564 1.00 2.33 H new ATOM 0 HA SER A 46 -0.425 -12.952 -1.977 1.00 55.44 H new ATOM 0 HB2 SER A 46 0.734 -12.493 -4.348 1.00 13.11 H new ATOM 0 HB3 SER A 46 0.823 -10.853 -3.739 1.00 13.11 H new ATOM 0 HG SER A 46 1.670 -12.096 -1.703 1.00 71.30 H new ATOM 82 N GLU A 47 -0.861 -11.010 -0.525 1.00 51.41 N ATOM 83 CA GLU A 47 -1.162 -9.896 0.368 1.00 64.05 C ATOM 84 C GLU A 47 -0.310 -8.677 0.023 1.00 21.00 C ATOM 85 O GLU A 47 -0.774 -7.539 0.101 1.00 40.20 O ATOM 86 CB GLU A 47 -0.925 -10.302 1.824 1.00 45.21 C ATOM 87 CG GLU A 47 -2.131 -10.955 2.478 1.00 44.10 C ATOM 88 CD GLU A 47 -2.316 -12.398 2.051 1.00 54.42 C ATOM 89 OE1 GLU A 47 -1.808 -13.295 2.756 1.00 35.01 O ATOM 90 OE2 GLU A 47 -2.970 -12.630 1.011 1.00 1.25 O ATOM 0 H GLU A 47 -0.633 -11.883 -0.050 1.00 51.41 H new ATOM 0 HA GLU A 47 -2.212 -9.633 0.238 1.00 64.05 H new ATOM 0 HB2 GLU A 47 -0.081 -10.991 1.868 1.00 45.21 H new ATOM 0 HB3 GLU A 47 -0.645 -9.418 2.398 1.00 45.21 H new ATOM 0 HG2 GLU A 47 -2.020 -10.912 3.561 1.00 44.10 H new ATOM 0 HG3 GLU A 47 -3.027 -10.388 2.227 1.00 44.10 H new ATOM 98 N LEU A 48 0.938 -8.924 -0.357 1.00 24.20 N ATOM 99 CA LEU A 48 1.857 -7.848 -0.713 1.00 70.15 C ATOM 100 C LEU A 48 1.386 -7.123 -1.970 1.00 33.52 C ATOM 101 O LEU A 48 1.534 -5.907 -2.088 1.00 35.43 O ATOM 102 CB LEU A 48 3.266 -8.404 -0.930 1.00 31.12 C ATOM 103 CG LEU A 48 3.381 -9.582 -1.898 1.00 41.21 C ATOM 104 CD1 LEU A 48 3.718 -9.092 -3.298 1.00 21.12 C ATOM 105 CD2 LEU A 48 4.428 -10.572 -1.411 1.00 24.52 C ATOM 0 H LEU A 48 1.338 -9.860 -0.427 1.00 24.20 H new ATOM 0 HA LEU A 48 1.877 -7.134 0.111 1.00 70.15 H new ATOM 0 HB2 LEU A 48 3.901 -7.597 -1.295 1.00 31.12 H new ATOM 0 HB3 LEU A 48 3.666 -8.713 0.036 1.00 31.12 H new ATOM 0 HG LEU A 48 2.418 -10.091 -1.936 1.00 41.21 H new ATOM 0 HD11 LEU A 48 3.796 -9.944 -3.973 1.00 21.12 H new ATOM 0 HD12 LEU A 48 2.932 -8.422 -3.648 1.00 21.12 H new ATOM 0 HD13 LEU A 48 4.668 -8.558 -3.278 1.00 21.12 H new ATOM 0 HD21 LEU A 48 4.496 -11.404 -2.112 1.00 24.52 H new ATOM 0 HD22 LEU A 48 5.395 -10.074 -1.343 1.00 24.52 H new ATOM 0 HD23 LEU A 48 4.144 -10.948 -0.428 1.00 24.52 H new ATOM 117 N GLN A 49 0.815 -7.878 -2.904 1.00 25.54 N ATOM 118 CA GLN A 49 0.320 -7.307 -4.150 1.00 13.34 C ATOM 119 C GLN A 49 -1.023 -6.616 -3.937 1.00 43.12 C ATOM 120 O GLN A 49 -1.331 -5.622 -4.592 1.00 42.34 O ATOM 121 CB GLN A 49 0.184 -8.396 -5.217 1.00 11.55 C ATOM 122 CG GLN A 49 1.443 -8.598 -6.042 1.00 63.25 C ATOM 123 CD GLN A 49 1.568 -7.595 -7.172 1.00 3.52 C ATOM 124 OE1 GLN A 49 0.920 -7.727 -8.211 1.00 61.42 O ATOM 125 NE2 GLN A 49 2.403 -6.581 -6.975 1.00 63.31 N ATOM 0 H GLN A 49 0.684 -8.886 -2.821 1.00 25.54 H new ATOM 0 HA GLN A 49 1.040 -6.563 -4.490 1.00 13.34 H new ATOM 0 HB2 GLN A 49 -0.078 -9.337 -4.733 1.00 11.55 H new ATOM 0 HB3 GLN A 49 -0.640 -8.140 -5.883 1.00 11.55 H new ATOM 0 HG2 GLN A 49 2.315 -8.518 -5.393 1.00 63.25 H new ATOM 0 HG3 GLN A 49 1.444 -9.607 -6.455 1.00 63.25 H new ATOM 0 HE21 GLN A 49 2.921 -6.509 -6.099 1.00 63.31 H new ATOM 0 HE22 GLN A 49 2.526 -5.874 -7.700 1.00 63.31 H new ATOM 134 N MET A 50 -1.818 -7.151 -3.016 1.00 73.22 N ATOM 135 CA MET A 50 -3.129 -6.586 -2.717 1.00 4.44 C ATOM 136 C MET A 50 -2.991 -5.256 -1.981 1.00 53.35 C ATOM 137 O MET A 50 -3.818 -4.358 -2.141 1.00 52.34 O ATOM 138 CB MET A 50 -3.950 -7.564 -1.875 1.00 70.31 C ATOM 139 CG MET A 50 -5.340 -7.053 -1.533 1.00 12.24 C ATOM 140 SD MET A 50 -6.562 -8.375 -1.438 1.00 15.24 S ATOM 141 CE MET A 50 -5.676 -9.585 -0.460 1.00 31.03 C ATOM 0 H MET A 50 -1.578 -7.974 -2.464 1.00 73.22 H new ATOM 0 HA MET A 50 -3.645 -6.409 -3.661 1.00 4.44 H new ATOM 0 HB2 MET A 50 -4.041 -8.507 -2.414 1.00 70.31 H new ATOM 0 HB3 MET A 50 -3.412 -7.776 -0.951 1.00 70.31 H new ATOM 0 HG2 MET A 50 -5.305 -6.527 -0.579 1.00 12.24 H new ATOM 0 HG3 MET A 50 -5.652 -6.329 -2.285 1.00 12.24 H new ATOM 0 HE1 MET A 50 -6.388 -10.252 0.026 1.00 31.03 H new ATOM 0 HE2 MET A 50 -5.019 -10.165 -1.107 1.00 31.03 H new ATOM 0 HE3 MET A 50 -5.081 -9.075 0.298 1.00 31.03 H new ATOM 151 N LYS A 51 -1.941 -5.136 -1.175 1.00 32.31 N ATOM 152 CA LYS A 51 -1.694 -3.917 -0.416 1.00 14.53 C ATOM 153 C LYS A 51 -1.624 -2.705 -1.340 1.00 0.04 C ATOM 154 O LYS A 51 -2.112 -1.626 -1.004 1.00 34.10 O ATOM 155 CB LYS A 51 -0.392 -4.041 0.380 1.00 53.15 C ATOM 156 CG LYS A 51 -0.585 -4.609 1.775 1.00 43.41 C ATOM 157 CD LYS A 51 0.665 -4.438 2.624 1.00 53.44 C ATOM 158 CE LYS A 51 0.689 -5.421 3.784 1.00 11.45 C ATOM 159 NZ LYS A 51 1.680 -5.027 4.824 1.00 51.14 N ATOM 0 H LYS A 51 -1.247 -5.870 -1.031 1.00 32.31 H new ATOM 0 HA LYS A 51 -2.524 -3.776 0.277 1.00 14.53 H new ATOM 0 HB2 LYS A 51 0.301 -4.678 -0.170 1.00 53.15 H new ATOM 0 HB3 LYS A 51 0.072 -3.058 0.458 1.00 53.15 H new ATOM 0 HG2 LYS A 51 -1.426 -4.111 2.259 1.00 43.41 H new ATOM 0 HG3 LYS A 51 -0.838 -5.667 1.706 1.00 43.41 H new ATOM 0 HD2 LYS A 51 1.550 -4.583 2.004 1.00 53.44 H new ATOM 0 HD3 LYS A 51 0.709 -3.419 3.008 1.00 53.44 H new ATOM 0 HE2 LYS A 51 -0.303 -5.479 4.231 1.00 11.45 H new ATOM 0 HE3 LYS A 51 0.930 -6.417 3.411 1.00 11.45 H new ATOM 0 HZ1 LYS A 51 1.942 -5.861 5.387 1.00 51.14 H new ATOM 0 HZ2 LYS A 51 2.528 -4.638 4.365 1.00 51.14 H new ATOM 0 HZ3 LYS A 51 1.262 -4.307 5.447 1.00 51.14 H new ATOM 173 N VAL A 52 -1.014 -2.890 -2.507 1.00 22.45 N ATOM 174 CA VAL A 52 -0.882 -1.813 -3.480 1.00 61.43 C ATOM 175 C VAL A 52 -2.139 -1.689 -4.335 1.00 4.43 C ATOM 176 O VAL A 52 -2.710 -0.606 -4.461 1.00 35.03 O ATOM 177 CB VAL A 52 0.332 -2.036 -4.402 1.00 3.13 C ATOM 178 CG1 VAL A 52 0.565 -0.816 -5.281 1.00 3.13 C ATOM 179 CG2 VAL A 52 1.572 -2.357 -3.580 1.00 53.54 C ATOM 0 H VAL A 52 -0.604 -3.776 -2.801 1.00 22.45 H new ATOM 0 HA VAL A 52 -0.737 -0.892 -2.916 1.00 61.43 H new ATOM 0 HB VAL A 52 0.124 -2.887 -5.051 1.00 3.13 H new ATOM 0 HG11 VAL A 52 1.426 -0.991 -5.926 1.00 3.13 H new ATOM 0 HG12 VAL A 52 -0.317 -0.636 -5.895 1.00 3.13 H new ATOM 0 HG13 VAL A 52 0.753 0.055 -4.653 1.00 3.13 H new ATOM 0 HG21 VAL A 52 2.420 -2.512 -4.247 1.00 53.54 H new ATOM 0 HG22 VAL A 52 1.787 -1.528 -2.906 1.00 53.54 H new ATOM 0 HG23 VAL A 52 1.398 -3.262 -2.998 1.00 53.54 H new ATOM 189 N ASP A 53 -2.563 -2.804 -4.919 1.00 15.04 N ATOM 190 CA ASP A 53 -3.753 -2.820 -5.761 1.00 12.23 C ATOM 191 C ASP A 53 -4.941 -2.195 -5.036 1.00 2.15 C ATOM 192 O ASP A 53 -5.835 -1.627 -5.662 1.00 15.53 O ATOM 193 CB ASP A 53 -4.091 -4.253 -6.177 1.00 45.41 C ATOM 194 CG ASP A 53 -4.904 -4.308 -7.454 1.00 55.13 C ATOM 195 OD1 ASP A 53 -5.725 -3.394 -7.676 1.00 42.52 O ATOM 196 OD2 ASP A 53 -4.719 -5.266 -8.234 1.00 33.23 O ATOM 0 H ASP A 53 -2.101 -3.708 -4.825 1.00 15.04 H new ATOM 0 HA ASP A 53 -3.543 -2.230 -6.653 1.00 12.23 H new ATOM 0 HB2 ASP A 53 -3.168 -4.816 -6.313 1.00 45.41 H new ATOM 0 HB3 ASP A 53 -4.646 -4.740 -5.375 1.00 45.41 H new ATOM 202 N PHE A 54 -4.943 -2.304 -3.711 1.00 20.40 N ATOM 203 CA PHE A 54 -6.021 -1.752 -2.900 1.00 54.00 C ATOM 204 C PHE A 54 -6.071 -0.232 -3.022 1.00 63.12 C ATOM 205 O PHE A 54 -6.966 0.322 -3.660 1.00 44.53 O ATOM 206 CB PHE A 54 -5.842 -2.152 -1.434 1.00 4.31 C ATOM 207 CG PHE A 54 -6.924 -1.630 -0.533 1.00 12.50 C ATOM 208 CD1 PHE A 54 -8.077 -2.366 -0.314 1.00 11.41 C ATOM 209 CD2 PHE A 54 -6.789 -0.401 0.095 1.00 61.41 C ATOM 210 CE1 PHE A 54 -9.075 -1.888 0.515 1.00 52.13 C ATOM 211 CE2 PHE A 54 -7.783 0.081 0.925 1.00 44.43 C ATOM 212 CZ PHE A 54 -8.928 -0.663 1.133 1.00 11.34 C ATOM 0 H PHE A 54 -4.210 -2.770 -3.177 1.00 20.40 H new ATOM 0 HA PHE A 54 -6.963 -2.159 -3.268 1.00 54.00 H new ATOM 0 HB2 PHE A 54 -5.815 -3.239 -1.363 1.00 4.31 H new ATOM 0 HB3 PHE A 54 -4.878 -1.785 -1.081 1.00 4.31 H new ATOM 0 HD1 PHE A 54 -8.198 -3.325 -0.797 1.00 11.41 H new ATOM 0 HD2 PHE A 54 -5.897 0.186 -0.066 1.00 61.41 H new ATOM 0 HE1 PHE A 54 -9.968 -2.473 0.679 1.00 52.13 H new ATOM 0 HE2 PHE A 54 -7.665 1.038 1.411 1.00 44.43 H new ATOM 0 HZ PHE A 54 -9.707 -0.286 1.779 1.00 11.34 H new ATOM 222 N PHE A 55 -5.101 0.437 -2.406 1.00 73.23 N ATOM 223 CA PHE A 55 -5.033 1.893 -2.444 1.00 31.03 C ATOM 224 C PHE A 55 -5.029 2.400 -3.884 1.00 11.44 C ATOM 225 O PHE A 55 -5.430 3.532 -4.155 1.00 22.23 O ATOM 226 CB PHE A 55 -3.782 2.386 -1.714 1.00 64.34 C ATOM 227 CG PHE A 55 -3.953 2.476 -0.225 1.00 11.43 C ATOM 228 CD1 PHE A 55 -3.685 1.385 0.584 1.00 22.44 C ATOM 229 CD2 PHE A 55 -4.384 3.654 0.365 1.00 23.14 C ATOM 230 CE1 PHE A 55 -3.841 1.466 1.956 1.00 73.02 C ATOM 231 CE2 PHE A 55 -4.541 3.741 1.736 1.00 1.21 C ATOM 232 CZ PHE A 55 -4.271 2.645 2.532 1.00 44.13 C ATOM 0 H PHE A 55 -4.352 -0.006 -1.875 1.00 73.23 H new ATOM 0 HA PHE A 55 -5.917 2.286 -1.941 1.00 31.03 H new ATOM 0 HB2 PHE A 55 -2.953 1.714 -1.936 1.00 64.34 H new ATOM 0 HB3 PHE A 55 -3.509 3.368 -2.100 1.00 64.34 H new ATOM 0 HD1 PHE A 55 -3.350 0.460 0.139 1.00 22.44 H new ATOM 0 HD2 PHE A 55 -4.600 4.513 -0.253 1.00 23.14 H new ATOM 0 HE1 PHE A 55 -3.627 0.608 2.576 1.00 73.02 H new ATOM 0 HE2 PHE A 55 -4.875 4.665 2.184 1.00 1.21 H new ATOM 0 HZ PHE A 55 -4.396 2.710 3.603 1.00 44.13 H new ATOM 242 N ARG A 56 -4.574 1.554 -4.801 1.00 41.21 N ATOM 243 CA ARG A 56 -4.515 1.916 -6.212 1.00 14.00 C ATOM 244 C ARG A 56 -5.907 2.238 -6.748 1.00 62.31 C ATOM 245 O ARG A 56 -6.054 2.992 -7.710 1.00 60.12 O ATOM 246 CB ARG A 56 -3.894 0.780 -7.026 1.00 60.32 C ATOM 247 CG ARG A 56 -2.374 0.766 -6.991 1.00 32.13 C ATOM 248 CD ARG A 56 -1.781 1.296 -8.287 1.00 11.24 C ATOM 249 NE ARG A 56 -2.169 0.486 -9.438 1.00 31.00 N ATOM 250 CZ ARG A 56 -2.134 0.925 -10.691 1.00 24.20 C ATOM 251 NH1 ARG A 56 -1.729 2.160 -10.954 1.00 12.14 N ATOM 252 NH2 ARG A 56 -2.502 0.127 -11.685 1.00 44.05 N ATOM 0 H ARG A 56 -4.241 0.613 -4.593 1.00 41.21 H new ATOM 0 HA ARG A 56 -3.892 2.805 -6.308 1.00 14.00 H new ATOM 0 HB2 ARG A 56 -4.267 -0.172 -6.648 1.00 60.32 H new ATOM 0 HB3 ARG A 56 -4.224 0.863 -8.061 1.00 60.32 H new ATOM 0 HG2 ARG A 56 -2.023 1.371 -6.155 1.00 32.13 H new ATOM 0 HG3 ARG A 56 -2.022 -0.251 -6.818 1.00 32.13 H new ATOM 0 HD2 ARG A 56 -2.107 2.324 -8.441 1.00 11.24 H new ATOM 0 HD3 ARG A 56 -0.694 1.315 -8.207 1.00 11.24 H new ATOM 0 HE ARG A 56 -2.484 -0.470 -9.271 1.00 31.00 H new ATOM 0 HH11 ARG A 56 -1.443 2.776 -10.193 1.00 12.14 H new ATOM 0 HH12 ARG A 56 -1.703 2.494 -11.917 1.00 12.14 H new ATOM 0 HH21 ARG A 56 -2.812 -0.824 -11.487 1.00 44.05 H new ATOM 0 HH22 ARG A 56 -2.475 0.465 -12.647 1.00 44.05 H new ATOM 266 N LYS A 57 -6.926 1.662 -6.120 1.00 32.12 N ATOM 267 CA LYS A 57 -8.306 1.886 -6.533 1.00 12.54 C ATOM 268 C LYS A 57 -8.939 3.015 -5.724 1.00 22.41 C ATOM 269 O LYS A 57 -9.912 3.633 -6.156 1.00 43.44 O ATOM 270 CB LYS A 57 -9.125 0.605 -6.367 1.00 13.21 C ATOM 271 CG LYS A 57 -9.664 0.405 -4.961 1.00 21.53 C ATOM 272 CD LYS A 57 -9.635 -1.059 -4.555 1.00 50.31 C ATOM 273 CE LYS A 57 -10.486 -1.912 -5.483 1.00 40.22 C ATOM 274 NZ LYS A 57 -11.445 -2.765 -4.728 1.00 13.42 N ATOM 0 H LYS A 57 -6.822 1.036 -5.322 1.00 32.12 H new ATOM 0 HA LYS A 57 -8.302 2.173 -7.585 1.00 12.54 H new ATOM 0 HB2 LYS A 57 -9.960 0.624 -7.068 1.00 13.21 H new ATOM 0 HB3 LYS A 57 -8.504 -0.250 -6.634 1.00 13.21 H new ATOM 0 HG2 LYS A 57 -9.072 0.990 -4.257 1.00 21.53 H new ATOM 0 HG3 LYS A 57 -10.687 0.778 -4.906 1.00 21.53 H new ATOM 0 HD2 LYS A 57 -8.607 -1.421 -4.567 1.00 50.31 H new ATOM 0 HD3 LYS A 57 -9.996 -1.161 -3.532 1.00 50.31 H new ATOM 0 HE2 LYS A 57 -11.036 -1.266 -6.168 1.00 40.22 H new ATOM 0 HE3 LYS A 57 -9.839 -2.544 -6.091 1.00 40.22 H new ATOM 0 HZ1 LYS A 57 -12.006 -3.331 -5.396 1.00 13.42 H new ATOM 0 HZ2 LYS A 57 -10.920 -3.399 -4.093 1.00 13.42 H new ATOM 0 HZ3 LYS A 57 -12.080 -2.161 -4.167 1.00 13.42 H new ATOM 288 N LEU A 58 -8.379 3.279 -4.549 1.00 21.13 N ATOM 289 CA LEU A 58 -8.887 4.335 -3.678 1.00 72.25 C ATOM 290 C LEU A 58 -8.811 5.693 -4.370 1.00 31.53 C ATOM 291 O LEU A 58 -9.494 6.639 -3.979 1.00 73.44 O ATOM 292 CB LEU A 58 -8.095 4.371 -2.371 1.00 32.10 C ATOM 293 CG LEU A 58 -8.662 3.539 -1.220 1.00 23.15 C ATOM 294 CD1 LEU A 58 -9.994 4.108 -0.756 1.00 61.33 C ATOM 295 CD2 LEU A 58 -8.817 2.085 -1.639 1.00 25.25 C ATOM 0 H LEU A 58 -7.573 2.777 -4.177 1.00 21.13 H new ATOM 0 HA LEU A 58 -9.932 4.118 -3.456 1.00 72.25 H new ATOM 0 HB2 LEU A 58 -7.080 4.029 -2.575 1.00 32.10 H new ATOM 0 HB3 LEU A 58 -8.022 5.408 -2.042 1.00 32.10 H new ATOM 0 HG LEU A 58 -7.962 3.583 -0.386 1.00 23.15 H new ATOM 0 HD11 LEU A 58 -10.382 3.503 0.063 1.00 61.33 H new ATOM 0 HD12 LEU A 58 -9.853 5.133 -0.415 1.00 61.33 H new ATOM 0 HD13 LEU A 58 -10.703 4.096 -1.584 1.00 61.33 H new ATOM 0 HD21 LEU A 58 -9.222 1.508 -0.808 1.00 25.25 H new ATOM 0 HD22 LEU A 58 -9.496 2.022 -2.489 1.00 25.25 H new ATOM 0 HD23 LEU A 58 -7.844 1.682 -1.921 1.00 25.25 H new ATOM 307 N GLY A 59 -7.977 5.781 -5.401 1.00 72.31 N ATOM 308 CA GLY A 59 -7.829 7.026 -6.131 1.00 43.13 C ATOM 309 C GLY A 59 -6.436 7.612 -6.005 1.00 71.51 C ATOM 310 O GLY A 59 -6.232 8.803 -6.239 1.00 71.13 O ATOM 0 H GLY A 59 -7.401 5.012 -5.744 1.00 72.31 H new ATOM 0 HA2 GLY A 59 -8.054 6.855 -7.184 1.00 43.13 H new ATOM 0 HA3 GLY A 59 -8.558 7.748 -5.763 1.00 43.13 H new ATOM 314 N TYR A 60 -5.476 6.772 -5.632 1.00 11.42 N ATOM 315 CA TYR A 60 -4.096 7.215 -5.470 1.00 61.30 C ATOM 316 C TYR A 60 -3.261 6.852 -6.694 1.00 1.03 C ATOM 317 O TYR A 60 -3.760 6.247 -7.643 1.00 4.22 O ATOM 318 CB TYR A 60 -3.482 6.589 -4.216 1.00 34.11 C ATOM 319 CG TYR A 60 -3.926 7.251 -2.931 1.00 3.22 C ATOM 320 CD1 TYR A 60 -3.477 8.521 -2.590 1.00 53.24 C ATOM 321 CD2 TYR A 60 -4.791 6.605 -2.056 1.00 52.21 C ATOM 322 CE1 TYR A 60 -3.879 9.130 -1.416 1.00 64.52 C ATOM 323 CE2 TYR A 60 -5.199 7.206 -0.881 1.00 4.14 C ATOM 324 CZ TYR A 60 -4.740 8.469 -0.565 1.00 20.41 C ATOM 325 OH TYR A 60 -5.142 9.070 0.605 1.00 54.22 O ATOM 0 H TYR A 60 -5.628 5.782 -5.437 1.00 11.42 H new ATOM 0 HA TYR A 60 -4.099 8.300 -5.363 1.00 61.30 H new ATOM 0 HB2 TYR A 60 -3.746 5.532 -4.181 1.00 34.11 H new ATOM 0 HB3 TYR A 60 -2.396 6.644 -4.287 1.00 34.11 H new ATOM 0 HD1 TYR A 60 -2.802 9.041 -3.254 1.00 53.24 H new ATOM 0 HD2 TYR A 60 -5.150 5.616 -2.299 1.00 52.21 H new ATOM 0 HE1 TYR A 60 -3.521 10.118 -1.166 1.00 64.52 H new ATOM 0 HE2 TYR A 60 -5.873 6.691 -0.213 1.00 4.14 H new ATOM 0 HH TYR A 60 -5.748 8.471 1.089 1.00 54.22 H new ATOM 335 N SER A 61 -1.985 7.224 -6.663 1.00 12.10 N ATOM 336 CA SER A 61 -1.079 6.942 -7.771 1.00 32.43 C ATOM 337 C SER A 61 -0.149 5.782 -7.429 1.00 34.53 C ATOM 338 O SER A 61 0.326 5.665 -6.300 1.00 31.05 O ATOM 339 CB SER A 61 -0.257 8.186 -8.114 1.00 70.42 C ATOM 340 OG SER A 61 -0.957 9.370 -7.773 1.00 40.13 O ATOM 0 H SER A 61 -1.555 7.721 -5.883 1.00 12.10 H new ATOM 0 HA SER A 61 -1.679 6.661 -8.637 1.00 32.43 H new ATOM 0 HB2 SER A 61 0.694 8.156 -7.582 1.00 70.42 H new ATOM 0 HB3 SER A 61 -0.026 8.191 -9.179 1.00 70.42 H new ATOM 0 HG SER A 61 -0.410 10.151 -8.000 1.00 40.13 H new ATOM 346 N SER A 62 0.104 4.926 -8.414 1.00 24.43 N ATOM 347 CA SER A 62 0.974 3.772 -8.218 1.00 24.14 C ATOM 348 C SER A 62 2.342 4.205 -7.698 1.00 30.52 C ATOM 349 O SER A 62 2.889 3.597 -6.777 1.00 42.34 O ATOM 350 CB SER A 62 1.136 3.001 -9.529 1.00 60.50 C ATOM 351 OG SER A 62 1.024 3.864 -10.647 1.00 13.00 O ATOM 0 H SER A 62 -0.281 5.010 -9.355 1.00 24.43 H new ATOM 0 HA SER A 62 0.511 3.121 -7.476 1.00 24.14 H new ATOM 0 HB2 SER A 62 2.106 2.505 -9.545 1.00 60.50 H new ATOM 0 HB3 SER A 62 0.378 2.220 -9.591 1.00 60.50 H new ATOM 0 HG SER A 62 1.133 3.346 -11.472 1.00 13.00 H new ATOM 357 N SER A 63 2.889 5.259 -8.295 1.00 12.40 N ATOM 358 CA SER A 63 4.195 5.772 -7.896 1.00 71.51 C ATOM 359 C SER A 63 4.184 6.204 -6.433 1.00 55.33 C ATOM 360 O SER A 63 5.233 6.307 -5.798 1.00 55.41 O ATOM 361 CB SER A 63 4.597 6.949 -8.786 1.00 0.45 C ATOM 362 OG SER A 63 5.825 7.515 -8.360 1.00 33.33 O ATOM 0 H SER A 63 2.448 5.775 -9.057 1.00 12.40 H new ATOM 0 HA SER A 63 4.925 4.972 -8.014 1.00 71.51 H new ATOM 0 HB2 SER A 63 4.687 6.614 -9.819 1.00 0.45 H new ATOM 0 HB3 SER A 63 3.816 7.709 -8.764 1.00 0.45 H new ATOM 0 HG SER A 63 6.061 8.264 -8.946 1.00 33.33 H new ATOM 368 N GLU A 64 2.990 6.457 -5.906 1.00 20.21 N ATOM 369 CA GLU A 64 2.843 6.879 -4.518 1.00 14.54 C ATOM 370 C GLU A 64 2.736 5.672 -3.590 1.00 40.23 C ATOM 371 O GLU A 64 3.479 5.558 -2.614 1.00 43.04 O ATOM 372 CB GLU A 64 1.606 7.768 -4.360 1.00 63.40 C ATOM 373 CG GLU A 64 1.654 9.030 -5.204 1.00 51.35 C ATOM 374 CD GLU A 64 1.970 10.268 -4.387 1.00 31.51 C ATOM 375 OE1 GLU A 64 1.023 10.881 -3.851 1.00 3.15 O ATOM 376 OE2 GLU A 64 3.162 10.622 -4.283 1.00 23.13 O ATOM 0 H GLU A 64 2.112 6.377 -6.418 1.00 20.21 H new ATOM 0 HA GLU A 64 3.730 7.450 -4.243 1.00 14.54 H new ATOM 0 HB2 GLU A 64 0.719 7.194 -4.629 1.00 63.40 H new ATOM 0 HB3 GLU A 64 1.500 8.046 -3.311 1.00 63.40 H new ATOM 0 HG2 GLU A 64 2.406 8.912 -5.984 1.00 51.35 H new ATOM 0 HG3 GLU A 64 0.695 9.165 -5.704 1.00 51.35 H new ATOM 384 N ILE A 65 1.807 4.775 -3.901 1.00 34.33 N ATOM 385 CA ILE A 65 1.603 3.577 -3.096 1.00 1.33 C ATOM 386 C ILE A 65 2.818 2.658 -3.161 1.00 64.11 C ATOM 387 O ILE A 65 3.382 2.282 -2.132 1.00 54.05 O ATOM 388 CB ILE A 65 0.357 2.796 -3.553 1.00 72.43 C ATOM 389 CG1 ILE A 65 -0.892 3.673 -3.441 1.00 21.04 C ATOM 390 CG2 ILE A 65 0.196 1.526 -2.731 1.00 1.34 C ATOM 391 CD1 ILE A 65 -2.005 3.262 -4.378 1.00 1.04 C ATOM 0 H ILE A 65 1.184 4.855 -4.704 1.00 34.33 H new ATOM 0 HA ILE A 65 1.456 3.909 -2.068 1.00 1.33 H new ATOM 0 HB ILE A 65 0.487 2.514 -4.598 1.00 72.43 H new ATOM 0 HG12 ILE A 65 -1.260 3.638 -2.416 1.00 21.04 H new ATOM 0 HG13 ILE A 65 -0.619 4.708 -3.646 1.00 21.04 H new ATOM 0 HG21 ILE A 65 -0.689 0.985 -3.066 1.00 1.34 H new ATOM 0 HG22 ILE A 65 1.076 0.896 -2.859 1.00 1.34 H new ATOM 0 HG23 ILE A 65 0.085 1.786 -1.678 1.00 1.34 H new ATOM 0 HD11 ILE A 65 -2.858 3.927 -4.244 1.00 1.04 H new ATOM 0 HD12 ILE A 65 -1.655 3.324 -5.408 1.00 1.04 H new ATOM 0 HD13 ILE A 65 -2.306 2.238 -4.158 1.00 1.04 H new ATOM 403 N HIS A 66 3.218 2.300 -4.377 1.00 0.24 N ATOM 404 CA HIS A 66 4.369 1.426 -4.577 1.00 11.34 C ATOM 405 C HIS A 66 5.612 2.004 -3.908 1.00 51.33 C ATOM 406 O HIS A 66 6.534 1.271 -3.553 1.00 24.24 O ATOM 407 CB HIS A 66 4.626 1.221 -6.070 1.00 41.23 C ATOM 408 CG HIS A 66 5.006 -0.183 -6.425 1.00 30.32 C ATOM 409 ND1 HIS A 66 4.896 -0.693 -7.702 1.00 20.12 N ATOM 410 CD2 HIS A 66 5.499 -1.187 -5.663 1.00 24.34 C ATOM 411 CE1 HIS A 66 5.303 -1.950 -7.709 1.00 2.15 C ATOM 412 NE2 HIS A 66 5.674 -2.274 -6.483 1.00 64.12 N ATOM 0 H HIS A 66 2.763 2.601 -5.238 1.00 0.24 H new ATOM 0 HA HIS A 66 4.147 0.462 -4.119 1.00 11.34 H new ATOM 0 HB2 HIS A 66 3.730 1.498 -6.626 1.00 41.23 H new ATOM 0 HB3 HIS A 66 5.420 1.895 -6.389 1.00 41.23 H new ATOM 0 HD2 HIS A 66 5.715 -1.141 -4.606 1.00 24.34 H new ATOM 0 HE1 HIS A 66 5.328 -2.601 -8.570 1.00 2.15 H new ATOM 0 HE2 HIS A 66 6.032 -3.184 -6.193 1.00 64.12 H new ATOM 421 N SER A 67 5.631 3.322 -3.742 1.00 15.50 N ATOM 422 CA SER A 67 6.763 3.999 -3.120 1.00 53.53 C ATOM 423 C SER A 67 6.752 3.799 -1.608 1.00 3.13 C ATOM 424 O SER A 67 7.665 3.198 -1.043 1.00 24.33 O ATOM 425 CB SER A 67 6.734 5.494 -3.449 1.00 22.42 C ATOM 426 OG SER A 67 7.485 5.773 -4.617 1.00 23.22 O ATOM 0 H SER A 67 4.875 3.943 -4.030 1.00 15.50 H new ATOM 0 HA SER A 67 7.679 3.564 -3.520 1.00 53.53 H new ATOM 0 HB2 SER A 67 5.703 5.819 -3.589 1.00 22.42 H new ATOM 0 HB3 SER A 67 7.136 6.062 -2.610 1.00 22.42 H new ATOM 0 HG SER A 67 6.907 6.199 -5.284 1.00 23.22 H new ATOM 432 N VAL A 68 5.710 4.307 -0.958 1.00 11.32 N ATOM 433 CA VAL A 68 5.578 4.185 0.489 1.00 73.02 C ATOM 434 C VAL A 68 5.699 2.730 0.930 1.00 2.22 C ATOM 435 O VAL A 68 6.269 2.434 1.981 1.00 2.12 O ATOM 436 CB VAL A 68 4.231 4.748 0.980 1.00 1.11 C ATOM 437 CG1 VAL A 68 4.172 6.253 0.765 1.00 5.15 C ATOM 438 CG2 VAL A 68 3.075 4.055 0.274 1.00 24.03 C ATOM 0 H VAL A 68 4.945 4.807 -1.411 1.00 11.32 H new ATOM 0 HA VAL A 68 6.388 4.765 0.931 1.00 73.02 H new ATOM 0 HB VAL A 68 4.143 4.553 2.049 1.00 1.11 H new ATOM 0 HG11 VAL A 68 3.213 6.634 1.118 1.00 5.15 H new ATOM 0 HG12 VAL A 68 4.979 6.732 1.320 1.00 5.15 H new ATOM 0 HG13 VAL A 68 4.281 6.473 -0.297 1.00 5.15 H new ATOM 0 HG21 VAL A 68 2.131 4.465 0.633 1.00 24.03 H new ATOM 0 HG22 VAL A 68 3.156 4.217 -0.801 1.00 24.03 H new ATOM 0 HG23 VAL A 68 3.109 2.986 0.483 1.00 24.03 H new ATOM 448 N LEU A 69 5.159 1.825 0.122 1.00 41.24 N ATOM 449 CA LEU A 69 5.206 0.400 0.427 1.00 33.11 C ATOM 450 C LEU A 69 6.632 -0.131 0.330 1.00 4.12 C ATOM 451 O LEU A 69 6.992 -1.097 1.002 1.00 61.22 O ATOM 452 CB LEU A 69 4.295 -0.377 -0.525 1.00 53.43 C ATOM 453 CG LEU A 69 2.927 -0.775 0.031 1.00 65.30 C ATOM 454 CD1 LEU A 69 3.080 -1.820 1.125 1.00 21.11 C ATOM 455 CD2 LEU A 69 2.188 0.446 0.557 1.00 53.41 C ATOM 0 H LEU A 69 4.683 2.053 -0.751 1.00 41.24 H new ATOM 0 HA LEU A 69 4.855 0.262 1.450 1.00 33.11 H new ATOM 0 HB2 LEU A 69 4.140 0.225 -1.420 1.00 53.43 H new ATOM 0 HB3 LEU A 69 4.816 -1.282 -0.836 1.00 53.43 H new ATOM 0 HG LEU A 69 2.340 -1.208 -0.778 1.00 65.30 H new ATOM 0 HD11 LEU A 69 2.097 -2.091 1.509 1.00 21.11 H new ATOM 0 HD12 LEU A 69 3.567 -2.706 0.717 1.00 21.11 H new ATOM 0 HD13 LEU A 69 3.686 -1.413 1.935 1.00 21.11 H new ATOM 0 HD21 LEU A 69 1.217 0.143 0.948 1.00 53.41 H new ATOM 0 HD22 LEU A 69 2.771 0.910 1.353 1.00 53.41 H new ATOM 0 HD23 LEU A 69 2.045 1.162 -0.253 1.00 53.41 H new ATOM 467 N GLN A 70 7.441 0.510 -0.508 1.00 60.32 N ATOM 468 CA GLN A 70 8.829 0.103 -0.691 1.00 31.14 C ATOM 469 C GLN A 70 9.685 0.535 0.496 1.00 73.21 C ATOM 470 O GLN A 70 10.636 -0.151 0.873 1.00 52.15 O ATOM 471 CB GLN A 70 9.392 0.697 -1.983 1.00 14.43 C ATOM 472 CG GLN A 70 10.891 0.502 -2.142 1.00 34.13 C ATOM 473 CD GLN A 70 11.285 -0.961 -2.200 1.00 54.23 C ATOM 474 OE1 GLN A 70 10.494 -1.813 -2.607 1.00 14.02 O ATOM 475 NE2 GLN A 70 12.512 -1.261 -1.794 1.00 44.20 N ATOM 0 H GLN A 70 7.159 1.313 -1.070 1.00 60.32 H new ATOM 0 HA GLN A 70 8.855 -0.985 -0.758 1.00 31.14 H new ATOM 0 HB2 GLN A 70 8.883 0.243 -2.833 1.00 14.43 H new ATOM 0 HB3 GLN A 70 9.168 1.763 -2.010 1.00 14.43 H new ATOM 0 HG2 GLN A 70 11.224 1.001 -3.052 1.00 34.13 H new ATOM 0 HG3 GLN A 70 11.406 0.981 -1.309 1.00 34.13 H new ATOM 0 HE21 GLN A 70 13.135 -0.523 -1.464 1.00 44.20 H new ATOM 0 HE22 GLN A 70 12.833 -2.229 -1.812 1.00 44.20 H new ATOM 484 N LYS A 71 9.341 1.677 1.082 1.00 74.34 N ATOM 485 CA LYS A 71 10.075 2.201 2.227 1.00 10.00 C ATOM 486 C LYS A 71 9.567 1.587 3.528 1.00 60.24 C ATOM 487 O LYS A 71 10.323 1.427 4.487 1.00 61.03 O ATOM 488 CB LYS A 71 9.947 3.725 2.287 1.00 65.43 C ATOM 489 CG LYS A 71 10.722 4.444 1.196 1.00 43.12 C ATOM 490 CD LYS A 71 10.700 5.949 1.396 1.00 2.52 C ATOM 491 CE LYS A 71 11.098 6.687 0.126 1.00 33.04 C ATOM 492 NZ LYS A 71 9.920 6.977 -0.739 1.00 2.14 N ATOM 0 H LYS A 71 8.558 2.257 0.782 1.00 74.34 H new ATOM 0 HA LYS A 71 11.125 1.934 2.106 1.00 10.00 H new ATOM 0 HB2 LYS A 71 8.894 3.996 2.212 1.00 65.43 H new ATOM 0 HB3 LYS A 71 10.297 4.073 3.259 1.00 65.43 H new ATOM 0 HG2 LYS A 71 11.754 4.092 1.189 1.00 43.12 H new ATOM 0 HG3 LYS A 71 10.295 4.199 0.223 1.00 43.12 H new ATOM 0 HD2 LYS A 71 9.702 6.262 1.702 1.00 2.52 H new ATOM 0 HD3 LYS A 71 11.380 6.220 2.204 1.00 2.52 H new ATOM 0 HE2 LYS A 71 11.594 7.621 0.389 1.00 33.04 H new ATOM 0 HE3 LYS A 71 11.819 6.089 -0.431 1.00 33.04 H new ATOM 0 HZ1 LYS A 71 10.232 7.480 -1.594 1.00 2.14 H new ATOM 0 HZ2 LYS A 71 9.461 6.084 -1.011 1.00 2.14 H new ATOM 0 HZ3 LYS A 71 9.243 7.569 -0.217 1.00 2.14 H new ATOM 506 N LEU A 72 8.285 1.243 3.552 1.00 73.31 N ATOM 507 CA LEU A 72 7.676 0.643 4.735 1.00 30.02 C ATOM 508 C LEU A 72 7.878 -0.869 4.743 1.00 35.44 C ATOM 509 O LEU A 72 8.452 -1.424 5.679 1.00 2.52 O ATOM 510 CB LEU A 72 6.182 0.971 4.786 1.00 24.11 C ATOM 511 CG LEU A 72 5.802 2.254 5.526 1.00 33.12 C ATOM 512 CD1 LEU A 72 6.610 3.432 5.003 1.00 31.34 C ATOM 513 CD2 LEU A 72 4.311 2.525 5.390 1.00 61.14 C ATOM 0 H LEU A 72 7.646 1.369 2.767 1.00 73.31 H new ATOM 0 HA LEU A 72 8.163 1.061 5.616 1.00 30.02 H new ATOM 0 HB2 LEU A 72 5.811 1.041 3.764 1.00 24.11 H new ATOM 0 HB3 LEU A 72 5.663 0.136 5.257 1.00 24.11 H new ATOM 0 HG LEU A 72 6.033 2.123 6.583 1.00 33.12 H new ATOM 0 HD11 LEU A 72 6.326 4.336 5.542 1.00 31.34 H new ATOM 0 HD12 LEU A 72 7.672 3.240 5.153 1.00 31.34 H new ATOM 0 HD13 LEU A 72 6.412 3.566 3.940 1.00 31.34 H new ATOM 0 HD21 LEU A 72 4.058 3.442 5.923 1.00 61.14 H new ATOM 0 HD22 LEU A 72 4.056 2.635 4.336 1.00 61.14 H new ATOM 0 HD23 LEU A 72 3.750 1.692 5.814 1.00 61.14 H new ATOM 525 N GLY A 73 7.401 -1.530 3.693 1.00 34.22 N ATOM 526 CA GLY A 73 7.539 -2.972 3.599 1.00 20.53 C ATOM 527 C GLY A 73 6.301 -3.706 4.074 1.00 32.40 C ATOM 528 O GLY A 73 5.177 -3.300 3.778 1.00 62.24 O ATOM 0 H GLY A 73 6.922 -1.093 2.906 1.00 34.22 H new ATOM 0 HA2 GLY A 73 7.746 -3.247 2.565 1.00 20.53 H new ATOM 0 HA3 GLY A 73 8.396 -3.291 4.192 1.00 20.53 H new ATOM 532 N VAL A 74 6.505 -4.793 4.813 1.00 42.41 N ATOM 533 CA VAL A 74 5.396 -5.585 5.329 1.00 22.45 C ATOM 534 C VAL A 74 5.074 -5.206 6.771 1.00 52.13 C ATOM 535 O VAL A 74 3.967 -5.448 7.253 1.00 44.13 O ATOM 536 CB VAL A 74 5.707 -7.093 5.265 1.00 53.15 C ATOM 537 CG1 VAL A 74 4.491 -7.906 5.684 1.00 22.12 C ATOM 538 CG2 VAL A 74 6.162 -7.482 3.866 1.00 61.33 C ATOM 0 H VAL A 74 7.428 -5.144 5.067 1.00 42.41 H new ATOM 0 HA VAL A 74 4.533 -5.371 4.698 1.00 22.45 H new ATOM 0 HB VAL A 74 6.517 -7.311 5.961 1.00 53.15 H new ATOM 0 HG11 VAL A 74 4.729 -8.969 5.633 1.00 22.12 H new ATOM 0 HG12 VAL A 74 4.213 -7.645 6.705 1.00 22.12 H new ATOM 0 HG13 VAL A 74 3.659 -7.688 5.015 1.00 22.12 H new ATOM 0 HG21 VAL A 74 6.378 -8.550 3.837 1.00 61.33 H new ATOM 0 HG22 VAL A 74 5.373 -7.252 3.150 1.00 61.33 H new ATOM 0 HG23 VAL A 74 7.061 -6.923 3.607 1.00 61.33 H new ATOM 548 N GLN A 75 6.047 -4.611 7.452 1.00 54.12 N ATOM 549 CA GLN A 75 5.866 -4.197 8.839 1.00 32.40 C ATOM 550 C GLN A 75 4.834 -3.080 8.943 1.00 34.43 C ATOM 551 O GLN A 75 4.270 -2.840 10.011 1.00 3.22 O ATOM 552 CB GLN A 75 7.197 -3.736 9.433 1.00 31.13 C ATOM 553 CG GLN A 75 8.219 -4.852 9.577 1.00 50.13 C ATOM 554 CD GLN A 75 7.789 -5.914 10.568 1.00 32.23 C ATOM 555 OE1 GLN A 75 7.032 -6.825 10.230 1.00 21.43 O ATOM 556 NE2 GLN A 75 8.269 -5.803 11.802 1.00 73.14 N ATOM 0 H GLN A 75 6.969 -4.405 7.067 1.00 54.12 H new ATOM 0 HA GLN A 75 5.503 -5.055 9.404 1.00 32.40 H new ATOM 0 HB2 GLN A 75 7.615 -2.952 8.802 1.00 31.13 H new ATOM 0 HB3 GLN A 75 7.014 -3.294 10.412 1.00 31.13 H new ATOM 0 HG2 GLN A 75 8.385 -5.315 8.604 1.00 50.13 H new ATOM 0 HG3 GLN A 75 9.171 -4.428 9.895 1.00 50.13 H new ATOM 0 HE21 GLN A 75 8.894 -5.032 12.039 1.00 73.14 H new ATOM 0 HE22 GLN A 75 8.013 -6.489 12.512 1.00 73.14 H new ATOM 565 N ALA A 76 4.590 -2.399 7.828 1.00 34.33 N ATOM 566 CA ALA A 76 3.624 -1.308 7.795 1.00 44.24 C ATOM 567 C ALA A 76 2.283 -1.744 8.375 1.00 72.22 C ATOM 568 O ALA A 76 2.058 -2.929 8.621 1.00 53.10 O ATOM 569 CB ALA A 76 3.446 -0.804 6.370 1.00 62.13 C ATOM 0 H ALA A 76 5.048 -2.584 6.936 1.00 34.33 H new ATOM 0 HA ALA A 76 4.009 -0.496 8.411 1.00 44.24 H new ATOM 0 HB1 ALA A 76 2.722 0.011 6.360 1.00 62.13 H new ATOM 0 HB2 ALA A 76 4.402 -0.445 5.989 1.00 62.13 H new ATOM 0 HB3 ALA A 76 3.087 -1.617 5.739 1.00 62.13 H new ATOM 575 N ASP A 77 1.396 -0.779 8.591 1.00 71.42 N ATOM 576 CA ASP A 77 0.076 -1.064 9.141 1.00 22.04 C ATOM 577 C ASP A 77 -1.014 -0.381 8.322 1.00 41.50 C ATOM 578 O ASP A 77 -0.754 0.149 7.240 1.00 32.23 O ATOM 579 CB ASP A 77 -0.002 -0.605 10.599 1.00 61.41 C ATOM 580 CG ASP A 77 1.322 -0.755 11.324 1.00 11.23 C ATOM 581 OD1 ASP A 77 1.909 -1.855 11.266 1.00 62.43 O ATOM 582 OD2 ASP A 77 1.770 0.229 11.949 1.00 72.25 O ATOM 0 H ASP A 77 1.567 0.207 8.394 1.00 71.42 H new ATOM 0 HA ASP A 77 -0.083 -2.141 9.097 1.00 22.04 H new ATOM 0 HB2 ASP A 77 -0.315 0.439 10.632 1.00 61.41 H new ATOM 0 HB3 ASP A 77 -0.765 -1.184 11.119 1.00 61.41 H new ATOM 588 N THR A 78 -2.237 -0.394 8.843 1.00 35.52 N ATOM 589 CA THR A 78 -3.367 0.222 8.159 1.00 23.43 C ATOM 590 C THR A 78 -3.367 1.734 8.350 1.00 12.04 C ATOM 591 O THR A 78 -3.902 2.472 7.525 1.00 44.24 O ATOM 592 CB THR A 78 -4.707 -0.348 8.664 1.00 65.24 C ATOM 593 OG1 THR A 78 -4.647 -1.778 8.705 1.00 24.53 O ATOM 594 CG2 THR A 78 -5.853 0.090 7.764 1.00 24.15 C ATOM 0 H THR A 78 -2.470 -0.825 9.738 1.00 35.52 H new ATOM 0 HA THR A 78 -3.259 -0.007 7.099 1.00 23.43 H new ATOM 0 HB THR A 78 -4.885 0.037 9.668 1.00 65.24 H new ATOM 0 HG1 THR A 78 -5.502 -2.132 9.029 1.00 24.53 H new ATOM 0 HG21 THR A 78 -6.789 -0.324 8.139 1.00 24.15 H new ATOM 0 HG22 THR A 78 -5.914 1.178 7.757 1.00 24.15 H new ATOM 0 HG23 THR A 78 -5.678 -0.270 6.750 1.00 24.15 H new ATOM 602 N ASN A 79 -2.763 2.187 9.444 1.00 43.54 N ATOM 603 CA ASN A 79 -2.693 3.613 9.742 1.00 40.20 C ATOM 604 C ASN A 79 -1.443 4.237 9.130 1.00 4.53 C ATOM 605 O ASN A 79 -1.459 5.388 8.691 1.00 30.43 O ATOM 606 CB ASN A 79 -2.702 3.840 11.255 1.00 4.44 C ATOM 607 CG ASN A 79 -1.342 3.600 11.883 1.00 62.31 C ATOM 608 OD1 ASN A 79 -0.948 2.458 12.120 1.00 61.45 O ATOM 609 ND2 ASN A 79 -0.618 4.679 12.157 1.00 73.21 N ATOM 0 H ASN A 79 -2.316 1.588 10.138 1.00 43.54 H new ATOM 0 HA ASN A 79 -3.568 4.093 9.304 1.00 40.20 H new ATOM 0 HB2 ASN A 79 -3.021 4.861 11.465 1.00 4.44 H new ATOM 0 HB3 ASN A 79 -3.434 3.176 11.715 1.00 4.44 H new ATOM 0 HD21 ASN A 79 0.304 4.580 12.581 1.00 73.21 H new ATOM 0 HD22 ASN A 79 -0.984 5.607 11.943 1.00 73.21 H new ATOM 616 N THR A 80 -0.358 3.469 9.103 1.00 21.02 N ATOM 617 CA THR A 80 0.902 3.945 8.546 1.00 35.00 C ATOM 618 C THR A 80 0.744 4.331 7.080 1.00 12.50 C ATOM 619 O THR A 80 1.106 5.436 6.676 1.00 41.34 O ATOM 620 CB THR A 80 2.008 2.880 8.668 1.00 11.20 C ATOM 621 OG1 THR A 80 1.898 2.202 9.923 1.00 22.22 O ATOM 622 CG2 THR A 80 3.385 3.515 8.547 1.00 24.32 C ATOM 0 H THR A 80 -0.327 2.514 9.461 1.00 21.02 H new ATOM 0 HA THR A 80 1.190 4.825 9.122 1.00 35.00 H new ATOM 0 HB THR A 80 1.883 2.163 7.857 1.00 11.20 H new ATOM 0 HG1 THR A 80 2.604 1.525 9.992 1.00 22.22 H new ATOM 0 HG21 THR A 80 4.150 2.744 8.636 1.00 24.32 H new ATOM 0 HG22 THR A 80 3.475 4.006 7.578 1.00 24.32 H new ATOM 0 HG23 THR A 80 3.517 4.251 9.340 1.00 24.32 H new ATOM 630 N VAL A 81 0.198 3.415 6.286 1.00 3.14 N ATOM 631 CA VAL A 81 -0.009 3.661 4.865 1.00 73.20 C ATOM 632 C VAL A 81 -0.752 4.972 4.636 1.00 13.33 C ATOM 633 O VAL A 81 -0.258 5.868 3.952 1.00 41.14 O ATOM 634 CB VAL A 81 -0.801 2.515 4.207 1.00 62.44 C ATOM 635 CG1 VAL A 81 -0.945 2.754 2.711 1.00 31.04 C ATOM 636 CG2 VAL A 81 -0.126 1.178 4.478 1.00 54.45 C ATOM 0 H VAL A 81 -0.109 2.496 6.604 1.00 3.14 H new ATOM 0 HA VAL A 81 0.979 3.721 4.408 1.00 73.20 H new ATOM 0 HB VAL A 81 -1.799 2.489 4.644 1.00 62.44 H new ATOM 0 HG11 VAL A 81 -1.507 1.934 2.264 1.00 31.04 H new ATOM 0 HG12 VAL A 81 -1.474 3.692 2.542 1.00 31.04 H new ATOM 0 HG13 VAL A 81 0.043 2.808 2.254 1.00 31.04 H new ATOM 0 HG21 VAL A 81 -0.698 0.379 4.006 1.00 54.45 H new ATOM 0 HG22 VAL A 81 0.884 1.191 4.069 1.00 54.45 H new ATOM 0 HG23 VAL A 81 -0.080 1.005 5.553 1.00 54.45 H new ATOM 646 N LEU A 82 -1.944 5.079 5.216 1.00 64.13 N ATOM 647 CA LEU A 82 -2.757 6.283 5.077 1.00 63.20 C ATOM 648 C LEU A 82 -1.957 7.526 5.452 1.00 11.20 C ATOM 649 O LEU A 82 -1.921 8.503 4.705 1.00 74.13 O ATOM 650 CB LEU A 82 -4.006 6.182 5.953 1.00 32.11 C ATOM 651 CG LEU A 82 -4.927 4.994 5.675 1.00 72.34 C ATOM 652 CD1 LEU A 82 -5.731 4.638 6.916 1.00 22.11 C ATOM 653 CD2 LEU A 82 -5.854 5.300 4.506 1.00 2.53 C ATOM 0 H LEU A 82 -2.368 4.347 5.786 1.00 64.13 H new ATOM 0 HA LEU A 82 -3.059 6.370 4.033 1.00 63.20 H new ATOM 0 HB2 LEU A 82 -3.691 6.136 6.996 1.00 32.11 H new ATOM 0 HB3 LEU A 82 -4.583 7.099 5.835 1.00 32.11 H new ATOM 0 HG LEU A 82 -4.310 4.136 5.409 1.00 72.34 H new ATOM 0 HD11 LEU A 82 -6.380 3.790 6.698 1.00 22.11 H new ATOM 0 HD12 LEU A 82 -5.051 4.375 7.727 1.00 22.11 H new ATOM 0 HD13 LEU A 82 -6.338 5.493 7.214 1.00 22.11 H new ATOM 0 HD21 LEU A 82 -6.503 4.443 4.322 1.00 2.53 H new ATOM 0 HD22 LEU A 82 -6.463 6.172 4.743 1.00 2.53 H new ATOM 0 HD23 LEU A 82 -5.261 5.504 3.615 1.00 2.53 H new ATOM 665 N GLY A 83 -1.314 7.482 6.615 1.00 31.30 N ATOM 666 CA GLY A 83 -0.522 8.609 7.069 1.00 2.43 C ATOM 667 C GLY A 83 0.484 9.066 6.031 1.00 23.51 C ATOM 668 O GLY A 83 0.618 10.261 5.772 1.00 61.11 O ATOM 0 H GLY A 83 -1.328 6.685 7.251 1.00 31.30 H new ATOM 0 HA2 GLY A 83 -1.185 9.438 7.318 1.00 2.43 H new ATOM 0 HA3 GLY A 83 0.003 8.335 7.984 1.00 2.43 H new ATOM 672 N GLU A 84 1.195 8.111 5.439 1.00 52.23 N ATOM 673 CA GLU A 84 2.196 8.423 4.426 1.00 50.14 C ATOM 674 C GLU A 84 1.606 9.308 3.331 1.00 11.23 C ATOM 675 O GLU A 84 2.251 10.245 2.858 1.00 24.44 O ATOM 676 CB GLU A 84 2.751 7.135 3.812 1.00 40.33 C ATOM 677 CG GLU A 84 3.596 6.318 4.773 1.00 72.10 C ATOM 678 CD GLU A 84 4.939 6.959 5.061 1.00 44.32 C ATOM 679 OE1 GLU A 84 5.529 7.543 4.128 1.00 72.12 O ATOM 680 OE2 GLU A 84 5.400 6.878 6.219 1.00 42.15 O ATOM 0 H GLU A 84 1.096 7.117 5.643 1.00 52.23 H new ATOM 0 HA GLU A 84 3.008 8.966 4.910 1.00 50.14 H new ATOM 0 HB2 GLU A 84 1.920 6.523 3.461 1.00 40.33 H new ATOM 0 HB3 GLU A 84 3.352 7.388 2.938 1.00 40.33 H new ATOM 0 HG2 GLU A 84 3.052 6.188 5.709 1.00 72.10 H new ATOM 0 HG3 GLU A 84 3.755 5.324 4.356 1.00 72.10 H new ATOM 688 N LEU A 85 0.375 9.004 2.933 1.00 63.22 N ATOM 689 CA LEU A 85 -0.303 9.771 1.894 1.00 50.15 C ATOM 690 C LEU A 85 -0.874 11.068 2.459 1.00 74.41 C ATOM 691 O LEU A 85 -0.985 12.069 1.753 1.00 73.03 O ATOM 692 CB LEU A 85 -1.422 8.938 1.265 1.00 2.15 C ATOM 693 CG LEU A 85 -1.066 7.492 0.916 1.00 33.41 C ATOM 694 CD1 LEU A 85 -2.327 6.676 0.674 1.00 0.22 C ATOM 695 CD2 LEU A 85 -0.157 7.446 -0.303 1.00 40.23 C ATOM 0 H LEU A 85 -0.173 8.233 3.314 1.00 63.22 H new ATOM 0 HA LEU A 85 0.429 10.022 1.127 1.00 50.15 H new ATOM 0 HB2 LEU A 85 -2.269 8.927 1.951 1.00 2.15 H new ATOM 0 HB3 LEU A 85 -1.754 9.439 0.356 1.00 2.15 H new ATOM 0 HG LEU A 85 -0.531 7.056 1.760 1.00 33.41 H new ATOM 0 HD11 LEU A 85 -2.055 5.650 0.427 1.00 0.22 H new ATOM 0 HD12 LEU A 85 -2.942 6.681 1.574 1.00 0.22 H new ATOM 0 HD13 LEU A 85 -2.889 7.111 -0.152 1.00 0.22 H new ATOM 0 HD21 LEU A 85 0.086 6.409 -0.537 1.00 40.23 H new ATOM 0 HD22 LEU A 85 -0.666 7.900 -1.153 1.00 40.23 H new ATOM 0 HD23 LEU A 85 0.761 7.995 -0.093 1.00 40.23 H new ATOM 707 N VAL A 86 -1.235 11.040 3.738 1.00 13.52 N ATOM 708 CA VAL A 86 -1.792 12.214 4.400 1.00 10.25 C ATOM 709 C VAL A 86 -0.750 13.319 4.529 1.00 4.30 C ATOM 710 O VAL A 86 -1.050 14.497 4.332 1.00 0.14 O ATOM 711 CB VAL A 86 -2.331 11.866 5.801 1.00 41.41 C ATOM 712 CG1 VAL A 86 -2.875 13.109 6.487 1.00 14.03 C ATOM 713 CG2 VAL A 86 -3.398 10.787 5.707 1.00 2.30 C ATOM 0 H VAL A 86 -1.152 10.218 4.336 1.00 13.52 H new ATOM 0 HA VAL A 86 -2.616 12.566 3.779 1.00 10.25 H new ATOM 0 HB VAL A 86 -1.509 11.479 6.403 1.00 41.41 H new ATOM 0 HG11 VAL A 86 -3.251 12.844 7.475 1.00 14.03 H new ATOM 0 HG12 VAL A 86 -2.079 13.847 6.588 1.00 14.03 H new ATOM 0 HG13 VAL A 86 -3.685 13.529 5.891 1.00 14.03 H new ATOM 0 HG21 VAL A 86 -3.768 10.553 6.705 1.00 2.30 H new ATOM 0 HG22 VAL A 86 -4.222 11.143 5.089 1.00 2.30 H new ATOM 0 HG23 VAL A 86 -2.970 9.890 5.259 1.00 2.30 H new ATOM 723 N LYS A 87 0.478 12.932 4.859 1.00 12.22 N ATOM 724 CA LYS A 87 1.568 13.888 5.013 1.00 52.14 C ATOM 725 C LYS A 87 2.342 14.045 3.708 1.00 42.21 C ATOM 726 O LYS A 87 2.525 15.158 3.212 1.00 32.03 O ATOM 727 CB LYS A 87 2.513 13.440 6.128 1.00 22.14 C ATOM 728 CG LYS A 87 2.051 13.848 7.517 1.00 5.24 C ATOM 729 CD LYS A 87 3.119 14.645 8.248 1.00 62.11 C ATOM 730 CE LYS A 87 2.839 16.138 8.189 1.00 54.52 C ATOM 731 NZ LYS A 87 3.499 16.781 7.019 1.00 63.21 N ATOM 0 H LYS A 87 0.743 11.961 5.025 1.00 12.22 H new ATOM 0 HA LYS A 87 1.137 14.853 5.278 1.00 52.14 H new ATOM 0 HB2 LYS A 87 2.615 12.355 6.092 1.00 22.14 H new ATOM 0 HB3 LYS A 87 3.502 13.860 5.945 1.00 22.14 H new ATOM 0 HG2 LYS A 87 1.141 14.443 7.439 1.00 5.24 H new ATOM 0 HG3 LYS A 87 1.801 12.958 8.094 1.00 5.24 H new ATOM 0 HD2 LYS A 87 3.166 14.324 9.288 1.00 62.11 H new ATOM 0 HD3 LYS A 87 4.094 14.439 7.806 1.00 62.11 H new ATOM 0 HE2 LYS A 87 1.763 16.304 8.135 1.00 54.52 H new ATOM 0 HE3 LYS A 87 3.189 16.610 9.107 1.00 54.52 H new ATOM 0 HZ1 LYS A 87 3.284 17.798 7.015 1.00 63.21 H new ATOM 0 HZ2 LYS A 87 4.528 16.645 7.083 1.00 63.21 H new ATOM 0 HZ3 LYS A 87 3.147 16.349 6.141 1.00 63.21 H new ATOM 745 N HIS A 88 2.793 12.924 3.155 1.00 44.24 N ATOM 746 CA HIS A 88 3.546 12.937 1.906 1.00 25.12 C ATOM 747 C HIS A 88 2.648 12.579 0.726 1.00 4.02 C ATOM 748 O HIS A 88 2.854 11.566 0.061 1.00 64.44 O ATOM 749 CB HIS A 88 4.720 11.959 1.983 1.00 53.53 C ATOM 750 CG HIS A 88 5.821 12.415 2.890 1.00 5.35 C ATOM 751 ND1 HIS A 88 7.060 11.813 2.931 1.00 1.13 N ATOM 752 CD2 HIS A 88 5.865 13.424 3.792 1.00 31.41 C ATOM 753 CE1 HIS A 88 7.818 12.429 3.821 1.00 12.25 C ATOM 754 NE2 HIS A 88 7.116 13.411 4.357 1.00 53.41 N ATOM 0 H HIS A 88 2.650 11.995 3.552 1.00 44.24 H new ATOM 0 HA HIS A 88 3.932 13.945 1.754 1.00 25.12 H new ATOM 0 HB2 HIS A 88 4.354 10.992 2.327 1.00 53.53 H new ATOM 0 HB3 HIS A 88 5.124 11.809 0.982 1.00 53.53 H new ATOM 0 HD2 HIS A 88 5.065 14.111 4.024 1.00 31.41 H new ATOM 0 HE1 HIS A 88 8.838 12.173 4.068 1.00 12.25 H new ATOM 0 HE2 HIS A 88 7.449 14.055 5.074 1.00 53.41 H new ATOM 763 N GLY A 89 1.649 13.420 0.472 1.00 4.25 N ATOM 764 CA GLY A 89 0.734 13.175 -0.627 1.00 21.41 C ATOM 765 C GLY A 89 0.996 14.080 -1.813 1.00 4.43 C ATOM 766 O GLY A 89 0.844 15.299 -1.718 1.00 73.42 O ATOM 0 H GLY A 89 1.458 14.266 1.008 1.00 4.25 H new ATOM 0 HA2 GLY A 89 0.820 12.135 -0.942 1.00 21.41 H new ATOM 0 HA3 GLY A 89 -0.290 13.320 -0.282 1.00 21.41 H new TER 770 GLY A 89